smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]N1CCCCC1=O)c1cc(F)c(F)cc1I ZINC000151997876 531526345 /nfs/dbraw/zinc/52/63/45/531526345.db2.gz DPNORLALVOXOSA-UHFFFAOYSA-N -1 1 380.132 2.227 20 0 GEADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000007051314 531537269 /nfs/dbraw/zinc/53/72/69/531537269.db2.gz XIUJZLVVVARRTB-UHFFFAOYSA-N -1 1 384.479 2.096 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)co1 ZINC000152441321 531549956 /nfs/dbraw/zinc/54/99/56/531549956.db2.gz HZEDBJTZYSFJNI-GFCCVEGCSA-N -1 1 380.319 2.360 20 0 GEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000018994596 531577085 /nfs/dbraw/zinc/57/70/85/531577085.db2.gz XDBJQDNTSDBVRZ-UHFFFAOYSA-N -1 1 380.369 2.154 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(Br)c3)CC2)co1 ZINC000153052945 531585550 /nfs/dbraw/zinc/58/55/50/531585550.db2.gz MBFFVKHODJEFAJ-UHFFFAOYSA-N -1 1 399.266 2.369 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)c(F)c1 ZINC000155081798 531655192 /nfs/dbraw/zinc/65/51/92/531655192.db2.gz UVHBCGHFJIPMRL-CYBMUJFWSA-N -1 1 389.836 2.022 20 0 GEADMM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000036182474 531659584 /nfs/dbraw/zinc/65/95/84/531659584.db2.gz MSSVYPAGUFJETL-UHFFFAOYSA-N -1 1 377.390 2.178 20 0 GEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1cccc(Br)c1 ZINC000044895109 531687422 /nfs/dbraw/zinc/68/74/22/531687422.db2.gz SWHPZBQRNZQYGU-UHFFFAOYSA-N -1 1 380.227 2.226 20 0 GEADMM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157607211 531748462 /nfs/dbraw/zinc/74/84/62/531748462.db2.gz LFRSLYUFFVDRKI-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)cc1Cl ZINC000052025715 531748858 /nfs/dbraw/zinc/74/88/58/531748858.db2.gz IECPSLKXILSASG-UHFFFAOYSA-N -1 1 382.869 2.100 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)ccc1OC(C)C ZINC000055548427 531793212 /nfs/dbraw/zinc/79/32/12/531793212.db2.gz NNTZIWHKPQULFS-UHFFFAOYSA-N -1 1 384.479 2.230 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(N3CCCS3(=O)=O)c2)c1 ZINC000068226716 531901499 /nfs/dbraw/zinc/90/14/99/531901499.db2.gz JVJFGVOPMIFKAR-UHFFFAOYSA-N -1 1 384.454 2.475 20 0 GEADMM CN(CC1CCOCC1)C(=O)c1cc(I)ccc1[O-] ZINC000120861025 531997639 /nfs/dbraw/zinc/99/76/39/531997639.db2.gz NXXPLMTVMGIIJE-UHFFFAOYSA-N -1 1 375.206 2.495 20 0 GEADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121173265 532016735 /nfs/dbraw/zinc/01/67/35/532016735.db2.gz CNSFSQBFBJYMFQ-UHFFFAOYSA-N -1 1 386.470 2.404 20 0 GEADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2sccc2Br)C[C@H](C)O1 ZINC000121180888 532016937 /nfs/dbraw/zinc/01/69/37/532016937.db2.gz XFKQXLOWHZDEBU-PHIMTYICSA-N -1 1 397.360 2.288 20 0 GEADMM CN1C(=O)C[C@H](C(=O)Nc2nc(Br)ccc2[O-])[C@H]1c1cccnc1 ZINC000121554251 532033621 /nfs/dbraw/zinc/03/36/21/532033621.db2.gz KJDBYGSILNHNHJ-IINYFYTJSA-N -1 1 391.225 2.103 20 0 GEADMM CCc1ccccc1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000121717679 532043434 /nfs/dbraw/zinc/04/34/34/532043434.db2.gz NAEXFTBLXSHRJF-UHFFFAOYSA-N -1 1 386.470 2.238 20 0 GEADMM C[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])N1CCN(C)CC1 ZINC000174340277 532061218 /nfs/dbraw/zinc/06/12/18/532061218.db2.gz WZOSDLQDWLSSQD-JTQLQIEISA-N -1 1 390.709 2.174 20 0 GEADMM CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000122281799 532064126 /nfs/dbraw/zinc/06/41/26/532064126.db2.gz UHSCUOKXPZRSJN-NEPJUHHUSA-N -1 1 378.491 2.444 20 0 GEADMM CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000122282069 532064165 /nfs/dbraw/zinc/06/41/65/532064165.db2.gz UHSCUOKXPZRSJN-RYUDHWBXSA-N -1 1 378.491 2.444 20 0 GEADMM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1ccc(Br)cc1 ZINC000122933082 532087224 /nfs/dbraw/zinc/08/72/24/532087224.db2.gz FEFNRCDMOOPJJH-UHFFFAOYSA-N -1 1 394.254 2.354 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000175119278 532090077 /nfs/dbraw/zinc/09/00/77/532090077.db2.gz YQWVBVJRRKTLKF-UHFFFAOYSA-N -1 1 378.885 2.416 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1C(F)(F)F ZINC000125533822 532136649 /nfs/dbraw/zinc/13/66/49/532136649.db2.gz WURFIGIJXRSIFB-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000176669582 532144871 /nfs/dbraw/zinc/14/48/71/532144871.db2.gz UHYICEBANPOZCU-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2Br)co1 ZINC000126075349 532145420 /nfs/dbraw/zinc/14/54/20/532145420.db2.gz AIOXLFAEMYGTDB-UHFFFAOYSA-N -1 1 389.227 2.211 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129275616 532176567 /nfs/dbraw/zinc/17/65/67/532176567.db2.gz XCPSSHPOTBPFPH-GHMZBOCLSA-N -1 1 380.246 2.136 20 0 GEADMM CC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)OCCO1 ZINC000179520781 532233982 /nfs/dbraw/zinc/23/39/82/532233982.db2.gz HPDUHQDRMIBXBV-UHFFFAOYSA-N -1 1 388.642 2.283 20 0 GEADMM O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(Br)c([O-])c1 ZINC000179537804 532235056 /nfs/dbraw/zinc/23/50/56/532235056.db2.gz PDDGXERMYZNXBP-LBPRGKRZSA-N -1 1 377.242 2.344 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)C[C@H]2CCOC2)c2ccc(Cl)c(F)c2)no1 ZINC000132757846 532220432 /nfs/dbraw/zinc/22/04/32/532220432.db2.gz GNLJJWTXHLUQQX-IINYFYTJSA-N -1 1 389.836 2.216 20 0 GEADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000135235742 532269209 /nfs/dbraw/zinc/26/92/09/532269209.db2.gz NIZNEKFLPPDOMP-UHFFFAOYSA-N -1 1 398.282 2.324 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)n1 ZINC000136521744 532285861 /nfs/dbraw/zinc/28/58/61/532285861.db2.gz XZMZGAGYRYEWHS-UHFFFAOYSA-N -1 1 377.813 2.176 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)[n-]1 ZINC000136521744 532285864 /nfs/dbraw/zinc/28/58/64/532285864.db2.gz XZMZGAGYRYEWHS-UHFFFAOYSA-N -1 1 377.813 2.176 20 0 GEADMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])ccc1Br ZINC000181028256 532288876 /nfs/dbraw/zinc/28/88/76/532288876.db2.gz HYXPMXGHCRHUJC-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc21 ZINC000181163681 532292422 /nfs/dbraw/zinc/29/24/22/532292422.db2.gz HFTVGXWFEYFNCX-UHFFFAOYSA-N -1 1 384.454 2.022 20 0 GEADMM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000181398751 532298194 /nfs/dbraw/zinc/29/81/94/532298194.db2.gz JLQJMXJEPSZGFN-LHLIQPBNSA-N -1 1 390.271 2.118 20 0 GEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 ZINC000147414351 532298911 /nfs/dbraw/zinc/29/89/11/532298911.db2.gz KJDNDLNOIQDTAM-UHFFFAOYSA-N -1 1 381.841 2.371 20 0 GEADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cccn(C)c1=O ZINC000183058370 532321296 /nfs/dbraw/zinc/32/12/96/532321296.db2.gz RCGBGFUYHCQONU-UHFFFAOYSA-N -1 1 391.218 2.096 20 0 GEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000185052992 532336748 /nfs/dbraw/zinc/33/67/48/532336748.db2.gz NHAZCCVLRSUHSY-UHFFFAOYSA-N -1 1 386.470 2.338 20 0 GEADMM CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000186879709 532342326 /nfs/dbraw/zinc/34/23/26/532342326.db2.gz MOUJIQDWTWJROU-UHFFFAOYSA-N -1 1 390.086 2.170 20 0 GEADMM CC1CCN(CCNS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000184916580 532335872 /nfs/dbraw/zinc/33/58/72/532335872.db2.gz BCSKNXNZUDYQJN-UHFFFAOYSA-N -1 1 378.853 2.188 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)N1CCC[C@H](C)C1 ZINC000184915158 532335934 /nfs/dbraw/zinc/33/59/34/532335934.db2.gz KBIGKXYNJFAPLQ-QWRGUYRKSA-N -1 1 376.425 2.062 20 0 GEADMM O=S(=O)([N-][C@@H]1CCC[C@H]1CCO)c1cc(Br)cnc1Cl ZINC000188933204 532350371 /nfs/dbraw/zinc/35/03/71/532350371.db2.gz YZBYPXPVNMGLNB-WCBMZHEXSA-N -1 1 383.695 2.327 20 0 GEADMM O=c1[n-]nnn1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000189511402 532352467 /nfs/dbraw/zinc/35/24/67/532352467.db2.gz GDPUHPNWXZBYEH-UHFFFAOYSA-N -1 1 386.220 2.063 20 0 GEADMM C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000189724112 532353365 /nfs/dbraw/zinc/35/33/65/532353365.db2.gz XOUMJVKKJGUNDB-GXSJLCMTSA-N -1 1 375.206 2.372 20 0 GEADMM C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000189724132 532353490 /nfs/dbraw/zinc/35/34/90/532353490.db2.gz XOUMJVKKJGUNDB-MWLCHTKSSA-N -1 1 375.206 2.372 20 0 GEADMM O=C([O-])C[C@@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCO1 ZINC000191008841 532359160 /nfs/dbraw/zinc/35/91/60/532359160.db2.gz MUUBJAKPCVQARE-LLVKDONJSA-N -1 1 394.225 2.155 20 0 GEADMM CCn1cc(CN(C)C(=O)c2cc(I)ccc2[O-])cn1 ZINC000557780972 532372719 /nfs/dbraw/zinc/37/27/19/532372719.db2.gz CJHAENYRERAPDY-UHFFFAOYSA-N -1 1 385.205 2.485 20 0 GEADMM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000425218205 532374193 /nfs/dbraw/zinc/37/41/93/532374193.db2.gz CXLVJQRSPLOUIR-VIFPVBQESA-N -1 1 385.656 2.073 20 0 GEADMM NC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000621970809 532375170 /nfs/dbraw/zinc/37/51/70/532375170.db2.gz QZDOHZMMXFUADT-NTSWFWBYSA-N -1 1 392.047 2.367 20 0 GEADMM O=c1nc(C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)[nH][n-]1 ZINC000294487793 532363073 /nfs/dbraw/zinc/36/30/73/532363073.db2.gz HQCFYKKCMKYUJR-UHFFFAOYSA-N -1 1 391.280 2.114 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@H]2CCCOC2)c2ccc(Cl)c(F)c2)no1 ZINC000371982933 532364804 /nfs/dbraw/zinc/36/48/04/532364804.db2.gz DLNHGPSMOUTJAB-SMDDNHRTSA-N -1 1 389.836 2.358 20 0 GEADMM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647122988 532366399 /nfs/dbraw/zinc/36/63/99/532366399.db2.gz KEKAMMOCQQWSDQ-INIZCTEOSA-N -1 1 392.543 2.178 20 0 GEADMM COCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647127126 532368649 /nfs/dbraw/zinc/36/86/49/532368649.db2.gz WFNUIRMEPIXPEP-HNNXBMFYSA-N -1 1 392.905 2.129 20 0 GEADMM Cc1nc(CN2CCC[C@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)C2)no1 ZINC000372058409 532370486 /nfs/dbraw/zinc/37/04/86/532370486.db2.gz QJQKHUWHPVULMK-NSHDSACASA-N -1 1 388.852 2.113 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)o1 ZINC000622891318 532382655 /nfs/dbraw/zinc/38/26/55/532382655.db2.gz SCSMPQCJOHXUFS-UHFFFAOYSA-N -1 1 380.813 2.484 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)c(OC)c1 ZINC000677750363 532383251 /nfs/dbraw/zinc/38/32/51/532383251.db2.gz IFNBCLPMIYNADH-LBPRGKRZSA-N -1 1 390.527 2.314 20 0 GEADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000590866395 532390516 /nfs/dbraw/zinc/39/05/16/532390516.db2.gz DYTDKFHEOFCQDI-KOLCDFICSA-N -1 1 389.189 2.068 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)[C@@H]1CCCOC1 ZINC000464208624 532393107 /nfs/dbraw/zinc/39/31/07/532393107.db2.gz DCIVKDHGJXNWPF-ZWNOBZJWSA-N -1 1 379.837 2.116 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCc1cscn1 ZINC000558526944 532393794 /nfs/dbraw/zinc/39/37/94/532393794.db2.gz XWQOPGMQWICNNW-UHFFFAOYSA-N -1 1 394.305 2.087 20 0 GEADMM CN(CCC[N-]S(=O)(=O)c1ccc(Br)o1)CC(F)(F)F ZINC000680531660 532416737 /nfs/dbraw/zinc/41/67/37/532416737.db2.gz AKXRJJSGYNWWBE-UHFFFAOYSA-N -1 1 379.198 2.205 20 0 GEADMM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CC2 ZINC000280573938 532414956 /nfs/dbraw/zinc/41/49/56/532414956.db2.gz LYXJZUHIPULZAR-VIFPVBQESA-N -1 1 379.244 2.326 20 0 GEADMM C[C@H]1CCc2c(sc3nc(-c4cncc(S(N)(=O)=O)c4)[n-]c(=O)c32)C1 ZINC000427465389 532424451 /nfs/dbraw/zinc/42/44/51/532424451.db2.gz MSOSMNLAUCRRCI-QMMMGPOBSA-N -1 1 376.463 2.231 20 0 GEADMM O=S(=O)([N-]CCNc1ncnc2sccc21)c1cc(F)c(F)cc1F ZINC000591816913 532425168 /nfs/dbraw/zinc/42/51/68/532425168.db2.gz KNKUEMASPROHMC-UHFFFAOYSA-N -1 1 388.396 2.499 20 0 GEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000517845426 532428737 /nfs/dbraw/zinc/42/87/37/532428737.db2.gz PDALAFVXLBRAJQ-UHFFFAOYSA-N -1 1 378.431 2.407 20 0 GEADMM Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000517925762 532429968 /nfs/dbraw/zinc/42/99/68/532429968.db2.gz WPEAIIKAXCOPSP-UHFFFAOYSA-N -1 1 378.435 2.398 20 0 GEADMM Cc1ncc2c(n1)CCN(C(=O)c1cc(I)ccc1[O-])C2 ZINC000517992435 532431964 /nfs/dbraw/zinc/43/19/64/532431964.db2.gz JACWAUMCACLQEM-UHFFFAOYSA-N -1 1 395.200 2.294 20 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Cc1nc(Cn2nnc(NC(=O)c3cc(Br)ccc3[O-])c2C)no1 ZINC000436668420 532641064 /nfs/dbraw/zinc/64/10/64/532641064.db2.gz YAPSZLVJLKBIMS-UHFFFAOYSA-N -1 1 393.201 2.047 20 0 GEADMM CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc(Br)cc2[O-])CCOC1 ZINC000598166758 532641916 /nfs/dbraw/zinc/64/19/16/532641916.db2.gz KUILKLRZEFLAQA-INIZCTEOSA-N -1 1 386.242 2.385 20 0 GEADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)c1 ZINC000436730653 532643699 /nfs/dbraw/zinc/64/36/99/532643699.db2.gz XQZSIDAELDIGFS-XMMPIXPASA-N -1 1 383.447 2.078 20 0 GEADMM O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1ccc([O-])cc1F ZINC000436753437 532643785 /nfs/dbraw/zinc/64/37/85/532643785.db2.gz UMQXWFZWKGKILD-CQSZACIVSA-N -1 1 379.185 2.439 20 0 GEADMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000599457774 532660242 /nfs/dbraw/zinc/66/02/42/532660242.db2.gz VXSPVEQGIASKSV-RDBSUJKOSA-N -1 1 383.457 2.090 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1-n1nnnc1C ZINC000264093412 532660947 /nfs/dbraw/zinc/66/09/47/532660947.db2.gz WLXNJUJIAMZJMR-UHFFFAOYSA-N -1 1 379.467 2.458 20 0 GEADMM Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000567862136 532667251 /nfs/dbraw/zinc/66/72/51/532667251.db2.gz NWKYRKCFUBUNSY-QMMMGPOBSA-N -1 1 375.260 2.095 20 0 GEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3CS(C)(=O)=O)ccc2O1 ZINC000264283992 532668599 /nfs/dbraw/zinc/66/85/99/532668599.db2.gz FVEGVRMKBRZRBW-GFCCVEGCSA-N -1 1 381.475 2.355 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)s1 ZINC000437322313 532655512 /nfs/dbraw/zinc/65/55/12/532655512.db2.gz KBXRTKOLTDPPLN-UHFFFAOYSA-N -1 1 378.435 2.225 20 0 GEADMM C[C@@H]1CSC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000568702633 532685049 /nfs/dbraw/zinc/68/50/49/532685049.db2.gz PEYJICYZHPUSSO-KCJUWKMLSA-N -1 1 383.322 2.139 20 0 GEADMM COc1ccc(CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1Br ZINC000378232404 532685355 /nfs/dbraw/zinc/68/53/55/532685355.db2.gz SMRKEKKKSDRKME-LBPRGKRZSA-N -1 1 394.273 2.310 20 0 GEADMM Cc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC000285349743 532672591 /nfs/dbraw/zinc/67/25/91/532672591.db2.gz HEVDPMACIJOMSB-RXMQYKEDSA-N -1 1 379.225 2.158 20 0 GEADMM CCCN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000660027665 532672984 /nfs/dbraw/zinc/67/29/84/532672984.db2.gz NGYCWBRRYFZGBM-SNVBAGLBSA-N -1 1 395.859 2.339 20 0 GEADMM O=S(=O)(CCO)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000568436577 532677097 /nfs/dbraw/zinc/67/70/97/532677097.db2.gz SKZYLLJRNSRBBK-UHFFFAOYSA-N -1 1 391.417 2.191 20 0 GEADMM CC(C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1 ZINC000285403838 532677917 /nfs/dbraw/zinc/67/79/17/532677917.db2.gz ZQZNWTSPMPWMBH-JTQLQIEISA-N -1 1 376.862 2.124 20 0 GEADMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000285449030 532680435 /nfs/dbraw/zinc/68/04/35/532680435.db2.gz MCGKERKXZBGYQZ-BXKDBHETSA-N -1 1 380.297 2.360 20 0 GEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2F)n[n-]1 ZINC000603165891 532691390 /nfs/dbraw/zinc/69/13/90/532691390.db2.gz MHYLXZBYUOCXMO-SSDOTTSWSA-N -1 1 385.193 2.374 20 0 GEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(Br)cc2F)[n-]1 ZINC000603165891 532691392 /nfs/dbraw/zinc/69/13/92/532691392.db2.gz MHYLXZBYUOCXMO-SSDOTTSWSA-N -1 1 385.193 2.374 20 0 GEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(Br)cc2F)n1 ZINC000603165891 532691398 /nfs/dbraw/zinc/69/13/98/532691398.db2.gz MHYLXZBYUOCXMO-SSDOTTSWSA-N -1 1 385.193 2.374 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C2CC2)c(OC)c1 ZINC000536390170 532692316 /nfs/dbraw/zinc/69/23/16/532692316.db2.gz LOHOYLBYAMJTQX-UHFFFAOYSA-N -1 1 376.500 2.020 20 0 GEADMM O=S(=O)([N-][C@H]1CCO[C@@]2(CCOC2)C1)c1sccc1Br ZINC000378420649 532694465 /nfs/dbraw/zinc/69/44/65/532694465.db2.gz HSXPHPZJEYUDJR-CABZTGNLSA-N -1 1 382.301 2.127 20 0 GEADMM O=S(=O)([N-]CC(F)(F)F)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC000439298812 532688886 /nfs/dbraw/zinc/68/88/86/532688886.db2.gz VWAYCKGCVBOMAS-QPJJXVBHSA-N -1 1 377.432 2.151 20 0 GEADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000265204747 532689310 /nfs/dbraw/zinc/68/93/10/532689310.db2.gz QMSHLBPVAXAQIZ-NXEZZACHSA-N -1 1 395.344 2.436 20 0 GEADMM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000569690200 532704177 /nfs/dbraw/zinc/70/41/77/532704177.db2.gz IJMUFHSXRXDMDF-CHWSQXEVSA-N -1 1 398.706 2.326 20 0 GEADMM O=C(c1ccc(Br)c([O-])c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000391063663 532706222 /nfs/dbraw/zinc/70/62/22/532706222.db2.gz UAMIXPYMYMDTQT-UHFFFAOYSA-N -1 1 391.147 2.421 20 0 GEADMM COC(=O)c1nscc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489582678 532709882 /nfs/dbraw/zinc/70/98/82/532709882.db2.gz LVKFVOIUNNAVQB-UHFFFAOYSA-N -1 1 376.799 2.082 20 0 GEADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000408301956 532716100 /nfs/dbraw/zinc/71/61/00/532716100.db2.gz DFCVTYWMHLMWLU-IJLUTSLNSA-N -1 1 378.491 2.252 20 0 GEADMM Cc1csc(C2([N-]S(=O)(=O)c3coc(C(=O)N(C)C)c3C)CCC2)n1 ZINC000645573319 532717137 /nfs/dbraw/zinc/71/71/37/532717137.db2.gz UPIZRPNRNMNYKP-UHFFFAOYSA-N -1 1 383.495 2.412 20 0 GEADMM CCN(CC)CCS(=O)(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000646042016 532721716 /nfs/dbraw/zinc/72/17/16/532721716.db2.gz FVINYBJEHSGRFU-INIZCTEOSA-N -1 1 376.906 2.291 20 0 GEADMM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000539152296 532725429 /nfs/dbraw/zinc/72/54/29/532725429.db2.gz XZVGLUPYIGTOJS-SECBINFHSA-N -1 1 385.442 2.016 20 0 GEADMM CC(C)(C)C(=O)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579714448 532742859 /nfs/dbraw/zinc/74/28/59/532742859.db2.gz UWIBLVYLTSXTGI-UHFFFAOYSA-N -1 1 381.281 2.003 20 0 GEADMM C[C@H]1COCCN1C1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000615090371 532746047 /nfs/dbraw/zinc/74/60/47/532746047.db2.gz QVALWGDMJOSNKI-LBPRGKRZSA-N -1 1 383.286 2.480 20 0 GEADMM O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1c([O-])cccc1F ZINC000442975647 532738167 /nfs/dbraw/zinc/73/81/67/532738167.db2.gz KFSMFWZKUWXIRN-UHFFFAOYSA-N -1 1 390.795 2.032 20 0 GEADMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410387256 532738224 /nfs/dbraw/zinc/73/82/24/532738224.db2.gz YMJPWVOALQDJIU-UHFFFAOYSA-N -1 1 375.219 2.396 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2F)cn(C)c1=O ZINC000410385784 532738355 /nfs/dbraw/zinc/73/83/55/532738355.db2.gz WUYFSIOJMHHFOS-UHFFFAOYSA-N -1 1 375.219 2.396 20 0 GEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3F)[C@H]2C1 ZINC000578693636 532738416 /nfs/dbraw/zinc/73/84/16/532738416.db2.gz NZONWTNXOVZAON-GMXVVIOVSA-N -1 1 376.400 2.029 20 0 GEADMM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)C[C@H](C)OC ZINC000443016253 532739218 /nfs/dbraw/zinc/73/92/18/532739218.db2.gz VMQKWATXTZXHTH-IINYFYTJSA-N -1 1 398.308 2.422 20 0 GEADMM Cc1cscc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000267363336 532741212 /nfs/dbraw/zinc/74/12/12/532741212.db2.gz LXBWFJBZWXALFE-UHFFFAOYSA-N -1 1 382.463 2.035 20 0 GEADMM O=S(=O)([N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cccc(F)c1F ZINC000443215088 532741903 /nfs/dbraw/zinc/74/19/03/532741903.db2.gz WLPOEWXNWOJCCY-IUODEOHRSA-N -1 1 377.359 2.480 20 0 GEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000581391816 532755679 /nfs/dbraw/zinc/75/56/79/532755679.db2.gz WQBABNVTXJUIOG-XMMPIXPASA-N -1 1 380.491 2.317 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)c(Br)n1C ZINC000286671934 532761279 /nfs/dbraw/zinc/76/12/79/532761279.db2.gz KSUJEBOSBBSPLR-LURJTMIESA-N -1 1 395.229 2.204 20 0 GEADMM O=C(N[C@H]1CCC[C@H](CO)C1)c1ccc(I)c([O-])c1 ZINC000311544448 532778037 /nfs/dbraw/zinc/77/80/37/532778037.db2.gz ZBXVMZBFLSCPLQ-ONGXEEELSA-N -1 1 375.206 2.278 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H]2C)c(F)c1 ZINC000451234828 532763574 /nfs/dbraw/zinc/76/35/74/532763574.db2.gz GCOXAGMZLVNOMO-VXGBXAGGSA-N -1 1 378.491 2.396 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C)c(Br)o1 ZINC000268469617 532764688 /nfs/dbraw/zinc/76/46/88/532764688.db2.gz HCAUPWZZCLOKAQ-JTQLQIEISA-N -1 1 398.275 2.168 20 0 GEADMM COCc1nnc(S(=O)(=O)Cc2csc(-c3ccccc3OC)n2)[n-]1 ZINC000268474387 532765055 /nfs/dbraw/zinc/76/50/55/532765055.db2.gz IXNLBSXCEKZQPA-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM COCc1nc(S(=O)(=O)Cc2csc(-c3ccccc3OC)n2)n[n-]1 ZINC000268474387 532765058 /nfs/dbraw/zinc/76/50/58/532765058.db2.gz IXNLBSXCEKZQPA-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM CC[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000452037755 532770775 /nfs/dbraw/zinc/77/07/75/532770775.db2.gz VZNIGDWSBAXGCN-NWDGAFQWSA-N -1 1 378.491 2.396 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(CO)CCC1 ZINC000510008740 532771730 /nfs/dbraw/zinc/77/17/30/532771730.db2.gz XSHTUIDMKUHNFK-UHFFFAOYSA-N -1 1 382.265 2.221 20 0 GEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000546795986 532786076 /nfs/dbraw/zinc/78/60/76/532786076.db2.gz HPTHHQATJUHHJI-CYBMUJFWSA-N -1 1 388.225 2.157 20 0 GEADMM COc1ccc(NC(=O)C[C@H]2CSCCS2)cc1[N-]S(C)(=O)=O ZINC000269680288 532786101 /nfs/dbraw/zinc/78/61/01/532786101.db2.gz FFQLQTMREZLRIR-NSHDSACASA-N -1 1 376.525 2.244 20 0 GEADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cnn([C@@H]2CCOC2)c1 ZINC000269684529 532786115 /nfs/dbraw/zinc/78/61/15/532786115.db2.gz HFWCRJXTDWEMIC-SNVBAGLBSA-N -1 1 385.829 2.070 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@H](CCCO)C1 ZINC000457116883 532786636 /nfs/dbraw/zinc/78/66/36/532786636.db2.gz NYILERVPQZZBHR-JTQLQIEISA-N -1 1 375.206 2.231 20 0 GEADMM O=S(=O)([N-]C[C@@H](O)C1CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000269713991 532787599 /nfs/dbraw/zinc/78/75/99/532787599.db2.gz AJOGJBOOSPIEIG-GFCCVEGCSA-N -1 1 387.807 2.425 20 0 GEADMM COC[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000412409858 532790735 /nfs/dbraw/zinc/79/07/35/532790735.db2.gz RINGKRWAAWXKSS-LLVKDONJSA-N -1 1 395.308 2.299 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]2CCC[C@@H]21 ZINC000549554897 532794816 /nfs/dbraw/zinc/79/48/16/532794816.db2.gz NERMGRFTBCMXMT-JSGCOSHPSA-N -1 1 390.502 2.396 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000554891781 532805853 /nfs/dbraw/zinc/80/58/53/532805853.db2.gz HMIJFVVJKXEQDA-MRVPVSSYSA-N -1 1 379.360 2.546 20 0 GEADMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271528095 532807585 /nfs/dbraw/zinc/80/75/85/532807585.db2.gz RVJQEKKWOVIBRZ-SECBINFHSA-N -1 1 375.422 2.049 20 0 GEADMM CSCc1noc(CCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000271510560 532807621 /nfs/dbraw/zinc/80/76/21/532807621.db2.gz NACMTLLIGSGAMK-UHFFFAOYSA-N -1 1 388.446 2.015 20 0 GEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556366178 532810079 /nfs/dbraw/zinc/81/00/79/532810079.db2.gz CXVDVXZRLBYCDW-OAHLLOKOSA-N -1 1 384.860 2.457 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000328751122 532797113 /nfs/dbraw/zinc/79/71/13/532797113.db2.gz MYAKNUBXQXFKLJ-XWIASGKRSA-N -1 1 379.404 2.065 20 0 GEADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000412875055 532802383 /nfs/dbraw/zinc/80/23/83/532802383.db2.gz YFTHOQKNHJUYFH-SECBINFHSA-N -1 1 380.242 2.346 20 0 GEADMM CCC[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000287627528 532803448 /nfs/dbraw/zinc/80/34/48/532803448.db2.gz UABKUKNIQAMPEB-CYBMUJFWSA-N -1 1 385.877 2.065 20 0 GEADMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)s1 ZINC000287636047 532804027 /nfs/dbraw/zinc/80/40/27/532804027.db2.gz BPSNUXIXDSDJEF-ZETCQYMHSA-N -1 1 393.332 2.338 20 0 GEADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272107842 532812936 /nfs/dbraw/zinc/81/29/36/532812936.db2.gz NQVKXLVGIOOPBP-UHFFFAOYSA-N -1 1 380.297 2.314 20 0 GEADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000414034169 532817682 /nfs/dbraw/zinc/81/76/82/532817682.db2.gz MFRDSNJZQJKIAQ-ZJUUUORDSA-N -1 1 375.206 2.230 20 0 GEADMM CC(C)(C)[C@@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000330508249 532820383 /nfs/dbraw/zinc/82/03/83/532820383.db2.gz IOJWTMZOXJZJOR-CBAPKCEASA-N -1 1 376.327 2.491 20 0 GEADMM COc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1OC ZINC000330594083 532821732 /nfs/dbraw/zinc/82/17/32/532821732.db2.gz PYOHSGNBPINQNC-LBPRGKRZSA-N -1 1 389.779 2.357 20 0 GEADMM CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000414353709 532821863 /nfs/dbraw/zinc/82/18/63/532821863.db2.gz SMGVILZIZGGQKW-UHFFFAOYSA-N -1 1 386.470 2.338 20 0 GEADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c(C)n1 ZINC000414455843 532828348 /nfs/dbraw/zinc/82/83/48/532828348.db2.gz IKPUSTGJMDRILL-UHFFFAOYSA-N -1 1 387.458 2.318 20 0 GEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(CSCc2ccccc2)no1 ZINC000273782719 532834334 /nfs/dbraw/zinc/83/43/34/532834334.db2.gz GWRTYYDVRRAEMO-UHFFFAOYSA-N -1 1 385.511 2.347 20 0 GEADMM CCOc1cc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc(Cl)c1[O-] ZINC000273811895 532835015 /nfs/dbraw/zinc/83/50/15/532835015.db2.gz AYTQUIIITHRVRM-ZDUSSCGKSA-N -1 1 384.885 2.486 20 0 GEADMM CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C[C@H]1N(C)C ZINC000331320691 532837879 /nfs/dbraw/zinc/83/78/79/532837879.db2.gz KPZFUEGJRMKEKT-PWSUYJOCSA-N -1 1 384.445 2.077 20 0 GEADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007401944 204241511 /nfs/dbraw/zinc/24/15/11/204241511.db2.gz XYSOIIURMQHTLB-UHFFFAOYSA-N -1 1 384.454 2.411 20 0 GEADMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccccc1Br ZINC000007883124 204254035 /nfs/dbraw/zinc/25/40/35/204254035.db2.gz HQCXZNZSAAZAJU-GFCCVEGCSA-N -1 1 398.282 2.108 20 0 GEADMM O=S(=O)(c1cc(C(F)(F)F)ccc1[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000331909695 532846373 /nfs/dbraw/zinc/84/63/73/532846373.db2.gz IOPGYSDHBCUJOY-JTQLQIEISA-N -1 1 376.360 2.445 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000274333807 532847950 /nfs/dbraw/zinc/84/79/50/532847950.db2.gz DOPWGRCSKZISAD-NSHDSACASA-N -1 1 379.511 2.188 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(OC)c(Cl)c1 ZINC000274694065 532854549 /nfs/dbraw/zinc/85/45/49/532854549.db2.gz VZNKXHQIPYZISH-IUODEOHRSA-N -1 1 391.873 2.051 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)c1Cl ZINC000289435477 532854706 /nfs/dbraw/zinc/85/47/06/532854706.db2.gz DFXQZOUNMKNXNI-CQSZACIVSA-N -1 1 381.885 2.446 20 0 GEADMM Cn1nccc1N1CCC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000332406202 532854890 /nfs/dbraw/zinc/85/48/90/532854890.db2.gz HVDNVUKKHZGHMJ-GFCCVEGCSA-N -1 1 379.258 2.287 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000274940773 532860111 /nfs/dbraw/zinc/86/01/11/532860111.db2.gz GGRWUTWYRYEGRB-ZDUSSCGKSA-N -1 1 381.281 2.211 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(c3c(F)cccc3F)C2=O)sc1C ZINC000333202537 532865999 /nfs/dbraw/zinc/86/59/99/532865999.db2.gz ZSOJYYFGRAWIOT-LBPRGKRZSA-N -1 1 387.433 2.122 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1ccccc1Br ZINC000416183077 532866542 /nfs/dbraw/zinc/86/65/42/532866542.db2.gz XEMCACGVUGKLPG-UHFFFAOYSA-N -1 1 396.241 2.367 20 0 GEADMM O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000275162307 532866881 /nfs/dbraw/zinc/86/68/81/532866881.db2.gz AOQMLOCBZDDEIJ-ZETCQYMHSA-N -1 1 394.140 2.114 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000416215725 532867440 /nfs/dbraw/zinc/86/74/40/532867440.db2.gz IUKNBSRQVJUWMH-OIBJUYFYSA-N -1 1 398.188 2.084 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCO[C@@H]2CCC[C@H]21 ZINC000290337015 532878377 /nfs/dbraw/zinc/87/83/77/532878377.db2.gz JKHUJXNXAADEKU-CHWSQXEVSA-N -1 1 393.292 2.052 20 0 GEADMM O=C(Nc1ccsc1Cl)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290367287 532879052 /nfs/dbraw/zinc/87/90/52/532879052.db2.gz PPUIZVCFUFLJOJ-QMMMGPOBSA-N -1 1 397.806 2.257 20 0 GEADMM C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CCO1 ZINC000275600246 532879592 /nfs/dbraw/zinc/87/95/92/532879592.db2.gz HYIXHQWPFOTKEW-IWZWCOEHSA-N -1 1 387.263 2.250 20 0 GEADMM COc1cc([N-]S(=O)(=O)CCC(C)(C)C)ccc1S(=O)(=O)N(C)C ZINC000290494411 532882103 /nfs/dbraw/zinc/88/21/03/532882103.db2.gz JTWNRIAKQAXMIJ-UHFFFAOYSA-N -1 1 378.516 2.123 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCC[C@H]2C)c1 ZINC000349559971 532883045 /nfs/dbraw/zinc/88/30/45/532883045.db2.gz AOGRPLQNWVVBBK-HUUCEWRRSA-N -1 1 389.543 2.020 20 0 GEADMM CCS(=O)(=O)c1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290631271 532885251 /nfs/dbraw/zinc/88/52/51/532885251.db2.gz HCFFMPDKELFRSR-LBPRGKRZSA-N -1 1 378.416 2.375 20 0 GEADMM CC[C@@H]1CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000349611178 532884087 /nfs/dbraw/zinc/88/40/87/532884087.db2.gz SHNFULPQFMMFBM-OAHLLOKOSA-N -1 1 389.543 2.034 20 0 GEADMM CN(C1CCC1)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349607349 532884147 /nfs/dbraw/zinc/88/41/47/532884147.db2.gz ZGBSZRBSCZYFFE-UHFFFAOYSA-N -1 1 395.934 2.071 20 0 GEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000421149049 532888513 /nfs/dbraw/zinc/88/85/13/532888513.db2.gz FLQMRQXHONWKHG-MRXNPFEDSA-N -1 1 383.491 2.090 20 0 GEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)OC ZINC000421145763 532888771 /nfs/dbraw/zinc/88/87/71/532888771.db2.gz DCFCFVMADPFTHQ-LBPRGKRZSA-N -1 1 396.506 2.069 20 0 GEADMM CC[C@H](CS(=O)(=O)[N-]c1cc(F)c(Cl)cc1N1CCOCC1)OC ZINC000421168458 532889333 /nfs/dbraw/zinc/88/93/33/532889333.db2.gz YAJZXZZZVPHCNP-LLVKDONJSA-N -1 1 380.869 2.482 20 0 GEADMM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000360976276 532891706 /nfs/dbraw/zinc/89/17/06/532891706.db2.gz FCQIEPMKTYDLKG-OCCSQVGLSA-N -1 1 394.273 2.131 20 0 GEADMM CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000360976275 532891877 /nfs/dbraw/zinc/89/18/77/532891877.db2.gz FCQIEPMKTYDLKG-JSGCOSHPSA-N -1 1 394.273 2.131 20 0 GEADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)s1 ZINC000290908453 532892152 /nfs/dbraw/zinc/89/21/52/532892152.db2.gz GNTRUUXRAILITM-UHFFFAOYSA-N -1 1 398.388 2.189 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000291121357 532896343 /nfs/dbraw/zinc/89/63/43/532896343.db2.gz GARKPSYGCSWWKF-LLVKDONJSA-N -1 1 383.189 2.281 20 0 GEADMM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291641180 532905757 /nfs/dbraw/zinc/90/57/57/532905757.db2.gz IUBGZBNSAQYLPW-GHMZBOCLSA-N -1 1 395.253 2.315 20 0 GEADMM O=C(CSc1ccc(O)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000292135756 532913717 /nfs/dbraw/zinc/91/37/17/532913717.db2.gz SYXRGQZDHSMBEH-NSHDSACASA-N -1 1 376.400 2.401 20 0 GEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CSCc1ccccn1 ZINC000292424546 532916285 /nfs/dbraw/zinc/91/62/85/532916285.db2.gz CJOFTIMVORYZCA-DGCLKSJQSA-N -1 1 375.416 2.373 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366654210 532920032 /nfs/dbraw/zinc/92/00/32/532920032.db2.gz LHFDROTVCWODEN-WDEREUQCSA-N -1 1 387.217 2.495 20 0 GEADMM Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(Br)c1 ZINC000366732287 532920900 /nfs/dbraw/zinc/92/09/00/532920900.db2.gz MVEFCYXPWSDVNX-VXGBXAGGSA-N -1 1 394.273 2.444 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c(C(F)(F)F)n1 ZINC000293199260 532923529 /nfs/dbraw/zinc/92/35/29/532923529.db2.gz UICFWWCUEBQVCE-JTQLQIEISA-N -1 1 379.335 2.380 20 0 GEADMM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)[N-]c1cccc(Br)n1 ZINC000367838066 532927786 /nfs/dbraw/zinc/92/77/86/532927786.db2.gz YNAGCMNQPMYCLW-LBPRGKRZSA-N -1 1 390.303 2.377 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c(Br)n1C ZINC000367867493 532927983 /nfs/dbraw/zinc/92/79/83/532927983.db2.gz YITRSLABUMJHNO-NSHDSACASA-N -1 1 392.319 2.261 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)c(C(F)(F)F)n1 ZINC000293534541 532928234 /nfs/dbraw/zinc/92/82/34/532928234.db2.gz PRYSSDWNPWMQCG-UHFFFAOYSA-N -1 1 394.444 2.295 20 0 GEADMM Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)c3ccc(Cl)s3)CCC[N@H+]2C)cn1 ZINC000371738500 532949567 /nfs/dbraw/zinc/94/95/67/532949567.db2.gz DMKTYHNLWHJOKK-ABAIWWIYSA-N -1 1 388.946 2.496 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CCc2cscn2)c1-c1nn[n-]n1 ZINC000737503331 598846818 /nfs/dbraw/zinc/84/68/18/598846818.db2.gz HTHMHFPWIMEOCT-UHFFFAOYSA-N -1 1 395.448 2.493 20 0 GEADMM CC(C)COC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735839484 598873565 /nfs/dbraw/zinc/87/35/65/598873565.db2.gz WDIFGTXNWVFBJQ-UHFFFAOYSA-N -1 1 399.904 2.346 20 0 GEADMM CC(C)COC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735839484 598873566 /nfs/dbraw/zinc/87/35/66/598873566.db2.gz WDIFGTXNWVFBJQ-UHFFFAOYSA-N -1 1 399.904 2.346 20 0 GEADMM Cc1ncc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000737490898 598874763 /nfs/dbraw/zinc/87/47/63/598874763.db2.gz ANOCBLUVOUPIFZ-UHFFFAOYSA-N -1 1 384.874 2.106 20 0 GEADMM Cc1ncc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000737490898 598874764 /nfs/dbraw/zinc/87/47/64/598874764.db2.gz ANOCBLUVOUPIFZ-UHFFFAOYSA-N -1 1 384.874 2.106 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)s1 ZINC000736370939 598918934 /nfs/dbraw/zinc/91/89/34/598918934.db2.gz UNBDRJLXZDSXAM-SECBINFHSA-N -1 1 384.874 2.406 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)s1 ZINC000736370939 598918937 /nfs/dbraw/zinc/91/89/37/598918937.db2.gz UNBDRJLXZDSXAM-SECBINFHSA-N -1 1 384.874 2.406 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000737301785 598930574 /nfs/dbraw/zinc/93/05/74/598930574.db2.gz URJVSAKQWVYZJV-UHFFFAOYSA-N -1 1 399.461 2.494 20 0 GEADMM Fc1ccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000737658824 598933722 /nfs/dbraw/zinc/93/37/22/598933722.db2.gz INRXDOAHAJQPHJ-UHFFFAOYSA-N -1 1 376.399 2.276 20 0 GEADMM Fc1ccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000737658824 598933723 /nfs/dbraw/zinc/93/37/23/598933723.db2.gz INRXDOAHAJQPHJ-UHFFFAOYSA-N -1 1 376.399 2.276 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735633791 598936569 /nfs/dbraw/zinc/93/65/69/598936569.db2.gz SNWUDIKPXXXBRN-UHFFFAOYSA-N -1 1 396.455 2.303 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735633791 598936570 /nfs/dbraw/zinc/93/65/70/598936570.db2.gz SNWUDIKPXXXBRN-UHFFFAOYSA-N -1 1 396.455 2.303 20 0 GEADMM Cc1cccc(C)c1OC[C@@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737389273 598937042 /nfs/dbraw/zinc/93/70/42/598937042.db2.gz HNDRXVNBCZAMMN-AWEZNQCLSA-N -1 1 391.435 2.279 20 0 GEADMM Cc1cccc(C)c1OC[C@@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737389273 598937044 /nfs/dbraw/zinc/93/70/44/598937044.db2.gz HNDRXVNBCZAMMN-AWEZNQCLSA-N -1 1 391.435 2.279 20 0 GEADMM Cc1cc(C)cc(CCNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000737252837 598944763 /nfs/dbraw/zinc/94/47/63/598944763.db2.gz LZHUYRFJBUHUDH-UHFFFAOYSA-N -1 1 394.479 2.492 20 0 GEADMM CCCCCC(=O)NC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736440565 598963312 /nfs/dbraw/zinc/96/33/12/598963312.db2.gz DUSHQMHLVKDCLM-UHFFFAOYSA-N -1 1 394.483 2.475 20 0 GEADMM CCCCCC(=O)NC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736440565 598963314 /nfs/dbraw/zinc/96/33/14/598963314.db2.gz DUSHQMHLVKDCLM-UHFFFAOYSA-N -1 1 394.483 2.475 20 0 GEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1C ZINC000821669850 607255694 /nfs/dbraw/zinc/25/56/94/607255694.db2.gz ALUGEVLSAXIDGI-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM CN(CCCNC(=O)OC(C)(C)C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736800190 598970985 /nfs/dbraw/zinc/97/09/85/598970985.db2.gz JOKQKOUJEHPERG-UHFFFAOYSA-N -1 1 384.444 2.161 20 0 GEADMM CN(CCCNC(=O)OC(C)(C)C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736800190 598970987 /nfs/dbraw/zinc/97/09/87/598970987.db2.gz JOKQKOUJEHPERG-UHFFFAOYSA-N -1 1 384.444 2.161 20 0 GEADMM O=C(Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1)c1ccncc1 ZINC000738185840 598991842 /nfs/dbraw/zinc/99/18/42/598991842.db2.gz JLAOPPPBTNBYMV-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM O=C(Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1)c1ccncc1 ZINC000738185840 598991843 /nfs/dbraw/zinc/99/18/43/598991843.db2.gz JLAOPPPBTNBYMV-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM O=C(Oc1ccccc1I)c1ccc(-c2nnn[n-]2)nc1 ZINC000738247487 598993393 /nfs/dbraw/zinc/99/33/93/598993393.db2.gz QBYXTJYBCJHGNG-UHFFFAOYSA-N -1 1 393.144 2.086 20 0 GEADMM O=C(Oc1ccccc1I)c1ccc(-c2nn[n-]n2)nc1 ZINC000738247487 598993394 /nfs/dbraw/zinc/99/33/94/598993394.db2.gz QBYXTJYBCJHGNG-UHFFFAOYSA-N -1 1 393.144 2.086 20 0 GEADMM C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)O1 ZINC000736292173 598994049 /nfs/dbraw/zinc/99/40/49/598994049.db2.gz ILSBKSGWSNPZKH-CHWSQXEVSA-N -1 1 379.424 2.128 20 0 GEADMM C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)O1 ZINC000736292173 598994050 /nfs/dbraw/zinc/99/40/50/598994050.db2.gz ILSBKSGWSNPZKH-CHWSQXEVSA-N -1 1 379.424 2.128 20 0 GEADMM CCCNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000736488368 598995417 /nfs/dbraw/zinc/99/54/17/598995417.db2.gz PZPWBIXDLHZSOL-UHFFFAOYSA-N -1 1 385.815 2.307 20 0 GEADMM CCCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000736488368 598995419 /nfs/dbraw/zinc/99/54/19/598995419.db2.gz PZPWBIXDLHZSOL-UHFFFAOYSA-N -1 1 385.815 2.307 20 0 GEADMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735755315 598996569 /nfs/dbraw/zinc/99/65/69/598996569.db2.gz FHYSWJATOYKRMJ-UHFFFAOYSA-N -1 1 379.424 2.176 20 0 GEADMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735755315 598996571 /nfs/dbraw/zinc/99/65/71/598996571.db2.gz FHYSWJATOYKRMJ-UHFFFAOYSA-N -1 1 379.424 2.176 20 0 GEADMM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738018686 599002275 /nfs/dbraw/zinc/00/22/75/599002275.db2.gz DSIZUMAZJJYYJR-TZMCWYRMSA-N -1 1 385.225 2.310 20 0 GEADMM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738018686 599002277 /nfs/dbraw/zinc/00/22/77/599002277.db2.gz DSIZUMAZJJYYJR-TZMCWYRMSA-N -1 1 385.225 2.310 20 0 GEADMM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737001983 599004659 /nfs/dbraw/zinc/00/46/59/599004659.db2.gz IJXKYHIRKNJUGP-UHFFFAOYSA-N -1 1 390.806 2.343 20 0 GEADMM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737001983 599004661 /nfs/dbraw/zinc/00/46/61/599004661.db2.gz IJXKYHIRKNJUGP-UHFFFAOYSA-N -1 1 390.806 2.343 20 0 GEADMM C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736227976 599006275 /nfs/dbraw/zinc/00/62/75/599006275.db2.gz MSKNOYUNMLIDAH-BDAKNGLRSA-N -1 1 375.376 2.305 20 0 GEADMM O=C(Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1)Nc1ccc(Cl)cc1 ZINC000737978064 599010425 /nfs/dbraw/zinc/01/04/25/599010425.db2.gz PFXSSUABNGLQCQ-UHFFFAOYSA-N -1 1 382.771 2.146 20 0 GEADMM O=C(Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1)Nc1ccc(Cl)cc1 ZINC000737978064 599010427 /nfs/dbraw/zinc/01/04/27/599010427.db2.gz PFXSSUABNGLQCQ-UHFFFAOYSA-N -1 1 382.771 2.146 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000738259770 599020129 /nfs/dbraw/zinc/02/01/29/599020129.db2.gz WDVRBRIZZUAHER-OAHLLOKOSA-N -1 1 378.392 2.010 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000738259770 599020131 /nfs/dbraw/zinc/02/01/31/599020131.db2.gz WDVRBRIZZUAHER-OAHLLOKOSA-N -1 1 378.392 2.010 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000738259262 599023250 /nfs/dbraw/zinc/02/32/50/599023250.db2.gz PLURJGMFZOJRIB-ZDUSSCGKSA-N -1 1 375.392 2.423 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000738259262 599023252 /nfs/dbraw/zinc/02/32/52/599023252.db2.gz PLURJGMFZOJRIB-ZDUSSCGKSA-N -1 1 375.392 2.423 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738354044 599033657 /nfs/dbraw/zinc/03/36/57/599033657.db2.gz GSNLFXDQSLTTIX-LBPRGKRZSA-N -1 1 391.403 2.323 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738354044 599033659 /nfs/dbraw/zinc/03/36/59/599033659.db2.gz GSNLFXDQSLTTIX-LBPRGKRZSA-N -1 1 391.403 2.323 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737635910 599061705 /nfs/dbraw/zinc/06/17/05/599061705.db2.gz PVURFPUELXUFLW-NSHDSACASA-N -1 1 376.346 2.366 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737635910 599061708 /nfs/dbraw/zinc/06/17/08/599061708.db2.gz PVURFPUELXUFLW-NSHDSACASA-N -1 1 376.346 2.366 20 0 GEADMM COc1cc(F)ccc1N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737054747 599061715 /nfs/dbraw/zinc/06/17/15/599061715.db2.gz VFVFZNRMCQOHMZ-UHFFFAOYSA-N -1 1 395.851 2.451 20 0 GEADMM COc1cc(F)ccc1N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737054747 599061718 /nfs/dbraw/zinc/06/17/18/599061718.db2.gz VFVFZNRMCQOHMZ-UHFFFAOYSA-N -1 1 395.851 2.451 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000737548954 599096495 /nfs/dbraw/zinc/09/64/95/599096495.db2.gz RUSZQIJUZYPZNO-APHBMKBZSA-N -1 1 396.451 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000737548954 599096498 /nfs/dbraw/zinc/09/64/98/599096498.db2.gz RUSZQIJUZYPZNO-APHBMKBZSA-N -1 1 396.451 2.492 20 0 GEADMM O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1sccc1-c1nn[n-]n1 ZINC000738211954 599126666 /nfs/dbraw/zinc/12/66/66/599126666.db2.gz APQDPNZEWUOWDB-CYBMUJFWSA-N -1 1 387.396 2.420 20 0 GEADMM COC(=O)c1oc2ccccc2c1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736957638 599138928 /nfs/dbraw/zinc/13/89/28/599138928.db2.gz VFGVRJVJVRTURW-UHFFFAOYSA-N -1 1 379.332 2.152 20 0 GEADMM COC(=O)c1oc2ccccc2c1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736957638 599138930 /nfs/dbraw/zinc/13/89/30/599138930.db2.gz VFGVRJVJVRTURW-UHFFFAOYSA-N -1 1 379.332 2.152 20 0 GEADMM O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738216019 599141621 /nfs/dbraw/zinc/14/16/21/599141621.db2.gz UXOBFUQGITWGKN-KRWDZBQOSA-N -1 1 392.419 2.172 20 0 GEADMM O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738216019 599141622 /nfs/dbraw/zinc/14/16/22/599141622.db2.gz UXOBFUQGITWGKN-KRWDZBQOSA-N -1 1 392.419 2.172 20 0 GEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237036 599151346 /nfs/dbraw/zinc/15/13/46/599151346.db2.gz NYNGDQNLMDRSJI-IVMMDQJWSA-N -1 1 387.440 2.423 20 0 GEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237036 599151347 /nfs/dbraw/zinc/15/13/47/599151347.db2.gz NYNGDQNLMDRSJI-IVMMDQJWSA-N -1 1 387.440 2.423 20 0 GEADMM CC[C@H](C)C[C@H](C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820870204 599160327 /nfs/dbraw/zinc/16/03/27/599160327.db2.gz OZCMAFDWGXMNDL-RYUDHWBXSA-N -1 1 384.488 2.400 20 0 GEADMM CC[C@H](C)C[C@H](C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820870204 599160329 /nfs/dbraw/zinc/16/03/29/599160329.db2.gz OZCMAFDWGXMNDL-RYUDHWBXSA-N -1 1 384.488 2.400 20 0 GEADMM CNC(=O)COC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000736874633 599195178 /nfs/dbraw/zinc/19/51/78/599195178.db2.gz SKDXQAUMMAAULH-UHFFFAOYSA-N -1 1 387.783 2.215 20 0 GEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000818208117 596907656 /nfs/dbraw/zinc/90/76/56/596907656.db2.gz VTEGDLKURSTBLV-ZDUSSCGKSA-N -1 1 380.876 2.420 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737186077 599240251 /nfs/dbraw/zinc/24/02/51/599240251.db2.gz FYCUPEWAMGCNJX-NSHDSACASA-N -1 1 396.476 2.224 20 0 GEADMM COc1cc(-c2nnc(CN3CCC[C@H](CC(=O)[O-])C3)o2)cc(OC)c1OC ZINC000818556124 597086462 /nfs/dbraw/zinc/08/64/62/597086462.db2.gz SYEXEJXVHUJWPP-GFCCVEGCSA-N -1 1 391.424 2.449 20 0 GEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000818224363 597259231 /nfs/dbraw/zinc/25/92/31/597259231.db2.gz CQRTVVBTURJTCY-UHFFFAOYSA-N -1 1 380.422 2.236 20 0 GEADMM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000819626047 597313317 /nfs/dbraw/zinc/31/33/17/597313317.db2.gz BQMMOHWSVSXHFQ-UHFFFAOYSA-N -1 1 382.781 2.202 20 0 GEADMM O=C1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2Cl)CCN1 ZINC000823535828 607309303 /nfs/dbraw/zinc/30/93/03/607309303.db2.gz IVLXOPZKRAQMGH-UHFFFAOYSA-N -1 1 389.872 2.130 20 0 GEADMM O=S1(=O)CCCN1c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000823612539 607310231 /nfs/dbraw/zinc/31/02/31/607310231.db2.gz AVRHWNDQDFQRBZ-UHFFFAOYSA-N -1 1 376.467 2.080 20 0 GEADMM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000737551613 597495109 /nfs/dbraw/zinc/49/51/09/597495109.db2.gz VVCOUCGZUDRJEP-GFCCVEGCSA-N -1 1 391.401 2.320 20 0 GEADMM O=C([O-])[C@@H]1CCCN1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000769515965 597514358 /nfs/dbraw/zinc/51/43/58/597514358.db2.gz JFLMDZQCIORTGP-HNNXBMFYSA-N -1 1 389.477 2.321 20 0 GEADMM CC(=O)NCCN(Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@H](C)C(=O)[O-] ZINC000414673288 597703573 /nfs/dbraw/zinc/70/35/73/597703573.db2.gz CWHGNNCUBOFFBS-CYBMUJFWSA-N -1 1 378.860 2.245 20 0 GEADMM O=S(=O)(NC(C1CCCC1)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738331867 599275014 /nfs/dbraw/zinc/27/50/14/599275014.db2.gz XLNUWZVBQFCPOD-UHFFFAOYSA-N -1 1 376.486 2.289 20 0 GEADMM O=S(=O)(NC(C1CCCC1)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738331867 599275015 /nfs/dbraw/zinc/27/50/15/599275015.db2.gz XLNUWZVBQFCPOD-UHFFFAOYSA-N -1 1 376.486 2.289 20 0 GEADMM CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821620333 607325849 /nfs/dbraw/zinc/32/58/49/607325849.db2.gz GLPHXVKRBXOLBM-CYBMUJFWSA-N -1 1 375.186 2.419 20 0 GEADMM CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821620333 607325850 /nfs/dbraw/zinc/32/58/50/607325850.db2.gz GLPHXVKRBXOLBM-CYBMUJFWSA-N -1 1 375.186 2.419 20 0 GEADMM CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000736846604 600231535 /nfs/dbraw/zinc/23/15/35/600231535.db2.gz HNPNAHPQXDMOOA-UHFFFAOYSA-N -1 1 386.817 2.219 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000820535887 598175124 /nfs/dbraw/zinc/17/51/24/598175124.db2.gz VDXFRFGZNPKMIE-MRXNPFEDSA-N -1 1 389.839 2.396 20 0 GEADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000819908419 598179629 /nfs/dbraw/zinc/17/96/29/598179629.db2.gz BPFQQKLNWNXPGV-UHFFFAOYSA-N -1 1 390.484 2.133 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000736132834 598258830 /nfs/dbraw/zinc/25/88/30/598258830.db2.gz XRZCLMBCAHMXBJ-IWERZKIRSA-N -1 1 388.497 2.145 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000736132834 598258831 /nfs/dbraw/zinc/25/88/31/598258831.db2.gz XRZCLMBCAHMXBJ-IWERZKIRSA-N -1 1 388.497 2.145 20 0 GEADMM CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736507536 598265855 /nfs/dbraw/zinc/26/58/55/598265855.db2.gz FBPXQYJGQAQXJA-GFCCVEGCSA-N -1 1 388.453 2.042 20 0 GEADMM CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736507536 598265858 /nfs/dbraw/zinc/26/58/58/598265858.db2.gz FBPXQYJGQAQXJA-GFCCVEGCSA-N -1 1 388.453 2.042 20 0 GEADMM C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736200445 598266635 /nfs/dbraw/zinc/26/66/35/598266635.db2.gz SGTUFQSWUGWVRI-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736200445 598266636 /nfs/dbraw/zinc/26/66/36/598266636.db2.gz SGTUFQSWUGWVRI-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000737199928 598312839 /nfs/dbraw/zinc/31/28/39/598312839.db2.gz KERQXVSHKLMGLV-NSHDSACASA-N -1 1 382.424 2.100 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)c1cccc(O)c1 ZINC000737199922 598312988 /nfs/dbraw/zinc/31/29/88/598312988.db2.gz KERQXVSHKLMGLV-LLVKDONJSA-N -1 1 382.424 2.100 20 0 GEADMM O=S(=O)(Oc1ccccc1OC(F)F)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738348675 598370461 /nfs/dbraw/zinc/37/04/61/598370461.db2.gz WEDZKLICQUTJHB-UHFFFAOYSA-N -1 1 386.311 2.375 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCC[C@@H](O)C1 ZINC000738266932 598401310 /nfs/dbraw/zinc/40/13/10/598401310.db2.gz DJGVVORSJRFAFN-CYBMUJFWSA-N -1 1 383.383 2.395 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCC[C@@H](O)C1 ZINC000738266932 598401311 /nfs/dbraw/zinc/40/13/11/598401311.db2.gz DJGVVORSJRFAFN-CYBMUJFWSA-N -1 1 383.383 2.395 20 0 GEADMM Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737474849 598409349 /nfs/dbraw/zinc/40/93/49/598409349.db2.gz WHDOZLZSJNPDQW-VIFPVBQESA-N -1 1 396.473 2.461 20 0 GEADMM CC[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000736384744 598412031 /nfs/dbraw/zinc/41/20/31/598412031.db2.gz ZEEVJXLOYRUTOX-ZDUSSCGKSA-N -1 1 385.355 2.219 20 0 GEADMM CC[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000736384744 598412032 /nfs/dbraw/zinc/41/20/32/598412032.db2.gz ZEEVJXLOYRUTOX-ZDUSSCGKSA-N -1 1 385.355 2.219 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2cn(C)nc2C)c1-c1nn[n-]n1 ZINC000737189926 598502783 /nfs/dbraw/zinc/50/27/83/598502783.db2.gz RVGZOWAGXABFDA-SECBINFHSA-N -1 1 398.496 2.394 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC(Oc2ccccc2)C1 ZINC000737546798 598505641 /nfs/dbraw/zinc/50/56/41/598505641.db2.gz HPNZXBPLGSCHPC-UHFFFAOYSA-N -1 1 390.403 2.462 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC(Oc2ccccc2)C1 ZINC000737546798 598505643 /nfs/dbraw/zinc/50/56/43/598505643.db2.gz HPNZXBPLGSCHPC-UHFFFAOYSA-N -1 1 390.403 2.462 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCNc1ccccc1 ZINC000737198927 598510992 /nfs/dbraw/zinc/51/09/92/598510992.db2.gz DRLYKIVGFKJISK-UHFFFAOYSA-N -1 1 395.467 2.135 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000735671095 598553782 /nfs/dbraw/zinc/55/37/82/598553782.db2.gz MIRWJZDHPNMYRS-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000735671095 598553783 /nfs/dbraw/zinc/55/37/83/598553783.db2.gz MIRWJZDHPNMYRS-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM Clc1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)nc1-c1nnn[n-]1 ZINC000737576228 598571679 /nfs/dbraw/zinc/57/16/79/598571679.db2.gz ZBLGXVJKWWNYJT-HNNXBMFYSA-N -1 1 385.859 2.401 20 0 GEADMM O=C(NCc1ccccc1)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738115399 598572226 /nfs/dbraw/zinc/57/22/26/598572226.db2.gz COOVMLWZFDIFSC-UHFFFAOYSA-N -1 1 397.870 2.448 20 0 GEADMM O=C(NCc1ccccc1)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738115399 598572227 /nfs/dbraw/zinc/57/22/27/598572227.db2.gz COOVMLWZFDIFSC-UHFFFAOYSA-N -1 1 397.870 2.448 20 0 GEADMM CCc1ccc(C(=O)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000736685093 598572696 /nfs/dbraw/zinc/57/26/96/598572696.db2.gz FDNATFQTPNCAOK-UHFFFAOYSA-N -1 1 397.870 2.440 20 0 GEADMM CCc1ccc(C(=O)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000736685093 598572698 /nfs/dbraw/zinc/57/26/98/598572698.db2.gz FDNATFQTPNCAOK-UHFFFAOYSA-N -1 1 397.870 2.440 20 0 GEADMM CC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735497634 598686279 /nfs/dbraw/zinc/68/62/79/598686279.db2.gz SHQSRZZMVGXOCF-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737410119 598688948 /nfs/dbraw/zinc/68/89/48/598688948.db2.gz FQRAWYWPMXZYPQ-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737099391 598692216 /nfs/dbraw/zinc/69/22/16/598692216.db2.gz MPZIZMISWCEHKD-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM CC(=O)c1ccc(F)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735495542 598694178 /nfs/dbraw/zinc/69/41/78/598694178.db2.gz KEWFCAICNFQGEG-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC(C)(Cc1ccccc1Cl)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735671504 598694195 /nfs/dbraw/zinc/69/41/95/598694195.db2.gz XKFBTQPXEHGXIM-UHFFFAOYSA-N -1 1 392.872 2.215 20 0 GEADMM CC(C)(Cc1ccccc1Cl)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735671504 598694198 /nfs/dbraw/zinc/69/41/98/598694198.db2.gz XKFBTQPXEHGXIM-UHFFFAOYSA-N -1 1 392.872 2.215 20 0 GEADMM COc1ccccc1C(C)(C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737141726 598694674 /nfs/dbraw/zinc/69/46/74/598694674.db2.gz JTOQFPCSGFLGPT-UHFFFAOYSA-N -1 1 391.428 2.228 20 0 GEADMM O=S(=O)(NCc1ccc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338847 598710378 /nfs/dbraw/zinc/71/03/78/598710378.db2.gz NIJGNZGJTDSUPV-UHFFFAOYSA-N -1 1 382.405 2.000 20 0 GEADMM O=S(=O)(NCc1ccc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338847 598710380 /nfs/dbraw/zinc/71/03/80/598710380.db2.gz NIJGNZGJTDSUPV-UHFFFAOYSA-N -1 1 382.405 2.000 20 0 GEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736274375 598719685 /nfs/dbraw/zinc/71/96/85/598719685.db2.gz UNXQDGQKOVWKPR-CZUORRHYSA-N -1 1 380.452 2.219 20 0 GEADMM Cn1cc(-c2nc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)cs2)cn1 ZINC000737593115 598719823 /nfs/dbraw/zinc/71/98/23/598719823.db2.gz QOIIPFKLNJUXQI-UHFFFAOYSA-N -1 1 390.432 2.087 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccc(F)cc1F ZINC000737983438 598720134 /nfs/dbraw/zinc/72/01/34/598720134.db2.gz VNAOJABFLWZMBA-UHFFFAOYSA-N -1 1 382.330 2.099 20 0 GEADMM C[C@@H]1CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)C1 ZINC000736268349 598720947 /nfs/dbraw/zinc/72/09/47/598720947.db2.gz WKYHAIOTVRPSSX-LLVKDONJSA-N -1 1 386.843 2.094 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)N1CCCCCC1 ZINC000737980199 598722167 /nfs/dbraw/zinc/72/21/67/598722167.db2.gz ACFNANRBBPAUOS-UHFFFAOYSA-N -1 1 386.843 2.238 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2c(N)cccc2Cl)c(-c2nn[n-]n2)c1C ZINC000737553509 598728404 /nfs/dbraw/zinc/72/84/04/598728404.db2.gz XDWJKDPUHGADQQ-UHFFFAOYSA-N -1 1 390.787 2.108 20 0 GEADMM CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735618174 598767608 /nfs/dbraw/zinc/76/76/08/598767608.db2.gz KQBXYDVBLDBJIF-UHFFFAOYSA-N -1 1 386.481 2.499 20 0 GEADMM CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735618174 598767610 /nfs/dbraw/zinc/76/76/10/598767610.db2.gz KQBXYDVBLDBJIF-UHFFFAOYSA-N -1 1 386.481 2.499 20 0 GEADMM O=S(=O)(Oc1cccc(Oc2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346948 598768751 /nfs/dbraw/zinc/76/87/51/598768751.db2.gz ANRLKFVZBLOVFE-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM O=S(=O)(Oc1cccc(Oc2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346948 598768753 /nfs/dbraw/zinc/76/87/53/598768753.db2.gz ANRLKFVZBLOVFE-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM COC(=O)[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc2ccccc2c1 ZINC000736892960 598816941 /nfs/dbraw/zinc/81/69/41/598816941.db2.gz QVDXFYMWMQHICV-MRXNPFEDSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc2ccccc2c1 ZINC000736892960 598816943 /nfs/dbraw/zinc/81/69/43/598816943.db2.gz QVDXFYMWMQHICV-MRXNPFEDSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc2ccccc2c1 ZINC000736892958 598817093 /nfs/dbraw/zinc/81/70/93/598817093.db2.gz QVDXFYMWMQHICV-INIZCTEOSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc2ccccc2c1 ZINC000736892958 598817094 /nfs/dbraw/zinc/81/70/94/598817094.db2.gz QVDXFYMWMQHICV-INIZCTEOSA-N -1 1 389.419 2.254 20 0 GEADMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)ccc1F ZINC000823387817 599302877 /nfs/dbraw/zinc/30/28/77/599302877.db2.gz ZBHOAZKJOGFEIN-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM CCc1nn(CCC(=O)Nc2cccc(F)c2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517752 599306026 /nfs/dbraw/zinc/30/60/26/599306026.db2.gz NZEMOQROVQPHLC-UHFFFAOYSA-N -1 1 399.430 2.025 20 0 GEADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)no1 ZINC000822198673 599335484 /nfs/dbraw/zinc/33/54/84/599335484.db2.gz FRQFWPHFOHSUKI-ZDUSSCGKSA-N -1 1 394.844 2.342 20 0 GEADMM CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821610911 599335838 /nfs/dbraw/zinc/33/58/38/599335838.db2.gz KBUFLUMHFAPNFH-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822694076 599336802 /nfs/dbraw/zinc/33/68/02/599336802.db2.gz UJBCQWYQPCQRHH-AWEZNQCLSA-N -1 1 392.872 2.384 20 0 GEADMM C[C@@H](c1cccnc1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820570481 599339248 /nfs/dbraw/zinc/33/92/48/599339248.db2.gz KPTVMMWFYUOIMW-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000820253459 599342229 /nfs/dbraw/zinc/34/22/29/599342229.db2.gz ISESTHBDTVLMHP-LBPRGKRZSA-N -1 1 375.429 2.430 20 0 GEADMM C[C@@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000820253459 599342232 /nfs/dbraw/zinc/34/22/32/599342232.db2.gz ISESTHBDTVLMHP-LBPRGKRZSA-N -1 1 375.429 2.430 20 0 GEADMM CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821127629 599342280 /nfs/dbraw/zinc/34/22/80/599342280.db2.gz KUZHMNXQKCWJLE-CYBMUJFWSA-N -1 1 399.904 2.490 20 0 GEADMM C[C@H]1c2c(F)cccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820820280 599344953 /nfs/dbraw/zinc/34/49/53/599344953.db2.gz NNJDLBVHYWLZEH-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM C[C@H]1c2c(F)cccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820820280 599344955 /nfs/dbraw/zinc/34/49/55/599344955.db2.gz NNJDLBVHYWLZEH-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c(Cl)cccc2C1 ZINC000823607414 599346730 /nfs/dbraw/zinc/34/67/30/599346730.db2.gz URCPGIDXMDEXEM-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c(Cl)cccc2C1 ZINC000823607414 599346731 /nfs/dbraw/zinc/34/67/31/599346731.db2.gz URCPGIDXMDEXEM-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM CCC[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821021217 599349108 /nfs/dbraw/zinc/34/91/08/599349108.db2.gz MCKFOZFGAUSHEZ-HNNXBMFYSA-N -1 1 386.481 2.342 20 0 GEADMM CCC[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821021217 599349109 /nfs/dbraw/zinc/34/91/09/599349109.db2.gz MCKFOZFGAUSHEZ-HNNXBMFYSA-N -1 1 386.481 2.342 20 0 GEADMM CN(CCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821607636 599372691 /nfs/dbraw/zinc/37/26/91/599372691.db2.gz XNALJEQHASUURW-UHFFFAOYSA-N -1 1 383.886 2.445 20 0 GEADMM COc1ccccc1NC(=O)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737152989 599407155 /nfs/dbraw/zinc/40/71/55/599407155.db2.gz WCBQFOBTLSRNHT-UHFFFAOYSA-N -1 1 379.424 2.125 20 0 GEADMM COc1ccccc1NC(=O)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737152989 599407156 /nfs/dbraw/zinc/40/71/56/599407156.db2.gz WCBQFOBTLSRNHT-UHFFFAOYSA-N -1 1 379.424 2.125 20 0 GEADMM O=C(c1cc(Cl)ccc1F)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738247402 599410324 /nfs/dbraw/zinc/41/03/24/599410324.db2.gz OWEKHOAUFGYGIV-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM O=C(c1cc(Cl)ccc1F)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738247402 599410329 /nfs/dbraw/zinc/41/03/29/599410329.db2.gz OWEKHOAUFGYGIV-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM c1ccc(-c2noc(C3CCN(c4cccc(-c5nnn[n-]5)n4)CC3)n2)nc1 ZINC000738424100 599426038 /nfs/dbraw/zinc/42/60/38/599426038.db2.gz AYXMBAPQWVHOOH-UHFFFAOYSA-N -1 1 375.396 2.091 20 0 GEADMM c1ccc(-c2noc(C3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)n2)nc1 ZINC000738424100 599426040 /nfs/dbraw/zinc/42/60/40/599426040.db2.gz AYXMBAPQWVHOOH-UHFFFAOYSA-N -1 1 375.396 2.091 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](c1ccccn1)C(C)C ZINC000737200858 599468671 /nfs/dbraw/zinc/46/86/71/599468671.db2.gz NQLYXQQAKSZECP-SFHVURJKSA-N -1 1 395.467 2.425 20 0 GEADMM CS(=O)(=O)c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000821936700 599474072 /nfs/dbraw/zinc/47/40/72/599474072.db2.gz DPISRWXEPMLGFQ-UHFFFAOYSA-N -1 1 380.433 2.431 20 0 GEADMM CS(=O)(=O)c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000821936700 599474074 /nfs/dbraw/zinc/47/40/74/599474074.db2.gz DPISRWXEPMLGFQ-UHFFFAOYSA-N -1 1 380.433 2.431 20 0 GEADMM CS(=O)(=O)Nc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000821937846 599480958 /nfs/dbraw/zinc/48/09/58/599480958.db2.gz RNKIXDNRSGFRDM-UHFFFAOYSA-N -1 1 395.448 2.399 20 0 GEADMM CS(=O)(=O)Nc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000821937846 599480961 /nfs/dbraw/zinc/48/09/61/599480961.db2.gz RNKIXDNRSGFRDM-UHFFFAOYSA-N -1 1 395.448 2.399 20 0 GEADMM CCC[C@@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821009582 599497165 /nfs/dbraw/zinc/49/71/65/599497165.db2.gz WEDSCGOFQSTJKG-QGZVFWFLSA-N -1 1 376.486 2.142 20 0 GEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(=O)[n-]1 ZINC000821989320 599510474 /nfs/dbraw/zinc/51/04/74/599510474.db2.gz JQCXKNHWZBRVNS-JTQLQIEISA-N -1 1 399.480 2.203 20 0 GEADMM CN(C)C(=O)C[C@H]1CN(c2nccnc2-c2nnn[n-]2)c2ccc(Cl)cc21 ZINC000821575869 599575835 /nfs/dbraw/zinc/57/58/35/599575835.db2.gz SKGOUVOGZRRMND-JTQLQIEISA-N -1 1 384.831 2.024 20 0 GEADMM CN(C)C(=O)C[C@H]1CN(c2nccnc2-c2nn[n-]n2)c2ccc(Cl)cc21 ZINC000821575869 599575838 /nfs/dbraw/zinc/57/58/38/599575838.db2.gz SKGOUVOGZRRMND-JTQLQIEISA-N -1 1 384.831 2.024 20 0 GEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1CCOc1ccccc1 ZINC000823519552 599586172 /nfs/dbraw/zinc/58/61/72/599586172.db2.gz HZJYCLHZIMWYCD-GFCCVEGCSA-N -1 1 399.842 2.007 20 0 GEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1CCOc1ccccc1 ZINC000823519552 599586174 /nfs/dbraw/zinc/58/61/74/599586174.db2.gz HZJYCLHZIMWYCD-GFCCVEGCSA-N -1 1 399.842 2.007 20 0 GEADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736279117 599593139 /nfs/dbraw/zinc/59/31/39/599593139.db2.gz VKKIAWQBAYLEFH-SECBINFHSA-N -1 1 375.376 2.306 20 0 GEADMM CN1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736857333 599595068 /nfs/dbraw/zinc/59/50/68/599595068.db2.gz QWEHBAMJCAMMDU-UHFFFAOYSA-N -1 1 388.428 2.041 20 0 GEADMM C[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736292181 599596751 /nfs/dbraw/zinc/59/67/51/599596751.db2.gz HHHKQYPWHYXISM-MRVPVSSYSA-N -1 1 393.416 2.012 20 0 GEADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)c1cnn(-c2ccccc2)c1 ZINC000823027571 599659236 /nfs/dbraw/zinc/65/92/36/599659236.db2.gz XIJMLNLYVUQUGI-UHFFFAOYSA-N -1 1 380.389 2.154 20 0 GEADMM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000737361416 599728492 /nfs/dbraw/zinc/72/84/92/599728492.db2.gz SZTIKXHLBUAKJZ-OAHLLOKOSA-N -1 1 396.896 2.489 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCSCC(=O)[O-])CC1 ZINC000737121977 599753910 /nfs/dbraw/zinc/75/39/10/599753910.db2.gz FCIMYPDFTFBHRN-AWEZNQCLSA-N -1 1 397.516 2.353 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000736649503 599755083 /nfs/dbraw/zinc/75/50/83/599755083.db2.gz HJXSRIXXYIQQQP-MLGOLLRUSA-N -1 1 380.404 2.013 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000431521323 599769699 /nfs/dbraw/zinc/76/96/99/599769699.db2.gz FJWKETMVHINDNG-UHFFFAOYSA-N -1 1 380.397 2.467 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCN(Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736886048 599796632 /nfs/dbraw/zinc/79/66/32/599796632.db2.gz ORCVAQFPHYSIQN-VQIMIIECSA-N -1 1 375.513 2.198 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736649472 599800448 /nfs/dbraw/zinc/80/04/48/599800448.db2.gz GMTVNJMGTWGRRS-ZBEGNZNMSA-N -1 1 398.394 2.153 20 0 GEADMM O=C([O-])COc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000739824286 599802079 /nfs/dbraw/zinc/80/20/79/599802079.db2.gz QPVVCKLJWGPWPJ-UHFFFAOYSA-N -1 1 396.808 2.099 20 0 GEADMM C[C@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736741338 599839894 /nfs/dbraw/zinc/83/98/94/599839894.db2.gz KJWPZMSWZCUPHQ-RDTXWAMCSA-N -1 1 379.844 2.394 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738230860 599860970 /nfs/dbraw/zinc/86/09/70/599860970.db2.gz SKZABHRQFJDQCP-UHFFFAOYSA-N -1 1 398.350 2.071 20 0 GEADMM COCCOc1cccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000821694026 607403683 /nfs/dbraw/zinc/40/36/83/607403683.db2.gz ZOMDEFFAXRTZSR-UHFFFAOYSA-N -1 1 399.455 2.025 20 0 GEADMM COCCOc1cccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000821694026 607403684 /nfs/dbraw/zinc/40/36/84/607403684.db2.gz ZOMDEFFAXRTZSR-UHFFFAOYSA-N -1 1 399.455 2.025 20 0 GEADMM CS[C@H]1CCCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821956512 607405462 /nfs/dbraw/zinc/40/54/62/607405462.db2.gz QDASEJADGUFJMR-ZDUSSCGKSA-N -1 1 390.513 2.261 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)cc1 ZINC000740164408 599951360 /nfs/dbraw/zinc/95/13/60/599951360.db2.gz SVNLQPUPAMCPNP-UHFFFAOYSA-N -1 1 385.401 2.131 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000738521729 599957550 /nfs/dbraw/zinc/95/75/50/599957550.db2.gz ZPEGYDHNDVBUIW-DOTOQJQBSA-N -1 1 397.479 2.411 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1 ZINC000739826141 600054879 /nfs/dbraw/zinc/05/48/79/600054879.db2.gz HYSYPLPHCQJZMO-UHFFFAOYSA-N -1 1 387.417 2.196 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000738406130 600103608 /nfs/dbraw/zinc/10/36/08/600103608.db2.gz LSCLSGOQARVLJQ-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)CC1 ZINC000737529022 600103659 /nfs/dbraw/zinc/10/36/59/600103659.db2.gz QMFNKFZTUSSGIG-UHFFFAOYSA-N -1 1 379.460 2.288 20 0 GEADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000739546289 600109992 /nfs/dbraw/zinc/10/99/92/600109992.db2.gz BMMFEYRZATVCNB-CVEARBPZSA-N -1 1 399.413 2.054 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738164816 600115052 /nfs/dbraw/zinc/11/50/52/600115052.db2.gz ZSGJYCWPRQEWCV-UHFFFAOYSA-N -1 1 385.344 2.392 20 0 GEADMM Cc1nn(C)c(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1C ZINC000738919575 600127146 /nfs/dbraw/zinc/12/71/46/600127146.db2.gz WWRHOKGNCKUGMO-UHFFFAOYSA-N -1 1 388.243 2.298 20 0 GEADMM 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ZINC000737161275 600285997 /nfs/dbraw/zinc/28/59/97/600285997.db2.gz FYMGGPZWZULWEL-ZIAGYGMSSA-N -1 1 392.452 2.247 20 0 GEADMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cnc1Cl ZINC000735265977 600298546 /nfs/dbraw/zinc/29/85/46/600298546.db2.gz SVUBCTQEKGARPS-UHFFFAOYSA-N -1 1 397.840 2.049 20 0 GEADMM CN(Cc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1)C(=O)[O-] ZINC000737477565 600306464 /nfs/dbraw/zinc/30/64/64/600306464.db2.gz BWSCMSSEBPOPKR-UHFFFAOYSA-N -1 1 395.419 2.431 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736724036 600312860 /nfs/dbraw/zinc/31/28/60/600312860.db2.gz JQMBPPQRXCWNJG-BBRMVZONSA-N -1 1 399.422 2.414 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000422597167 600325282 /nfs/dbraw/zinc/32/52/82/600325282.db2.gz UIZUOGNVNBQDQV-INIZCTEOSA-N -1 1 399.422 2.243 20 0 GEADMM O=C([O-])c1cc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1F ZINC000739406662 600326012 /nfs/dbraw/zinc/32/60/12/600326012.db2.gz 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COC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000831586102 601491537 /nfs/dbraw/zinc/49/15/37/601491537.db2.gz SWYULQAYUXCGBZ-KRWDZBQOSA-N -1 1 398.506 2.183 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)ccc1O ZINC000833306179 601492697 /nfs/dbraw/zinc/49/26/97/601492697.db2.gz CEUKQTINQDKQOO-UHFFFAOYSA-N -1 1 377.353 2.216 20 0 GEADMM CCN1C[C@@H](C)[C@H](Nc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)C1 ZINC000829752603 601565117 /nfs/dbraw/zinc/56/51/17/601565117.db2.gz JHHFZMREPJCOPD-BXUZGUMPSA-N -1 1 376.844 2.336 20 0 GEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000826032012 601611115 /nfs/dbraw/zinc/61/11/15/601611115.db2.gz WPEVAHRETKWDHG-UWJYYQICSA-N -1 1 396.491 2.172 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000830049499 601627720 /nfs/dbraw/zinc/62/77/20/601627720.db2.gz DUGBJBZFNLKAKB-QGZVFWFLSA-N -1 1 390.484 2.212 20 0 GEADMM COC(=O)[C@H](C)[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000831059404 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O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000833099868 602058088 /nfs/dbraw/zinc/05/80/88/602058088.db2.gz JWCOUAKDXPHLLE-QZTJIDSGSA-N -1 1 388.512 2.134 20 0 GEADMM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000833100729 602058118 /nfs/dbraw/zinc/05/81/18/602058118.db2.gz LNUPWAVLCOOGMA-GJZGRUSLSA-N -1 1 386.452 2.223 20 0 GEADMM O=C([O-])NC[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000740636579 602058413 /nfs/dbraw/zinc/05/84/13/602058413.db2.gz QXJPHHUGXUWFDL-JKSUJKDBSA-N -1 1 378.473 2.496 20 0 GEADMM O=C([O-])NC[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740636570 602058475 /nfs/dbraw/zinc/05/84/75/602058475.db2.gz QXJPHHUGXUWFDL-CVEARBPZSA-N -1 1 378.473 2.496 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739060793 602089927 /nfs/dbraw/zinc/08/99/27/602089927.db2.gz VXJAOEFUBVXWLL-CJNGLKHVSA-N -1 1 397.435 2.062 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 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HUBUDWPXZYGAKI-GFCCVEGCSA-N -1 1 387.402 2.184 20 0 GEADMM C[C@@H](CC(=O)[O-])C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000827295255 602171287 /nfs/dbraw/zinc/17/12/87/602171287.db2.gz HUBUDWPXZYGAKI-LBPRGKRZSA-N -1 1 387.402 2.184 20 0 GEADMM CCOC(=O)c1c(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)sc2c1CCC2 ZINC000829873915 602228454 /nfs/dbraw/zinc/22/84/54/602228454.db2.gz WNXIZPSATGEPSL-CQSZACIVSA-N -1 1 382.482 2.441 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1OC ZINC000739909877 602275176 /nfs/dbraw/zinc/27/51/76/602275176.db2.gz TYPCGFRBLPDNHW-GOEBONIOSA-N -1 1 393.484 2.173 20 0 GEADMM O=C([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000833296147 602319358 /nfs/dbraw/zinc/31/93/58/602319358.db2.gz UDFTZVBSMHBUAD-UHFFFAOYSA-N -1 1 397.210 2.219 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1F ZINC000533629099 602321013 /nfs/dbraw/zinc/32/10/13/602321013.db2.gz KKJIAJMATFVARA-UHFFFAOYSA-N -1 1 386.744 2.413 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])N2CCCCC2)cc1 ZINC000739891334 602339979 /nfs/dbraw/zinc/33/99/79/602339979.db2.gz ACDLLDKHFNGSJZ-DLBZAZTESA-N -1 1 393.509 2.391 20 0 GEADMM O=C(OCc1ccccc1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826466524 607562288 /nfs/dbraw/zinc/56/22/88/607562288.db2.gz HJYSWVLYVBMXPL-UHFFFAOYSA-N -1 1 399.842 2.374 20 0 GEADMM O=C(OCc1ccccc1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826466524 607562290 /nfs/dbraw/zinc/56/22/90/607562290.db2.gz HJYSWVLYVBMXPL-UHFFFAOYSA-N -1 1 399.842 2.374 20 0 GEADMM C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738620811 602380469 /nfs/dbraw/zinc/38/04/69/602380469.db2.gz YGWNYOJHHDOUFO-QGZVFWFLSA-N -1 1 388.512 2.046 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC(CN(C)C(=O)[O-])CC2)cc1F ZINC000739906684 602387342 /nfs/dbraw/zinc/38/73/42/602387342.db2.gz CNDUSTBDVHKXER-UHFFFAOYSA-N -1 1 381.448 2.115 20 0 GEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738950278 602398704 /nfs/dbraw/zinc/39/87/04/602398704.db2.gz MERUFWNKXIKHBF-UONOGXRCSA-N -1 1 383.439 2.334 20 0 GEADMM CN(C[C@@H]1CCCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739638159 602399072 /nfs/dbraw/zinc/39/90/72/602399072.db2.gz VBDGVFNFQGXDKH-YJBOKZPZSA-N -1 1 393.459 2.047 20 0 GEADMM CCN(CCNC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000739430374 602439612 /nfs/dbraw/zinc/43/96/12/602439612.db2.gz DRLDCFOXPXCNAZ-HOTGVXAUSA-N -1 1 392.500 2.095 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000740172998 602449475 /nfs/dbraw/zinc/44/94/75/602449475.db2.gz LVGWNYJTFDDGMF-JKSUJKDBSA-N -1 1 377.485 2.247 20 0 GEADMM CN(C[C@H]1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1)C(=O)[O-] ZINC000739659502 602528154 /nfs/dbraw/zinc/52/81/54/602528154.db2.gz DCCBCCXVMDBLOT-LLVKDONJSA-N -1 1 391.365 2.392 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1F ZINC000738091715 602530381 /nfs/dbraw/zinc/53/03/81/602530381.db2.gz WLWCOGVWTFTWBI-ZDUSSCGKSA-N -1 1 381.448 2.255 20 0 GEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739660530 602540288 /nfs/dbraw/zinc/54/02/88/602540288.db2.gz NIRVOVARCNKKHP-AWEZNQCLSA-N -1 1 385.411 2.178 20 0 GEADMM O=S(=O)(NCCc1c[nH]c2ccccc12)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491712 607574124 /nfs/dbraw/zinc/57/41/24/607574124.db2.gz XFZKXBZPQZVJOR-UHFFFAOYSA-N -1 1 386.412 2.008 20 0 GEADMM O=S(=O)(NCCc1c[nH]c2ccccc12)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491712 607574125 /nfs/dbraw/zinc/57/41/25/607574125.db2.gz XFZKXBZPQZVJOR-UHFFFAOYSA-N -1 1 386.412 2.008 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491598 607574446 /nfs/dbraw/zinc/57/44/46/607574446.db2.gz RDPATORQTCUEGT-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C[C@@H](C)O1 ZINC000739179034 602609353 /nfs/dbraw/zinc/60/93/53/602609353.db2.gz BMJUYKXCIKKEEW-HUUCEWRRSA-N -1 1 390.484 2.344 20 0 GEADMM COc1ccc([C@H](CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739891674 602612198 /nfs/dbraw/zinc/61/21/98/602612198.db2.gz DMTNHFBYSDFXCO-AEFFLSMTSA-N -1 1 390.484 2.274 20 0 GEADMM CN(C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1)C(=O)[O-] ZINC000739652491 602620704 /nfs/dbraw/zinc/62/07/04/602620704.db2.gz VXCYEVTYKVKTSK-INIZCTEOSA-N -1 1 392.475 2.431 20 0 GEADMM CCOC(=O)c1cccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825564802 607576856 /nfs/dbraw/zinc/57/68/56/607576856.db2.gz FZINWNADWCKQDC-UHFFFAOYSA-N -1 1 388.405 2.120 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117287 602629821 /nfs/dbraw/zinc/62/98/21/602629821.db2.gz JQOAJJRQTLKTAB-JKSUJKDBSA-N -1 1 378.473 2.366 20 0 GEADMM COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826219229 607577076 /nfs/dbraw/zinc/57/70/76/607577076.db2.gz WHBXYUNEGWFCBM-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826177280 607577208 /nfs/dbraw/zinc/57/72/08/607577208.db2.gz BGXSNRWFXJJPTR-UHFFFAOYSA-N -1 1 388.405 2.154 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825146196 607578353 /nfs/dbraw/zinc/57/83/53/607578353.db2.gz AMVNPCCBCLPPGJ-AWEZNQCLSA-N -1 1 391.428 2.444 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825146196 607578354 /nfs/dbraw/zinc/57/83/54/607578354.db2.gz AMVNPCCBCLPPGJ-AWEZNQCLSA-N -1 1 391.428 2.444 20 0 GEADMM COC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)ccc2NC(=O)[O-])c1 ZINC000739790597 602652210 /nfs/dbraw/zinc/65/22/10/602652210.db2.gz YCBUMWFUOWVKEL-UHFFFAOYSA-N -1 1 380.378 2.373 20 0 GEADMM O=C([O-])N1CCC[C@H](CCNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740424198 602657936 /nfs/dbraw/zinc/65/79/36/602657936.db2.gz BKSYLKHPKSNHDW-GFCCVEGCSA-N -1 1 390.419 2.190 20 0 GEADMM O=C([O-])N1CCC[C@H](CCNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740424198 602657938 /nfs/dbraw/zinc/65/79/38/602657938.db2.gz BKSYLKHPKSNHDW-GFCCVEGCSA-N -1 1 390.419 2.190 20 0 GEADMM O=S(=O)(NCCSCc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491680 607579601 /nfs/dbraw/zinc/57/96/01/607579601.db2.gz VOUWBLHDNOZBPV-UHFFFAOYSA-N -1 1 393.469 2.218 20 0 GEADMM O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488456 607582750 /nfs/dbraw/zinc/58/27/50/607582750.db2.gz QGDMOEIMJUSUSC-UHFFFAOYSA-N -1 1 393.366 2.405 20 0 GEADMM C[C@H]1CN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739178337 602762456 /nfs/dbraw/zinc/76/24/56/602762456.db2.gz YRILJCKQFZVAIF-LPHOPBHVSA-N -1 1 389.496 2.172 20 0 GEADMM C[C@@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739177902 602764214 /nfs/dbraw/zinc/76/42/14/602764214.db2.gz XEJUEIBXPSJELA-DOMZBBRYSA-N -1 1 385.411 2.224 20 0 GEADMM C[C@@H]1CN(CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739177862 602788356 /nfs/dbraw/zinc/78/83/56/602788356.db2.gz XAFRUAVLXXENHR-CJNGLKHVSA-N -1 1 383.876 2.155 20 0 GEADMM C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825107975 602790618 /nfs/dbraw/zinc/79/06/18/602790618.db2.gz IUMSKGXSJJCCPT-GDBMZVCRSA-N -1 1 392.475 2.287 20 0 GEADMM C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739085138 602855817 /nfs/dbraw/zinc/85/58/17/602855817.db2.gz CDDJFKMKXYYBLQ-GJZGRUSLSA-N -1 1 390.484 2.113 20 0 GEADMM COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826208878 607592433 /nfs/dbraw/zinc/59/24/33/607592433.db2.gz DGBCMWKPGMOWFU-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826208878 607592434 /nfs/dbraw/zinc/59/24/34/607592434.db2.gz DGBCMWKPGMOWFU-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488601 607597999 /nfs/dbraw/zinc/59/79/99/607597999.db2.gz UPQBNEQFVQKWBM-AAEUAGOBSA-N -1 1 375.841 2.355 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488601 607598000 /nfs/dbraw/zinc/59/80/00/607598000.db2.gz UPQBNEQFVQKWBM-AAEUAGOBSA-N -1 1 375.841 2.355 20 0 GEADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000740625551 602975867 /nfs/dbraw/zinc/97/58/67/602975867.db2.gz LCFNIXWQJSOHRG-KWQFWETISA-N -1 1 381.230 2.492 20 0 GEADMM CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCC1 ZINC000824836754 607598956 /nfs/dbraw/zinc/59/89/56/607598956.db2.gz COYVHROAOBAYJH-UHFFFAOYSA-N -1 1 375.376 2.497 20 0 GEADMM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCNC(=O)c2n[nH]c3ccccc32)n1 ZINC000738814288 603001385 /nfs/dbraw/zinc/00/13/85/603001385.db2.gz BPXRINQPMMEXBF-CYBMUJFWSA-N -1 1 386.412 2.273 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)cc1 ZINC000829310896 603008978 /nfs/dbraw/zinc/00/89/78/603008978.db2.gz KCMFRLARVUNHDQ-SJLPKXTDSA-N -1 1 390.484 2.274 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739184776 603020211 /nfs/dbraw/zinc/02/02/11/603020211.db2.gz LZKNNEGCYDHQRV-WTLGNFPFSA-N -1 1 389.496 2.348 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])CC2)c1 ZINC000740168811 603021118 /nfs/dbraw/zinc/02/11/18/603021118.db2.gz HDVMOBGKKWAZPW-RBUKOAKNSA-N -1 1 388.512 2.060 20 0 GEADMM COC(=O)[C@@H](C)Sc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826103416 607601971 /nfs/dbraw/zinc/60/19/71/607601971.db2.gz GJOVLOZKNCUCTA-LLVKDONJSA-N -1 1 399.432 2.272 20 0 GEADMM COC(=O)[C@@H](C)Sc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826103416 607601972 /nfs/dbraw/zinc/60/19/72/607601972.db2.gz GJOVLOZKNCUCTA-LLVKDONJSA-N -1 1 399.432 2.272 20 0 GEADMM Cc1ccccc1C1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826306855 607605201 /nfs/dbraw/zinc/60/52/01/607605201.db2.gz NPERBMCOHGMWNC-UHFFFAOYSA-N -1 1 387.440 2.324 20 0 GEADMM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825232174 607605202 /nfs/dbraw/zinc/60/52/02/607605202.db2.gz DFUJPQGSYHEXKK-SFHVURJKSA-N -1 1 390.444 2.388 20 0 GEADMM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825232174 607605204 /nfs/dbraw/zinc/60/52/04/607605204.db2.gz DFUJPQGSYHEXKK-SFHVURJKSA-N -1 1 390.444 2.388 20 0 GEADMM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825232173 607605394 /nfs/dbraw/zinc/60/53/94/607605394.db2.gz DFUJPQGSYHEXKK-GOSISDBHSA-N -1 1 390.444 2.388 20 0 GEADMM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825232173 607605395 /nfs/dbraw/zinc/60/53/95/607605395.db2.gz DFUJPQGSYHEXKK-GOSISDBHSA-N -1 1 390.444 2.388 20 0 GEADMM CCC(CC)[C@@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)N1CCOCC1 ZINC000739252128 603091475 /nfs/dbraw/zinc/09/14/75/603091475.db2.gz ITZBICKDKUAGTC-OFLPRAFFSA-N -1 1 384.521 2.001 20 0 GEADMM CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825125327 607606505 /nfs/dbraw/zinc/60/65/05/607606505.db2.gz CBGMSOYCTSMGSL-CQSZACIVSA-N -1 1 375.429 2.305 20 0 GEADMM Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826294261 607607161 /nfs/dbraw/zinc/60/71/61/607607161.db2.gz MWJBIDNQUAMLAB-CYBMUJFWSA-N -1 1 389.412 2.035 20 0 GEADMM Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826294261 607607163 /nfs/dbraw/zinc/60/71/63/607607163.db2.gz MWJBIDNQUAMLAB-CYBMUJFWSA-N -1 1 389.412 2.035 20 0 GEADMM Cc1ccc(NC(=O)N(C)C)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826291227 607607636 /nfs/dbraw/zinc/60/76/36/607607636.db2.gz VIHMOUADYIPMRG-UHFFFAOYSA-N -1 1 381.396 2.021 20 0 GEADMM Cc1ccc(NC(=O)N(C)C)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826291227 607607638 /nfs/dbraw/zinc/60/76/38/607607638.db2.gz VIHMOUADYIPMRG-UHFFFAOYSA-N -1 1 381.396 2.021 20 0 GEADMM Cc1ccccc1OCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826307509 607609354 /nfs/dbraw/zinc/60/93/54/607609354.db2.gz LCVVFNSMIUKSHP-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM Cc1ccccc1OCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826307509 607609355 /nfs/dbraw/zinc/60/93/55/607609355.db2.gz LCVVFNSMIUKSHP-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM O=S(=O)(N[C@H]1CCc2ccc(F)cc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489580 607611303 /nfs/dbraw/zinc/61/13/03/607611303.db2.gz USWWUOOILVDSLX-AWEZNQCLSA-N -1 1 377.376 2.111 20 0 GEADMM COc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826179922 607611611 /nfs/dbraw/zinc/61/16/11/607611611.db2.gz KXUBENBXJVESQK-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@@H]2CCCCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739893774 603182954 /nfs/dbraw/zinc/18/29/54/603182954.db2.gz LWCSYSPXVAZZDH-ZWKOTPCHSA-N -1 1 375.469 2.481 20 0 GEADMM CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000825744954 607613075 /nfs/dbraw/zinc/61/30/75/607613075.db2.gz HFUMJOWMLINFQY-MRVPVSSYSA-N -1 1 382.446 2.064 20 0 GEADMM CCc1nc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000825745563 607613347 /nfs/dbraw/zinc/61/33/47/607613347.db2.gz NMISMATYHOHGNV-MRVPVSSYSA-N -1 1 382.446 2.064 20 0 GEADMM CCc1nc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000825745563 607613348 /nfs/dbraw/zinc/61/33/48/607613348.db2.gz NMISMATYHOHGNV-MRVPVSSYSA-N -1 1 382.446 2.064 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(OCc2ccccc2)CCOCC1 ZINC000826467119 607614500 /nfs/dbraw/zinc/61/45/00/607614500.db2.gz IAGBFDSQTMKBNK-UHFFFAOYSA-N -1 1 395.419 2.071 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(OCc2ccccc2)CCOCC1 ZINC000826467119 607614501 /nfs/dbraw/zinc/61/45/01/607614501.db2.gz IAGBFDSQTMKBNK-UHFFFAOYSA-N -1 1 395.419 2.071 20 0 GEADMM Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826339305 607615360 /nfs/dbraw/zinc/61/53/60/607615360.db2.gz ZDUKSEMGMCIOOJ-MRVPVSSYSA-N -1 1 382.833 2.164 20 0 GEADMM Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826339305 607615361 /nfs/dbraw/zinc/61/53/61/607615361.db2.gz ZDUKSEMGMCIOOJ-MRVPVSSYSA-N -1 1 382.833 2.164 20 0 GEADMM CCN(Cc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1)C(=O)[O-] ZINC000827172673 603240648 /nfs/dbraw/zinc/24/06/48/603240648.db2.gz ZUBLJCKJNFDUSR-UHFFFAOYSA-N -1 1 381.410 2.102 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)CCCNC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739180239 603281772 /nfs/dbraw/zinc/28/17/72/603281772.db2.gz DTGMWYKAJYNDGB-HZPDHXFCSA-N -1 1 392.500 2.095 20 0 GEADMM Cc1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826287628 607621392 /nfs/dbraw/zinc/62/13/92/607621392.db2.gz WSCQYORTHQKLMY-SECBINFHSA-N -1 1 381.458 2.285 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000825427775 603364019 /nfs/dbraw/zinc/36/40/19/603364019.db2.gz ZAYLEFOJNGSMRQ-MAUKXSAKSA-N -1 1 391.516 2.409 20 0 GEADMM CCN(CC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1)C(=O)[O-] ZINC000739456115 603386506 /nfs/dbraw/zinc/38/65/06/603386506.db2.gz LZWGZDPXOUMIGC-CQSZACIVSA-N -1 1 380.464 2.145 20 0 GEADMM C[C@H](O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000824708055 607627990 /nfs/dbraw/zinc/62/79/90/607627990.db2.gz WNSYCQPCQNWLFB-JTQLQIEISA-N -1 1 393.856 2.052 20 0 GEADMM C[C@H](O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000824708055 607627991 /nfs/dbraw/zinc/62/79/91/607627991.db2.gz WNSYCQPCQNWLFB-JTQLQIEISA-N -1 1 393.856 2.052 20 0 GEADMM O=C([O-])N[C@@H](CCC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000832118717 603476226 /nfs/dbraw/zinc/47/62/26/603476226.db2.gz BWDPICVKOKYCGG-SFHVURJKSA-N -1 1 375.469 2.099 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000832323790 603528239 /nfs/dbraw/zinc/52/82/39/603528239.db2.gz GICIDURSQAHBDF-SJORKVTESA-N -1 1 381.517 2.212 20 0 GEADMM C[C@@H]1CCC[C@H](N(C)CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889045 603593418 /nfs/dbraw/zinc/59/34/18/603593418.db2.gz SPCIVRCGVKGDIV-QZNHQWIBSA-N -1 1 380.489 2.203 20 0 GEADMM CCC(CC)N(CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C1CC1 ZINC000826572703 603593711 /nfs/dbraw/zinc/59/37/11/603593711.db2.gz ZNAVCAWVTXQPEV-DJJJIMSYSA-N -1 1 380.489 2.345 20 0 GEADMM CC(C)C[C@@H]1CCCN1CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000824226189 603596755 /nfs/dbraw/zinc/59/67/55/603596755.db2.gz ZOZXHXUNLHCMOR-ZRGWGRIASA-N -1 1 380.489 2.203 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711452 603624197 /nfs/dbraw/zinc/62/41/97/603624197.db2.gz CJJVEXAQVBPIDK-AWEZNQCLSA-N -1 1 390.484 2.366 20 0 GEADMM Cc1cccc([C@@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826296235 607644096 /nfs/dbraw/zinc/64/40/96/607644096.db2.gz OJBSABLKAKZEFW-LBPRGKRZSA-N -1 1 375.429 2.396 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000832506556 603699737 /nfs/dbraw/zinc/69/97/37/603699737.db2.gz QSALYEZKIGPEQO-QAPCUYQASA-N -1 1 389.500 2.172 20 0 GEADMM O=C([O-])N1CC(CC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000831355250 603799811 /nfs/dbraw/zinc/79/98/11/603799811.db2.gz JVMAOSWNMODKFJ-HNNXBMFYSA-N -1 1 385.386 2.396 20 0 GEADMM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000824175804 603800272 /nfs/dbraw/zinc/80/02/72/603800272.db2.gz FHFUOUQVYWPVSC-OAQYLSRUSA-N -1 1 390.528 2.236 20 0 GEADMM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000824176216 603800915 /nfs/dbraw/zinc/80/09/15/603800915.db2.gz KGBWTKXDICNLKS-OAQYLSRUSA-N -1 1 390.528 2.236 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NC1CCN(Cc3ccccn3)CC1)C2 ZINC000831303945 603848700 /nfs/dbraw/zinc/84/87/00/603848700.db2.gz HXCFBKIEIVWYDN-QNBRMCRTSA-N -1 1 386.496 2.473 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@]3(C)CCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000826059729 603879252 /nfs/dbraw/zinc/87/92/52/603879252.db2.gz ZDHRBZDXOUVVDI-WHSLLNHNSA-N -1 1 389.496 2.302 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])N(C)C)c1 ZINC000829543018 603890631 /nfs/dbraw/zinc/89/06/31/603890631.db2.gz CGYDCGWUHPZWPH-WBVHZDCISA-N -1 1 378.473 2.082 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000824640805 607658766 /nfs/dbraw/zinc/65/87/66/607658766.db2.gz PIZXSWVDHNTQPK-VXGBXAGGSA-N -1 1 375.429 2.476 20 0 GEADMM CCO[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000825576842 607658788 /nfs/dbraw/zinc/65/87/88/607658788.db2.gz OMSCHXHDYIUYAD-LBPRGKRZSA-N -1 1 387.893 2.250 20 0 GEADMM CCO[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000825576842 607658790 /nfs/dbraw/zinc/65/87/90/607658790.db2.gz OMSCHXHDYIUYAD-LBPRGKRZSA-N -1 1 387.893 2.250 20 0 GEADMM C[C@H](Oc1cccnc1)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000825617749 603908386 /nfs/dbraw/zinc/90/83/86/603908386.db2.gz RTRLSICZUUQLSC-NSHDSACASA-N -1 1 382.380 2.040 20 0 GEADMM C[C@H](Oc1cccnc1)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000825617749 603908388 /nfs/dbraw/zinc/90/83/88/603908388.db2.gz RTRLSICZUUQLSC-NSHDSACASA-N -1 1 382.380 2.040 20 0 GEADMM CCc1nc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cs1 ZINC000827632776 603912748 /nfs/dbraw/zinc/91/27/48/603912748.db2.gz SLPUCLYBCGAPKV-UHFFFAOYSA-N -1 1 386.437 2.439 20 0 GEADMM CCc1nc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cs1 ZINC000827632776 603912750 /nfs/dbraw/zinc/91/27/50/603912750.db2.gz SLPUCLYBCGAPKV-UHFFFAOYSA-N -1 1 386.437 2.439 20 0 GEADMM Cn1ncc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1C(F)F ZINC000831054824 603913804 /nfs/dbraw/zinc/91/38/04/603913804.db2.gz KOPODNJTMVXNGK-UHFFFAOYSA-N -1 1 391.338 2.163 20 0 GEADMM Cn1ncc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1C(F)F ZINC000831054824 603913806 /nfs/dbraw/zinc/91/38/06/603913806.db2.gz KOPODNJTMVXNGK-UHFFFAOYSA-N -1 1 391.338 2.163 20 0 GEADMM CCS[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825669030 607662445 /nfs/dbraw/zinc/66/24/45/607662445.db2.gz OMLBWYWFWVTWTL-WDEREUQCSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825669030 607662447 /nfs/dbraw/zinc/66/24/47/607662447.db2.gz OMLBWYWFWVTWTL-WDEREUQCSA-N -1 1 385.490 2.348 20 0 GEADMM CC(C)CNC(=O)c1ccccc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000824269167 603982054 /nfs/dbraw/zinc/98/20/54/603982054.db2.gz XEEXFZHCRXYMJW-UHFFFAOYSA-N -1 1 390.484 2.085 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1cccc2c1CCN2C(=O)[O-])N1CCN(C)CC1 ZINC000824123014 603991202 /nfs/dbraw/zinc/99/12/02/603991202.db2.gz MCQMAGUNBQADBL-GOSISDBHSA-N -1 1 389.500 2.121 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000827418212 604014669 /nfs/dbraw/zinc/01/46/69/604014669.db2.gz KORPLEJCOHRUHM-KRWDZBQOSA-N -1 1 378.473 2.068 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2N2CCN(C)CC2)C1 ZINC000825237281 604061571 /nfs/dbraw/zinc/06/15/71/604061571.db2.gz SRXYFXIQHICLGO-HOTGVXAUSA-N -1 1 389.500 2.338 20 0 GEADMM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000826059430 604090834 /nfs/dbraw/zinc/09/08/34/604090834.db2.gz UUHFWDHMMWLLJI-OAGGEKHMSA-N -1 1 377.485 2.158 20 0 GEADMM O=S(=O)(N[C@H]1COc2c1cccc2Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489660 607671250 /nfs/dbraw/zinc/67/12/50/607671250.db2.gz WRHNVFUWJSRJOE-NSHDSACASA-N -1 1 395.803 2.071 20 0 GEADMM O=S(=O)(N[C@H]1COc2c1cccc2Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489660 607671251 /nfs/dbraw/zinc/67/12/51/607671251.db2.gz WRHNVFUWJSRJOE-NSHDSACASA-N -1 1 395.803 2.071 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000825217484 604111964 /nfs/dbraw/zinc/11/19/64/604111964.db2.gz GAWZFFFLGPVJDF-HOTGVXAUSA-N -1 1 389.500 2.124 20 0 GEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825171198 607674978 /nfs/dbraw/zinc/67/49/78/607674978.db2.gz MTFGTLBNKPVKEJ-HUUCEWRRSA-N -1 1 397.476 2.220 20 0 GEADMM Cc1cccc(C)c1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826297116 607675340 /nfs/dbraw/zinc/67/53/40/607675340.db2.gz VVCMZQKTVKEWNP-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000825254384 604161303 /nfs/dbraw/zinc/16/13/03/604161303.db2.gz MHAJNBUWCVUDAF-LSDHHAIUSA-N -1 1 384.480 2.421 20 0 GEADMM O=S(=O)(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490812 607677153 /nfs/dbraw/zinc/67/71/53/607677153.db2.gz INXVNDAHCLERES-AAEUAGOBSA-N -1 1 399.904 2.130 20 0 GEADMM O=S(=O)(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490812 607677155 /nfs/dbraw/zinc/67/71/55/607677155.db2.gz INXVNDAHCLERES-AAEUAGOBSA-N -1 1 399.904 2.130 20 0 GEADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000823618597 604182922 /nfs/dbraw/zinc/18/29/22/604182922.db2.gz YECJAUHIYRNKHJ-YDHLFZDLSA-N -1 1 376.457 2.340 20 0 GEADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000823618596 604183199 /nfs/dbraw/zinc/18/31/99/604183199.db2.gz YECJAUHIYRNKHJ-VNHYZAJKSA-N -1 1 376.457 2.340 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000829490590 604190608 /nfs/dbraw/zinc/19/06/08/604190608.db2.gz ZSZSTPDDQPLYAD-QLFBSQMISA-N -1 1 393.484 2.249 20 0 GEADMM CCC(CC)[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)OC ZINC000825097407 607679485 /nfs/dbraw/zinc/67/94/85/607679485.db2.gz WLEJIRMCFLWXKC-CYBMUJFWSA-N -1 1 385.465 2.125 20 0 GEADMM CCC(CC)[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)OC ZINC000825097407 607679487 /nfs/dbraw/zinc/67/94/87/607679487.db2.gz WLEJIRMCFLWXKC-CYBMUJFWSA-N -1 1 385.465 2.125 20 0 GEADMM CN1CCCC[C@H]1C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000830940262 604344549 /nfs/dbraw/zinc/34/45/49/604344549.db2.gz DXUCFDGZONZZMZ-IRXDYDNUSA-N -1 1 379.888 2.094 20 0 GEADMM C[C@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824678300 604360107 /nfs/dbraw/zinc/36/01/07/604360107.db2.gz BBUXNMXWOLETIT-UKRRQHHQSA-N -1 1 390.484 2.202 20 0 GEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000827042498 604423408 /nfs/dbraw/zinc/42/34/08/604423408.db2.gz SNJPTZVOHOZHEU-ZDUSSCGKSA-N -1 1 386.408 2.027 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826885612 604455870 /nfs/dbraw/zinc/45/58/70/604455870.db2.gz DGSHBWWFCJZBBZ-ZWKOTPCHSA-N -1 1 391.512 2.495 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000833638611 604475133 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O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@H](c1ccco1)N1CCCCC1 ZINC000831408254 605576847 /nfs/dbraw/zinc/57/68/47/605576847.db2.gz LPYHUWKWDLVEJY-HUUCEWRRSA-N -1 1 381.498 2.408 20 0 GEADMM O=C([O-])N1CC[C@H](N(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C2CC2)C1 ZINC000831928279 605600707 /nfs/dbraw/zinc/60/07/07/605600707.db2.gz LAJPWCCPPOTLDY-HOTGVXAUSA-N -1 1 376.457 2.343 20 0 GEADMM O=C([O-])Nc1cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)ccc1F ZINC000834253039 605622918 /nfs/dbraw/zinc/62/29/18/605622918.db2.gz DOKFSACVUNYKDW-MRXNPFEDSA-N -1 1 387.411 2.065 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833788951 605651345 /nfs/dbraw/zinc/65/13/45/605651345.db2.gz FCKJERBEVIGEBM-CQSZACIVSA-N -1 1 391.468 2.497 20 0 GEADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000834053098 605661864 /nfs/dbraw/zinc/66/18/64/605661864.db2.gz QOCDUMYVVMYDMQ-HOTGVXAUSA-N -1 1 393.403 2.190 20 0 GEADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000834053098 605661866 /nfs/dbraw/zinc/66/18/66/605661866.db2.gz QOCDUMYVVMYDMQ-HOTGVXAUSA-N -1 1 393.403 2.190 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CN(CCC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000833817150 605675004 /nfs/dbraw/zinc/67/50/04/605675004.db2.gz GJOPLRHIOLJFLS-HOCLYGCPSA-N -1 1 385.505 2.381 20 0 GEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000834028104 605685742 /nfs/dbraw/zinc/68/57/42/605685742.db2.gz RIQUQIVVKTUDGH-GUYCJALGSA-N -1 1 381.423 2.435 20 0 GEADMM Cc1cc(C[C@H](C)NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830028589 605805552 /nfs/dbraw/zinc/80/55/52/605805552.db2.gz ALPCODWQVZKNPO-AWEZNQCLSA-N -1 1 385.468 2.390 20 0 GEADMM O=C([O-])NC1CCC(C(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000834162593 605817083 /nfs/dbraw/zinc/81/70/83/605817083.db2.gz FZEKXOUXNKXJGT-UHFFFAOYSA-N -1 1 381.517 2.164 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834211172 605822490 /nfs/dbraw/zinc/82/24/90/605822490.db2.gz ACHKXSGHSBEIMD-RRFJBIMHSA-N -1 1 390.488 2.398 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834211171 605822579 /nfs/dbraw/zinc/82/25/79/605822579.db2.gz ACHKXSGHSBEIMD-KKUMJFAQSA-N -1 1 390.488 2.398 20 0 GEADMM O=C([O-])NC1CCC(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834164296 605822910 /nfs/dbraw/zinc/82/29/10/605822910.db2.gz NTJUPUGRKPZNJT-IYXRBSQSSA-N -1 1 376.461 2.150 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cnc4n3CCCC4)cc2)n1 ZINC000834246412 605840294 /nfs/dbraw/zinc/84/02/94/605840294.db2.gz APEKFANLKKAJGN-UHFFFAOYSA-N -1 1 381.396 2.024 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cnc4n3CCCC4)cc2)n[nH]1 ZINC000834246412 605840295 /nfs/dbraw/zinc/84/02/95/605840295.db2.gz APEKFANLKKAJGN-UHFFFAOYSA-N -1 1 381.396 2.024 20 0 GEADMM O=C(CCC1CCN(C(=O)[O-])CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000833991585 606000022 /nfs/dbraw/zinc/00/00/22/606000022.db2.gz OCHJQPRWSYSGAA-UHFFFAOYSA-N -1 1 381.517 2.308 20 0 GEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000834131301 606031717 /nfs/dbraw/zinc/03/17/17/606031717.db2.gz TWCSIOGERVOSDX-CYBMUJFWSA-N -1 1 393.394 2.469 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000819971054 606064200 /nfs/dbraw/zinc/06/42/00/606064200.db2.gz CLORYVZQVIRTCH-LLVKDONJSA-N -1 1 398.402 2.022 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000819971054 606064204 /nfs/dbraw/zinc/06/42/04/606064204.db2.gz CLORYVZQVIRTCH-LLVKDONJSA-N -1 1 398.402 2.022 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000819971074 606064433 /nfs/dbraw/zinc/06/44/33/606064433.db2.gz CTPLKUOAAMASJI-UHFFFAOYSA-N -1 1 391.439 2.315 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000819971074 606064438 /nfs/dbraw/zinc/06/44/38/606064438.db2.gz CTPLKUOAAMASJI-UHFFFAOYSA-N -1 1 391.439 2.315 20 0 GEADMM O=S(=O)(CCCF)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823556901 606123436 /nfs/dbraw/zinc/12/34/36/606123436.db2.gz BDWILYWSALCMSA-UHFFFAOYSA-N -1 1 381.458 2.374 20 0 GEADMM O=C(COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCC1 ZINC000823396617 606130350 /nfs/dbraw/zinc/13/03/50/606130350.db2.gz LRXYVEBETDWNOS-UHFFFAOYSA-N -1 1 397.366 2.187 20 0 GEADMM O=C(COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCC1 ZINC000823396617 606130351 /nfs/dbraw/zinc/13/03/51/606130351.db2.gz LRXYVEBETDWNOS-UHFFFAOYSA-N -1 1 397.366 2.187 20 0 GEADMM CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819818048 606135538 /nfs/dbraw/zinc/13/55/38/606135538.db2.gz OUFQSKIVFACTOT-VIFPVBQESA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819818048 606135539 /nfs/dbraw/zinc/13/55/39/606135539.db2.gz OUFQSKIVFACTOT-VIFPVBQESA-N -1 1 385.405 2.315 20 0 GEADMM O=C(CNc1cccc(-c2nnn[n-]2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000823014149 606140049 /nfs/dbraw/zinc/14/00/49/606140049.db2.gz HTYHLMVUPOSNKI-UHFFFAOYSA-N -1 1 377.452 2.155 20 0 GEADMM O=C(CNc1cccc(-c2nn[n-]n2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000823014149 606140051 /nfs/dbraw/zinc/14/00/51/606140051.db2.gz HTYHLMVUPOSNKI-UHFFFAOYSA-N -1 1 377.452 2.155 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1C[C@H](OCC)C1(C)C ZINC000821083270 606162108 /nfs/dbraw/zinc/16/21/08/606162108.db2.gz WOTIYUJWZCKRBH-STQMWFEESA-N -1 1 376.465 2.048 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1C[C@H](OCC)C1(C)C ZINC000821083270 606162110 /nfs/dbraw/zinc/16/21/10/606162110.db2.gz WOTIYUJWZCKRBH-STQMWFEESA-N -1 1 376.465 2.048 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000822619566 606166466 /nfs/dbraw/zinc/16/64/66/606166466.db2.gz AQJOBWBCBQCGSP-UHFFFAOYSA-N -1 1 385.819 2.099 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000822619566 606166467 /nfs/dbraw/zinc/16/64/67/606166467.db2.gz AQJOBWBCBQCGSP-UHFFFAOYSA-N -1 1 385.819 2.099 20 0 GEADMM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820288658 606171514 /nfs/dbraw/zinc/17/15/14/606171514.db2.gz WOMWKBTTZWGJIM-LBPRGKRZSA-N -1 1 398.471 2.487 20 0 GEADMM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820288658 606171516 /nfs/dbraw/zinc/17/15/16/606171516.db2.gz WOMWKBTTZWGJIM-LBPRGKRZSA-N -1 1 398.471 2.487 20 0 GEADMM Cn1ccnc1SCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])o1 ZINC000822698811 606197083 /nfs/dbraw/zinc/19/70/83/606197083.db2.gz GLORIDFIXZDIGE-UHFFFAOYSA-N -1 1 397.420 2.443 20 0 GEADMM O=C(c1cc(F)ccc1[O-])N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000823472410 606197816 /nfs/dbraw/zinc/19/78/16/606197816.db2.gz LEKFRACOPXATSL-UHFFFAOYSA-N -1 1 382.399 2.064 20 0 GEADMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821688678 606203760 /nfs/dbraw/zinc/20/37/60/606203760.db2.gz VPLGBRLVAPKQHB-UHFFFAOYSA-N -1 1 389.437 2.083 20 0 GEADMM Cc1nc(C)c(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)s1 ZINC000822431795 606273843 /nfs/dbraw/zinc/27/38/43/606273843.db2.gz KATPRQAKXMXYCT-UHFFFAOYSA-N -1 1 397.468 2.171 20 0 GEADMM Cc1nc(C)c(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)s1 ZINC000822431795 606273844 /nfs/dbraw/zinc/27/38/44/606273844.db2.gz KATPRQAKXMXYCT-UHFFFAOYSA-N -1 1 397.468 2.171 20 0 GEADMM COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821911545 606295204 /nfs/dbraw/zinc/29/52/04/606295204.db2.gz XPSLLINVBPDZKO-UHFFFAOYSA-N -1 1 377.364 2.019 20 0 GEADMM CCCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821066600 606393387 /nfs/dbraw/zinc/39/33/87/606393387.db2.gz VDWNGXYSYKKBEH-CQSZACIVSA-N -1 1 389.485 2.157 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1 ZINC000820633672 606395356 /nfs/dbraw/zinc/39/53/56/606395356.db2.gz CPJKNYQPNPYJKW-AWEZNQCLSA-N -1 1 399.411 2.334 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1Cl ZINC000820445374 606433607 /nfs/dbraw/zinc/43/36/07/606433607.db2.gz PBOOPCMUQPKOAF-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1Cl ZINC000820445374 606433609 /nfs/dbraw/zinc/43/36/09/606433609.db2.gz PBOOPCMUQPKOAF-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821066143 606458715 /nfs/dbraw/zinc/45/87/15/606458715.db2.gz QXMNYUCTUOPGKV-RYUDHWBXSA-N -1 1 377.880 2.436 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821066143 606458716 /nfs/dbraw/zinc/45/87/16/606458716.db2.gz QXMNYUCTUOPGKV-RYUDHWBXSA-N -1 1 377.880 2.436 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823606543 606474229 /nfs/dbraw/zinc/47/42/29/606474229.db2.gz KSKHYMRZXSTNSH-NWDGAFQWSA-N -1 1 383.474 2.055 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823606543 606474231 /nfs/dbraw/zinc/47/42/31/606474231.db2.gz KSKHYMRZXSTNSH-NWDGAFQWSA-N -1 1 383.474 2.055 20 0 GEADMM O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372906 606497609 /nfs/dbraw/zinc/49/76/09/606497609.db2.gz NBAHKAINAJZZMJ-NSHDSACASA-N -1 1 398.448 2.089 20 0 GEADMM O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372906 606497611 /nfs/dbraw/zinc/49/76/11/606497611.db2.gz NBAHKAINAJZZMJ-NSHDSACASA-N -1 1 398.448 2.089 20 0 GEADMM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823347361 606510968 /nfs/dbraw/zinc/51/09/68/606510968.db2.gz WOIWCRVUHNLWKH-UHFFFAOYSA-N -1 1 382.405 2.224 20 0 GEADMM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823347361 606510969 /nfs/dbraw/zinc/51/09/69/606510969.db2.gz WOIWCRVUHNLWKH-UHFFFAOYSA-N -1 1 382.405 2.224 20 0 GEADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821708667 606511620 /nfs/dbraw/zinc/51/16/20/606511620.db2.gz VNRKMKFMEZZACR-VIFPVBQESA-N -1 1 389.437 2.445 20 0 GEADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821708667 606511621 /nfs/dbraw/zinc/51/16/21/606511621.db2.gz VNRKMKFMEZZACR-VIFPVBQESA-N -1 1 389.437 2.445 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N[C@@H]1CCCc2ccccc21 ZINC000823027153 606515372 /nfs/dbraw/zinc/51/53/72/606515372.db2.gz OFYWNOUSLWGEOS-CYBMUJFWSA-N -1 1 383.433 2.279 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N[C@@H]1CCCc2ccccc21 ZINC000823027153 606515373 /nfs/dbraw/zinc/51/53/73/606515373.db2.gz OFYWNOUSLWGEOS-CYBMUJFWSA-N -1 1 383.433 2.279 20 0 GEADMM CC(C)NC(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000820137903 606518307 /nfs/dbraw/zinc/51/83/07/606518307.db2.gz PYHAMKIUGFZGNE-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM CC(C)NC(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000820137903 606518309 /nfs/dbraw/zinc/51/83/09/606518309.db2.gz PYHAMKIUGFZGNE-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261341 606530173 /nfs/dbraw/zinc/53/01/73/606530173.db2.gz HXILXFLEYKKLJJ-UHFFFAOYSA-N -1 1 397.464 2.486 20 0 GEADMM O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261341 606530174 /nfs/dbraw/zinc/53/01/74/606530174.db2.gz HXILXFLEYKKLJJ-UHFFFAOYSA-N -1 1 397.464 2.486 20 0 GEADMM O=C(NCc1ccc(N2CCCCC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823254074 606531962 /nfs/dbraw/zinc/53/19/62/606531962.db2.gz OUYVVLPSMXERFG-UHFFFAOYSA-N -1 1 382.449 2.375 20 0 GEADMM O=C(NCc1ccc(N2CCCCC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823254074 606531964 /nfs/dbraw/zinc/53/19/64/606531964.db2.gz OUYVVLPSMXERFG-UHFFFAOYSA-N -1 1 382.449 2.375 20 0 GEADMM O=C(NCCOc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823215488 606538559 /nfs/dbraw/zinc/53/85/59/606538559.db2.gz PFKQBEXKRJDVHS-UHFFFAOYSA-N -1 1 394.254 2.500 20 0 GEADMM O=C(NCCOc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823215488 606538561 /nfs/dbraw/zinc/53/85/61/606538561.db2.gz PFKQBEXKRJDVHS-UHFFFAOYSA-N -1 1 394.254 2.500 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1noc(Cc2ccccc2)n1 ZINC000820397014 606545938 /nfs/dbraw/zinc/54/59/38/606545938.db2.gz KHYAYWARKQJOPI-JTQLQIEISA-N -1 1 381.421 2.393 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1noc(Cc2ccccc2)n1 ZINC000820397014 606545940 /nfs/dbraw/zinc/54/59/40/606545940.db2.gz KHYAYWARKQJOPI-JTQLQIEISA-N -1 1 381.421 2.393 20 0 GEADMM Cc1csc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@H]2C)n1 ZINC000822414431 606568616 /nfs/dbraw/zinc/56/86/16/606568616.db2.gz FNJIWIZVPFBVBH-SNVBAGLBSA-N -1 1 375.483 2.044 20 0 GEADMM Cc1csc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@H]2C)n1 ZINC000822414431 606568617 /nfs/dbraw/zinc/56/86/17/606568617.db2.gz FNJIWIZVPFBVBH-SNVBAGLBSA-N -1 1 375.483 2.044 20 0 GEADMM COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821883148 606577561 /nfs/dbraw/zinc/57/75/61/606577561.db2.gz QUFJTCVKWZENFF-VIFPVBQESA-N -1 1 397.420 2.478 20 0 GEADMM COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821883148 606577563 /nfs/dbraw/zinc/57/75/63/606577563.db2.gz QUFJTCVKWZENFF-VIFPVBQESA-N -1 1 397.420 2.478 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1N1CCOC1=O ZINC000821835986 606577954 /nfs/dbraw/zinc/57/79/54/606577954.db2.gz WGMKARDCNXDXDQ-UHFFFAOYSA-N -1 1 386.393 2.146 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1N1CCOC1=O ZINC000821835986 606577956 /nfs/dbraw/zinc/57/79/56/606577956.db2.gz WGMKARDCNXDXDQ-UHFFFAOYSA-N -1 1 386.393 2.146 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](C)c1ccncc1 ZINC000822535077 606587620 /nfs/dbraw/zinc/58/76/20/606587620.db2.gz GECPWNDIQZXJNO-GFCCVEGCSA-N -1 1 377.408 2.487 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](C)c1ccncc1 ZINC000822535077 606587621 /nfs/dbraw/zinc/58/76/21/606587621.db2.gz GECPWNDIQZXJNO-GFCCVEGCSA-N -1 1 377.408 2.487 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)Cc1ccncc1 ZINC000822535435 606588787 /nfs/dbraw/zinc/58/87/87/606588787.db2.gz RGSDMKWSKCYREB-GFCCVEGCSA-N -1 1 377.408 2.315 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)Cc1ccncc1 ZINC000822535435 606588788 /nfs/dbraw/zinc/58/87/88/606588788.db2.gz RGSDMKWSKCYREB-GFCCVEGCSA-N -1 1 377.408 2.315 20 0 GEADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000820821997 606633334 /nfs/dbraw/zinc/63/33/34/606633334.db2.gz WZAMYOUFKAYEJI-AAEUAGOBSA-N -1 1 389.460 2.434 20 0 GEADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000820821997 606633335 /nfs/dbraw/zinc/63/33/35/606633335.db2.gz WZAMYOUFKAYEJI-AAEUAGOBSA-N -1 1 389.460 2.434 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC(Cc3ccccc3C)C2)cc1-c1nn[n-]n1 ZINC000821970932 606642942 /nfs/dbraw/zinc/64/29/42/606642942.db2.gz UCRIIBDISDQOCX-UHFFFAOYSA-N -1 1 396.476 2.312 20 0 GEADMM CCOc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821416903 606647179 /nfs/dbraw/zinc/64/71/79/606647179.db2.gz FMLHQAFGQAPFMT-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM CCOc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821416903 606647180 /nfs/dbraw/zinc/64/71/80/606647180.db2.gz FMLHQAFGQAPFMT-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000823430751 606649654 /nfs/dbraw/zinc/64/96/54/606649654.db2.gz IZDWUGUTLQLMBT-SFHVURJKSA-N -1 1 392.419 2.059 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000823430751 606649655 /nfs/dbraw/zinc/64/96/55/606649655.db2.gz IZDWUGUTLQLMBT-SFHVURJKSA-N -1 1 392.419 2.059 20 0 GEADMM O=C(CCCNC(=O)OCc1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822958940 606651965 /nfs/dbraw/zinc/65/19/65/606651965.db2.gz OLOBJZDWSXZSOP-UHFFFAOYSA-N -1 1 396.407 2.012 20 0 GEADMM O=C(CCCNC(=O)OCc1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822958940 606651966 /nfs/dbraw/zinc/65/19/66/606651966.db2.gz OLOBJZDWSXZSOP-UHFFFAOYSA-N -1 1 396.407 2.012 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1csc(Nc2ccccn2)n1 ZINC000823440559 606652241 /nfs/dbraw/zinc/65/22/41/606652241.db2.gz ZICAFXMFYOMCTL-UHFFFAOYSA-N -1 1 380.393 2.214 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1csc(Nc2ccccn2)n1 ZINC000823440559 606652242 /nfs/dbraw/zinc/65/22/42/606652242.db2.gz ZICAFXMFYOMCTL-UHFFFAOYSA-N -1 1 380.393 2.214 20 0 GEADMM CCCN(CCC)C(=O)CCC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000821099987 606684341 /nfs/dbraw/zinc/68/43/41/606684341.db2.gz RHYULDNAHXJRFH-UHFFFAOYSA-N -1 1 390.492 2.186 20 0 GEADMM CCCN(CCC)C(=O)CCC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000821099987 606684342 /nfs/dbraw/zinc/68/43/42/606684342.db2.gz RHYULDNAHXJRFH-UHFFFAOYSA-N -1 1 390.492 2.186 20 0 GEADMM CCC1(CC)CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000820955984 606690911 /nfs/dbraw/zinc/69/09/11/606690911.db2.gz GOBUOHIVYHAKIQ-UHFFFAOYSA-N -1 1 396.499 2.498 20 0 GEADMM CCC1(CC)CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000820955984 606690912 /nfs/dbraw/zinc/69/09/12/606690912.db2.gz GOBUOHIVYHAKIQ-UHFFFAOYSA-N -1 1 396.499 2.498 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)cc2Br)n1 ZINC000822620218 606735455 /nfs/dbraw/zinc/73/54/55/606735455.db2.gz MGUDTNPIBDMHEL-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)cc2Br)n1 ZINC000822620218 606735456 /nfs/dbraw/zinc/73/54/56/606735456.db2.gz MGUDTNPIBDMHEL-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@@H](c3cccs3)C2)c(-c2nn[n-]n2)c1C ZINC000822548391 606755859 /nfs/dbraw/zinc/75/58/59/606755859.db2.gz KIGYGKZEFJBPSW-GFCCVEGCSA-N -1 1 388.453 2.150 20 0 GEADMM COc1cccc2c1N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CCC2 ZINC000821877865 606763146 /nfs/dbraw/zinc/76/31/46/606763146.db2.gz XQDWHXHDGBBUQH-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)cc1Cl ZINC000823392193 606764152 /nfs/dbraw/zinc/76/41/52/606764152.db2.gz MWFLZMAAAYZHNW-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000821601369 606796134 /nfs/dbraw/zinc/79/61/34/606796134.db2.gz DBNDQLOZHCOGGT-UHFFFAOYSA-N -1 1 381.469 2.365 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)CC(C)(C)C ZINC000820220284 606824209 /nfs/dbraw/zinc/82/42/09/606824209.db2.gz QCPVWSYULZHRST-UONOGXRCSA-N -1 1 386.504 2.156 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)CC(C)(C)C ZINC000820220284 606824210 /nfs/dbraw/zinc/82/42/10/606824210.db2.gz QCPVWSYULZHRST-UONOGXRCSA-N -1 1 386.504 2.156 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2sccc2C1 ZINC000823607786 606844585 /nfs/dbraw/zinc/84/45/85/606844585.db2.gz WZFKPWUKAYSXFK-UHFFFAOYSA-N -1 1 379.442 2.204 20 0 GEADMM COc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC000821827703 606867737 /nfs/dbraw/zinc/86/77/37/606867737.db2.gz IXTDHVPMEIFRHE-UHFFFAOYSA-N -1 1 397.819 2.493 20 0 GEADMM COc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1Cl ZINC000821827703 606867739 /nfs/dbraw/zinc/86/77/39/606867739.db2.gz IXTDHVPMEIFRHE-UHFFFAOYSA-N -1 1 397.819 2.493 20 0 GEADMM O=C1CCCCN1C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823525033 606881084 /nfs/dbraw/zinc/88/10/84/606881084.db2.gz FEHXYRDQAMUXKQ-UHFFFAOYSA-N -1 1 377.452 2.396 20 0 GEADMM O=C1CCCCN1C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823525033 606881086 /nfs/dbraw/zinc/88/10/86/606881086.db2.gz FEHXYRDQAMUXKQ-UHFFFAOYSA-N -1 1 377.452 2.396 20 0 GEADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CCC2 ZINC000821509711 606955452 /nfs/dbraw/zinc/95/54/52/606955452.db2.gz LRUIGXSHBMLDBQ-NSHDSACASA-N -1 1 387.473 2.160 20 0 GEADMM CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CCC2 ZINC000821509711 606955455 /nfs/dbraw/zinc/95/54/55/606955455.db2.gz LRUIGXSHBMLDBQ-NSHDSACASA-N -1 1 387.473 2.160 20 0 GEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CCC2 ZINC000821509708 606955720 /nfs/dbraw/zinc/95/57/20/606955720.db2.gz LRUIGXSHBMLDBQ-LLVKDONJSA-N -1 1 387.473 2.160 20 0 GEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CCC2 ZINC000821509708 606955721 /nfs/dbraw/zinc/95/57/21/606955721.db2.gz LRUIGXSHBMLDBQ-LLVKDONJSA-N -1 1 387.473 2.160 20 0 GEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822299574 607006291 /nfs/dbraw/zinc/00/62/91/607006291.db2.gz NLMNXRBFWGYZMA-INIZCTEOSA-N -1 1 388.428 2.235 20 0 GEADMM CC(C)(C)OC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000819945714 607048790 /nfs/dbraw/zinc/04/87/90/607048790.db2.gz ASBBESFNCPIKAT-UHFFFAOYSA-N -1 1 399.904 2.488 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000822614849 607070468 /nfs/dbraw/zinc/07/04/68/607070468.db2.gz UZVIXTRUMURYPL-LBPRGKRZSA-N -1 1 386.391 2.163 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000822614849 607070470 /nfs/dbraw/zinc/07/04/70/607070470.db2.gz UZVIXTRUMURYPL-LBPRGKRZSA-N -1 1 386.391 2.163 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820535175 607109548 /nfs/dbraw/zinc/10/95/48/607109548.db2.gz OEPLDQZUXHBLIW-ZETCQYMHSA-N -1 1 395.242 2.492 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820535175 607109550 /nfs/dbraw/zinc/10/95/50/607109550.db2.gz OEPLDQZUXHBLIW-ZETCQYMHSA-N -1 1 395.242 2.492 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1CCC1CCCC1 ZINC000823600080 607141936 /nfs/dbraw/zinc/14/19/36/607141936.db2.gz CLKFDNCSBREHQP-AWEZNQCLSA-N -1 1 376.486 2.385 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1CCC1CCCC1 ZINC000823600080 607141937 /nfs/dbraw/zinc/14/19/37/607141937.db2.gz CLKFDNCSBREHQP-AWEZNQCLSA-N -1 1 376.486 2.385 20 0 GEADMM Cc1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1F ZINC000822284599 607155946 /nfs/dbraw/zinc/15/59/46/607155946.db2.gz WQEVVKJMKLTQAL-UHFFFAOYSA-N -1 1 397.414 2.142 20 0 GEADMM Cc1ncsc1-c1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)no1 ZINC000822482319 607157672 /nfs/dbraw/zinc/15/76/72/607157672.db2.gz PNRUOOHYXNWUME-UHFFFAOYSA-N -1 1 392.404 2.045 20 0 GEADMM Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822505253 607161363 /nfs/dbraw/zinc/16/13/63/607161363.db2.gz FGTVQSCJNKBMEN-UHFFFAOYSA-N -1 1 391.313 2.249 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000823127285 607214399 /nfs/dbraw/zinc/21/43/99/607214399.db2.gz YXLKLBRMPQOCPT-OAHLLOKOSA-N -1 1 386.847 2.159 20 0 GEADMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1-c1nn[nH]n1 ZINC000825545195 607780922 /nfs/dbraw/zinc/78/09/22/607780922.db2.gz NDASEGPTSLGCHL-UHFFFAOYSA-N -1 1 398.379 2.402 20 0 GEADMM CC(=O)NC[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823994698 607837158 /nfs/dbraw/zinc/83/71/58/607837158.db2.gz MPCNBIBIUCQHCQ-LLVKDONJSA-N -1 1 399.382 2.480 20 0 GEADMM CC(=O)NC[C@@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823994698 607837159 /nfs/dbraw/zinc/83/71/59/607837159.db2.gz MPCNBIBIUCQHCQ-LLVKDONJSA-N -1 1 399.382 2.480 20 0 GEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010497 607849642 /nfs/dbraw/zinc/84/96/42/607849642.db2.gz LEKLOLIDNPEPEN-BBRMVZONSA-N -1 1 387.806 2.438 20 0 GEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010497 607849643 /nfs/dbraw/zinc/84/96/43/607849643.db2.gz LEKLOLIDNPEPEN-BBRMVZONSA-N -1 1 387.806 2.438 20 0 GEADMM CC1(NC(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000824832635 607861785 /nfs/dbraw/zinc/86/17/85/607861785.db2.gz ULWKQHFZNYITIJ-UHFFFAOYSA-N -1 1 397.439 2.390 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826231457 607863002 /nfs/dbraw/zinc/86/30/02/607863002.db2.gz MCOUVTNWGNKUHR-FZMZJTMJSA-N -1 1 388.497 2.094 20 0 GEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824938966 607864924 /nfs/dbraw/zinc/86/49/24/607864924.db2.gz XAQJOFZAGDPIFI-JSGCOSHPSA-N -1 1 377.420 2.096 20 0 GEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824938966 607864925 /nfs/dbraw/zinc/86/49/25/607864925.db2.gz XAQJOFZAGDPIFI-JSGCOSHPSA-N -1 1 377.420 2.096 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCc1ccc(OC(F)F)cc1 ZINC000826418789 607866500 /nfs/dbraw/zinc/86/65/00/607866500.db2.gz WOPNQUMFTARQGT-UHFFFAOYSA-N -1 1 393.325 2.302 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCc1ccc(OC(F)F)cc1 ZINC000826418789 607866501 /nfs/dbraw/zinc/86/65/01/607866501.db2.gz WOPNQUMFTARQGT-UHFFFAOYSA-N -1 1 393.325 2.302 20 0 GEADMM CCCc1cc(=O)[n-]c(SCc2cccc(C(=O)OC)c2-c2nn[nH]n2)n1 ZINC000825348557 607892074 /nfs/dbraw/zinc/89/20/74/607892074.db2.gz PWPCQIWAXBCIHF-UHFFFAOYSA-N -1 1 386.437 2.394 20 0 GEADMM C[C@H](C(=O)Nc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1)n1cccn1 ZINC000824045932 607896132 /nfs/dbraw/zinc/89/61/32/607896132.db2.gz PMCWUYVNBDJAOC-GFCCVEGCSA-N -1 1 375.396 2.402 20 0 GEADMM C[C@H](C(=O)Nc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1)n1cccn1 ZINC000824045932 607896133 /nfs/dbraw/zinc/89/61/33/607896133.db2.gz PMCWUYVNBDJAOC-GFCCVEGCSA-N -1 1 375.396 2.402 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2csc([C@@H]3CCCO3)n2)n1 ZINC000824148011 607927094 /nfs/dbraw/zinc/92/70/94/607927094.db2.gz KLCJJYRKFABDEQ-NSHDSACASA-N -1 1 388.457 2.379 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2csc([C@@H]3CCCO3)n2)n1 ZINC000824148011 607927095 /nfs/dbraw/zinc/92/70/95/607927095.db2.gz KLCJJYRKFABDEQ-NSHDSACASA-N -1 1 388.457 2.379 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1c(C)noc1C ZINC000825148656 607939152 /nfs/dbraw/zinc/93/91/52/607939152.db2.gz RMTQNGWVYBFZDG-NSHDSACASA-N -1 1 380.405 2.040 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1c(C)noc1C ZINC000825148656 607939153 /nfs/dbraw/zinc/93/91/53/607939153.db2.gz RMTQNGWVYBFZDG-NSHDSACASA-N -1 1 380.405 2.040 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1cn(C)cn1 ZINC000826272011 607972455 /nfs/dbraw/zinc/97/24/55/607972455.db2.gz RASMNWAGJYNHRG-UHFFFAOYSA-N -1 1 376.380 2.348 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824812123 607973323 /nfs/dbraw/zinc/97/33/23/607973323.db2.gz JOAFHHOAERECGX-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC[C@@H]1COC(C)(C)O1 ZINC000826340772 607993434 /nfs/dbraw/zinc/99/34/34/607993434.db2.gz KORNNOVCCGENCX-GFCCVEGCSA-N -1 1 387.396 2.257 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC[C@@H]1COC(C)(C)O1 ZINC000826340772 607993435 /nfs/dbraw/zinc/99/34/35/607993435.db2.gz KORNNOVCCGENCX-GFCCVEGCSA-N -1 1 387.396 2.257 20 0 GEADMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823882706 607997164 /nfs/dbraw/zinc/99/71/64/607997164.db2.gz BTNZMESFYWZCGZ-LLVKDONJSA-N -1 1 376.376 2.026 20 0 GEADMM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825044976 607997309 /nfs/dbraw/zinc/99/73/09/607997309.db2.gz WXKVOZHBNGRGGR-SFHVURJKSA-N -1 1 390.444 2.452 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2cncc(C)c2)c1-c1nn[n-]n1 ZINC000826231223 608076543 /nfs/dbraw/zinc/07/65/43/608076543.db2.gz CEMRXGRSIULVAG-UHFFFAOYSA-N -1 1 381.465 2.494 20 0 GEADMM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824764912 608098674 /nfs/dbraw/zinc/09/86/74/608098674.db2.gz ZVJIYSNICFDOGR-MRVPVSSYSA-N -1 1 386.466 2.329 20 0 GEADMM C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824764912 608098675 /nfs/dbraw/zinc/09/86/75/608098675.db2.gz ZVJIYSNICFDOGR-MRVPVSSYSA-N -1 1 386.466 2.329 20 0 GEADMM O=C(COc1ccccc1Br)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826419475 608118259 /nfs/dbraw/zinc/11/82/59/608118259.db2.gz ZDQDLWICXFPDNO-UHFFFAOYSA-N -1 1 390.197 2.146 20 0 GEADMM O=C(COc1ccccc1Br)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826419475 608118260 /nfs/dbraw/zinc/11/82/60/608118260.db2.gz ZDQDLWICXFPDNO-UHFFFAOYSA-N -1 1 390.197 2.146 20 0 GEADMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824465258 608123861 /nfs/dbraw/zinc/12/38/61/608123861.db2.gz NGNSVYGREMYGLQ-MRVPVSSYSA-N -1 1 388.844 2.187 20 0 GEADMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824465258 608123862 /nfs/dbraw/zinc/12/38/62/608123862.db2.gz NGNSVYGREMYGLQ-MRVPVSSYSA-N -1 1 388.844 2.187 20 0 GEADMM O=S(=O)(Oc1ccccc1-c1nccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826494114 608125395 /nfs/dbraw/zinc/12/53/95/608125395.db2.gz OXCOVNBKJYBRDX-UHFFFAOYSA-N -1 1 386.418 2.153 20 0 GEADMM O=S(=O)(Oc1ccccc1-c1nccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826494114 608125396 /nfs/dbraw/zinc/12/53/96/608125396.db2.gz OXCOVNBKJYBRDX-UHFFFAOYSA-N -1 1 386.418 2.153 20 0 GEADMM Cc1cc(C)cc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000826264496 608125971 /nfs/dbraw/zinc/12/59/71/608125971.db2.gz QJNGZVXNGXUJQV-AWEZNQCLSA-N -1 1 384.465 2.057 20 0 GEADMM Cc1cc(C)cc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000826264496 608125972 /nfs/dbraw/zinc/12/59/72/608125972.db2.gz QJNGZVXNGXUJQV-AWEZNQCLSA-N -1 1 384.465 2.057 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000826327523 608131969 /nfs/dbraw/zinc/13/19/69/608131969.db2.gz KWKLKALTZXHLLK-AWEZNQCLSA-N -1 1 396.499 2.353 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000826327523 608131970 /nfs/dbraw/zinc/13/19/70/608131970.db2.gz KWKLKALTZXHLLK-AWEZNQCLSA-N -1 1 396.499 2.353 20 0 GEADMM COCc1noc([C@@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000826165571 608144793 /nfs/dbraw/zinc/14/47/93/608144793.db2.gz BBSATQYZEMLZTM-SNVBAGLBSA-N -1 1 399.367 2.006 20 0 GEADMM COCc1noc([C@@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000826165571 608144794 /nfs/dbraw/zinc/14/47/94/608144794.db2.gz BBSATQYZEMLZTM-SNVBAGLBSA-N -1 1 399.367 2.006 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826231644 608167925 /nfs/dbraw/zinc/16/79/25/608167925.db2.gz UADDOHVRJYEJAZ-WDEREUQCSA-N -1 1 388.497 2.406 20 0 GEADMM O=C(NCCNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826438860 608174910 /nfs/dbraw/zinc/17/49/10/608174910.db2.gz TWBVQFMPIBHZMO-UHFFFAOYSA-N -1 1 384.252 2.472 20 0 GEADMM O=C(NCCNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826438860 608174911 /nfs/dbraw/zinc/17/49/11/608174911.db2.gz TWBVQFMPIBHZMO-UHFFFAOYSA-N -1 1 384.252 2.472 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000825285344 608178934 /nfs/dbraw/zinc/17/89/34/608178934.db2.gz RSOHOOFODMXUFA-VHSXEESVSA-N -1 1 383.909 2.498 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000825285344 608178936 /nfs/dbraw/zinc/17/89/36/608178936.db2.gz RSOHOOFODMXUFA-VHSXEESVSA-N -1 1 383.909 2.498 20 0 GEADMM Cc1ccncc1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826314591 608201453 /nfs/dbraw/zinc/20/14/53/608201453.db2.gz DIRWJYQJVOPRDT-CYBMUJFWSA-N -1 1 381.440 2.098 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)CCCO2 ZINC000826493422 608248099 /nfs/dbraw/zinc/24/80/99/608248099.db2.gz JTDSPNUMALGAIU-UHFFFAOYSA-N -1 1 376.369 2.099 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)CCCO2 ZINC000826493422 608248101 /nfs/dbraw/zinc/24/81/01/608248101.db2.gz JTDSPNUMALGAIU-UHFFFAOYSA-N -1 1 376.369 2.099 20 0 GEADMM NC(=O)CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826390699 608277598 /nfs/dbraw/zinc/27/75/98/608277598.db2.gz JHIIMSTYUUTXTA-UHFFFAOYSA-N -1 1 398.398 2.184 20 0 GEADMM NC(=O)CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826390699 608277600 /nfs/dbraw/zinc/27/76/00/608277600.db2.gz JHIIMSTYUUTXTA-UHFFFAOYSA-N -1 1 398.398 2.184 20 0 GEADMM CCc1cnccc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825739154 608303587 /nfs/dbraw/zinc/30/35/87/608303587.db2.gz AOJPPLZOKOQGQU-SNVBAGLBSA-N -1 1 376.417 2.003 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826356771 608306819 /nfs/dbraw/zinc/30/68/19/608306819.db2.gz FFXJJKMJIUUXTG-OAHLLOKOSA-N -1 1 393.386 2.045 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826356771 608306820 /nfs/dbraw/zinc/30/68/20/608306820.db2.gz FFXJJKMJIUUXTG-OAHLLOKOSA-N -1 1 393.386 2.045 20 0 GEADMM Cc1cccc([C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297016 608306974 /nfs/dbraw/zinc/30/69/74/608306974.db2.gz RUAGDWILGPEXPQ-MRXNPFEDSA-N -1 1 389.423 2.215 20 0 GEADMM Cc1cccc([C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826297016 608306976 /nfs/dbraw/zinc/30/69/76/608306976.db2.gz RUAGDWILGPEXPQ-MRXNPFEDSA-N -1 1 389.423 2.215 20 0 GEADMM CCc1cnccc1[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825734674 608330900 /nfs/dbraw/zinc/33/09/00/608330900.db2.gz MADBHOWXMUUXCT-ZDUSSCGKSA-N -1 1 395.467 2.352 20 0 GEADMM c1csc(CCNc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)c1 ZINC000826526102 608394754 /nfs/dbraw/zinc/39/47/54/608394754.db2.gz KXOLIAZQGCVYMQ-UHFFFAOYSA-N -1 1 389.495 2.376 20 0 GEADMM c1csc(CCNc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)c1 ZINC000826526102 608394757 /nfs/dbraw/zinc/39/47/57/608394757.db2.gz KXOLIAZQGCVYMQ-UHFFFAOYSA-N -1 1 389.495 2.376 20 0 GEADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccc(Br)cc1 ZINC000824426811 608425828 /nfs/dbraw/zinc/42/58/28/608425828.db2.gz IMIYGPMMRFTOSC-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccc(Br)cc1 ZINC000824426811 608425829 /nfs/dbraw/zinc/42/58/29/608425829.db2.gz IMIYGPMMRFTOSC-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM CCCN(C(=O)c1cccs1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825302112 608433704 /nfs/dbraw/zinc/43/37/04/608433704.db2.gz XHOFPAUJKWPICJ-UHFFFAOYSA-N -1 1 398.496 2.239 20 0 GEADMM CCCN(C(=O)c1cccs1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825302112 608433705 /nfs/dbraw/zinc/43/37/05/608433705.db2.gz XHOFPAUJKWPICJ-UHFFFAOYSA-N -1 1 398.496 2.239 20 0 GEADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824385144 608434061 /nfs/dbraw/zinc/43/40/61/608434061.db2.gz MVVVGTVIMVBNNR-CYBMUJFWSA-N -1 1 393.455 2.086 20 0 GEADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824385144 608434064 /nfs/dbraw/zinc/43/40/64/608434064.db2.gz MVVVGTVIMVBNNR-CYBMUJFWSA-N -1 1 393.455 2.086 20 0 GEADMM COc1ccc2nc(Cl)c(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)cc2c1 ZINC000826213873 608546154 /nfs/dbraw/zinc/54/61/54/608546154.db2.gz PRUKCZXTKMPXFI-UHFFFAOYSA-N -1 1 384.787 2.063 20 0 GEADMM COc1ccc2nc(Cl)c(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)cc2c1 ZINC000826213873 608546156 /nfs/dbraw/zinc/54/61/56/608546156.db2.gz PRUKCZXTKMPXFI-UHFFFAOYSA-N -1 1 384.787 2.063 20 0 GEADMM Cc1cc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826263474 608549380 /nfs/dbraw/zinc/54/93/80/608549380.db2.gz CPBLMSJWAZBXQZ-UHFFFAOYSA-N -1 1 383.460 2.194 20 0 GEADMM Cc1cc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826263474 608549381 /nfs/dbraw/zinc/54/93/81/608549381.db2.gz CPBLMSJWAZBXQZ-UHFFFAOYSA-N -1 1 383.460 2.194 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2cc(F)ccc2C1 ZINC000826232650 608559702 /nfs/dbraw/zinc/55/97/02/608559702.db2.gz BOSAGJIIKHHMNP-UHFFFAOYSA-N -1 1 396.426 2.241 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc2c(c1)COC2 ZINC000826233246 608560006 /nfs/dbraw/zinc/56/00/06/608560006.db2.gz ZKUPFFVAAGPROW-UHFFFAOYSA-N -1 1 380.408 2.186 20 0 GEADMM Cc1cc(C)c(C=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826263410 608560721 /nfs/dbraw/zinc/56/07/21/608560721.db2.gz ZYVYRXVPVZDAIG-FPLPWBNLSA-N -1 1 394.483 2.202 20 0 GEADMM Cc1cc(C)c(C=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826263410 608560722 /nfs/dbraw/zinc/56/07/22/608560722.db2.gz ZYVYRXVPVZDAIG-FPLPWBNLSA-N -1 1 394.483 2.202 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826190175 608710474 /nfs/dbraw/zinc/71/04/74/608710474.db2.gz RZRPXFBCYWTRPX-OAHLLOKOSA-N -1 1 382.424 2.380 20 0 GEADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000825961078 608724903 /nfs/dbraw/zinc/72/49/03/608724903.db2.gz AKIBOBJNDWZCRI-UHFFFAOYSA-N -1 1 379.323 2.422 20 0 GEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000825961078 608724904 /nfs/dbraw/zinc/72/49/04/608724904.db2.gz AKIBOBJNDWZCRI-UHFFFAOYSA-N -1 1 379.323 2.422 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826472236 608821369 /nfs/dbraw/zinc/82/13/69/608821369.db2.gz DDZYHJXAGVJAIU-BXKDBHETSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826472236 608821371 /nfs/dbraw/zinc/82/13/71/608821371.db2.gz DDZYHJXAGVJAIU-BXKDBHETSA-N -1 1 377.376 2.155 20 0 GEADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)s2)CCN1Cc1cccc(Cl)c1 ZINC000826481141 608841321 /nfs/dbraw/zinc/84/13/21/608841321.db2.gz ITDUWHXWMOXPMA-UHFFFAOYSA-N -1 1 388.884 2.426 20 0 GEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824506095 608842615 /nfs/dbraw/zinc/84/26/15/608842615.db2.gz LEYAOURGEKCZEO-AAEUAGOBSA-N -1 1 394.501 2.042 20 0 GEADMM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826323390 608861528 /nfs/dbraw/zinc/86/15/28/608861528.db2.gz CEUBLGDBDHZFEY-UHFFFAOYSA-N -1 1 394.464 2.425 20 0 GEADMM CC(=O)N(c1nc(Cn2ccnc2-c2nnn[n-]2)cs1)c1ccccc1F ZINC000823975297 608891255 /nfs/dbraw/zinc/89/12/55/608891255.db2.gz WMXLAOSPVNFDHC-UHFFFAOYSA-N -1 1 384.400 2.392 20 0 GEADMM CC(=O)N(c1nc(Cn2ccnc2-c2nn[n-]n2)cs1)c1ccccc1F ZINC000823975297 608891257 /nfs/dbraw/zinc/89/12/57/608891257.db2.gz WMXLAOSPVNFDHC-UHFFFAOYSA-N -1 1 384.400 2.392 20 0 GEADMM CC[C@H](C)[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825049509 609144715 /nfs/dbraw/zinc/14/47/15/609144715.db2.gz BUDBQKSALPADIE-STQMWFEESA-N -1 1 399.455 2.446 20 0 GEADMM C[C@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C[C@@H](C)C1 ZINC000824873978 609147203 /nfs/dbraw/zinc/14/72/03/609147203.db2.gz AQYVAPJBALDTOQ-NHAGDIPZSA-N -1 1 399.499 2.453 20 0 GEADMM CCCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825348412 609153425 /nfs/dbraw/zinc/15/34/25/609153425.db2.gz JINNQJLGCRYVRM-UHFFFAOYSA-N -1 1 383.460 2.221 20 0 GEADMM CCCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825348412 609153427 /nfs/dbraw/zinc/15/34/27/609153427.db2.gz JINNQJLGCRYVRM-UHFFFAOYSA-N -1 1 383.460 2.221 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC2(C1)CCCCC2 ZINC000826327578 609248835 /nfs/dbraw/zinc/24/88/35/609248835.db2.gz MWOKHQWIYQHXOD-UHFFFAOYSA-N -1 1 394.483 2.252 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC2(C1)CCCCC2 ZINC000826327578 609248836 /nfs/dbraw/zinc/24/88/36/609248836.db2.gz MWOKHQWIYQHXOD-UHFFFAOYSA-N -1 1 394.483 2.252 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826345566 609264582 /nfs/dbraw/zinc/26/45/82/609264582.db2.gz NWDCPFPQAFVPEA-VIFPVBQESA-N -1 1 394.357 2.472 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826345566 609264584 /nfs/dbraw/zinc/26/45/84/609264584.db2.gz NWDCPFPQAFVPEA-VIFPVBQESA-N -1 1 394.357 2.472 20 0 GEADMM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431308 609268254 /nfs/dbraw/zinc/26/82/54/609268254.db2.gz XMXGKGMPKUBZFE-OAHLLOKOSA-N -1 1 378.440 2.381 20 0 GEADMM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431308 609268256 /nfs/dbraw/zinc/26/82/56/609268256.db2.gz XMXGKGMPKUBZFE-OAHLLOKOSA-N -1 1 378.440 2.381 20 0 GEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824929117 609278838 /nfs/dbraw/zinc/27/88/38/609278838.db2.gz VZXSWALPKWUCTM-CHWSQXEVSA-N -1 1 398.446 2.393 20 0 GEADMM Fc1cccc(-n2ccc(NCc3nc(-c4ccco4)no3)n2)c1-c1nn[n-]n1 ZINC000826376699 609279660 /nfs/dbraw/zinc/27/96/60/609279660.db2.gz OAGGAKAZMKMPSP-UHFFFAOYSA-N -1 1 393.342 2.447 20 0 GEADMM COCc1cccc(OCC2(Cn3cccc(-c4nn[n-]n4)c3=O)CCC2)c1 ZINC000826164676 609280856 /nfs/dbraw/zinc/28/08/56/609280856.db2.gz KPYDUGFLSHACTA-UHFFFAOYSA-N -1 1 381.436 2.424 20 0 GEADMM Cc1ncc(Cl)c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826330123 609289722 /nfs/dbraw/zinc/28/97/22/609289722.db2.gz GRDHIPMCWTXYAU-UHFFFAOYSA-N -1 1 399.777 2.196 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccn(C(F)F)n1 ZINC000826458743 609289844 /nfs/dbraw/zinc/28/98/44/609289844.db2.gz DJQQSWAXKDVYCE-UHFFFAOYSA-N -1 1 389.301 2.035 20 0 GEADMM CC(C)n1ccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000824371911 609290784 /nfs/dbraw/zinc/29/07/84/609290784.db2.gz YFEOGTMVJWTZKJ-UHFFFAOYSA-N -1 1 395.402 2.150 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc(Cl)cn1 ZINC000826458282 609291668 /nfs/dbraw/zinc/29/16/68/609291668.db2.gz KJAVBAILAUEYSS-UHFFFAOYSA-N -1 1 384.762 2.492 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1csc2cncn21 ZINC000826459128 609291988 /nfs/dbraw/zinc/29/19/88/609291988.db2.gz VZTMDRGUVDQJSE-UHFFFAOYSA-N -1 1 395.383 2.153 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000826340666 609292893 /nfs/dbraw/zinc/29/28/93/609292893.db2.gz GXCYWHUFABTTLX-NSHDSACASA-N -1 1 392.366 2.403 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](OC(F)F)C1 ZINC000826340666 609292894 /nfs/dbraw/zinc/29/28/94/609292894.db2.gz GXCYWHUFABTTLX-NSHDSACASA-N -1 1 392.366 2.403 20 0 GEADMM Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](OC(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000826341562 609297669 /nfs/dbraw/zinc/29/76/69/609297669.db2.gz KNRXXAUDWVYLBB-GXSJLCMTSA-N -1 1 384.387 2.107 20 0 GEADMM CC(C)[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824193511 609298637 /nfs/dbraw/zinc/29/86/37/609298637.db2.gz ZHESCLPDIWSTAC-INIZCTEOSA-N -1 1 397.487 2.143 20 0 GEADMM CC(C)[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824193511 609298638 /nfs/dbraw/zinc/29/86/38/609298638.db2.gz ZHESCLPDIWSTAC-INIZCTEOSA-N -1 1 397.487 2.143 20 0 GEADMM Cc1n[nH]c(C)c1CCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826321822 609311684 /nfs/dbraw/zinc/31/16/84/609311684.db2.gz QQBFUVXGPVTINJ-UHFFFAOYSA-N -1 1 395.402 2.103 20 0 GEADMM Fc1cccc(-n2ccc(NCc3cnn4ccccc34)n2)c1-c1nn[n-]n1 ZINC000826376491 609320584 /nfs/dbraw/zinc/32/05/84/609320584.db2.gz GHPAKBYYSNSGQU-UHFFFAOYSA-N -1 1 375.371 2.451 20 0 GEADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccnc1 ZINC000824505237 609357683 /nfs/dbraw/zinc/35/76/83/609357683.db2.gz AECSNWPGAHKBLL-NSHDSACASA-N -1 1 393.386 2.469 20 0 GEADMM Cc1noc(C)c1N(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826338590 609361347 /nfs/dbraw/zinc/36/13/47/609361347.db2.gz ANBNFUDKPDXJDV-UHFFFAOYSA-N -1 1 397.374 2.465 20 0 GEADMM OCC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1Br ZINC000826509076 609383916 /nfs/dbraw/zinc/38/39/16/609383916.db2.gz KUXFHGZPEZCZED-ZDUSSCGKSA-N -1 1 378.230 2.436 20 0 GEADMM OCC[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1Br ZINC000826509076 609383918 /nfs/dbraw/zinc/38/39/18/609383918.db2.gz KUXFHGZPEZCZED-ZDUSSCGKSA-N -1 1 378.230 2.436 20 0 GEADMM Clc1ccc(-n2cc(CNc3n[nH]cc3-c3nnn[n-]3)nn2)cc1Cl ZINC000826351550 609449157 /nfs/dbraw/zinc/44/91/57/609449157.db2.gz QWBUQEQSJXKGME-UHFFFAOYSA-N -1 1 377.199 2.089 20 0 GEADMM Clc1ccc(-n2cc(CNc3n[nH]cc3-c3nn[n-]n3)nn2)cc1Cl ZINC000826351550 609449159 /nfs/dbraw/zinc/44/91/59/609449159.db2.gz QWBUQEQSJXKGME-UHFFFAOYSA-N -1 1 377.199 2.089 20 0 GEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824507160 609456638 /nfs/dbraw/zinc/45/66/38/609456638.db2.gz VBODQYMVAPTCRS-QWRGUYRKSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824507160 609456639 /nfs/dbraw/zinc/45/66/39/609456639.db2.gz VBODQYMVAPTCRS-QWRGUYRKSA-N -1 1 392.485 2.304 20 0 GEADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000826519379 609496318 /nfs/dbraw/zinc/49/63/18/609496318.db2.gz WDEIJNJOJMVKON-CQSZACIVSA-N -1 1 379.380 2.083 20 0 GEADMM c1cc(-c2nn[n-]n2)oc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000826519379 609496321 /nfs/dbraw/zinc/49/63/21/609496321.db2.gz WDEIJNJOJMVKON-CQSZACIVSA-N -1 1 379.380 2.083 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826282545 609524248 /nfs/dbraw/zinc/52/42/48/609524248.db2.gz UDMJVZAACBWQPY-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826494596 609588429 /nfs/dbraw/zinc/58/84/29/609588429.db2.gz JDGWDLHYAWKELS-HVHJFMEUSA-N -1 1 382.449 2.128 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000826494596 609588432 /nfs/dbraw/zinc/58/84/32/609588432.db2.gz JDGWDLHYAWKELS-HVHJFMEUSA-N -1 1 382.449 2.128 20 0 GEADMM CC1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCC(F)(F)CC1 ZINC000824837924 609609881 /nfs/dbraw/zinc/60/98/81/609609881.db2.gz KJLXHZBTALZBSY-UHFFFAOYSA-N -1 1 375.376 2.252 20 0 GEADMM 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/nfs/dbraw/zinc/00/70/14/650007014.db2.gz PZLBLFBFKSELQK-UHFFFAOYSA-N -1 1 380.451 2.228 20 0 GEADMM COC(=O)[C@H](CNC(=O)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000448938830 650026151 /nfs/dbraw/zinc/02/61/51/650026151.db2.gz VTFQYJRXZKYZIU-CYBMUJFWSA-N -1 1 386.242 2.100 20 0 GEADMM CCC[C@H](CC(C)C)C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000450310218 650063777 /nfs/dbraw/zinc/06/37/77/650063777.db2.gz CWRXLZYLDTXHKX-GFCCVEGCSA-N -1 1 377.532 2.014 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2cccnc2)c(F)c1 ZINC000450976317 650077307 /nfs/dbraw/zinc/07/73/07/650077307.db2.gz ZHVRINNPFBBKMA-UHFFFAOYSA-N -1 1 387.458 2.198 20 0 GEADMM O=c1[n-]c(CN2CC[C@@H](Cc3cccc(I)c3)C2)n[nH]1 ZINC000451189281 650094667 /nfs/dbraw/zinc/09/46/67/650094667.db2.gz JANHRFSRPVANAN-NSHDSACASA-N -1 1 384.221 2.180 20 0 GEADMM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1=O ZINC000451315368 650103258 /nfs/dbraw/zinc/10/32/58/650103258.db2.gz YAWJGNGQJZXKFE-NSHDSACASA-N -1 1 386.882 2.494 20 0 GEADMM 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CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Br)c2)c1 ZINC000461459916 650454633 /nfs/dbraw/zinc/45/46/33/650454633.db2.gz HUWSYBNEABWCMG-UHFFFAOYSA-N -1 1 385.239 2.315 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(Br)c2)c1 ZINC000461465260 650455086 /nfs/dbraw/zinc/45/50/86/650455086.db2.gz PDRMYTQDCCAEQZ-UHFFFAOYSA-N -1 1 399.266 2.244 20 0 GEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507582648 650463614 /nfs/dbraw/zinc/46/36/14/650463614.db2.gz KQSBKPDANQSOBS-UHFFFAOYSA-N -1 1 392.861 2.496 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1-n1cnnn1 ZINC000462100550 650468217 /nfs/dbraw/zinc/46/82/17/650468217.db2.gz HUHVUNOUTWYJTE-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)c1 ZINC000508100769 650474420 /nfs/dbraw/zinc/47/44/20/650474420.db2.gz YKQFVHAACPROPN-GFCCVEGCSA-N -1 1 387.763 2.126 20 0 GEADMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccc(OC(F)F)c(F)c1 ZINC000508108337 650474670 /nfs/dbraw/zinc/47/46/70/650474670.db2.gz BXKWBFPXZUKSNW-NSHDSACASA-N -1 1 379.278 2.427 20 0 GEADMM COC(=O)CCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508881236 650484271 /nfs/dbraw/zinc/48/42/71/650484271.db2.gz YSWNEOMJOASYKI-UHFFFAOYSA-N -1 1 398.264 2.402 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2I)cn1 ZINC000509213878 650490236 /nfs/dbraw/zinc/49/02/36/650490236.db2.gz WVIXEQIYIDOPOH-UHFFFAOYSA-N -1 1 393.181 2.330 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)Cc2ccc(O)cc2)c1 ZINC000462766758 650490335 /nfs/dbraw/zinc/49/03/35/650490335.db2.gz KGSJCDXVMYCIHS-UHFFFAOYSA-N -1 1 393.237 2.466 20 0 GEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1SCC(N)=O)OCO2 ZINC000509254466 650491795 /nfs/dbraw/zinc/49/17/95/650491795.db2.gz LXGXXHMYSPPNOO-UHFFFAOYSA-N -1 1 380.447 2.102 20 0 GEADMM O=S(=O)([N-]Cc1nc(CO)cs1)c1cc(Br)c(F)cc1F ZINC000509753282 650499950 /nfs/dbraw/zinc/49/99/50/650499950.db2.gz XHKYFUPCIMWYRT-UHFFFAOYSA-N -1 1 399.238 2.155 20 0 GEADMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc([S@@](C)=O)cc3)cc2oc1=O ZINC000466958397 650499949 /nfs/dbraw/zinc/49/99/49/650499949.db2.gz VCBSKFWOTBOAGX-XMMPIXPASA-N -1 1 380.447 2.153 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000509966726 650504601 /nfs/dbraw/zinc/50/46/01/650504601.db2.gz BVVOZSYYSSODDA-PSASIEDQSA-N -1 1 382.265 2.219 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000509973750 650504831 /nfs/dbraw/zinc/50/48/31/650504831.db2.gz TVTOKCMNGMVNNT-VIFPVBQESA-N -1 1 382.265 2.485 20 0 GEADMM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509973377 650504854 /nfs/dbraw/zinc/50/48/54/650504854.db2.gz YWKNRWSWLQOBLX-UMBAGQNISA-N -1 1 382.265 2.385 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000511219555 650529488 /nfs/dbraw/zinc/52/94/88/650529488.db2.gz FLVLWIHWYNEKQJ-UHFFFAOYSA-N -1 1 395.487 2.409 20 0 GEADMM COC(=O)c1csc(S(=O)(=O)[N-]CC(F)(F)c2cccc(OC)n2)c1 ZINC000511359244 650534825 /nfs/dbraw/zinc/53/48/25/650534825.db2.gz KJZMJTPLPYPBJN-UHFFFAOYSA-N -1 1 392.405 2.009 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C ZINC000475798732 650539024 /nfs/dbraw/zinc/53/90/24/650539024.db2.gz QNAOKKRQEVVTHX-UHFFFAOYSA-N -1 1 379.463 2.185 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1c[nH]cn1)c1ccc(Cl)c(Cl)c1 ZINC000476131722 650544674 /nfs/dbraw/zinc/54/46/74/650544674.db2.gz DWBYOWZXXYKBBS-CYBMUJFWSA-N -1 1 378.237 2.083 20 0 GEADMM C[C@@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000512625754 650551793 /nfs/dbraw/zinc/55/17/93/650551793.db2.gz ROBHPDPGFAKOQG-QMMMGPOBSA-N -1 1 376.360 2.359 20 0 GEADMM C[C@@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000512625754 650551794 /nfs/dbraw/zinc/55/17/94/650551794.db2.gz ROBHPDPGFAKOQG-QMMMGPOBSA-N -1 1 376.360 2.359 20 0 GEADMM COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1ncccc1[O-] ZINC000476632060 650556532 /nfs/dbraw/zinc/55/65/32/650556532.db2.gz JJIFVZQYPIALQC-UHFFFAOYSA-N -1 1 379.210 2.365 20 0 GEADMM Cc1cccc(CN(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000477181480 650570865 /nfs/dbraw/zinc/57/08/65/650570865.db2.gz WREVQZQQXYEZNU-UHFFFAOYSA-N -1 1 386.470 2.326 20 0 GEADMM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000514688243 650576751 /nfs/dbraw/zinc/57/67/51/650576751.db2.gz JCTOIKWXKVHWGN-UHFFFAOYSA-N -1 1 376.150 2.076 20 0 GEADMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c1F ZINC000478103222 650583108 /nfs/dbraw/zinc/58/31/08/650583108.db2.gz RRVRDCCAPVQTBU-UHFFFAOYSA-N -1 1 375.374 2.469 20 0 GEADMM COC[C@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)C(F)(F)F ZINC000479144758 650597423 /nfs/dbraw/zinc/59/74/23/650597423.db2.gz YCNAZYIOLJDRMK-ZDUSSCGKSA-N -1 1 381.351 2.257 20 0 GEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)c(C)c1)OCO2 ZINC000479267596 650600514 /nfs/dbraw/zinc/60/05/14/650600514.db2.gz VWMJYRJHBHZERQ-UHFFFAOYSA-N -1 1 383.447 2.236 20 0 GEADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479527834 650605419 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CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1F ZINC000481962706 650656678 /nfs/dbraw/zinc/65/66/78/650656678.db2.gz PZSAPLAETIAEBT-UHFFFAOYSA-N -1 1 393.849 2.437 20 0 GEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000525968345 650661983 /nfs/dbraw/zinc/66/19/83/650661983.db2.gz YIDGDPZPKWJFRG-UHFFFAOYSA-N -1 1 381.475 2.006 20 0 GEADMM O=C(NCc1nc2cccnc2[nH]1)c1ccc(I)c([O-])c1 ZINC000526014877 650663130 /nfs/dbraw/zinc/66/31/30/650663130.db2.gz URJZTLFUSXRBOS-UHFFFAOYSA-N -1 1 394.172 2.198 20 0 GEADMM CCN(Cc1cccc(Br)c1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000482369477 650664687 /nfs/dbraw/zinc/66/46/87/650664687.db2.gz XYIDFRWDMCDVTA-UHFFFAOYSA-N -1 1 392.253 2.328 20 0 GEADMM COC(=O)[C@H]1CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485668513 650698429 /nfs/dbraw/zinc/69/84/29/650698429.db2.gz MNQPDDUHMMSQAJ-LLVKDONJSA-N -1 1 379.210 2.481 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1 ZINC000486566395 650715682 /nfs/dbraw/zinc/71/56/82/650715682.db2.gz 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Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1S(N)(=O)=O ZINC000535137932 650785426 /nfs/dbraw/zinc/78/54/26/650785426.db2.gz NWWKEYBYTCRGIL-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1F ZINC000060554544 642836866 /nfs/dbraw/zinc/83/68/66/642836866.db2.gz HMLHWZQHLQBRDH-UHFFFAOYSA-N -1 1 392.361 2.077 20 0 GEADMM O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000066051734 642895201 /nfs/dbraw/zinc/89/52/01/642895201.db2.gz YUXLTIKZUJQZCD-LBPRGKRZSA-N -1 1 384.201 2.464 20 0 GEADMM COc1cc[n-]c(=NNS(=O)(=O)C=Cc2cccc(Br)c2)n1 ZINC000066579761 642924065 /nfs/dbraw/zinc/92/40/65/642924065.db2.gz QYGGBLNSSJDQGC-SOFGYWHQSA-N -1 1 385.243 2.165 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 ZINC000066588499 642926653 /nfs/dbraw/zinc/92/66/53/642926653.db2.gz CDIFXUFBZYUPQS-UHFFFAOYSA-N -1 1 394.446 2.450 20 0 GEADMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000066937870 642954608 /nfs/dbraw/zinc/95/46/08/642954608.db2.gz 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643129926 /nfs/dbraw/zinc/12/99/26/643129926.db2.gz HXAAEKBAKYULLC-UHFFFAOYSA-N -1 1 396.245 2.289 20 0 GEADMM CN(CCc1ccccc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932717 643146645 /nfs/dbraw/zinc/14/66/45/643146645.db2.gz NVVYFQWMFKQXPV-UHFFFAOYSA-N -1 1 386.470 2.060 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)c(Cl)c2)ccc1F ZINC000105591160 643210450 /nfs/dbraw/zinc/21/04/50/643210450.db2.gz VXTYRLGFZVULEI-UHFFFAOYSA-N -1 1 386.832 2.310 20 0 GEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1NS(C)(=O)=O ZINC000538016150 650827902 /nfs/dbraw/zinc/82/79/02/650827902.db2.gz WZKOREKQYUDPSU-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM O=C(NCCNC(=O)c1ccccc1F)c1ccc(Br)cc1[O-] ZINC000109363095 643294196 /nfs/dbraw/zinc/29/41/96/643294196.db2.gz WVJXXRHEKSLKAA-UHFFFAOYSA-N -1 1 381.201 2.454 20 0 GEADMM Cc1cccc(I)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538226303 650832299 /nfs/dbraw/zinc/83/22/99/650832299.db2.gz PBPAJOIQUDINOA-JTQLQIEISA-N -1 1 397.220 2.133 20 0 GEADMM 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Cc1ncc2c(n1)CCN(C(=O)c1ccc(I)c([O-])c1)C2 ZINC000544823230 650954740 /nfs/dbraw/zinc/95/47/40/650954740.db2.gz UXNADHKSZIZIFB-UHFFFAOYSA-N -1 1 395.200 2.294 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@H]1Cn1ccnc1 ZINC000544878614 650957175 /nfs/dbraw/zinc/95/71/75/650957175.db2.gz HYBMUXHGNVNZSZ-LBPRGKRZSA-N -1 1 397.216 2.498 20 0 GEADMM CCS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000544893817 650957627 /nfs/dbraw/zinc/95/76/27/650957627.db2.gz MDNYQQLMYKDEDT-UHFFFAOYSA-N -1 1 375.418 2.237 20 0 GEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000545120649 650961997 /nfs/dbraw/zinc/96/19/97/650961997.db2.gz SEFKEJWUGDGGNY-UHFFFAOYSA-N -1 1 378.435 2.351 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)ccc1F ZINC000545124437 650962198 /nfs/dbraw/zinc/96/21/98/650962198.db2.gz PPLXPFKHHIRBNS-XMMPIXPASA-N -1 1 384.454 2.463 20 0 GEADMM CCc1nnc(NC(=O)N[N-]C(=O)c2cc(F)ccc2Br)s1 ZINC000182841668 644973117 /nfs/dbraw/zinc/97/31/17/644973117.db2.gz 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O=C(Nc1nc(Br)ccc1[O-])c1cc(Cl)ccc1-n1cnnn1 ZINC000194572910 645334795 /nfs/dbraw/zinc/33/47/95/645334795.db2.gz BPZLGNSJKDVBSK-UHFFFAOYSA-N -1 1 395.604 2.431 20 0 GEADMM Cc1ccccc1NC(=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195162379 645358949 /nfs/dbraw/zinc/35/89/49/645358949.db2.gz DOQGHRAHQWLHCC-UHFFFAOYSA-N -1 1 376.463 2.178 20 0 GEADMM Cc1ccccc1NC(=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195162379 645358960 /nfs/dbraw/zinc/35/89/60/645358960.db2.gz DOQGHRAHQWLHCC-UHFFFAOYSA-N -1 1 376.463 2.178 20 0 GEADMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000228559297 645396860 /nfs/dbraw/zinc/39/68/60/645396860.db2.gz QBFBITGNUCKBMN-GFCCVEGCSA-N -1 1 381.248 2.187 20 0 GEADMM NC(=O)c1cccc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000230887066 645400579 /nfs/dbraw/zinc/40/05/79/645400579.db2.gz PFQVWLKTZAVDRV-UHFFFAOYSA-N -1 1 382.157 2.348 20 0 GEADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(I)ccc1[O-] ZINC000236586330 645412909 /nfs/dbraw/zinc/41/29/09/645412909.db2.gz 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651014727 /nfs/dbraw/zinc/01/47/27/651014727.db2.gz XVNQWDROPDMCOB-JOYOIKCWSA-N -1 1 375.206 2.230 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cncc(Br)c3)no2)o1 ZINC000547025043 651016562 /nfs/dbraw/zinc/01/65/62/651016562.db2.gz XDNDLXGOKURDKS-UHFFFAOYSA-N -1 1 385.199 2.062 20 0 GEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CCO)cc1 ZINC000547499301 651028569 /nfs/dbraw/zinc/02/85/69/651028569.db2.gz IGAMRUHYAVXDGO-UHFFFAOYSA-N -1 1 389.882 2.215 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)s1 ZINC000547615722 651039461 /nfs/dbraw/zinc/03/94/61/651039461.db2.gz SLGSEOSKBQZDEA-UHFFFAOYSA-N -1 1 377.346 2.312 20 0 GEADMM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000265816725 645803708 /nfs/dbraw/zinc/80/37/08/645803708.db2.gz BENQYWRWMGDBEK-OAHLLOKOSA-N -1 1 390.527 2.076 20 0 GEADMM CCC[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nn[n-]n1 ZINC000267702124 645918476 /nfs/dbraw/zinc/91/84/76/645918476.db2.gz QJOQNQXDPHRZLA-SKDRFNHKSA-N -1 1 380.861 2.314 20 0 GEADMM Cn1cc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cn1 ZINC000269757076 646052599 /nfs/dbraw/zinc/05/25/99/646052599.db2.gz BDTRFQJLZBXXCF-NSHDSACASA-N -1 1 383.779 2.104 20 0 GEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1CC ZINC000270207545 646091971 /nfs/dbraw/zinc/09/19/71/646091971.db2.gz KWSDFFRCVXYJQK-UHFFFAOYSA-N -1 1 383.495 2.228 20 0 GEADMM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cn1 ZINC000270239471 646095238 /nfs/dbraw/zinc/09/52/38/646095238.db2.gz RTQISPIQPDKPFT-LLVKDONJSA-N -1 1 384.672 2.392 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)c(=O)[n-]1 ZINC000270603859 646124849 /nfs/dbraw/zinc/12/48/49/646124849.db2.gz ZYWZWDTYPNMFCH-JQWIXIFHSA-N -1 1 379.404 2.059 20 0 GEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)no1 ZINC000271419744 646204282 /nfs/dbraw/zinc/20/42/82/646204282.db2.gz LJCVMQVMQHKGKK-UHFFFAOYSA-N -1 1 381.277 2.119 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c1 ZINC000272581740 646278977 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C[S@](=O)C1(CNC(=O)c2cc(I)ccc2[O-])CCC1 ZINC000281179987 646751979 /nfs/dbraw/zinc/75/19/79/646751979.db2.gz FBURUQGYAJMXSY-IBGZPJMESA-N -1 1 393.246 2.028 20 0 GEADMM O=S(=O)([N-]c1cnc(N2CCOCC2)c(Br)c1)c1ccccc1 ZINC000281277757 646758271 /nfs/dbraw/zinc/75/82/71/646758271.db2.gz GFQJVQMXVOCFBS-UHFFFAOYSA-N -1 1 398.282 2.482 20 0 GEADMM Cn1cc(Br)cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281682276 646787889 /nfs/dbraw/zinc/78/78/89/646787889.db2.gz KRHVMVRUMKHHFJ-UHFFFAOYSA-N -1 1 396.207 2.318 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c(Br)n1C ZINC000288336761 646913227 /nfs/dbraw/zinc/91/32/27/646913227.db2.gz XNAGWLIRFCEEKT-UHFFFAOYSA-N -1 1 393.694 2.060 20 0 GEADMM Cn1ncc(CCC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000292874431 647210945 /nfs/dbraw/zinc/21/09/45/647210945.db2.gz STWIKYJMWTVARE-UHFFFAOYSA-N -1 1 382.795 2.398 20 0 GEADMM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C ZINC000293052626 647213443 /nfs/dbraw/zinc/21/34/43/647213443.db2.gz 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COC(=O)c1sc(S(=O)(=O)[N-]c2cc(C)cn(C)c2=O)c(C)c1Cl ZINC000788491187 653757464 /nfs/dbraw/zinc/75/74/64/653757464.db2.gz MDFCSQJKQQUKRA-UHFFFAOYSA-N -1 1 390.870 2.304 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C1(C)C ZINC000819889928 653760094 /nfs/dbraw/zinc/76/00/94/653760094.db2.gz JJAVQBJTTALUQM-VHSXEESVSA-N -1 1 378.882 2.033 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1cc(O)cc(Br)c1)C1CCOCC1 ZINC000842586411 653760221 /nfs/dbraw/zinc/76/02/21/653760221.db2.gz MLUGYXDWXYZTQP-AWEZNQCLSA-N -1 1 394.287 2.338 20 0 GEADMM COC(=O)C(C)(C)CSCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000865373587 653763019 /nfs/dbraw/zinc/76/30/19/653763019.db2.gz ARQSMBZSNXMZJT-UHFFFAOYSA-N -1 1 375.393 2.477 20 0 GEADMM O=C(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(Br)s1 ZINC000819969885 653763947 /nfs/dbraw/zinc/76/39/47/653763947.db2.gz ZPCBZCPIONZFSN-SSDOTTSWSA-N -1 1 386.227 2.188 20 0 GEADMM Cc1ccc(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)c(=O)n1C ZINC000882136984 653765032 /nfs/dbraw/zinc/76/50/32/653765032.db2.gz UVTCAPPWVLQFCT-UHFFFAOYSA-N -1 1 395.790 2.239 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000882138222 653765240 /nfs/dbraw/zinc/76/52/40/653765240.db2.gz FDMNCNKILLRJBV-UWVGGRQHSA-N -1 1 388.795 2.226 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1)C1CCCCC1 ZINC000882167867 653767248 /nfs/dbraw/zinc/76/72/48/653767248.db2.gz AOQIZFZBCMSWES-DEOSSOPVSA-N -1 1 397.469 2.448 20 0 GEADMM Cc1nccnc1CC[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882221879 653770548 /nfs/dbraw/zinc/77/05/48/653770548.db2.gz BYJTXYBQCOVYBC-UHFFFAOYSA-N -1 1 380.779 2.373 20 0 GEADMM CC1(C)C[C@](C)([N-]S(=O)(=O)Cc2ccccc2Br)C(=O)O1 ZINC000882223292 653770832 /nfs/dbraw/zinc/77/08/32/653770832.db2.gz JARCFQOYWYYBSF-AWEZNQCLSA-N -1 1 376.272 2.353 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]([C@@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000882238588 653771750 /nfs/dbraw/zinc/77/17/50/653771750.db2.gz UOOCKDABIQXXGE-NXHTTZLHSA-N -1 1 378.560 2.048 20 0 GEADMM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882240006 653771924 /nfs/dbraw/zinc/77/19/24/653771924.db2.gz QHJPQDVYGNEWCY-QMMMGPOBSA-N -1 1 382.795 2.397 20 0 GEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000820401566 653773879 /nfs/dbraw/zinc/77/38/79/653773879.db2.gz AIKIPUUVRICEAA-UHFFFAOYSA-N -1 1 386.861 2.406 20 0 GEADMM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000882538089 653787394 /nfs/dbraw/zinc/78/73/94/653787394.db2.gz XRKRLNDZILGWEU-UHFFFAOYSA-N -1 1 375.422 2.409 20 0 GEADMM CC(C)(C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12)CC(F)F ZINC000882578326 653789383 /nfs/dbraw/zinc/78/93/83/653789383.db2.gz QYDHBAYGSNZSKR-UHFFFAOYSA-N -1 1 397.245 2.452 20 0 GEADMM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)OC ZINC000843760254 653793323 /nfs/dbraw/zinc/79/33/23/653793323.db2.gz BLXCEBKQRWDKNO-SECBINFHSA-N -1 1 384.162 2.306 20 0 GEADMM COC(=O)[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000882644210 653794280 /nfs/dbraw/zinc/79/42/80/653794280.db2.gz WPZRPQVFPKQAEK-JTQLQIEISA-N -1 1 397.280 2.025 20 0 GEADMM COCc1cccc([N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)c1 ZINC000882676541 653797312 /nfs/dbraw/zinc/79/73/12/653797312.db2.gz MKOMTSCKNJSTPE-XMMPIXPASA-N -1 1 383.495 2.493 20 0 GEADMM COc1cccc(CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)c1 ZINC000866507717 653799597 /nfs/dbraw/zinc/79/95/97/653799597.db2.gz ZRTRWQVWSIZKHZ-XMMPIXPASA-N -1 1 386.470 2.368 20 0 GEADMM CC(C)CCn1ncc([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)c1C(C)C ZINC000882719071 653800192 /nfs/dbraw/zinc/80/01/92/653800192.db2.gz ZMCKWGBOJDBDPU-HSZRJFAPSA-N -1 1 379.552 2.284 20 0 GEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)=O)c(F)c1)C(F)(F)F ZINC000882753567 653804752 /nfs/dbraw/zinc/80/47/52/653804752.db2.gz QAJNHRFKONEGBX-GFCCVEGCSA-N -1 1 385.335 2.191 20 0 GEADMM Cn1[n-]cc2c(=NC(=O)c3c(F)cccc3I)ccnc1-2 ZINC000791286831 653807688 /nfs/dbraw/zinc/80/76/88/653807688.db2.gz SICCXPGOGBRPQS-UHFFFAOYSA-N -1 1 396.163 2.338 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccnc(OC2CCCCC2)c1 ZINC000866682381 653810693 /nfs/dbraw/zinc/81/06/93/653810693.db2.gz MHPRNLHEWVYGSC-HSZRJFAPSA-N -1 1 375.516 2.245 20 0 GEADMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)ccc1F ZINC000844662739 653812524 /nfs/dbraw/zinc/81/25/24/653812524.db2.gz RNXFBKDJOMANIN-JTQLQIEISA-N -1 1 385.438 2.108 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCc2c1cccc2Br ZINC000866724621 653815664 /nfs/dbraw/zinc/81/56/64/653815664.db2.gz MIGNBPSIBYUROI-CWTRNNRKSA-N -1 1 381.317 2.389 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl)c1ccc(OC)cc1 ZINC000866733996 653816581 /nfs/dbraw/zinc/81/65/81/653816581.db2.gz HGRFWMRCXIMQDZ-OCCSQVGLSA-N -1 1 396.292 2.413 20 0 GEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2cn(C)nc2Br)n1 ZINC000895104718 653818294 /nfs/dbraw/zinc/81/82/94/653818294.db2.gz IRRSCTMHYBJRBI-LLVKDONJSA-N -1 1 399.293 2.354 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c1C(F)(F)F ZINC000866759434 653820449 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Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)cc1 ZINC000866883362 653842953 /nfs/dbraw/zinc/84/29/53/653842953.db2.gz RHVGGBJLUSRQSO-LLVKDONJSA-N -1 1 377.388 2.493 20 0 GEADMM CCc1cnc(CC[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)s1 ZINC000866886648 653844033 /nfs/dbraw/zinc/84/40/33/653844033.db2.gz FRFIIAVINXRDPJ-QHCPKHFHSA-N -1 1 391.515 2.378 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](Cc1nccn1C)c1ccccc1 ZINC000866891449 653844790 /nfs/dbraw/zinc/84/47/90/653844790.db2.gz DYYNIQRGZJXNEP-HNNXBMFYSA-N -1 1 384.527 2.046 20 0 GEADMM O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000845464640 653849754 /nfs/dbraw/zinc/84/97/54/653849754.db2.gz ZZBJIAARWFXRGT-LLVKDONJSA-N -1 1 376.829 2.190 20 0 GEADMM CCCCC[C@@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)OC ZINC000866930292 653851141 /nfs/dbraw/zinc/85/11/41/653851141.db2.gz JAHWANGWUCXYEH-SECBINFHSA-N -1 1 399.332 2.447 20 0 GEADMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)cs1 ZINC000866937814 653852313 /nfs/dbraw/zinc/85/23/13/653852313.db2.gz KMBODYRBMHSXJX-ZETCQYMHSA-N -1 1 384.405 2.081 20 0 GEADMM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1nc[nH]c1Br)c1ccccc1 ZINC000866957615 653855041 /nfs/dbraw/zinc/85/50/41/653855041.db2.gz GTFYRJDYXZVZJG-ZYHUDNBSSA-N -1 1 388.287 2.005 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccc2c(c1)COC2)c1ccccc1F ZINC000866987826 653860574 /nfs/dbraw/zinc/86/05/74/653860574.db2.gz ITMNYEKNQIIEIA-DEOSSOPVSA-N -1 1 384.454 2.347 20 0 GEADMM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867000470 653863176 /nfs/dbraw/zinc/86/31/76/653863176.db2.gz IFBBDZXNNUDYKS-SFYZADRCSA-N -1 1 380.289 2.024 20 0 GEADMM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867006466 653864598 /nfs/dbraw/zinc/86/45/98/653864598.db2.gz BVHVFDVMLOVCPX-PSLXWICFSA-N -1 1 380.507 2.160 20 0 GEADMM C[C@H](CCO)C1(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCC1 ZINC000867058310 653872931 /nfs/dbraw/zinc/87/29/31/653872931.db2.gz CDXKDLHUORWSBF-OZAJXLCCSA-N -1 1 392.518 2.306 20 0 GEADMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000845968966 653874096 /nfs/dbraw/zinc/87/40/96/653874096.db2.gz OXFIAFSVXHPPNO-TVQRCGJNSA-N -1 1 381.853 2.341 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)[C@H]1CCCOC1 ZINC000867075467 653875899 /nfs/dbraw/zinc/87/58/99/653875899.db2.gz PXTHALAIPYUMNN-JOYOIKCWSA-N -1 1 397.280 2.025 20 0 GEADMM C[C@]1(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCO[C@@H]1C1CC1 ZINC000867118761 653881902 /nfs/dbraw/zinc/88/19/02/653881902.db2.gz YCAVXVCOIRPSFO-JOWJHRDDSA-N -1 1 390.502 2.322 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1OC ZINC000867168382 653888398 /nfs/dbraw/zinc/88/83/98/653888398.db2.gz XXFIWILCLFTEBG-LXGOIASLSA-N -1 1 399.332 2.471 20 0 GEADMM CC(C)[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1ccnn1C ZINC000867169520 653888559 /nfs/dbraw/zinc/88/85/59/653888559.db2.gz YGRGUFCSOQEGPE-IZHWHUGBSA-N -1 1 384.527 2.151 20 0 GEADMM C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(I)cc1[O-] ZINC000867233626 653899483 /nfs/dbraw/zinc/89/94/83/653899483.db2.gz WJRXMLWHYHFGGT-CABZTGNLSA-N -1 1 375.206 2.372 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000867262112 653904508 /nfs/dbraw/zinc/90/45/08/653904508.db2.gz QZIYWJMFZPSLST-GTJPDFRWSA-N -1 1 389.326 2.369 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000867262114 653904867 /nfs/dbraw/zinc/90/48/67/653904867.db2.gz QZIYWJMFZPSLST-QKVFXAPYSA-N -1 1 389.326 2.369 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccns1 ZINC000885017058 653906526 /nfs/dbraw/zinc/90/65/26/653906526.db2.gz XIDYRGJJSDNRQJ-JTQLQIEISA-N -1 1 375.422 2.302 20 0 GEADMM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(Cl)cnc3Cl)[C@@H]2C1 ZINC000867273547 653907527 /nfs/dbraw/zinc/90/75/27/653907527.db2.gz KLKGQUJFDWAPLN-CYZMBNFOSA-N -1 1 392.308 2.314 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)C1)C(F)(F)F ZINC000867282386 653908735 /nfs/dbraw/zinc/90/87/35/653908735.db2.gz MZOWTSGZQCWWOO-QWRGUYRKSA-N -1 1 392.390 2.142 20 0 GEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1c2ccccc2CC12CCOCC2 ZINC000867282157 653908774 /nfs/dbraw/zinc/90/87/74/653908774.db2.gz KCUCFRYRNOJDMF-MRXNPFEDSA-N -1 1 384.523 2.177 20 0 GEADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cc(C)cnc2Cl)nc1C ZINC000885047409 653909077 /nfs/dbraw/zinc/90/90/77/653909077.db2.gz SEEDAJYBGIAIFO-UHFFFAOYSA-N -1 1 389.886 2.464 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1nc[nH]c1Br)[C@H]1OCCc2sccc21 ZINC000867300140 653911494 /nfs/dbraw/zinc/91/14/94/653911494.db2.gz KKFSUNZSMZVZQN-GMSGAONNSA-N -1 1 392.300 2.215 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)[C@@H]1OCCc2sccc21 ZINC000867300143 653911848 /nfs/dbraw/zinc/91/18/48/653911848.db2.gz KKFSUNZSMZVZQN-XVKPBYJWSA-N -1 1 392.300 2.215 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000867301181 653911875 /nfs/dbraw/zinc/91/18/75/653911875.db2.gz WYEJMVQSPQQICN-PELKAZGASA-N -1 1 395.428 2.481 20 0 GEADMM C[C@@H](F)CC[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000867308299 653912834 /nfs/dbraw/zinc/91/28/34/653912834.db2.gz GSDZUDFUYROCNG-AYLIAGHASA-N -1 1 387.296 2.488 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CC(C)=NO2)c(F)cc1Cl ZINC000867348940 653919871 /nfs/dbraw/zinc/91/98/71/653919871.db2.gz JYAQKPCPVNUECS-VIFPVBQESA-N -1 1 378.809 2.099 20 0 GEADMM Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCO1 ZINC000867360549 653921818 /nfs/dbraw/zinc/92/18/18/653921818.db2.gz JFZQCMNLMFRMNP-CMPLNLGQSA-N -1 1 391.280 2.321 20 0 GEADMM Cn1ccnc1[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCO1 ZINC000867371565 653923963 /nfs/dbraw/zinc/92/39/63/653923963.db2.gz GODZMUWKJWCPGN-MNOVXSKESA-N -1 1 391.280 2.321 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1ccns1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000885343432 653927580 /nfs/dbraw/zinc/92/75/80/653927580.db2.gz BIBDMILSOFMFFP-LLVKDONJSA-N -1 1 375.516 2.457 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC2CC2)c(OC)c1 ZINC000885390289 653930849 /nfs/dbraw/zinc/93/08/49/653930849.db2.gz BLTSHMZILIRMKA-UHFFFAOYSA-N -1 1 390.527 2.268 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)c1C(F)(F)F ZINC000867425343 653930948 /nfs/dbraw/zinc/93/09/48/653930948.db2.gz CDJJQWDCBVGENH-UHFFFAOYSA-N -1 1 389.346 2.112 20 0 GEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)nc2F)s1 ZINC000867431703 653931889 /nfs/dbraw/zinc/93/18/89/653931889.db2.gz MTZXRTVIYSZPTD-ZCFIWIBFSA-N -1 1 379.822 2.157 20 0 GEADMM CCOC(=O)c1cnn(Cc2ccccc2Br)c1-c1nn[n-]n1 ZINC000825570370 653933824 /nfs/dbraw/zinc/93/38/24/653933824.db2.gz IXFVTDYHJXNPQA-UHFFFAOYSA-N -1 1 377.202 2.051 20 0 GEADMM Cn1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc(Cl)cnc3Cl)CCO2)cn1 ZINC000867480292 653938208 /nfs/dbraw/zinc/93/82/08/653938208.db2.gz BFROAGQRQSDQQW-VXGBXAGGSA-N -1 1 391.280 2.321 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c(C(C)(C)C)n1 ZINC000867487601 653939437 /nfs/dbraw/zinc/93/94/37/653939437.db2.gz OEELZSGKVNHQLF-CMPLNLGQSA-N -1 1 383.436 2.496 20 0 GEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000885672084 653942126 /nfs/dbraw/zinc/94/21/26/653942126.db2.gz CSWAOTNCPZFUJO-BSEYFRJRSA-N -1 1 396.575 2.083 20 0 GEADMM O=S(=O)([N-][C@H](CO)CC1CCC1)c1cc(Br)cnc1Cl ZINC000795278111 653942285 /nfs/dbraw/zinc/94/22/85/653942285.db2.gz JPUYXYDGWLMQNK-JTQLQIEISA-N -1 1 383.695 2.327 20 0 GEADMM CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CC1=O ZINC000867529743 653946271 /nfs/dbraw/zinc/94/62/71/653946271.db2.gz NMORDBILNOQLON-SECBINFHSA-N -1 1 380.297 2.314 20 0 GEADMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)nc2F)CCOCC1 ZINC000867536124 653947889 /nfs/dbraw/zinc/94/78/89/653947889.db2.gz ODZAZSYOWOXJDT-UHFFFAOYSA-N -1 1 394.852 2.043 20 0 GEADMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)ccc1F ZINC000795382799 653949057 /nfs/dbraw/zinc/94/90/57/653949057.db2.gz WUYDYMUYLOSBOY-SECBINFHSA-N -1 1 391.417 2.222 20 0 GEADMM Cc1onc(CC(=O)NCCc2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826348125 653949795 /nfs/dbraw/zinc/94/97/95/653949795.db2.gz VRHZYBMECJODNU-UHFFFAOYSA-N -1 1 381.223 2.371 20 0 GEADMM Cc1onc(CC(=O)NCCc2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826348125 653949802 /nfs/dbraw/zinc/94/98/02/653949802.db2.gz VRHZYBMECJODNU-UHFFFAOYSA-N -1 1 381.223 2.371 20 0 GEADMM Cc1onc(CC(=O)Nc2cc(Br)ccc2F)c1-c1nnn[n-]1 ZINC000826348469 653950335 /nfs/dbraw/zinc/95/03/35/653950335.db2.gz NVMLINRGWAJYLA-UHFFFAOYSA-N -1 1 381.165 2.246 20 0 GEADMM Cc1onc(CC(=O)Nc2cc(Br)ccc2F)c1-c1nn[n-]n1 ZINC000826348469 653950338 /nfs/dbraw/zinc/95/03/38/653950338.db2.gz NVMLINRGWAJYLA-UHFFFAOYSA-N -1 1 381.165 2.246 20 0 GEADMM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000867563111 653952046 /nfs/dbraw/zinc/95/20/46/653952046.db2.gz VZUGNVBPNAJQBK-XHDPSFHLSA-N -1 1 393.864 2.257 20 0 GEADMM CCOC(=O)[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000885774061 653955976 /nfs/dbraw/zinc/95/59/76/653955976.db2.gz DXBLXKLXSAMCMJ-MCIONIFRSA-N -1 1 383.457 2.232 20 0 GEADMM CNC(=O)C1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCOCC1 ZINC000885828999 653958670 /nfs/dbraw/zinc/95/86/70/653958670.db2.gz CAVLIEKQMJAQPK-UHFFFAOYSA-N -1 1 388.898 2.128 20 0 GEADMM O=S(=O)([N-]C[C@@H](n1cncn1)C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC000867603423 653959722 /nfs/dbraw/zinc/95/97/22/653959722.db2.gz BSEPRLHYWGKBAR-MRVPVSSYSA-N -1 1 390.174 2.062 20 0 GEADMM O=S(=O)([N-]C[C@H](n1cncn1)C(F)(F)F)c1ccc(Cl)nc1Cl ZINC000867603779 653959781 /nfs/dbraw/zinc/95/97/81/653959781.db2.gz JIOGQJNAAOPBQF-ZETCQYMHSA-N -1 1 390.174 2.062 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000867629277 653964487 /nfs/dbraw/zinc/96/44/87/653964487.db2.gz RFXNBFTWEDBZHE-SNVBAGLBSA-N -1 1 376.425 2.499 20 0 GEADMM COC(=O)[C@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000867678744 653971989 /nfs/dbraw/zinc/97/19/89/653971989.db2.gz JEJIDBNAOVHUEK-INIZCTEOSA-N -1 1 386.857 2.230 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2c(C)nn(C)c2C)c(F)cc1Cl ZINC000795868608 653973149 /nfs/dbraw/zinc/97/31/49/653973149.db2.gz QJPJWOBQRABOTI-UHFFFAOYSA-N -1 1 389.836 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2sccc2Cl)[C@H](O)C1 ZINC000867686840 653973357 /nfs/dbraw/zinc/97/33/57/653973357.db2.gz UGXXTVUGXJBPEX-WDEREUQCSA-N -1 1 396.918 2.050 20 0 GEADMM C[C@H]1C[C@H](S(=O)(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CCO1 ZINC000867704455 653975100 /nfs/dbraw/zinc/97/51/00/653975100.db2.gz LXYXECTVOKUBSL-DZGCQCFKSA-N -1 1 388.917 2.061 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C)o2)c1F ZINC000848440373 653976107 /nfs/dbraw/zinc/97/61/07/653976107.db2.gz FFSKKBWWHADBTO-NSHDSACASA-N -1 1 391.804 2.179 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c(F)cc1Cl ZINC000795927072 653977939 /nfs/dbraw/zinc/97/79/39/653977939.db2.gz ARTLJYRQVLQXBL-LBPRGKRZSA-N -1 1 393.845 2.339 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)c1cccc(OC)c1OC ZINC000867731499 653978515 /nfs/dbraw/zinc/97/85/15/653978515.db2.gz DTEVEUQCTCQOCZ-ZDUSSCGKSA-N -1 1 378.516 2.497 20 0 GEADMM CCOC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Br)s2)on1 ZINC000867740850 653979258 /nfs/dbraw/zinc/97/92/58/653979258.db2.gz KXHYRQCFAYESAV-UHFFFAOYSA-N -1 1 395.256 2.154 20 0 GEADMM CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867758025 653982161 /nfs/dbraw/zinc/98/21/61/653982161.db2.gz FGYKKRQLCNPILY-JTQLQIEISA-N -1 1 383.392 2.005 20 0 GEADMM O=C(N1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)C1)C(F)(F)F ZINC000848505289 653982681 /nfs/dbraw/zinc/98/26/81/653982681.db2.gz IZSBOSUELDDTNU-VIFPVBQESA-N -1 1 386.342 2.044 20 0 GEADMM CCc1nc(S(=O)(=O)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)n[n-]1 ZINC000899480319 654017490 /nfs/dbraw/zinc/01/74/90/654017490.db2.gz FFNNNRSSOTUUNF-GXFFZTMASA-N -1 1 375.372 2.323 20 0 GEADMM CCCCOC(=O)C[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000849378307 654018423 /nfs/dbraw/zinc/01/84/23/654018423.db2.gz VQGRKUGCZGNSBK-UHFFFAOYSA-N -1 1 382.251 2.351 20 0 GEADMM C[C@](O)(CC[N-]S(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000849386239 654020446 /nfs/dbraw/zinc/02/04/46/654020446.db2.gz CBIRHJSARVVXPR-HNNXBMFYSA-N -1 1 385.283 2.420 20 0 GEADMM O=C(c1ccc(I)cc1[O-])N1CCOCC(F)(F)C1 ZINC000868399537 654033799 /nfs/dbraw/zinc/03/37/99/654033799.db2.gz KGZRLXDRKZPJRN-UHFFFAOYSA-N -1 1 383.132 2.105 20 0 GEADMM Cc1sc(NCC(F)F)nc1-c1cn(CC[N-]C(=O)C(F)(F)F)nn1 ZINC000887542782 654038915 /nfs/dbraw/zinc/03/89/15/654038915.db2.gz FIAMLMIPXQTGOU-UHFFFAOYSA-N -1 1 384.334 2.066 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1nnnn1C1CC1 ZINC000797835378 654043710 /nfs/dbraw/zinc/04/37/10/654043710.db2.gz UFBJOERKDOAUOJ-ZCFIWIBFSA-N -1 1 380.232 2.493 20 0 GEADMM Cn1nc2c(c1CN[C@H](C(=O)[O-])c1ccc(Br)cc1)COCC2 ZINC000900029264 654046776 /nfs/dbraw/zinc/04/67/76/654046776.db2.gz NQAHWFTZHSGYQA-HNNXBMFYSA-N -1 1 380.242 2.171 20 0 GEADMM Cc1nnc([C@H]2CCN(C(=O)c3ccc(I)cc3[O-])C2)[nH]1 ZINC000868880832 654060793 /nfs/dbraw/zinc/06/07/93/654060793.db2.gz VCIKUNSIQHPQLA-VIFPVBQESA-N -1 1 398.204 2.053 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(I)cc2[O-])c2ncnn21 ZINC000869236210 654080155 /nfs/dbraw/zinc/08/01/55/654080155.db2.gz TZGSHKIXXODVNO-GMSGAONNSA-N -1 1 384.177 2.024 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC000888509838 654090062 /nfs/dbraw/zinc/09/00/62/654090062.db2.gz FGGYHCQIYCJAQG-ZDUSSCGKSA-N -1 1 388.283 2.194 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)C2(CO)CC2)c1F ZINC000917245742 654117879 /nfs/dbraw/zinc/11/78/79/654117879.db2.gz PBGTYXGWUZUTBW-MRVPVSSYSA-N -1 1 382.251 2.036 20 0 GEADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000830456206 654119448 /nfs/dbraw/zinc/11/94/48/654119448.db2.gz IHRYGOVHDBACHK-JTQLQIEISA-N -1 1 380.898 2.281 20 0 GEADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)ccc1Cl ZINC000917754865 654133485 /nfs/dbraw/zinc/13/34/85/654133485.db2.gz LWCGVBSSTGZCFX-UHFFFAOYSA-N -1 1 380.809 2.171 20 0 GEADMM O=C(NCc1nc(C2CC2)no1)c1cc(I)ccc1[O-] ZINC000917764787 654134064 /nfs/dbraw/zinc/13/40/64/654134064.db2.gz 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COCC1([N-]S(=O)(=O)c2c(Br)ccc(OC)c2F)CCC1 ZINC000915365767 654869479 /nfs/dbraw/zinc/86/94/79/654869479.db2.gz IZTFMVAOTRJPRU-UHFFFAOYSA-N -1 1 382.251 2.444 20 0 GEADMM CSC1(CNS(=O)(=O)c2occc2Br)CC[NH+](C)CC1 ZINC000915735973 654878205 /nfs/dbraw/zinc/87/82/05/654878205.db2.gz WHDQJQWBSQKUQO-UHFFFAOYSA-N -1 1 383.333 2.148 20 0 GEADMM COc1ccc(NC(=O)NC[C@@H]2CC2(Cl)Cl)cc1[N-]S(C)(=O)=O ZINC000915910986 654882440 /nfs/dbraw/zinc/88/24/40/654882440.db2.gz RDPZRUXFFHWOFC-QMMMGPOBSA-N -1 1 382.269 2.382 20 0 GEADMM O=C(c1cnc(CCC(F)(F)F)s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000935457778 654894623 /nfs/dbraw/zinc/89/46/23/654894623.db2.gz ZGXPITPTFVCUAB-ZETCQYMHSA-N -1 1 378.405 2.081 20 0 GEADMM C[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000935591683 654903090 /nfs/dbraw/zinc/90/30/90/654903090.db2.gz CVXQQBUSAPJTHU-WDEREUQCSA-N -1 1 375.206 2.479 20 0 GEADMM O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000935795018 654917537 /nfs/dbraw/zinc/91/75/37/654917537.db2.gz UFEQQCHPELAVLB-VIFPVBQESA-N -1 1 392.213 2.205 20 0 GEADMM Cc1ccc(CN2CCOC3(CCN(c4nccnc4CC(=O)[O-])CC3)C2)cc1 ZINC001164940632 721930703 /nfs/dbraw/zinc/93/07/03/721930703.db2.gz VBIRRRXYFHWZFH-UHFFFAOYSA-N -1 1 396.491 2.284 20 0 GEADMM Cc1cc(C(=O)Nc2ccc(Br)cc2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151453493 531502534 /nfs/dbraw/zinc/50/25/34/531502534.db2.gz WDZPTPBQEJXPTF-UHFFFAOYSA-N -1 1 393.172 2.486 20 0 GEADMM Cc1cc(C(=O)Nc2ccc(Br)cc2F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000151453493 531502540 /nfs/dbraw/zinc/50/25/40/531502540.db2.gz WDZPTPBQEJXPTF-UHFFFAOYSA-N -1 1 393.172 2.486 20 0 GEADMM Cc1nc2nc(S(=O)(=O)Cc3noc(C4CC4)n3)[n-]c2cc1Br ZINC000152056208 531526915 /nfs/dbraw/zinc/52/69/15/531526915.db2.gz ZQSFBXGDRGKGKL-UHFFFAOYSA-N -1 1 398.242 2.263 20 0 GEADMM Cc1[n-]c2nc(S(=O)(=O)Cc3noc(C4CC4)n3)nc-2cc1Br ZINC000152056208 531526931 /nfs/dbraw/zinc/52/69/31/531526931.db2.gz ZQSFBXGDRGKGKL-UHFFFAOYSA-N -1 1 398.242 2.263 20 0 GEADMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000006975588 531534219 /nfs/dbraw/zinc/53/42/19/531534219.db2.gz PCZLGMARCRXHCM-UHFFFAOYSA-N -1 1 381.479 2.069 20 0 GEADMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000013460294 531561344 /nfs/dbraw/zinc/56/13/44/531561344.db2.gz BVPHSKHOTYPFEE-UHFFFAOYSA-N -1 1 380.403 2.342 20 0 GEADMM CN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000021185577 531584851 /nfs/dbraw/zinc/58/48/51/531584851.db2.gz PYOMVXOKWSVWQK-UHFFFAOYSA-N -1 1 390.086 2.122 20 0 GEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(F)cc1F ZINC000024428483 531603516 /nfs/dbraw/zinc/60/35/16/531603516.db2.gz USNFMFZKHQFCHJ-UHFFFAOYSA-N -1 1 377.346 2.312 20 0 GEADMM C[C@H](O)[C@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000153940447 531614323 /nfs/dbraw/zinc/61/43/23/531614323.db2.gz IZPCZXSOTQBHPD-UWVGGRQHSA-N -1 1 375.206 2.230 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c(Br)c1 ZINC000028256993 531631792 /nfs/dbraw/zinc/63/17/92/531631792.db2.gz IKHXLKVWTRORMV-UHFFFAOYSA-N -1 1 399.266 2.422 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1 ZINC000031721837 531645234 /nfs/dbraw/zinc/64/52/34/531645234.db2.gz XCOTZCNCMJIINP-UHFFFAOYSA-N -1 1 379.463 2.185 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1 ZINC000031722571 531645914 /nfs/dbraw/zinc/64/59/14/531645914.db2.gz NKAVWJKTMPAMLM-UHFFFAOYSA-N -1 1 384.479 2.021 20 0 GEADMM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000036182493 531660148 /nfs/dbraw/zinc/66/01/48/531660148.db2.gz MGYBWRTUMDIVTM-UHFFFAOYSA-N -1 1 395.380 2.317 20 0 GEADMM NS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000156116651 531717167 /nfs/dbraw/zinc/71/71/67/531717167.db2.gz IHVMBXICVQNRCG-UHFFFAOYSA-N -1 1 385.239 2.196 20 0 GEADMM O=C(Nc1nnn[n-]1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000060380274 531841658 /nfs/dbraw/zinc/84/16/58/531841658.db2.gz FWRRJWAQNZZNNI-UHFFFAOYSA-N -1 1 375.742 2.122 20 0 GEADMM O=C(Nc1nn[n-]n1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000060380274 531841665 /nfs/dbraw/zinc/84/16/65/531841665.db2.gz FWRRJWAQNZZNNI-UHFFFAOYSA-N -1 1 375.742 2.122 20 0 GEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1 ZINC000063686074 531859673 /nfs/dbraw/zinc/85/96/73/531859673.db2.gz RAHGRMUEFAJRJR-UHFFFAOYSA-N -1 1 382.463 2.022 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c2cccc3Br)o1 ZINC000068192434 531901937 /nfs/dbraw/zinc/90/19/37/531901937.db2.gz IVMLPHBYEXEOHR-LBPRGKRZSA-N -1 1 399.266 2.368 20 0 GEADMM CN1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)CC1 ZINC000097405613 531936088 /nfs/dbraw/zinc/93/60/88/531936088.db2.gz QKDURFMBWLFARH-UHFFFAOYSA-N -1 1 379.507 2.327 20 0 GEADMM O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(Br)ccc1[O-] ZINC000172397261 531951310 /nfs/dbraw/zinc/95/13/10/531951310.db2.gz LLEXWXAVLCUJSE-GFCCVEGCSA-N -1 1 382.235 2.413 20 0 GEADMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000116712477 531960383 /nfs/dbraw/zinc/96/03/83/531960383.db2.gz SCZYYVOEICMOSS-XMMPIXPASA-N -1 1 378.475 2.169 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)co1 ZINC000119256399 531963875 /nfs/dbraw/zinc/96/38/75/531963875.db2.gz PMDPCPYPZODXPD-UHFFFAOYSA-N -1 1 378.328 2.381 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000173023279 531979908 /nfs/dbraw/zinc/97/99/08/531979908.db2.gz WSDLCVAVVWTLCD-NSHDSACASA-N -1 1 389.880 2.200 20 0 GEADMM CCc1n[nH]c(=O)c(CNC(=O)c2cc(Br)ccc2[O-])c1CC ZINC000120923123 532001898 /nfs/dbraw/zinc/00/18/98/532001898.db2.gz CLVRWUIIPLHJLE-UHFFFAOYSA-N -1 1 380.242 2.293 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1nc(-c2ccccc2)no1 ZINC000120980840 532005762 /nfs/dbraw/zinc/00/57/62/532005762.db2.gz OPYZMFVVVFNERA-SNVBAGLBSA-N -1 1 381.845 2.206 20 0 GEADMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C2CC2)n1 ZINC000173463780 532013290 /nfs/dbraw/zinc/01/32/90/532013290.db2.gz DTXJLOMKLHOWBV-CQSZACIVSA-N -1 1 386.520 2.285 20 0 GEADMM Cc1cc(C(=O)Nc2cc(Br)ccc2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174177860 532053786 /nfs/dbraw/zinc/05/37/86/532053786.db2.gz NRIISWWJVOEVCH-UHFFFAOYSA-N -1 1 393.172 2.486 20 0 GEADMM Cc1cc(C(=O)Nc2cc(Br)ccc2F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000174177860 532053790 /nfs/dbraw/zinc/05/37/90/532053790.db2.gz NRIISWWJVOEVCH-UHFFFAOYSA-N -1 1 393.172 2.486 20 0 GEADMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000122520203 532073289 /nfs/dbraw/zinc/07/32/89/532073289.db2.gz VCKJETWDZLBEOE-SECBINFHSA-N -1 1 399.266 2.293 20 0 GEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1ccc(F)c(Cl)c1 ZINC000123469049 532100749 /nfs/dbraw/zinc/10/07/49/532100749.db2.gz TXHZVNMABSYOFO-ZDUSSCGKSA-N -1 1 375.830 2.286 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCNC(=O)[C@H]1c1ccccc1 ZINC000125356217 532134770 /nfs/dbraw/zinc/13/47/70/532134770.db2.gz YLOSWOCUKOJJKU-OAHLLOKOSA-N -1 1 375.222 2.468 20 0 GEADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1sccc1Br)N1CCOCC1 ZINC000126438099 532149031 /nfs/dbraw/zinc/14/90/31/532149031.db2.gz ODSCEJYYZZSGEC-GFCCVEGCSA-N -1 1 397.360 2.146 20 0 GEADMM CCC[C@H](NC(=O)c1ccc(I)c(F)c1)c1nn[n-]n1 ZINC000176776522 532149412 /nfs/dbraw/zinc/14/94/12/532149412.db2.gz AGNTXFGGFBJMCQ-JTQLQIEISA-N -1 1 389.172 2.215 20 0 GEADMM C[C@@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc(Br)cc1 ZINC000128369510 532163472 /nfs/dbraw/zinc/16/34/72/532163472.db2.gz HYDKRQGWVNIGJV-QMMMGPOBSA-N -1 1 387.259 2.103 20 0 GEADMM C[C@@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc(Br)cc1 ZINC000128369510 532163474 /nfs/dbraw/zinc/16/34/74/532163474.db2.gz HYDKRQGWVNIGJV-QMMMGPOBSA-N -1 1 387.259 2.103 20 0 GEADMM O=C(CSc1cccc(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129506815 532179693 /nfs/dbraw/zinc/17/96/93/532179693.db2.gz DYNSRQGFNKAGCY-SNVBAGLBSA-N -1 1 382.287 2.461 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C)cc2Br)cn1C ZINC000129498255 532179936 /nfs/dbraw/zinc/17/99/36/532179936.db2.gz YGWLGSMBARELLE-UHFFFAOYSA-N -1 1 388.243 2.078 20 0 GEADMM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000130700199 532193675 /nfs/dbraw/zinc/19/36/75/532193675.db2.gz MDPFHGHTSZSFDD-MRVPVSSYSA-N -1 1 376.360 2.044 20 0 GEADMM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000130700199 532193679 /nfs/dbraw/zinc/19/36/79/532193679.db2.gz MDPFHGHTSZSFDD-MRVPVSSYSA-N -1 1 376.360 2.044 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)[n-]1 ZINC000133177287 532228771 /nfs/dbraw/zinc/22/87/71/532228771.db2.gz COTZCEAEQAFBMJ-UHFFFAOYSA-N -1 1 377.813 2.176 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)n1 ZINC000133177287 532228773 /nfs/dbraw/zinc/22/87/73/532228773.db2.gz COTZCEAEQAFBMJ-UHFFFAOYSA-N -1 1 377.813 2.176 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)co1 ZINC000179239639 532226528 /nfs/dbraw/zinc/22/65/28/532226528.db2.gz MRIBXFVYMIMPHJ-UHFFFAOYSA-N -1 1 378.328 2.016 20 0 GEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000179764544 532242760 /nfs/dbraw/zinc/24/27/60/532242760.db2.gz OVLYFDPUEZASSX-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000133779201 532242947 /nfs/dbraw/zinc/24/29/47/532242947.db2.gz CSUMDAOWTJVGTI-JTQLQIEISA-N -1 1 382.873 2.329 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000134174826 532251292 /nfs/dbraw/zinc/25/12/92/532251292.db2.gz JISUHCFASDPDSU-ZDUSSCGKSA-N -1 1 384.479 2.243 20 0 GEADMM Cc1cc(Br)cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000135335739 532271217 /nfs/dbraw/zinc/27/12/17/532271217.db2.gz MUWKMURDDWWXCY-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000134349816 532255014 /nfs/dbraw/zinc/25/50/14/532255014.db2.gz HDJCHBAJWROHPS-IAQYHMDHSA-N -1 1 394.269 2.474 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1C ZINC000139174617 532293250 /nfs/dbraw/zinc/29/32/50/532293250.db2.gz PTLDRKLSVOZWFZ-UHFFFAOYSA-N -1 1 380.491 2.193 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)c1cc(Br)ccc1F)(C(N)=O)C(C)C ZINC000181523862 532300374 /nfs/dbraw/zinc/30/03/74/532300374.db2.gz QCBYTJPPLPVKIZ-ZDUSSCGKSA-N -1 1 381.267 2.157 20 0 GEADMM O=C(CS(=O)(=O)c1nc[n-]n1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000150952121 532304697 /nfs/dbraw/zinc/30/46/97/532304697.db2.gz ABTJNLHYCHZAGJ-LBPRGKRZSA-N -1 1 389.264 2.249 20 0 GEADMM O=C(NC[C@@H](O)COc1ccccc1Br)c1cc(F)ccc1[O-] ZINC000150993989 532305963 /nfs/dbraw/zinc/30/59/63/532305963.db2.gz AZGYPLJCDTZTGY-LLVKDONJSA-N -1 1 384.201 2.464 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)co1 ZINC000182490389 532314011 /nfs/dbraw/zinc/31/40/11/532314011.db2.gz JICPIACBBSMEGY-ZFWWWQNUSA-N -1 1 384.841 2.101 20 0 GEADMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000185216770 532337231 /nfs/dbraw/zinc/33/72/31/532337231.db2.gz FMZXTXIPVVZMQI-QMMMGPOBSA-N -1 1 383.289 2.020 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000186205193 532340180 /nfs/dbraw/zinc/34/01/80/532340180.db2.gz JECJKJRHJHYBBN-CQSZACIVSA-N -1 1 384.841 2.055 20 0 GEADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000186984075 532342778 /nfs/dbraw/zinc/34/27/78/532342778.db2.gz GZTPYWMGFMWHQH-UHFFFAOYSA-N -1 1 378.523 2.356 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(Cc3ccccc3)cs2)o1 ZINC000184491867 532333247 /nfs/dbraw/zinc/33/32/47/532333247.db2.gz HBBZVVWQEJXUKL-UHFFFAOYSA-N -1 1 377.447 2.487 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)c(C)c1 ZINC000184676146 532334298 /nfs/dbraw/zinc/33/42/98/532334298.db2.gz KXSIDVOUKUOBCU-UHFFFAOYSA-N -1 1 380.491 2.426 20 0 GEADMM CC1CCN(CCNS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC000184916317 532335905 /nfs/dbraw/zinc/33/59/05/532335905.db2.gz RPZNTJNAJPKVFG-UHFFFAOYSA-N -1 1 378.853 2.188 20 0 GEADMM Cc1nccc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n1 ZINC000184946836 532336081 /nfs/dbraw/zinc/33/60/81/532336081.db2.gz IKPJHPYNMQMMJN-UHFFFAOYSA-N -1 1 377.242 2.216 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc(Cl)c1F ZINC000184979172 532336496 /nfs/dbraw/zinc/33/64/96/532336496.db2.gz 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GEADMM O=C(c1cccc(Br)c1[O-])N1CCC[C@H](CN2CCOCC2)C1 ZINC000558721139 532398218 /nfs/dbraw/zinc/39/82/18/532398218.db2.gz SDHZNDAQGWCETD-CYBMUJFWSA-N -1 1 383.286 2.339 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@@H]1CCCOC1 ZINC000560037465 532409274 /nfs/dbraw/zinc/40/92/74/532409274.db2.gz OGEWYHZHMWKKKT-QMTHXVAHSA-N -1 1 379.837 2.116 20 0 GEADMM Cc1cc(CS(=O)(=O)c2nc(-c3ccccc3Br)n[n-]2)ncn1 ZINC000427047563 532409357 /nfs/dbraw/zinc/40/93/57/532409357.db2.gz WNDPJXJEXAVGNO-UHFFFAOYSA-N -1 1 394.254 2.307 20 0 GEADMM Cc1cc(CS(=O)(=O)c2n[n-]c(-c3ccccc3Br)n2)ncn1 ZINC000427047563 532409366 /nfs/dbraw/zinc/40/93/66/532409366.db2.gz WNDPJXJEXAVGNO-UHFFFAOYSA-N -1 1 394.254 2.307 20 0 GEADMM COC(=O)c1sc(S(=O)(=O)NCc2n[nH]c(C(C)C)n2)c(C)c1Cl ZINC000295169828 532412355 /nfs/dbraw/zinc/41/23/55/532412355.db2.gz AITIUVUCNFUMRX-UHFFFAOYSA-N -1 1 392.890 2.217 20 0 GEADMM C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)n1cc(Br)cn1 ZINC000649210074 532415816 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GEADMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(=O)OC ZINC000592078911 532439255 /nfs/dbraw/zinc/43/92/55/532439255.db2.gz WIBOZJZRPKAPBC-ZETCQYMHSA-N -1 1 386.214 2.205 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561540533 532445531 /nfs/dbraw/zinc/44/55/31/532445531.db2.gz JZHRAQPEQUYECF-ZETCQYMHSA-N -1 1 395.277 2.199 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000428420571 532453807 /nfs/dbraw/zinc/45/38/07/532453807.db2.gz IDJVEHOHNOGTGO-CQSZACIVSA-N -1 1 386.832 2.327 20 0 GEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000428703984 532458772 /nfs/dbraw/zinc/45/87/72/532458772.db2.gz YUWPPUGEEMVPFT-JTQLQIEISA-N -1 1 381.479 2.480 20 0 GEADMM CCC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000562176687 532459304 /nfs/dbraw/zinc/45/93/04/532459304.db2.gz BBHJOTBUSPFPOV-NSHDSACASA-N -1 1 395.308 2.299 20 0 GEADMM O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(I)c([O-])c1 ZINC000428782617 532460550 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CO[C@@H](C)c1noc(CS(=O)(=O)c2nnc(-c3ccc(Cl)cc3)[n-]2)n1 ZINC000195111552 532469961 /nfs/dbraw/zinc/46/99/61/532469961.db2.gz UNRQMMKIZOCJCB-QMMMGPOBSA-N -1 1 383.817 2.189 20 0 GEADMM CO[C@@H](C)c1noc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000195111552 532469964 /nfs/dbraw/zinc/46/99/64/532469964.db2.gz UNRQMMKIZOCJCB-QMMMGPOBSA-N -1 1 383.817 2.189 20 0 GEADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccc(I)c([O-])c1 ZINC000220948056 532483761 /nfs/dbraw/zinc/48/37/61/532483761.db2.gz YSXMHDULRPCRNH-ZDUSSCGKSA-N -1 1 397.212 2.330 20 0 GEADMM CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000222860530 532485973 /nfs/dbraw/zinc/48/59/73/532485973.db2.gz IDVKYCUGXHMVDZ-UHFFFAOYSA-N -1 1 394.272 2.306 20 0 GEADMM Cn1cncc1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000520303116 532489513 /nfs/dbraw/zinc/48/95/13/532489513.db2.gz OAXRXZOKNZZWIX-UHFFFAOYSA-N -1 1 396.669 2.496 20 0 GEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000593650239 532493038 /nfs/dbraw/zinc/49/30/38/532493038.db2.gz 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CCOC(=O)c1c[n-]c(NC(=O)[C@H]2COc3ccc(Br)cc32)n1 ZINC000415635811 532851601 /nfs/dbraw/zinc/85/16/01/532851601.db2.gz DNJMFIKFSKGRMD-JTQLQIEISA-N -1 1 380.198 2.464 20 0 GEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)no1 ZINC000289481328 532856095 /nfs/dbraw/zinc/85/60/95/532856095.db2.gz IGUUWODARHZMGH-ZETCQYMHSA-N -1 1 396.288 2.470 20 0 GEADMM COc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000332597856 532857946 /nfs/dbraw/zinc/85/79/46/532857946.db2.gz PRLNOFAKEUTCNS-UHFFFAOYSA-N -1 1 376.722 2.321 20 0 GEADMM COc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1Br ZINC000416127674 532864527 /nfs/dbraw/zinc/86/45/27/532864527.db2.gz TVYMSAQFQSFYNK-SSDOTTSWSA-N -1 1 398.213 2.159 20 0 GEADMM C[C@](N)(C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000333297347 532866417 /nfs/dbraw/zinc/86/64/17/532866417.db2.gz ILSSLPGXSGQODX-JCURWCKSSA-N -1 1 381.270 2.336 20 0 GEADMM O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1sccc1Br ZINC000275194773 532868255 /nfs/dbraw/zinc/86/82/55/532868255.db2.gz FXTMRFLFLQACRW-YFKPBYRVSA-N -1 1 382.179 2.195 20 0 GEADMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000275283776 532871067 /nfs/dbraw/zinc/87/10/67/532871067.db2.gz KWONLXFXMNVFNL-QWRGUYRKSA-N -1 1 391.280 2.321 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(F)cc1Br ZINC000416399449 532876097 /nfs/dbraw/zinc/87/60/97/532876097.db2.gz DLCQSRTWFACDRD-VIFPVBQESA-N -1 1 380.157 2.098 20 0 GEADMM O=C(CCSc1ccccn1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290271675 532876941 /nfs/dbraw/zinc/87/69/41/532876941.db2.gz CAJVEGUIBUCOER-GFCCVEGCSA-N -1 1 375.416 2.481 20 0 GEADMM CC(C)N(C1CCC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000349482516 532881835 /nfs/dbraw/zinc/88/18/35/532881835.db2.gz SGYSJWXDRXVAIJ-UHFFFAOYSA-N -1 1 396.481 2.182 20 0 GEADMM CC(C)[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349518677 532881890 /nfs/dbraw/zinc/88/18/90/532881890.db2.gz OEABSVANMTXWKF-GFCCVEGCSA-N -1 1 397.950 2.173 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H](C)C2)nc1 ZINC000349560016 532882636 /nfs/dbraw/zinc/88/26/36/532882636.db2.gz ACHKKZKFVXMSBO-DZGCQCFKSA-N -1 1 389.543 2.020 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000275789925 532882939 /nfs/dbraw/zinc/88/29/39/532882939.db2.gz GMUPOGXZDSORRZ-SNVBAGLBSA-N -1 1 380.198 2.365 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[C@@H](C)C2)nc1 ZINC000349560017 532882969 /nfs/dbraw/zinc/88/29/69/532882969.db2.gz ACHKKZKFVXMSBO-HIFRSBDPSA-N -1 1 389.543 2.020 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)n1 ZINC000290545665 532883699 /nfs/dbraw/zinc/88/36/99/532883699.db2.gz PTPJSIMCOWOPBT-UHFFFAOYSA-N -1 1 376.360 2.426 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CCC1)C(F)F ZINC000349480930 532881361 /nfs/dbraw/zinc/88/13/61/532881361.db2.gz LUZJWVVCJNPIPC-GFCCVEGCSA-N -1 1 396.481 2.182 20 0 GEADMM COCc1cnc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290619126 532885202 /nfs/dbraw/zinc/88/52/02/532885202.db2.gz IKXRTAFHOXINEA-SECBINFHSA-N -1 1 380.392 2.212 20 0 GEADMM COCc1cnc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290619130 532885458 /nfs/dbraw/zinc/88/54/58/532885458.db2.gz IKXRTAFHOXINEA-VIFPVBQESA-N -1 1 380.392 2.212 20 0 GEADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 ZINC000290636785 532885892 /nfs/dbraw/zinc/88/58/92/532885892.db2.gz YNCCCIVADFJGLE-JTQLQIEISA-N -1 1 395.308 2.203 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C3CCCCC3)C2)s1 ZINC000364131405 532903975 /nfs/dbraw/zinc/90/39/75/532903975.db2.gz VWPQFILDJQXLDG-CYBMUJFWSA-N -1 1 386.539 2.451 20 0 GEADMM CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCO1 ZINC000291653347 532906187 /nfs/dbraw/zinc/90/61/87/532906187.db2.gz UUNIPESABFYRGU-LLVKDONJSA-N -1 1 395.308 2.299 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2nc3cc(Cl)ccn3n2)c(=O)[n-]1 ZINC000291750120 532908373 /nfs/dbraw/zinc/90/83/73/532908373.db2.gz YKAZLUYGCWLGEX-UHFFFAOYSA-N -1 1 378.845 2.480 20 0 GEADMM O=C(c1cc(I)ccc1O)N1CCC(c2nc[nH]n2)CC1 ZINC000365912644 532913061 /nfs/dbraw/zinc/91/30/61/532913061.db2.gz QPBUOQAOBWGAOV-UHFFFAOYSA-N -1 1 398.204 2.135 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCC(c2nnc[nH]2)CC1 ZINC000365912644 532913062 /nfs/dbraw/zinc/91/30/62/532913062.db2.gz QPBUOQAOBWGAOV-UHFFFAOYSA-N -1 1 398.204 2.135 20 0 GEADMM C[C@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000292201318 532914061 /nfs/dbraw/zinc/91/40/61/532914061.db2.gz GRCGITKRKQUCJP-HAFWLYHUSA-N -1 1 385.795 2.420 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000293170689 532923097 /nfs/dbraw/zinc/92/30/97/532923097.db2.gz RYKSZGAMNQSXAJ-JTQLQIEISA-N -1 1 383.779 2.104 20 0 GEADMM Cn1cc(Br)c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000293188244 532923305 /nfs/dbraw/zinc/92/33/05/532923305.db2.gz FBNJUJICKFUXGT-VIFPVBQESA-N -1 1 383.212 2.073 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000293226726 532923859 /nfs/dbraw/zinc/92/38/59/532923859.db2.gz VUEVAZANRHWBOG-LLVKDONJSA-N -1 1 397.806 2.494 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)Oc1ccccc1F ZINC000293419838 532926589 /nfs/dbraw/zinc/92/65/89/532926589.db2.gz IPUIICHMJGEOSG-VIFPVBQESA-N -1 1 381.351 2.324 20 0 GEADMM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Br)cc1[O-] ZINC000368803224 532934639 /nfs/dbraw/zinc/93/46/39/532934639.db2.gz BQMSCFPVCKISGO-HNNXBMFYSA-N -1 1 389.249 2.468 20 0 GEADMM O=C(CCCOc1ccc(Cl)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370862051 532945938 /nfs/dbraw/zinc/94/59/38/532945938.db2.gz ZOYUAOKXGRYMGW-ZDUSSCGKSA-N -1 1 386.239 2.266 20 0 GEADMM O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370862839 532945956 /nfs/dbraw/zinc/94/59/56/532945956.db2.gz RZMYRZFFKGRGEV-CYBMUJFWSA-N -1 1 377.495 2.282 20 0 GEADMM O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1ccc(Br)cc1[O-] ZINC000370600610 532944495 /nfs/dbraw/zinc/94/44/95/532944495.db2.gz ZIYHILZIVYDKIR-GFCCVEGCSA-N -1 1 390.237 2.194 20 0 GEADMM CCCn1nc2c(cc1=O)CN(C(=O)c1cc(Br)ccc1[O-])CC2 ZINC000371177117 532947232 /nfs/dbraw/zinc/94/72/32/532947232.db2.gz RLFMDVHOKIYZEV-UHFFFAOYSA-N -1 1 392.253 2.320 20 0 GEADMM COCCOCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737006931 598834059 /nfs/dbraw/zinc/83/40/59/598834059.db2.gz VMHJOGZGEGPYBG-UHFFFAOYSA-N -1 1 387.465 2.265 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000737488511 598839553 /nfs/dbraw/zinc/83/95/53/598839553.db2.gz WIJULSJDUXBFDE-VXGBXAGGSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000737488511 598839555 /nfs/dbraw/zinc/83/95/55/598839555.db2.gz WIJULSJDUXBFDE-VXGBXAGGSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nn(-c2ccccc2)c(Cn2cnc3c(C)cccc3c2=O)c1-c1nn[n-]n1 ZINC000737502819 598862103 /nfs/dbraw/zinc/86/21/03/598862103.db2.gz BORMYMRZPIDVTE-UHFFFAOYSA-N -1 1 398.430 2.427 20 0 GEADMM CCOC[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736608027 598864401 /nfs/dbraw/zinc/86/44/01/598864401.db2.gz GJKIXEQZHOVOGA-CQSZACIVSA-N -1 1 384.440 2.448 20 0 GEADMM CCOC[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736608027 598864402 /nfs/dbraw/zinc/86/44/02/598864402.db2.gz GJKIXEQZHOVOGA-CQSZACIVSA-N -1 1 384.440 2.448 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)C1CCCC1 ZINC000737487499 598866205 /nfs/dbraw/zinc/86/62/05/598866205.db2.gz KYRXZOVIUKORHH-NSHDSACASA-N -1 1 382.472 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)C1CCCC1 ZINC000737487499 598866206 /nfs/dbraw/zinc/86/62/06/598866206.db2.gz KYRXZOVIUKORHH-NSHDSACASA-N -1 1 382.472 2.154 20 0 GEADMM Cc1c(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)cccc1C(=O)[O-] ZINC000737217964 598866956 /nfs/dbraw/zinc/86/69/56/598866956.db2.gz ITBCKHSQKCJJNH-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM Cn1ccnc1CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737614914 598890857 /nfs/dbraw/zinc/89/08/57/598890857.db2.gz CBQCTUWLVRLKGJ-UHFFFAOYSA-N -1 1 394.464 2.328 20 0 GEADMM CCc1ocnc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736712357 598901720 /nfs/dbraw/zinc/90/17/20/598901720.db2.gz DLSATRDCNKPBSE-UHFFFAOYSA-N -1 1 379.380 2.268 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CC[C@H](CO)C1 ZINC000738111117 598908621 /nfs/dbraw/zinc/90/86/21/598908621.db2.gz HXDDBDUTWIWXAA-ZDUSSCGKSA-N -1 1 384.465 2.119 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCCOc2cccnc2)c1-c1nn[n-]n1 ZINC000737189738 598913030 /nfs/dbraw/zinc/91/30/30/598913030.db2.gz PUKBNJLPICSSSA-UHFFFAOYSA-N -1 1 397.464 2.065 20 0 GEADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1OC ZINC000737041982 598929193 /nfs/dbraw/zinc/92/91/93/598929193.db2.gz YEKKXALDCKHFMY-UHFFFAOYSA-N -1 1 389.437 2.302 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@H]1CSC(=O)N1 ZINC000737279253 598931008 /nfs/dbraw/zinc/93/10/08/598931008.db2.gz IFZKEJAOXMAVJP-CYBMUJFWSA-N -1 1 397.420 2.126 20 0 GEADMM COC(=O)c1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)ccc1OC ZINC000736941804 598934989 /nfs/dbraw/zinc/93/49/89/598934989.db2.gz VQCVYYQAFDXGEO-UHFFFAOYSA-N -1 1 391.391 2.217 20 0 GEADMM COC(=O)c1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)ccc1OC ZINC000736941804 598934991 /nfs/dbraw/zinc/93/49/91/598934991.db2.gz VQCVYYQAFDXGEO-UHFFFAOYSA-N -1 1 391.391 2.217 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)nn1 ZINC000737353367 598942077 /nfs/dbraw/zinc/94/20/77/598942077.db2.gz VVEIJSATUGUTHC-GFCCVEGCSA-N -1 1 385.863 2.119 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)nn1 ZINC000737353367 598942078 /nfs/dbraw/zinc/94/20/78/598942078.db2.gz VVEIJSATUGUTHC-GFCCVEGCSA-N -1 1 385.863 2.119 20 0 GEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)cc2)n[nH]1 ZINC000737453903 598949544 /nfs/dbraw/zinc/94/95/44/598949544.db2.gz SGYMHBMLQRDPSC-UHFFFAOYSA-N -1 1 396.436 2.069 20 0 GEADMM FC(F)(F)CN1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737627872 598964462 /nfs/dbraw/zinc/96/44/62/598964462.db2.gz RLOMPEMXTJTQKV-UHFFFAOYSA-N -1 1 378.362 2.249 20 0 GEADMM FC(F)(F)CN1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737627872 598964463 /nfs/dbraw/zinc/96/44/63/598964463.db2.gz RLOMPEMXTJTQKV-UHFFFAOYSA-N -1 1 378.362 2.249 20 0 GEADMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cccc1-c1nn[nH]n1 ZINC000822121858 607255194 /nfs/dbraw/zinc/25/51/94/607255194.db2.gz HSSDGFGMDFGUCH-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM O=C1[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000738294563 598964184 /nfs/dbraw/zinc/96/41/84/598964184.db2.gz DHICHDBGCCIFMM-MRXNPFEDSA-N -1 1 386.419 2.023 20 0 GEADMM O=C1[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000738294563 598964185 /nfs/dbraw/zinc/96/41/85/598964185.db2.gz DHICHDBGCCIFMM-MRXNPFEDSA-N -1 1 386.419 2.023 20 0 GEADMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737521216 598985433 /nfs/dbraw/zinc/98/54/33/598985433.db2.gz IBRYBTTXTCJTFG-UHFFFAOYSA-N -1 1 388.435 2.053 20 0 GEADMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737521216 598985435 /nfs/dbraw/zinc/98/54/35/598985435.db2.gz IBRYBTTXTCJTFG-UHFFFAOYSA-N -1 1 388.435 2.053 20 0 GEADMM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738109671 598986309 /nfs/dbraw/zinc/98/63/09/598986309.db2.gz QUUUUJGYHKTEBT-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738109671 598986310 /nfs/dbraw/zinc/98/63/10/598986310.db2.gz QUUUUJGYHKTEBT-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=C(NCc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738094191 598990075 /nfs/dbraw/zinc/99/00/75/598990075.db2.gz CYWJCCPATFZNPM-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(NCc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738094191 598990076 /nfs/dbraw/zinc/99/00/76/598990076.db2.gz CYWJCCPATFZNPM-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738115953 598993513 /nfs/dbraw/zinc/99/35/13/598993513.db2.gz GOBXRWDZWGAQMF-UHFFFAOYSA-N -1 1 387.403 2.166 20 0 GEADMM O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738115953 598993514 /nfs/dbraw/zinc/99/35/14/598993514.db2.gz GOBXRWDZWGAQMF-UHFFFAOYSA-N -1 1 387.403 2.166 20 0 GEADMM CC(C)OCCOCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735904083 598998422 /nfs/dbraw/zinc/99/84/22/598998422.db2.gz KYDKMKKIFPENFK-UHFFFAOYSA-N -1 1 382.424 2.456 20 0 GEADMM CC(C)OCCOCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735904083 598998423 /nfs/dbraw/zinc/99/84/23/598998423.db2.gz KYDKMKKIFPENFK-UHFFFAOYSA-N -1 1 382.424 2.456 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738183183 599000833 /nfs/dbraw/zinc/00/08/33/599000833.db2.gz JKIDRRRYNSIHCE-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738183183 599000835 /nfs/dbraw/zinc/00/08/35/599000835.db2.gz JKIDRRRYNSIHCE-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737510143 599022473 /nfs/dbraw/zinc/02/24/73/599022473.db2.gz RJEUVSPXIDDULJ-UHFFFAOYSA-N -1 1 388.435 2.118 20 0 GEADMM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737510143 599022476 /nfs/dbraw/zinc/02/24/76/599022476.db2.gz RJEUVSPXIDDULJ-UHFFFAOYSA-N -1 1 388.435 2.118 20 0 GEADMM O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738124354 599023540 /nfs/dbraw/zinc/02/35/40/599023540.db2.gz MGFLMLNSASNPKO-UHFFFAOYSA-N -1 1 387.403 2.166 20 0 GEADMM O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738124354 599023542 /nfs/dbraw/zinc/02/35/42/599023542.db2.gz MGFLMLNSASNPKO-UHFFFAOYSA-N -1 1 387.403 2.166 20 0 GEADMM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737343657 599028240 /nfs/dbraw/zinc/02/82/40/599028240.db2.gz ROEYDQSKXBMUOV-CYBMUJFWSA-N -1 1 397.870 2.480 20 0 GEADMM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737343657 599028241 /nfs/dbraw/zinc/02/82/41/599028241.db2.gz ROEYDQSKXBMUOV-CYBMUJFWSA-N -1 1 397.870 2.480 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000738259225 599032450 /nfs/dbraw/zinc/03/24/50/599032450.db2.gz ONBZGWIFSAPRIG-UHFFFAOYSA-N -1 1 389.463 2.177 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000738259225 599032452 /nfs/dbraw/zinc/03/24/52/599032452.db2.gz ONBZGWIFSAPRIG-UHFFFAOYSA-N -1 1 389.463 2.177 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738354042 599033710 /nfs/dbraw/zinc/03/37/10/599033710.db2.gz GSNLFXDQSLTTIX-GFCCVEGCSA-N -1 1 391.403 2.323 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738354042 599033712 /nfs/dbraw/zinc/03/37/12/599033712.db2.gz GSNLFXDQSLTTIX-GFCCVEGCSA-N -1 1 391.403 2.323 20 0 GEADMM Cn1cc(N2CCC[C@@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2)cn1 ZINC000822680406 599036857 /nfs/dbraw/zinc/03/68/57/599036857.db2.gz OBVSGUCBOUTSNK-CYBMUJFWSA-N -1 1 375.440 2.229 20 0 GEADMM Cn1cc(N2CCC[C@@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cn1 ZINC000822680406 599036860 /nfs/dbraw/zinc/03/68/60/599036860.db2.gz OBVSGUCBOUTSNK-CYBMUJFWSA-N -1 1 375.440 2.229 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000476328412 599097468 /nfs/dbraw/zinc/09/74/68/599097468.db2.gz XYBKPYBWGROTGZ-UHFFFAOYSA-N -1 1 393.812 2.108 20 0 GEADMM CCc1nsc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)n1 ZINC000821558891 599099399 /nfs/dbraw/zinc/09/93/99/599099399.db2.gz JQDRNDIFHVBYHS-UHFFFAOYSA-N -1 1 393.480 2.155 20 0 GEADMM CCc1nsc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000821558891 599099401 /nfs/dbraw/zinc/09/94/01/599099401.db2.gz JQDRNDIFHVBYHS-UHFFFAOYSA-N -1 1 393.480 2.155 20 0 GEADMM CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735652154 599130726 /nfs/dbraw/zinc/13/07/26/599130726.db2.gz CBRMJLIIRGPURH-UHFFFAOYSA-N -1 1 380.408 2.355 20 0 GEADMM CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735652154 599130728 /nfs/dbraw/zinc/13/07/28/599130728.db2.gz CBRMJLIIRGPURH-UHFFFAOYSA-N -1 1 380.408 2.355 20 0 GEADMM O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738232704 599133359 /nfs/dbraw/zinc/13/33/59/599133359.db2.gz OGQAEZFQCMPXGD-UHFFFAOYSA-N -1 1 392.419 2.245 20 0 GEADMM O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738232704 599133361 /nfs/dbraw/zinc/13/33/61/599133361.db2.gz OGQAEZFQCMPXGD-UHFFFAOYSA-N -1 1 392.419 2.245 20 0 GEADMM CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736481764 599138959 /nfs/dbraw/zinc/13/89/59/599138959.db2.gz UROLMZISPFORCW-UHFFFAOYSA-N -1 1 394.435 2.166 20 0 GEADMM CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736481764 599138961 /nfs/dbraw/zinc/13/89/61/599138961.db2.gz UROLMZISPFORCW-UHFFFAOYSA-N -1 1 394.435 2.166 20 0 GEADMM CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736426648 599139005 /nfs/dbraw/zinc/13/90/05/599139005.db2.gz SPCPZLOJFRGAAM-CJNGLKHVSA-N -1 1 394.435 2.465 20 0 GEADMM CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736426648 599139007 /nfs/dbraw/zinc/13/90/07/599139007.db2.gz SPCPZLOJFRGAAM-CJNGLKHVSA-N -1 1 394.435 2.465 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(OC(F)F)cc1 ZINC000736158416 599140816 /nfs/dbraw/zinc/14/08/16/599140816.db2.gz PMTJVVBVCAOOHH-VIFPVBQESA-N -1 1 389.318 2.291 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(OC(F)F)cc1 ZINC000736158416 599140818 /nfs/dbraw/zinc/14/08/18/599140818.db2.gz PMTJVVBVCAOOHH-VIFPVBQESA-N -1 1 389.318 2.291 20 0 GEADMM O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738216020 599141656 /nfs/dbraw/zinc/14/16/56/599141656.db2.gz UXOBFUQGITWGKN-QGZVFWFLSA-N -1 1 392.419 2.172 20 0 GEADMM O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738216020 599141657 /nfs/dbraw/zinc/14/16/57/599141657.db2.gz UXOBFUQGITWGKN-QGZVFWFLSA-N -1 1 392.419 2.172 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736158839 599142450 /nfs/dbraw/zinc/14/24/50/599142450.db2.gz SMFUGEZAMDJTCF-QWHCGFSZSA-N -1 1 392.419 2.175 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736158839 599142452 /nfs/dbraw/zinc/14/24/52/599142452.db2.gz SMFUGEZAMDJTCF-QWHCGFSZSA-N -1 1 392.419 2.175 20 0 GEADMM C[C@H](C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C(C)(C)C ZINC000735571404 599144420 /nfs/dbraw/zinc/14/44/20/599144420.db2.gz CYBQSUMKEWAKPM-GFCCVEGCSA-N -1 1 397.439 2.216 20 0 GEADMM C[C@H](C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C(C)(C)C ZINC000735571404 599144422 /nfs/dbraw/zinc/14/44/22/599144422.db2.gz CYBQSUMKEWAKPM-GFCCVEGCSA-N -1 1 397.439 2.216 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nnc(-c3cccc(F)c3)o2)c2ccccc12 ZINC000738372893 599167714 /nfs/dbraw/zinc/16/77/14/599167714.db2.gz XZRCYRKSOOGZLE-UHFFFAOYSA-N -1 1 389.350 2.419 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC2(CCCC2)C1 ZINC000822459187 599207152 /nfs/dbraw/zinc/20/71/52/599207152.db2.gz OQIUGTOPURVMQS-UHFFFAOYSA-N -1 1 394.483 2.252 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC2(CCCC2)C1 ZINC000822459187 599207154 /nfs/dbraw/zinc/20/71/54/599207154.db2.gz OQIUGTOPURVMQS-UHFFFAOYSA-N -1 1 394.483 2.252 20 0 GEADMM C[C@H](NS(=O)(=O)c1scc(Br)c1Br)C(=O)[O-] ZINC000261591144 597303007 /nfs/dbraw/zinc/30/30/07/597303007.db2.gz VCBAGWMTUAHSLH-VKHMYHEASA-N -1 1 393.078 2.025 20 0 GEADMM C[C@H](C(=O)Nc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)n1cccn1 ZINC000819877200 607308517 /nfs/dbraw/zinc/30/85/17/607308517.db2.gz RAHADHIAEOJITR-GFCCVEGCSA-N -1 1 378.396 2.468 20 0 GEADMM C[C@H](C(=O)Nc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)n1cccn1 ZINC000819877200 607308518 /nfs/dbraw/zinc/30/85/18/607308518.db2.gz RAHADHIAEOJITR-GFCCVEGCSA-N -1 1 378.396 2.468 20 0 GEADMM Cc1c(NCc2ccc(-c3nn[n-]n3)s2)cccc1C(=O)N1CCOCC1 ZINC000822121369 607309843 /nfs/dbraw/zinc/30/98/43/607309843.db2.gz FSWHFNJOCZBZIL-UHFFFAOYSA-N -1 1 384.465 2.321 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@@H](O)C1 ZINC000823493509 607315546 /nfs/dbraw/zinc/31/55/46/607315546.db2.gz OURBNPLLADQSSJ-CQSZACIVSA-N -1 1 384.465 2.137 20 0 GEADMM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000820620132 598022658 /nfs/dbraw/zinc/02/26/58/598022658.db2.gz GLUZQZZCLXIVPC-IAGOWNOFSA-N -1 1 385.395 2.024 20 0 GEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000822486836 607328090 /nfs/dbraw/zinc/32/80/90/607328090.db2.gz UASPLNWEYUREHX-UHFFFAOYSA-N -1 1 379.421 2.201 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1Cc2ccccc2C(F)(F)C1 ZINC000823607390 607332366 /nfs/dbraw/zinc/33/23/66/607332366.db2.gz TVEYUIYOAYJVPA-UHFFFAOYSA-N -1 1 395.366 2.302 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)Cc1ccccc1 ZINC000738356208 598261585 /nfs/dbraw/zinc/26/15/85/598261585.db2.gz ZAESKQXEFXVFLC-UHFFFAOYSA-N -1 1 396.432 2.246 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)Cc1ccccc1 ZINC000738356208 598261587 /nfs/dbraw/zinc/26/15/87/598261587.db2.gz ZAESKQXEFXVFLC-UHFFFAOYSA-N -1 1 396.432 2.246 20 0 GEADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737286060 598265528 /nfs/dbraw/zinc/26/55/28/598265528.db2.gz YBDBVASLYGALDX-CQSZACIVSA-N -1 1 388.453 2.155 20 0 GEADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737286060 598265529 /nfs/dbraw/zinc/26/55/29/598265529.db2.gz YBDBVASLYGALDX-CQSZACIVSA-N -1 1 388.453 2.155 20 0 GEADMM CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736831538 598265717 /nfs/dbraw/zinc/26/57/17/598265717.db2.gz NSPAODUAJKSFGR-UHFFFAOYSA-N -1 1 386.462 2.297 20 0 GEADMM CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736831538 598265719 /nfs/dbraw/zinc/26/57/19/598265719.db2.gz NSPAODUAJKSFGR-UHFFFAOYSA-N -1 1 386.462 2.297 20 0 GEADMM CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735827668 598268389 /nfs/dbraw/zinc/26/83/89/598268389.db2.gz SQTKCMYIYGKWRJ-UHFFFAOYSA-N -1 1 386.481 2.151 20 0 GEADMM CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735827668 598268391 /nfs/dbraw/zinc/26/83/91/598268391.db2.gz SQTKCMYIYGKWRJ-UHFFFAOYSA-N -1 1 386.481 2.151 20 0 GEADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597889 598268448 /nfs/dbraw/zinc/26/84/48/598268448.db2.gz TXSZPOSTQVFEKT-GXTWGEPZSA-N -1 1 378.502 2.393 20 0 GEADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597889 598268450 /nfs/dbraw/zinc/26/84/50/598268450.db2.gz TXSZPOSTQVFEKT-GXTWGEPZSA-N -1 1 378.502 2.393 20 0 GEADMM CCc1nn(Cc2cc(-c3cccs3)on2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708747 598378398 /nfs/dbraw/zinc/37/83/98/598378398.db2.gz ZXUMZHLOFIJJMR-UHFFFAOYSA-N -1 1 383.437 2.313 20 0 GEADMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736584396 598400017 /nfs/dbraw/zinc/40/00/17/598400017.db2.gz FUAIMFUVUYDPDB-LLVKDONJSA-N -1 1 399.382 2.480 20 0 GEADMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736584396 598400019 /nfs/dbraw/zinc/40/00/19/598400019.db2.gz FUAIMFUVUYDPDB-LLVKDONJSA-N -1 1 399.382 2.480 20 0 GEADMM Cn1nccc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737628778 598400656 /nfs/dbraw/zinc/40/06/56/598400656.db2.gz QCQVFNNGJSZWIK-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM Cn1nccc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737628778 598400657 /nfs/dbraw/zinc/40/06/57/598400657.db2.gz QCQVFNNGJSZWIK-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736472767 598410413 /nfs/dbraw/zinc/41/04/13/598410413.db2.gz ZCQXFNRCGHFIMY-LLVKDONJSA-N -1 1 392.485 2.111 20 0 GEADMM O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(Cl)ccc1[O-] ZINC000738033312 598449842 /nfs/dbraw/zinc/44/98/42/598449842.db2.gz XVFPXWWEGVFWCU-UHFFFAOYSA-N -1 1 399.842 2.020 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000736636822 598467547 /nfs/dbraw/zinc/46/75/47/598467547.db2.gz SSUBJNYNKDQCKW-SCDSUCTJSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1nccnc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000736636822 598467548 /nfs/dbraw/zinc/46/75/48/598467548.db2.gz SSUBJNYNKDQCKW-SCDSUCTJSA-N -1 1 379.424 2.347 20 0 GEADMM O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1c([O-])cccc1Cl ZINC000738032057 598474119 /nfs/dbraw/zinc/47/41/19/598474119.db2.gz KCQXFMRXZIKGMK-UHFFFAOYSA-N -1 1 399.842 2.020 20 0 GEADMM CC(C)C[C@@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735761927 598495864 /nfs/dbraw/zinc/49/58/64/598495864.db2.gz RYBLTYKQQYSJOT-CYBMUJFWSA-N -1 1 387.488 2.453 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000737981945 598504554 /nfs/dbraw/zinc/50/45/54/598504554.db2.gz KXLVBTANJYJLGS-UHFFFAOYSA-N -1 1 382.330 2.099 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1noc2c1CCCC2 ZINC000737201046 598542277 /nfs/dbraw/zinc/54/22/77/598542277.db2.gz PQQIYWRZRAQSOY-UHFFFAOYSA-N -1 1 398.423 2.127 20 0 GEADMM CS(=O)(=O)Cc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737165415 598579157 /nfs/dbraw/zinc/57/91/57/598579157.db2.gz JGXCJBJYSYHOCX-UHFFFAOYSA-N -1 1 378.845 2.072 20 0 GEADMM CS(=O)(=O)Cc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737165415 598579159 /nfs/dbraw/zinc/57/91/59/598579159.db2.gz JGXCJBJYSYHOCX-UHFFFAOYSA-N -1 1 378.845 2.072 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2noc(Cc3ccccc3)n2)c2ccccc21 ZINC000738372450 598585922 /nfs/dbraw/zinc/58/59/22/598585922.db2.gz QKZWVTIZZBTWEV-UHFFFAOYSA-N -1 1 385.387 2.204 20 0 GEADMM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736189298 598604113 /nfs/dbraw/zinc/60/41/13/598604113.db2.gz SMMCVSNAFUICKO-ZDUSSCGKSA-N -1 1 389.419 2.344 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(COc2ccccc2)no1 ZINC000737198144 598608704 /nfs/dbraw/zinc/60/87/04/598608704.db2.gz GVJSCNKFCGRMIV-UHFFFAOYSA-N -1 1 393.407 2.331 20 0 GEADMM CCc1nn(CC(=O)c2ccc(OC(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705486 598641946 /nfs/dbraw/zinc/64/19/46/598641946.db2.gz JEAJGZQMQFOULS-UHFFFAOYSA-N -1 1 396.451 2.218 20 0 GEADMM CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736564794 598663417 /nfs/dbraw/zinc/66/34/17/598663417.db2.gz KWTVJJVPTZOFFB-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736305964 598688521 /nfs/dbraw/zinc/68/85/21/598688521.db2.gz VZACGGBNXJNVKD-SECBINFHSA-N -1 1 379.442 2.375 20 0 GEADMM CC(C)Oc1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735913206 598691101 /nfs/dbraw/zinc/69/11/01/598691101.db2.gz LGJZESQVMVCEMF-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735678669 598694090 /nfs/dbraw/zinc/69/40/90/598694090.db2.gz UTIMWCJDFLFKQU-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(OC2CCCC2)CC1 ZINC000738355829 598694259 /nfs/dbraw/zinc/69/42/59/598694259.db2.gz UXZKOGPICAAZBY-UHFFFAOYSA-N -1 1 395.460 2.118 20 0 GEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737203307 598710019 /nfs/dbraw/zinc/71/00/19/598710019.db2.gz SWNMMDZYEMNLAT-UHFFFAOYSA-N -1 1 382.405 2.333 20 0 GEADMM C[C@H]1CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)C1 ZINC000736268353 598720671 /nfs/dbraw/zinc/72/06/71/598720671.db2.gz WKYHAIOTVRPSSX-NSHDSACASA-N -1 1 386.843 2.094 20 0 GEADMM CC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CCCC1 ZINC000736202750 598808465 /nfs/dbraw/zinc/80/84/65/598808465.db2.gz JMATYSAPANYOHY-UHFFFAOYSA-N -1 1 397.439 2.344 20 0 GEADMM CCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000736689419 599293080 /nfs/dbraw/zinc/29/30/80/599293080.db2.gz WOSQOEAVZWNPBO-HNNXBMFYSA-N -1 1 388.453 2.333 20 0 GEADMM CCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000736689419 599293082 /nfs/dbraw/zinc/29/30/82/599293082.db2.gz WOSQOEAVZWNPBO-HNNXBMFYSA-N -1 1 388.453 2.333 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)cc1 ZINC000823392002 599300814 /nfs/dbraw/zinc/30/08/14/599300814.db2.gz KNPTYYNQHJUNGE-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM CCn1cc(CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)cn1 ZINC000736722834 599303427 /nfs/dbraw/zinc/30/34/27/599303427.db2.gz PCQGGHUDXPZSHK-UHFFFAOYSA-N -1 1 384.469 2.007 20 0 GEADMM O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037330 599335871 /nfs/dbraw/zinc/33/58/71/599335871.db2.gz GBCOGNQHHBWNIO-CYBMUJFWSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037330 599335874 /nfs/dbraw/zinc/33/58/74/599335874.db2.gz GBCOGNQHHBWNIO-CYBMUJFWSA-N -1 1 379.207 2.032 20 0 GEADMM COc1ccc([C@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821778046 599336020 /nfs/dbraw/zinc/33/60/20/599336020.db2.gz SLVJSVGWBFFYDW-NSHDSACASA-N -1 1 391.428 2.396 20 0 GEADMM COc1ccc([C@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821778046 599336022 /nfs/dbraw/zinc/33/60/22/599336022.db2.gz SLVJSVGWBFFYDW-NSHDSACASA-N -1 1 391.428 2.396 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2cc(F)ccc21 ZINC000823605829 599339210 /nfs/dbraw/zinc/33/92/10/599339210.db2.gz BQFUAHILVGVUHB-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2cc(F)ccc21 ZINC000823605829 599339213 /nfs/dbraw/zinc/33/92/13/599339213.db2.gz BQFUAHILVGVUHB-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM C[C@@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820569897 599339260 /nfs/dbraw/zinc/33/92/60/599339260.db2.gz AFSUBIBUOYVJLH-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(CCc3ccccc3)no2)c2ccccc21 ZINC000823657654 599343539 /nfs/dbraw/zinc/34/35/39/599343539.db2.gz TXBRDKVYMSRERO-UHFFFAOYSA-N -1 1 399.414 2.398 20 0 GEADMM CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821592599 599345926 /nfs/dbraw/zinc/34/59/26/599345926.db2.gz MLXRRNGWOAOVJN-CQSZACIVSA-N -1 1 387.440 2.184 20 0 GEADMM CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821592599 599345929 /nfs/dbraw/zinc/34/59/29/599345929.db2.gz MLXRRNGWOAOVJN-CQSZACIVSA-N -1 1 387.440 2.184 20 0 GEADMM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822233461 599350181 /nfs/dbraw/zinc/35/01/81/599350181.db2.gz PKDNIACXCDHTDA-QGZVFWFLSA-N -1 1 384.465 2.486 20 0 GEADMM Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822233461 599350184 /nfs/dbraw/zinc/35/01/84/599350184.db2.gz PKDNIACXCDHTDA-QGZVFWFLSA-N -1 1 384.465 2.486 20 0 GEADMM Cc1cc(C=O)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000822198925 599356171 /nfs/dbraw/zinc/35/61/71/599356171.db2.gz OIWLSJNXLXRZFZ-UHFFFAOYSA-N -1 1 376.369 2.203 20 0 GEADMM COc1cc(OC)cc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn2C)c1 ZINC000737051971 599400027 /nfs/dbraw/zinc/40/00/27/599400027.db2.gz NZUBWPHFSQOGQM-QGZVFWFLSA-N -1 1 392.423 2.214 20 0 GEADMM COc1cc(OC)cc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn2C)c1 ZINC000737051971 599400029 /nfs/dbraw/zinc/40/00/29/599400029.db2.gz NZUBWPHFSQOGQM-QGZVFWFLSA-N -1 1 392.423 2.214 20 0 GEADMM COc1ccc(Cl)cc1CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737098282 599404938 /nfs/dbraw/zinc/40/49/38/599404938.db2.gz AXGMMWHNFWXUHS-UHFFFAOYSA-N -1 1 385.859 2.246 20 0 GEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736137013 599411954 /nfs/dbraw/zinc/41/19/54/599411954.db2.gz JQAJXZUILLSWCV-LBPRGKRZSA-N -1 1 379.424 2.092 20 0 GEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736137013 599411957 /nfs/dbraw/zinc/41/19/57/599411957.db2.gz JQAJXZUILLSWCV-LBPRGKRZSA-N -1 1 379.424 2.092 20 0 GEADMM O=C(c1ccc(Cl)cc1)N1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738259335 599418011 /nfs/dbraw/zinc/41/80/11/599418011.db2.gz ZAAWVBVWLBXIHD-UHFFFAOYSA-N -1 1 383.843 2.268 20 0 GEADMM O=C(c1ccc(Cl)cc1)N1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738259335 599418012 /nfs/dbraw/zinc/41/80/12/599418012.db2.gz ZAAWVBVWLBXIHD-UHFFFAOYSA-N -1 1 383.843 2.268 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1-c1nn[n-]n1 ZINC000821979790 599446172 /nfs/dbraw/zinc/44/61/72/599446172.db2.gz XIWKSUUACPDSJD-UHFFFAOYSA-N -1 1 388.457 2.253 20 0 GEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736058002 599479253 /nfs/dbraw/zinc/47/92/53/599479253.db2.gz YLONUWZXXDTZBA-NSHDSACASA-N -1 1 392.872 2.167 20 0 GEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736058002 599479254 /nfs/dbraw/zinc/47/92/54/599479254.db2.gz YLONUWZXXDTZBA-NSHDSACASA-N -1 1 392.872 2.167 20 0 GEADMM COCCOc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000821693756 599481084 /nfs/dbraw/zinc/48/10/84/599481084.db2.gz MTZJEKBPCZVUOF-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM COCCOc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000821693756 599481086 /nfs/dbraw/zinc/48/10/86/599481086.db2.gz MTZJEKBPCZVUOF-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC(c2nnc3n2CCC3)CC1 ZINC000823792508 599484618 /nfs/dbraw/zinc/48/46/18/599484618.db2.gz VYFYNEZNXBDURQ-UHFFFAOYSA-N -1 1 387.451 2.337 20 0 GEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC(c2nnc3n2CCC3)CC1 ZINC000823792508 599484619 /nfs/dbraw/zinc/48/46/19/599484619.db2.gz VYFYNEZNXBDURQ-UHFFFAOYSA-N -1 1 387.451 2.337 20 0 GEADMM Cc1nc(CN2CCCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)oc1C ZINC000822439984 599535313 /nfs/dbraw/zinc/53/53/13/599535313.db2.gz HMWACCBEEVCPBN-UHFFFAOYSA-N -1 1 394.892 2.294 20 0 GEADMM Cc1nc(CN2CCCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)oc1C ZINC000822439984 599535316 /nfs/dbraw/zinc/53/53/16/599535316.db2.gz HMWACCBEEVCPBN-UHFFFAOYSA-N -1 1 394.892 2.294 20 0 GEADMM c1cnc(-c2nnn[n-]2)c(Nc2ccc(OCc3noc(C4CC4)n3)cc2)n1 ZINC000823809368 599580780 /nfs/dbraw/zinc/58/07/80/599580780.db2.gz LRSTUAFHVCPJSD-UHFFFAOYSA-N -1 1 377.368 2.240 20 0 GEADMM c1cnc(-c2nn[n-]n2)c(Nc2ccc(OCc3noc(C4CC4)n3)cc2)n1 ZINC000823809368 599580782 /nfs/dbraw/zinc/58/07/82/599580782.db2.gz LRSTUAFHVCPJSD-UHFFFAOYSA-N -1 1 377.368 2.240 20 0 GEADMM CCCOC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000821127357 599651899 /nfs/dbraw/zinc/65/18/99/599651899.db2.gz GGQNWMVRIHLWDV-VIFPVBQESA-N -1 1 391.453 2.360 20 0 GEADMM CCCOC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821127357 599651900 /nfs/dbraw/zinc/65/19/00/599651900.db2.gz GGQNWMVRIHLWDV-VIFPVBQESA-N -1 1 391.453 2.360 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCCOCC2CC2)c1-c1nnn[n-]1 ZINC000821989925 599652066 /nfs/dbraw/zinc/65/20/66/599652066.db2.gz OFTHMZCEMGYBAU-UHFFFAOYSA-N -1 1 375.454 2.444 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCCOCC2CC2)c1-c1nn[n-]n1 ZINC000821989925 599652067 /nfs/dbraw/zinc/65/20/67/599652067.db2.gz OFTHMZCEMGYBAU-UHFFFAOYSA-N -1 1 375.454 2.444 20 0 GEADMM CC(C)CO[C@@H](C)c1noc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000820097301 599658750 /nfs/dbraw/zinc/65/87/50/599658750.db2.gz MECLASSVVAMGFC-VIFPVBQESA-N -1 1 378.414 2.402 20 0 GEADMM O=C(O[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823393506 599661743 /nfs/dbraw/zinc/66/17/43/599661743.db2.gz YLXLUAVVFALQGW-OAHLLOKOSA-N -1 1 398.810 2.268 20 0 GEADMM O=C(O[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823393506 599661744 /nfs/dbraw/zinc/66/17/44/599661744.db2.gz YLXLUAVVFALQGW-OAHLLOKOSA-N -1 1 398.810 2.268 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(O)ccc2O)c1-c1nn[n-]n1 ZINC000822486438 599662430 /nfs/dbraw/zinc/66/24/30/599662430.db2.gz KAMOWYVFJZOMPG-UHFFFAOYSA-N -1 1 392.375 2.129 20 0 GEADMM C[C@@H](CCO)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820247754 599675263 /nfs/dbraw/zinc/67/52/63/599675263.db2.gz AGWVMOHNPVWSPV-LBPRGKRZSA-N -1 1 386.481 2.413 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)N1CCN(C)CC1 ZINC000736354321 599715222 /nfs/dbraw/zinc/71/52/22/599715222.db2.gz WERUKRXDOOOMNV-INIZCTEOSA-N -1 1 381.452 2.309 20 0 GEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C\c2cccc(Br)c2)n1 ZINC000739920262 599738847 /nfs/dbraw/zinc/73/88/47/599738847.db2.gz KUGYOFGZUDVRLY-ALCCZGGFSA-N -1 1 386.227 2.143 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000737688624 599753694 /nfs/dbraw/zinc/75/36/94/599753694.db2.gz NJVCAAGDCBWIJC-UHFFFAOYSA-N -1 1 389.389 2.157 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000736649501 599755089 /nfs/dbraw/zinc/75/50/89/599755089.db2.gz HJXSRIXXYIQQQP-BLLLJJGKSA-N -1 1 380.404 2.013 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(-c2cccnc2)no1 ZINC000736390946 599776776 /nfs/dbraw/zinc/77/67/76/599776776.db2.gz XJGWUUXPWWMMID-CYBMUJFWSA-N -1 1 392.393 2.098 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000737122905 599795856 /nfs/dbraw/zinc/79/58/56/599795856.db2.gz NJXWMOLWXDHNBX-GJZGRUSLSA-N -1 1 392.475 2.145 20 0 GEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000740145746 599802321 /nfs/dbraw/zinc/80/23/21/599802321.db2.gz XSHKXRVRHXPUEJ-UHFFFAOYSA-N -1 1 398.387 2.300 20 0 GEADMM CC(C)[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736392206 599831937 /nfs/dbraw/zinc/83/19/37/599831937.db2.gz UBXHQQSMRIPMTQ-CQSZACIVSA-N -1 1 389.481 2.307 20 0 GEADMM CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736931650 599839764 /nfs/dbraw/zinc/83/97/64/599839764.db2.gz HOVFCDXFFCPVGS-QRWLVFNGSA-N -1 1 389.452 2.139 20 0 GEADMM CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000591683505 599853397 /nfs/dbraw/zinc/85/33/97/599853397.db2.gz VYVOIMCKVOQYMW-UHFFFAOYSA-N -1 1 381.406 2.358 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736652333 599854914 /nfs/dbraw/zinc/85/49/14/599854914.db2.gz FAVZMQVHRQHXFP-GFCCVEGCSA-N -1 1 396.403 2.173 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000738527274 599957541 /nfs/dbraw/zinc/95/75/41/599957541.db2.gz ZJYWQTBIXITIKP-INIZCTEOSA-N -1 1 383.452 2.023 20 0 GEADMM Cc1sc(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)c(C(=O)[O-])c1C ZINC000738399706 599969330 /nfs/dbraw/zinc/96/93/30/599969330.db2.gz WNBJADVFUFWGEV-CYBMUJFWSA-N -1 1 377.470 2.005 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cccc3c2ccn3C)c1 ZINC000737683363 599981539 /nfs/dbraw/zinc/98/15/39/599981539.db2.gz ROPGRESJSPUAOE-UHFFFAOYSA-N -1 1 388.401 2.464 20 0 GEADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000610706772 600005826 /nfs/dbraw/zinc/00/58/26/600005826.db2.gz SBYVNRJGDIYILN-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM CC(C)[C@H](NC(=O)CN1CCC(C(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000430672681 600033837 /nfs/dbraw/zinc/03/38/37/600033837.db2.gz VXUSVGXJJXRQLA-IBGZPJMESA-N -1 1 376.453 2.068 20 0 GEADMM CC(C)[C@@H](NC(=O)CN1CCC(C(=O)[O-])CC1)c1ccc2c(c1)OCCCO2 ZINC000262606394 600034074 /nfs/dbraw/zinc/03/40/74/600034074.db2.gz AWWHRLBLVXRHDQ-HXUWFJFHSA-N -1 1 390.480 2.458 20 0 GEADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccnn2C(C)C)c1OC ZINC000737873910 600053567 /nfs/dbraw/zinc/05/35/67/600053567.db2.gz SYFPOIUUFBTFRV-AATRIKPKSA-N -1 1 395.437 2.380 20 0 GEADMM C[C@@](NC(=O)c1[nH]nc2c1CCC2)(C(=O)[O-])c1cccc(Br)c1 ZINC000736660862 600071267 /nfs/dbraw/zinc/07/12/67/600071267.db2.gz PFFUXOSMGLJBOW-INIZCTEOSA-N -1 1 378.226 2.391 20 0 GEADMM Cc1sc(NC(=O)COC(=O)c2[nH]nc3c2CCCC3)c(C(=O)[O-])c1C ZINC000738397736 600087497 /nfs/dbraw/zinc/08/74/97/600087497.db2.gz FXMWPYDBYWKKSR-UHFFFAOYSA-N -1 1 377.422 2.461 20 0 GEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000740143166 600098361 /nfs/dbraw/zinc/09/83/61/600098361.db2.gz FRMJLKZEANQUFK-UHFFFAOYSA-N -1 1 398.387 2.300 20 0 GEADMM COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000737829008 600099795 /nfs/dbraw/zinc/09/97/95/600099795.db2.gz NWWKXXVWKGHSQK-UHFFFAOYSA-N -1 1 385.369 2.056 20 0 GEADMM CC[C@@](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)(C(=O)OC)c1ccccc1 ZINC000736920393 600135414 /nfs/dbraw/zinc/13/54/14/600135414.db2.gz MWXYVKHOJNUUFI-SFHVURJKSA-N -1 1 395.408 2.281 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC000164681484 600139671 /nfs/dbraw/zinc/13/96/71/600139671.db2.gz DEVLPEITXLAXOC-LLVKDONJSA-N -1 1 397.357 2.021 20 0 GEADMM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822328412 607425027 /nfs/dbraw/zinc/42/50/27/607425027.db2.gz PIOFMMKZAKDVDE-CVEARBPZSA-N -1 1 396.455 2.420 20 0 GEADMM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822328412 607425028 /nfs/dbraw/zinc/42/50/28/607425028.db2.gz PIOFMMKZAKDVDE-CVEARBPZSA-N -1 1 396.455 2.420 20 0 GEADMM Cc1ccc2c(=O)c(C(=O)NC[C@H](Cc3ccc(O)cc3)C(=O)[O-])c[n-]c2[nH+]1 ZINC000738666656 600180862 /nfs/dbraw/zinc/18/08/62/600180862.db2.gz UCMBQTSMYPCVJK-ZDUSSCGKSA-N -1 1 381.388 2.023 20 0 GEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000736488681 600183351 /nfs/dbraw/zinc/18/33/51/600183351.db2.gz VLLBERXPEPXQAP-DLBZAZTESA-N -1 1 391.468 2.235 20 0 GEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCc2ccccc2CC1 ZINC000739295287 600216090 /nfs/dbraw/zinc/21/60/90/600216090.db2.gz QFVMGSXTJCMQSG-OAQYLSRUSA-N -1 1 391.471 2.381 20 0 GEADMM CN(C)CCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737370354 600224657 /nfs/dbraw/zinc/22/46/57/600224657.db2.gz PKJNQOFEJRRJMU-UHFFFAOYSA-N -1 1 390.505 2.321 20 0 GEADMM O=C([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000390533757 600234857 /nfs/dbraw/zinc/23/48/57/600234857.db2.gz JNNMIMGPTFHOSD-IBGZPJMESA-N -1 1 388.489 2.469 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(O)c1 ZINC000609905730 600244546 /nfs/dbraw/zinc/24/45/46/600244546.db2.gz QSUFZLDNILXQPU-UHFFFAOYSA-N -1 1 379.390 2.376 20 0 GEADMM CCOC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000737163170 600285675 /nfs/dbraw/zinc/28/56/75/600285675.db2.gz ZJRZTPJFHNKKOC-KBPBESRZSA-N -1 1 392.452 2.247 20 0 GEADMM CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000737163173 600285926 /nfs/dbraw/zinc/28/59/26/600285926.db2.gz ZJRZTPJFHNKKOC-ZIAGYGMSSA-N -1 1 392.452 2.247 20 0 GEADMM CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000737163172 600285941 /nfs/dbraw/zinc/28/59/41/600285941.db2.gz ZJRZTPJFHNKKOC-UONOGXRCSA-N -1 1 392.452 2.247 20 0 GEADMM O=C([O-])c1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1F ZINC000739405871 600298314 /nfs/dbraw/zinc/29/83/14/600298314.db2.gz VWOUVETYELHJCT-GOSISDBHSA-N -1 1 399.422 2.416 20 0 GEADMM CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737439100 600309470 /nfs/dbraw/zinc/30/94/70/600309470.db2.gz FLGATSLKWSASNJ-KRWDZBQOSA-N -1 1 378.444 2.240 20 0 GEADMM O=C([O-])C1(NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000739307326 600320175 /nfs/dbraw/zinc/32/01/75/600320175.db2.gz MNAGSCJWKHPPJL-UHFFFAOYSA-N -1 1 379.888 2.366 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)CC1 ZINC000736768438 600326667 /nfs/dbraw/zinc/32/66/67/600326667.db2.gz JJHHWGRTGUQDOX-UHFFFAOYSA-N -1 1 391.443 2.185 20 0 GEADMM C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N(C)C[C@H](C)C(=O)[O-] ZINC000736572746 600365691 /nfs/dbraw/zinc/36/56/91/600365691.db2.gz QINCRUMVFZJWPI-UONOGXRCSA-N -1 1 387.436 2.189 20 0 GEADMM C[C@H](CN(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)C(=O)[O-] ZINC000263156041 600366092 /nfs/dbraw/zinc/36/60/92/600366092.db2.gz FTSAXZWMMGLXLK-KUHUBIRLSA-N -1 1 384.432 2.425 20 0 GEADMM COC(=O)c1c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000737652750 600370994 /nfs/dbraw/zinc/37/09/94/600370994.db2.gz WVPSLSBBDOURDD-WDEREUQCSA-N -1 1 382.482 2.251 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1-c1nn[n-]n1 ZINC000821978749 607440054 /nfs/dbraw/zinc/44/00/54/607440054.db2.gz MPASEWZJKUQXKM-NILFDRSVSA-N -1 1 394.460 2.147 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)ccc1F ZINC000737154404 600391916 /nfs/dbraw/zinc/39/19/16/600391916.db2.gz TWHGJTMOPMPBQO-UHFFFAOYSA-N -1 1 383.353 2.207 20 0 GEADMM O=C([O-])[C@H](c1ccccc1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000738526107 600400237 /nfs/dbraw/zinc/40/02/37/600400237.db2.gz PZBICVWZIITLHI-NRFANRHFSA-N -1 1 379.460 2.019 20 0 GEADMM O=C([O-])[C@H](c1ccccc1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000739514524 600409900 /nfs/dbraw/zinc/40/99/00/600409900.db2.gz SUQONWPJIWRINK-QFIPXVFZSA-N -1 1 393.487 2.409 20 0 GEADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCCN(C[C@H]3CCCO3)CC2)c(C)c1C(=O)[O-] ZINC000738235690 600435263 /nfs/dbraw/zinc/43/52/63/600435263.db2.gz JOBUWWWKCLUHKH-HZPDHXFCSA-N -1 1 377.485 2.088 20 0 GEADMM Cc1oc(CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000738966496 600437142 /nfs/dbraw/zinc/43/71/42/600437142.db2.gz FYAJINZDXNYOEP-UHFFFAOYSA-N -1 1 381.473 2.271 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736649533 600464389 /nfs/dbraw/zinc/46/43/89/600464389.db2.gz IDHRUUSHEAVSLM-GFCCVEGCSA-N -1 1 395.419 2.130 20 0 GEADMM CC(C)CN(CC(=O)N1CCC(C(=O)[O-])CC1)C[C@@H](O)c1ccc(F)cc1 ZINC000736438056 600557717 /nfs/dbraw/zinc/55/77/17/600557717.db2.gz RASHHJNUGXESMZ-GOSISDBHSA-N -1 1 380.460 2.140 20 0 GEADMM CC[C@@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)C(=O)[O-] ZINC000736862575 600561650 /nfs/dbraw/zinc/56/16/50/600561650.db2.gz CZRHLEAEBSFBHL-XTZNXHDOSA-N -1 1 382.482 2.441 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@@H](C)OC[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549023 607454665 /nfs/dbraw/zinc/45/46/65/607454665.db2.gz RZPXDZMATPYRAN-MLGOLLRUSA-N -1 1 396.451 2.477 20 0 GEADMM CCOC(=O)C1C(CS[C@H](C)CC(=O)[O-])=NC(=O)N[C@H]1c1ccccc1 ZINC000737133799 600591428 /nfs/dbraw/zinc/59/14/28/600591428.db2.gz KRBNWJMLTLZVSJ-BZNIZROVSA-N -1 1 378.450 2.454 20 0 GEADMM COc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1N1CCCC1=O ZINC000298833512 600673090 /nfs/dbraw/zinc/67/30/90/600673090.db2.gz BCRDNELIXXAPPB-UHFFFAOYSA-N -1 1 396.446 2.383 20 0 GEADMM C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN(CCC(=O)[O-])C1CCOCC1)C2=O ZINC000828157102 600719084 /nfs/dbraw/zinc/71/90/84/600719084.db2.gz YVDGMKXHMNAOII-VBKZILBWSA-N -1 1 395.500 2.036 20 0 GEADMM C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN(CCC(=O)[O-])C1CCOCC1)C2=O ZINC000828157106 600719129 /nfs/dbraw/zinc/71/91/29/600719129.db2.gz YVDGMKXHMNAOII-XOBRGWDASA-N -1 1 395.500 2.036 20 0 GEADMM O=C([O-])[C@H](c1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 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/nfs/dbraw/zinc/87/19/33/601871933.db2.gz FZBUJYAOAWSMTR-INIZCTEOSA-N -1 1 383.489 2.296 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])N1CCCCC1 ZINC000739966127 601877057 /nfs/dbraw/zinc/87/70/57/601877057.db2.gz ZMWQURJMTYIGCP-HZPDHXFCSA-N -1 1 393.509 2.391 20 0 GEADMM O=C([O-])C[C@@H]1CSCCN1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000833222939 601891709 /nfs/dbraw/zinc/89/17/09/601891709.db2.gz RZWDJFFIDWXAEV-GOSISDBHSA-N -1 1 376.522 2.360 20 0 GEADMM O=C([O-])N1[C@H](C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C[C@@H]2CCCC[C@@H]21 ZINC000740351507 601926834 /nfs/dbraw/zinc/92/68/34/601926834.db2.gz YITIYZRQCRDJTL-XSLAGTTESA-N -1 1 379.501 2.011 20 0 GEADMM O=C(CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NCCOc1ccccc1 ZINC000740368767 601930142 /nfs/dbraw/zinc/93/01/42/601930142.db2.gz LJGQPFRSTPUGQE-MSOLQXFVSA-N -1 1 375.469 2.179 20 0 GEADMM C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263184651 601944137 /nfs/dbraw/zinc/94/41/37/601944137.db2.gz RYDMBHUBQGDFPU-BTDLBPIBSA-N 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CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000739455546 602007031 /nfs/dbraw/zinc/00/70/31/602007031.db2.gz KFQBBHJYQPKPIQ-INIZCTEOSA-N -1 1 389.500 2.435 20 0 GEADMM O=C([O-])N1CCC[C@H](CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740415293 602013161 /nfs/dbraw/zinc/01/31/61/602013161.db2.gz NHUOPOJWGPWANX-MRXNPFEDSA-N -1 1 392.475 2.479 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)N2CCCC2)c1 ZINC000832532432 602055900 /nfs/dbraw/zinc/05/59/00/602055900.db2.gz AGLBPPTVFLWWPX-XLIONFOSSA-N -1 1 375.469 2.338 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)N2CCCC2)c1 ZINC000739944767 602062786 /nfs/dbraw/zinc/06/27/86/602062786.db2.gz GXPFSEYZGLRBIH-QAPCUYQASA-N -1 1 390.484 2.131 20 0 GEADMM CC(C)N(CCC(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1)C(=O)[O-] ZINC000738843122 602063834 /nfs/dbraw/zinc/06/38/34/602063834.db2.gz DYVQFKAJXFAHJB-UHFFFAOYSA-N -1 1 375.429 2.117 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cn1 ZINC000740707958 602085200 /nfs/dbraw/zinc/08/52/00/602085200.db2.gz UFTGNOXZUOMHRJ-INIZCTEOSA-N -1 1 397.435 2.063 20 0 GEADMM Ic1ccccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826379072 607545004 /nfs/dbraw/zinc/54/50/04/607545004.db2.gz IMIGQDMSXLCOPZ-UHFFFAOYSA-N -1 1 379.161 2.445 20 0 GEADMM Ic1ccccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826379072 607545005 /nfs/dbraw/zinc/54/50/05/607545005.db2.gz IMIGQDMSXLCOPZ-UHFFFAOYSA-N -1 1 379.161 2.445 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000828495823 602227604 /nfs/dbraw/zinc/22/76/04/602227604.db2.gz ZBWDLIYRAJNLTG-HBUWYVDXSA-N -1 1 377.485 2.328 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739028881 602270653 /nfs/dbraw/zinc/27/06/53/602270653.db2.gz WTLQMLHUVQXLHT-NSHDSACASA-N -1 1 393.403 2.360 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])cc1OC ZINC000739910205 602275336 /nfs/dbraw/zinc/27/53/36/602275336.db2.gz TYPCGFRBLPDNHW-ZBFHGGJFSA-N -1 1 393.484 2.173 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C[C@H](C)O1 ZINC000739182432 602278969 /nfs/dbraw/zinc/27/89/69/602278969.db2.gz NZRQXFFIYXDWOW-OKILXGFUSA-N -1 1 376.457 2.348 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739600765 602284311 /nfs/dbraw/zinc/28/43/11/602284311.db2.gz AKUUKHQJLWCBLP-SFHVURJKSA-N -1 1 396.447 2.085 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C3(NC(=O)[O-])CCCC3)cc2)C[C@@H](C)O1 ZINC000739185955 602389857 /nfs/dbraw/zinc/38/98/57/602389857.db2.gz RLUUZWBYSUIRPO-HZPDHXFCSA-N -1 1 389.496 2.492 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000739022839 602447798 /nfs/dbraw/zinc/44/77/98/602447798.db2.gz FUHGUWAFAOGZCF-CQSZACIVSA-N -1 1 384.480 2.421 20 0 GEADMM CCc1ccccc1NC(=O)CN1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739550998 602450665 /nfs/dbraw/zinc/45/06/65/602450665.db2.gz ULHIQSQSQNXMFM-QGZVFWFLSA-N -1 1 388.512 2.195 20 0 GEADMM O=C([O-])N1CCC[C@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000740412531 602495453 /nfs/dbraw/zinc/49/54/53/602495453.db2.gz PBJBAIXWBXKGCW-SECBINFHSA-N -1 1 381.230 2.445 20 0 GEADMM CCC(CC)(CNC(=O)[O-])NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000739250039 602520820 /nfs/dbraw/zinc/52/08/20/602520820.db2.gz PAEKYDNGHDUKGB-UHFFFAOYSA-N -1 1 392.481 2.018 20 0 GEADMM O=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826484292 607572054 /nfs/dbraw/zinc/57/20/54/607572054.db2.gz XAYSYZALSGZUJW-UHFFFAOYSA-N -1 1 398.322 2.466 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000739933299 602532413 /nfs/dbraw/zinc/53/24/13/602532413.db2.gz WBXGAFKKMVPANN-RRFJBIMHSA-N -1 1 393.484 2.201 20 0 GEADMM COc1ccc([C@@H](NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C(C)C)cc1 ZINC000739894724 602533791 /nfs/dbraw/zinc/53/37/91/602533791.db2.gz QDVFPYKVDWIJEO-KXBFYZLASA-N -1 1 377.485 2.440 20 0 GEADMM COc1ccc(CN(C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739901251 602537420 /nfs/dbraw/zinc/53/74/20/602537420.db2.gz CUHUUJIOLOZBPC-INIZCTEOSA-N -1 1 375.469 2.118 20 0 GEADMM CCCN(CC(=O)N(C)Cc1ccc(OC)c(F)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352001 602545001 /nfs/dbraw/zinc/54/50/01/602545001.db2.gz SUFKSZLCFWVWDJ-OAHLLOKOSA-N -1 1 381.448 2.257 20 0 GEADMM CCC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825038954 607573658 /nfs/dbraw/zinc/57/36/58/607573658.db2.gz KSVKNNDMIYZKBK-UHFFFAOYSA-N -1 1 376.369 2.366 20 0 GEADMM CCC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825038954 607573659 /nfs/dbraw/zinc/57/36/59/607573659.db2.gz KSVKNNDMIYZKBK-UHFFFAOYSA-N -1 1 376.369 2.366 20 0 GEADMM O=C([O-])N[C@H](CCC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccccc1 ZINC000740541551 602569631 /nfs/dbraw/zinc/56/96/31/602569631.db2.gz ZTHXVJAAKQLUHF-NVXWUHKLSA-N -1 1 380.408 2.194 20 0 GEADMM CC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824010684 607574725 /nfs/dbraw/zinc/57/47/25/607574725.db2.gz QBPSITYPXBGSNP-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000739961620 602611385 /nfs/dbraw/zinc/61/13/85/602611385.db2.gz IFQBBVKNEVIMSP-RDJZCZTQSA-N -1 1 390.484 2.274 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])c2C1 ZINC000738766018 602644038 /nfs/dbraw/zinc/64/40/38/602644038.db2.gz KLTPDQXVLGFXKX-KBPBESRZSA-N -1 1 390.484 2.100 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825146197 607578723 /nfs/dbraw/zinc/57/87/23/607578723.db2.gz AMVNPCCBCLPPGJ-CQSZACIVSA-N -1 1 391.428 2.444 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825146197 607578725 /nfs/dbraw/zinc/57/87/25/607578725.db2.gz AMVNPCCBCLPPGJ-CQSZACIVSA-N -1 1 391.428 2.444 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825149482 607578729 /nfs/dbraw/zinc/57/87/29/607578729.db2.gz YRUSRMFAOVIDQA-HNNXBMFYSA-N -1 1 391.428 2.444 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2ccccc2C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489633 607578914 /nfs/dbraw/zinc/57/89/14/607578914.db2.gz WEXNYDJZSKTHQB-CYBMUJFWSA-N -1 1 389.868 2.356 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2ccccc2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489633 607578916 /nfs/dbraw/zinc/57/89/16/607578916.db2.gz WEXNYDJZSKTHQB-CYBMUJFWSA-N -1 1 389.868 2.356 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740150041 602653414 /nfs/dbraw/zinc/65/34/14/602653414.db2.gz BAVVVKFZGVOGEA-UHFFFAOYSA-N -1 1 384.435 2.289 20 0 GEADMM Cc1cccc(OCCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826300399 607579016 /nfs/dbraw/zinc/57/90/16/607579016.db2.gz TZOYVBBIYRYWRF-UHFFFAOYSA-N -1 1 393.856 2.186 20 0 GEADMM Cc1cccc(OCCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826300399 607579018 /nfs/dbraw/zinc/57/90/18/607579018.db2.gz TZOYVBBIYRYWRF-UHFFFAOYSA-N -1 1 393.856 2.186 20 0 GEADMM O=C([O-])N1CCC[C@@H](CCNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740424199 602657968 /nfs/dbraw/zinc/65/79/68/602657968.db2.gz BKSYLKHPKSNHDW-LBPRGKRZSA-N -1 1 390.419 2.190 20 0 GEADMM O=C([O-])N1CCC[C@@H](CCNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740424199 602657971 /nfs/dbraw/zinc/65/79/71/602657971.db2.gz BKSYLKHPKSNHDW-LBPRGKRZSA-N -1 1 390.419 2.190 20 0 GEADMM O=C([O-])NCCOCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000740667005 602662706 /nfs/dbraw/zinc/66/27/06/602662706.db2.gz BJDVCYWNXJRNHO-UHFFFAOYSA-N -1 1 381.392 2.361 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739455504 602689394 /nfs/dbraw/zinc/68/93/94/602689394.db2.gz ITUJQKLGDBFDTG-MRXNPFEDSA-N -1 1 389.500 2.340 20 0 GEADMM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740424921 602691451 /nfs/dbraw/zinc/69/14/51/602691451.db2.gz BFDJBQVEWDBRJE-HOTGVXAUSA-N -1 1 378.473 2.496 20 0 GEADMM Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117492 602712449 /nfs/dbraw/zinc/71/24/49/602712449.db2.gz KBVIHNAZKQLQFZ-CVEARBPZSA-N -1 1 378.473 2.414 20 0 GEADMM O=S(=O)(NC(C1CC1)C1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487732 607582986 /nfs/dbraw/zinc/58/29/86/607582986.db2.gz YDCMOGUUSWCUJK-UHFFFAOYSA-N -1 1 387.387 2.352 20 0 GEADMM CCOCc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825604847 607583426 /nfs/dbraw/zinc/58/34/26/607583426.db2.gz LFJIIDXSKUYJOR-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM O=C([O-])N1CCCc2cc(NC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)ccc21 ZINC000740464916 602826448 /nfs/dbraw/zinc/82/64/48/602826448.db2.gz LLGDULCFWXURQY-QZTJIDSGSA-N -1 1 388.468 2.180 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000739978056 602884958 /nfs/dbraw/zinc/88/49/58/602884958.db2.gz MYQMCICBEOKKOK-XJKSGUPXSA-N -1 1 377.466 2.485 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCCN1CCc2ccccc2C1 ZINC000739965355 602888973 /nfs/dbraw/zinc/88/89/73/602888973.db2.gz FMJSJRLYHGNEKN-IBGZPJMESA-N -1 1 383.448 2.178 20 0 GEADMM Cc1ccc(C(=O)N[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000822226151 607592721 /nfs/dbraw/zinc/59/27/21/607592721.db2.gz FFTRLKPYADPGTK-KRWDZBQOSA-N -1 1 394.435 2.068 20 0 GEADMM Cc1ccc(C(=O)N[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000822226151 607592723 /nfs/dbraw/zinc/59/27/23/607592723.db2.gz FFTRLKPYADPGTK-KRWDZBQOSA-N -1 1 394.435 2.068 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824641577 607593286 /nfs/dbraw/zinc/59/32/86/607593286.db2.gz XAZUZASIBAAQJG-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824641577 607593287 /nfs/dbraw/zinc/59/32/87/607593287.db2.gz XAZUZASIBAAQJG-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739131933 602930413 /nfs/dbraw/zinc/93/04/13/602930413.db2.gz DRRRLAMEWAEQQO-PMPSAXMXSA-N -1 1 378.473 2.494 20 0 GEADMM CCOc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825654279 607600716 /nfs/dbraw/zinc/60/07/16/607600716.db2.gz VDDGSDCMNIDGFB-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM CCOc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825654279 607600717 /nfs/dbraw/zinc/60/07/17/607600717.db2.gz VDDGSDCMNIDGFB-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739184775 603020598 /nfs/dbraw/zinc/02/05/98/603020598.db2.gz LZKNNEGCYDHQRV-RGCFKVTRSA-N -1 1 389.496 2.348 20 0 GEADMM O=S(=O)(NCc1c(F)cccc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492193 607601222 /nfs/dbraw/zinc/60/12/22/607601222.db2.gz XDPZLQRMFIKRRZ-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM C[C@@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824400177 607603058 /nfs/dbraw/zinc/60/30/58/607603058.db2.gz BPWHALJFZCGLSQ-LBPRGKRZSA-N -1 1 375.429 2.478 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 ZINC000740681932 603057896 /nfs/dbraw/zinc/05/78/96/603057896.db2.gz XHAQBTHXZLUOQX-UHFFFAOYSA-N -1 1 381.348 2.220 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n[nH]1 ZINC000740681932 603057899 /nfs/dbraw/zinc/05/78/99/603057899.db2.gz XHAQBTHXZLUOQX-UHFFFAOYSA-N -1 1 381.348 2.220 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc2)n1 ZINC000740681560 603060221 /nfs/dbraw/zinc/06/02/21/603060221.db2.gz NAKPCQBDMJLGES-OAHLLOKOSA-N -1 1 379.376 2.182 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc2)n[nH]1 ZINC000740681560 603060225 /nfs/dbraw/zinc/06/02/25/603060225.db2.gz NAKPCQBDMJLGES-OAHLLOKOSA-N -1 1 379.376 2.182 20 0 GEADMM Cc1ccccc1C1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826307152 607605107 /nfs/dbraw/zinc/60/51/07/607605107.db2.gz XTJYWZDCYQIPSP-UHFFFAOYSA-N -1 1 387.440 2.324 20 0 GEADMM Cc1ccccc1C1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826307152 607605109 /nfs/dbraw/zinc/60/51/09/607605109.db2.gz XTJYWZDCYQIPSP-UHFFFAOYSA-N -1 1 387.440 2.324 20 0 GEADMM CCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000825639542 607609954 /nfs/dbraw/zinc/60/99/54/607609954.db2.gz YZCZMMLTIBSAMC-UHFFFAOYSA-N -1 1 395.391 2.022 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000826467063 607609969 /nfs/dbraw/zinc/60/99/69/607609969.db2.gz FZOFVJRECGDKQD-QGZVFWFLSA-N -1 1 396.476 2.095 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000826467063 607609970 /nfs/dbraw/zinc/60/99/70/607609970.db2.gz FZOFVJRECGDKQD-QGZVFWFLSA-N -1 1 396.476 2.095 20 0 GEADMM O=S(=O)(N[C@H]1CCc2ccc(F)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488850 607611029 /nfs/dbraw/zinc/61/10/29/607611029.db2.gz AKZQGSDSMFODSL-ZDUSSCGKSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@H]1CCc2ccc(F)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488850 607611031 /nfs/dbraw/zinc/61/10/31/607611031.db2.gz AKZQGSDSMFODSL-ZDUSSCGKSA-N -1 1 377.376 2.111 20 0 GEADMM Cc1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000826323683 607612454 /nfs/dbraw/zinc/61/24/54/607612454.db2.gz NTVQONCHFRTVEC-ZETCQYMHSA-N -1 1 384.874 2.325 20 0 GEADMM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000738805076 603226947 /nfs/dbraw/zinc/22/69/47/603226947.db2.gz JCAYMYKZFMLHHL-GOSISDBHSA-N -1 1 392.481 2.024 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000740570159 603239463 /nfs/dbraw/zinc/23/94/63/603239463.db2.gz QRBFRNCTNUXECO-ROUUACIJSA-N -1 1 388.512 2.141 20 0 GEADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824079584 607618147 /nfs/dbraw/zinc/61/81/47/607618147.db2.gz PPSQGRXCVGEBHK-XHDPSFHLSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824079584 607618148 /nfs/dbraw/zinc/61/81/48/607618148.db2.gz PPSQGRXCVGEBHK-XHDPSFHLSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C1 ZINC000738824987 603292944 /nfs/dbraw/zinc/29/29/44/603292944.db2.gz ODDLLCJMCDCJNV-MRXNPFEDSA-N -1 1 390.484 2.201 20 0 GEADMM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444078993 649935208 /nfs/dbraw/zinc/93/52/08/649935208.db2.gz AROFJXSQCLKLAS-YFKPBYRVSA-N -1 1 390.086 2.298 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@@H](C)O1 ZINC000739181553 603338746 /nfs/dbraw/zinc/33/87/46/603338746.db2.gz JWOIVIJSURYIAY-HUUCEWRRSA-N -1 1 378.473 2.417 20 0 GEADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCCCCN1CCOCC1 ZINC000829182732 603339841 /nfs/dbraw/zinc/33/98/41/603339841.db2.gz QVOKAHQEJBRVIE-UHFFFAOYSA-N -1 1 385.848 2.281 20 0 GEADMM C[C@@H](CC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)NC(=O)[O-] ZINC000824693656 603346846 /nfs/dbraw/zinc/34/68/46/603346846.db2.gz CMHQWBCTTOKNRV-AWEZNQCLSA-N -1 1 376.457 2.486 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000739600730 603381878 /nfs/dbraw/zinc/38/18/78/603381878.db2.gz AFVRJCYIXXGQLO-ZDUSSCGKSA-N -1 1 376.438 2.196 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000826495622 607630393 /nfs/dbraw/zinc/63/03/93/607630393.db2.gz VBKRKAKSNVRKBH-OAHLLOKOSA-N -1 1 389.412 2.237 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CC2)c1 ZINC000830510652 603468028 /nfs/dbraw/zinc/46/80/28/603468028.db2.gz AAFDYWCAQRJIPL-QZTJIDSGSA-N -1 1 388.512 2.060 20 0 GEADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000825502755 603546554 /nfs/dbraw/zinc/54/65/54/603546554.db2.gz KKMDOTFFFGKEPL-GFCCVEGCSA-N -1 1 378.454 2.273 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827228311 603581201 /nfs/dbraw/zinc/58/12/01/603581201.db2.gz MWODYRGDNQKYIS-OAHLLOKOSA-N -1 1 375.473 2.045 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000827228310 603581267 /nfs/dbraw/zinc/58/12/67/603581267.db2.gz MWODYRGDNQKYIS-HNNXBMFYSA-N -1 1 375.473 2.045 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CN(C1CC1)C1CCCCC1)C2=O ZINC000832499532 603595391 /nfs/dbraw/zinc/59/53/91/603595391.db2.gz RHVKRWRFBSCCRV-JLTOFOAXSA-N -1 1 392.500 2.489 20 0 GEADMM CC[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)CC1 ZINC000826674531 603605918 /nfs/dbraw/zinc/60/59/18/603605918.db2.gz AHGPBWRNZWUNNU-SPYBWZPUSA-N -1 1 380.489 2.204 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)N2CCCC2)c1 ZINC000829543576 603613262 /nfs/dbraw/zinc/61/32/62/603613262.db2.gz MWQZWEXIHDQWJX-WMZOPIPTSA-N -1 1 390.484 2.226 20 0 GEADMM COCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccc(C)o1 ZINC000826157969 607640308 /nfs/dbraw/zinc/64/03/08/607640308.db2.gz UHXOROJPTYHISI-UHFFFAOYSA-N -1 1 388.428 2.065 20 0 GEADMM Cc1cccc(O[C@@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826299942 607648867 /nfs/dbraw/zinc/64/88/67/607648867.db2.gz BTQBOMVFSUBDKV-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM CN(CC(=O)Nc1ccc2c(c1)OCCCO2)C1CCC(NC(=O)[O-])CC1 ZINC000828115349 603787935 /nfs/dbraw/zinc/78/79/35/603787935.db2.gz QTTSOFXNEGHZJV-UHFFFAOYSA-N -1 1 377.441 2.297 20 0 GEADMM Cc1ccc(CC[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000826287418 607650949 /nfs/dbraw/zinc/65/09/49/607650949.db2.gz OGSMDTQNBRZJOM-SNVBAGLBSA-N -1 1 379.417 2.207 20 0 GEADMM Cc1ccc(CC[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000826287418 607650950 /nfs/dbraw/zinc/65/09/50/607650950.db2.gz OGSMDTQNBRZJOM-SNVBAGLBSA-N -1 1 379.417 2.207 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829311652 603865064 /nfs/dbraw/zinc/86/50/64/603865064.db2.gz PIHUSJNKZQWXIN-PXNSSMCTSA-N -1 1 375.469 2.338 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)N2CCCC2)c1 ZINC000829543202 603890699 /nfs/dbraw/zinc/89/06/99/603890699.db2.gz GLFUDNYKXPBFKR-MAUKXSAKSA-N -1 1 390.484 2.226 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000824640802 607658834 /nfs/dbraw/zinc/65/88/34/607658834.db2.gz PIZXSWVDHNTQPK-NEPJUHHUSA-N -1 1 375.429 2.476 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)n1 ZINC000832729213 603913642 /nfs/dbraw/zinc/91/36/42/603913642.db2.gz CZNVHXXNCGIVSJ-UHFFFAOYSA-N -1 1 377.364 2.139 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)n[nH]1 ZINC000832729213 603913644 /nfs/dbraw/zinc/91/36/44/603913644.db2.gz CZNVHXXNCGIVSJ-UHFFFAOYSA-N -1 1 377.364 2.139 20 0 GEADMM Cn1ncc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1C1CC1 ZINC000831055359 603913652 /nfs/dbraw/zinc/91/36/52/603913652.db2.gz SSJCYCYIKAXBHS-UHFFFAOYSA-N -1 1 381.396 2.103 20 0 GEADMM Cn1ncc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1C1CC1 ZINC000831055359 603913654 /nfs/dbraw/zinc/91/36/54/603913654.db2.gz SSJCYCYIKAXBHS-UHFFFAOYSA-N -1 1 381.396 2.103 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3noc4c3CCCC4)cc2)n1 ZINC000832730535 603913881 /nfs/dbraw/zinc/91/38/81/603913881.db2.gz UGIKIKMQBIOUFM-UHFFFAOYSA-N -1 1 382.380 2.358 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3noc4c3CCCC4)cc2)n[nH]1 ZINC000832730535 603913883 /nfs/dbraw/zinc/91/38/83/603913883.db2.gz UGIKIKMQBIOUFM-UHFFFAOYSA-N -1 1 382.380 2.358 20 0 GEADMM O=C([O-])N[C@@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1ccccc1 ZINC000832134593 603928417 /nfs/dbraw/zinc/92/84/17/603928417.db2.gz CXXDIZXCDAOBAS-AWEZNQCLSA-N -1 1 384.417 2.363 20 0 GEADMM COC1CCC(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826146308 607664523 /nfs/dbraw/zinc/66/45/23/607664523.db2.gz TUBYUMVSIKOQPZ-UHFFFAOYSA-N -1 1 385.877 2.004 20 0 GEADMM COC1CCC(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826146308 607664525 /nfs/dbraw/zinc/66/45/25/607664525.db2.gz TUBYUMVSIKOQPZ-UHFFFAOYSA-N -1 1 385.877 2.004 20 0 GEADMM Cc1ccc(-c2cnc(CN3CCC[C@@H](C(=O)NCCNC(=O)[O-])C3)o2)cc1 ZINC000830148781 604037697 /nfs/dbraw/zinc/03/76/97/604037697.db2.gz JJDXFQYEQQNWCA-MRXNPFEDSA-N -1 1 386.452 2.246 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000826495469 607668061 /nfs/dbraw/zinc/66/80/61/607668061.db2.gz QAXVMEGDDMFFOZ-NSHDSACASA-N -1 1 393.860 2.159 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000826495469 607668063 /nfs/dbraw/zinc/66/80/63/607668063.db2.gz QAXVMEGDDMFFOZ-NSHDSACASA-N -1 1 393.860 2.159 20 0 GEADMM CC[C@@H](CO)N1CCN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])CC1 ZINC000826586998 604100183 /nfs/dbraw/zinc/10/01/83/604100183.db2.gz LMIBEFFCOKQOTC-INIZCTEOSA-N -1 1 378.473 2.107 20 0 GEADMM COCCN(CC(=O)Nc1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC000828976688 604116250 /nfs/dbraw/zinc/11/62/50/604116250.db2.gz PZRRXFHPQPUNKG-UHFFFAOYSA-N -1 1 381.610 2.373 20 0 GEADMM C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825166858 604135349 /nfs/dbraw/zinc/13/53/49/604135349.db2.gz UZSCBIWOMMGDCX-ZBFHGGJFSA-N -1 1 380.464 2.335 20 0 GEADMM COc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1OC ZINC000829372404 604185986 /nfs/dbraw/zinc/18/59/86/604185986.db2.gz RBNJXBOXIWPWGP-IJEWVQPXSA-N -1 1 393.484 2.077 20 0 GEADMM Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830493647 604189169 /nfs/dbraw/zinc/18/91/69/604189169.db2.gz QWRTUPDKLJNEED-SJORKVTESA-N -1 1 377.485 2.167 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000825263791 604228552 /nfs/dbraw/zinc/22/85/52/604228552.db2.gz IEQAFUQOFVMAIK-LSDHHAIUSA-N -1 1 384.498 2.227 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000825229575 604232708 /nfs/dbraw/zinc/23/27/08/604232708.db2.gz ROSNDJOUQUAWRG-AAEUAGOBSA-N -1 1 390.419 2.189 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000825229575 604232714 /nfs/dbraw/zinc/23/27/14/604232714.db2.gz ROSNDJOUQUAWRG-AAEUAGOBSA-N -1 1 390.419 2.189 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1C ZINC000830386350 604258807 /nfs/dbraw/zinc/25/88/07/604258807.db2.gz KRPFUNWTJJGLFG-LSDHHAIUSA-N -1 1 376.457 2.320 20 0 GEADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000825552772 607682216 /nfs/dbraw/zinc/68/22/16/607682216.db2.gz DRVCESZPXVBHGR-UHFFFAOYSA-N -1 1 388.409 2.236 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCCN(C)Cc2ccc(F)cc2)C1 ZINC000825229248 604271529 /nfs/dbraw/zinc/27/15/29/604271529.db2.gz 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605583873 /nfs/dbraw/zinc/58/38/73/605583873.db2.gz VZZUWVKXWNHHAL-AWEZNQCLSA-N -1 1 381.392 2.389 20 0 GEADMM O=C([O-])C1(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)CCCC1 ZINC000833766750 605632441 /nfs/dbraw/zinc/63/24/41/605632441.db2.gz LNDJWUDYJLDKPY-UHFFFAOYSA-N -1 1 381.517 2.165 20 0 GEADMM Cc1ccc([C@H](CNC(=O)C[C@H]2CSCCN2C(=O)[O-])N2CCCC2)o1 ZINC000830257256 605637530 /nfs/dbraw/zinc/63/75/30/605637530.db2.gz SDHBEOODFLBCGA-GJZGRUSLSA-N -1 1 381.498 2.327 20 0 GEADMM CCc1ncc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)s1 ZINC000833867583 605685330 /nfs/dbraw/zinc/68/53/30/605685330.db2.gz UUHORLSLAMDZKI-DZGCQCFKSA-N -1 1 380.514 2.176 20 0 GEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000834028100 605686146 /nfs/dbraw/zinc/68/61/46/605686146.db2.gz RIQUQIVVKTUDGH-DYVFJYSZSA-N -1 1 381.423 2.435 20 0 GEADMM N=C(NOCc1ncc(-c2cccc(Cl)c2)o1)[C@@H]1COCCN1C(=O)[O-] ZINC000833982184 605733048 /nfs/dbraw/zinc/73/30/48/605733048.db2.gz YETPPEORTZZMFQ-LBPRGKRZSA-N -1 1 380.788 2.372 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000833420623 605785355 /nfs/dbraw/zinc/78/53/55/605785355.db2.gz WXRUADWGMPOYAC-OPAMFIHVSA-N -1 1 384.476 2.410 20 0 GEADMM O=C([O-])N[C@@H]1C[C@@H](NCCS(=O)(=O)NCc2ccccc2)c2ccccc21 ZINC000834157641 605794602 /nfs/dbraw/zinc/79/46/02/605794602.db2.gz ILQLHQOYYRQUEG-QZTJIDSGSA-N -1 1 389.477 2.149 20 0 GEADMM Cc1cc(C(=O)NCc2cccnc2N2CCN(C)CC2)ccc1NC(=O)[O-] ZINC000829957166 605809917 /nfs/dbraw/zinc/80/99/17/605809917.db2.gz YPBPWSSMVUWGHF-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM O=C([O-])N(CCNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834063348 605821725 /nfs/dbraw/zinc/82/17/25/605821725.db2.gz WBJKNHQNPXJSDX-OAHLLOKOSA-N -1 1 384.440 2.461 20 0 GEADMM O=C([O-])NC[C@@H](NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834206453 605822772 /nfs/dbraw/zinc/82/27/72/605822772.db2.gz QUVVLESATCFFCZ-CABCVRRESA-N -1 1 384.440 2.364 20 0 GEADMM O=C([O-])N1CCCC[C@@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834106676 605822941 /nfs/dbraw/zinc/82/29/41/605822941.db2.gz FEHCKVHAGWPBAC-ZIAGYGMSSA-N -1 1 376.461 2.104 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832812 605880977 /nfs/dbraw/zinc/88/09/77/605880977.db2.gz UQIPBGYISIBRCQ-KFWWJZLASA-N -1 1 388.468 2.118 20 0 GEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCCc3ccc(Cl)cc3)C2)CC1 ZINC000834007317 605896324 /nfs/dbraw/zinc/89/63/24/605896324.db2.gz KGVZELZVEMLNKQ-UHFFFAOYSA-N -1 1 379.888 2.465 20 0 GEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833829665 605899666 /nfs/dbraw/zinc/89/96/66/605899666.db2.gz IGGSWFQQKYSUGK-KFWWJZLASA-N -1 1 388.468 2.118 20 0 GEADMM C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200094 605901305 /nfs/dbraw/zinc/90/13/05/605901305.db2.gz WRUOXWWUAPKMMF-GDBMZVCRSA-N -1 1 381.432 2.275 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200094 605901308 /nfs/dbraw/zinc/90/13/08/605901308.db2.gz WRUOXWWUAPKMMF-GDBMZVCRSA-N -1 1 381.432 2.275 20 0 GEADMM O=C([O-])N[C@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000740595851 605936970 /nfs/dbraw/zinc/93/69/70/605936970.db2.gz WLJKAEOAHGOZLK-QWRGUYRKSA-N -1 1 393.665 2.184 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]1NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000834172512 605985835 /nfs/dbraw/zinc/98/58/35/605985835.db2.gz BGNOUBYSIFCFTH-HZPDHXFCSA-N -1 1 381.498 2.140 20 0 GEADMM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C1 ZINC000834192504 606079944 /nfs/dbraw/zinc/07/99/44/606079944.db2.gz FGJNQHHZSYPTRA-SNVBAGLBSA-N -1 1 383.376 2.286 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834151896 606094234 /nfs/dbraw/zinc/09/42/34/606094234.db2.gz YTBONEZMIRKLEP-CVEARBPZSA-N -1 1 383.452 2.267 20 0 GEADMM O=C([O-])NC[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834211495 606094782 /nfs/dbraw/zinc/09/47/82/606094782.db2.gz XCXWWZNWQGMZOP-CVEARBPZSA-N -1 1 383.452 2.440 20 0 GEADMM O=C([O-])NC[C@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834211498 606094826 /nfs/dbraw/zinc/09/48/26/606094826.db2.gz XCXWWZNWQGMZOP-HOTGVXAUSA-N -1 1 383.452 2.440 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccco1 ZINC000820027779 606133881 /nfs/dbraw/zinc/13/38/81/606133881.db2.gz UEYDNZUMBMSZKH-CYBMUJFWSA-N -1 1 375.410 2.019 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccco1 ZINC000820027779 606133880 /nfs/dbraw/zinc/13/38/80/606133880.db2.gz UEYDNZUMBMSZKH-CYBMUJFWSA-N -1 1 375.410 2.019 20 0 GEADMM C[C@@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820513398 606134340 /nfs/dbraw/zinc/13/43/40/606134340.db2.gz ZBSXOMCFVQJGGN-RYUDHWBXSA-N -1 1 385.449 2.393 20 0 GEADMM C[C@@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820513398 606134342 /nfs/dbraw/zinc/13/43/42/606134342.db2.gz ZBSXOMCFVQJGGN-RYUDHWBXSA-N -1 1 385.449 2.393 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCc1cccc(Cl)c1 ZINC000823026899 606136405 /nfs/dbraw/zinc/13/64/05/606136405.db2.gz HWCVVZOPWKGRKH-UHFFFAOYSA-N -1 1 377.813 2.055 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCc1cccc(Cl)c1 ZINC000823026899 606136407 /nfs/dbraw/zinc/13/64/07/606136407.db2.gz HWCVVZOPWKGRKH-UHFFFAOYSA-N -1 1 377.813 2.055 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706354 606137866 /nfs/dbraw/zinc/13/78/66/606137866.db2.gz YXPATARJQKOUCZ-RISCZKNCSA-N -1 1 377.470 2.368 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706354 606137867 /nfs/dbraw/zinc/13/78/67/606137867.db2.gz YXPATARJQKOUCZ-RISCZKNCSA-N -1 1 377.470 2.368 20 0 GEADMM CSc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821983362 606139813 /nfs/dbraw/zinc/13/98/13/606139813.db2.gz HFIUVNSFPIFWPT-UHFFFAOYSA-N -1 1 375.435 2.446 20 0 GEADMM CSc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821983362 606139814 /nfs/dbraw/zinc/13/98/14/606139814.db2.gz HFIUVNSFPIFWPT-UHFFFAOYSA-N -1 1 375.435 2.446 20 0 GEADMM CC(C)C[C@H](C)Oc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccn1 ZINC000820057345 606157993 /nfs/dbraw/zinc/15/79/93/606157993.db2.gz YTWPQKUXYBMQDA-LBPRGKRZSA-N -1 1 399.459 2.130 20 0 GEADMM CC(C)C[C@H](C)Oc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccn1 ZINC000820057345 606157995 /nfs/dbraw/zinc/15/79/95/606157995.db2.gz YTWPQKUXYBMQDA-LBPRGKRZSA-N -1 1 399.459 2.130 20 0 GEADMM COc1ccccc1CC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821890755 606163493 /nfs/dbraw/zinc/16/34/93/606163493.db2.gz PNWGQDYLTIWEQW-UHFFFAOYSA-N -1 1 396.455 2.095 20 0 GEADMM COc1ccccc1CC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821890755 606163494 /nfs/dbraw/zinc/16/34/94/606163494.db2.gz PNWGQDYLTIWEQW-UHFFFAOYSA-N -1 1 396.455 2.095 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)n1 ZINC000822608214 606164413 /nfs/dbraw/zinc/16/44/13/606164413.db2.gz BCFNLWNLNPDGMH-UHFFFAOYSA-N -1 1 393.238 2.497 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)n1 ZINC000822608214 606164415 /nfs/dbraw/zinc/16/44/15/606164415.db2.gz BCFNLWNLNPDGMH-UHFFFAOYSA-N -1 1 393.238 2.497 20 0 GEADMM COc1cc(Cl)c(C)cc1NC(=O)CCNc1nccnc1-c1nnn[n-]1 ZINC000821716602 606166298 /nfs/dbraw/zinc/16/62/98/606166298.db2.gz BIUUKVREUDEPKS-UHFFFAOYSA-N -1 1 388.819 2.068 20 0 GEADMM COc1cc(Cl)c(C)cc1NC(=O)CCNc1nccnc1-c1nn[n-]n1 ZINC000821716602 606166300 /nfs/dbraw/zinc/16/63/00/606166300.db2.gz BIUUKVREUDEPKS-UHFFFAOYSA-N -1 1 388.819 2.068 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823290224 606196108 /nfs/dbraw/zinc/19/61/08/606196108.db2.gz VBNGKOZJZGKBLX-HNNXBMFYSA-N -1 1 392.419 2.063 20 0 GEADMM COCCCOc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821688161 606203387 /nfs/dbraw/zinc/20/33/87/606203387.db2.gz ARZAHGGDVPVOTD-UHFFFAOYSA-N -1 1 389.437 2.083 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933618 606292622 /nfs/dbraw/zinc/29/26/22/606292622.db2.gz XOMCDAZGEKWZBQ-NEPJUHHUSA-N -1 1 388.428 2.204 20 0 GEADMM COc1ccc(C(=O)CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1F ZINC000821770490 606293071 /nfs/dbraw/zinc/29/30/71/606293071.db2.gz VJTHEEZLOGFGHT-UHFFFAOYSA-N -1 1 385.355 2.322 20 0 GEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1-c1ccc(F)cc1 ZINC000822021203 606296846 /nfs/dbraw/zinc/29/68/46/606296846.db2.gz WZMPRHZCBFLIMQ-UHFFFAOYSA-N -1 1 379.355 2.458 20 0 GEADMM CC1(C)CCCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000445739913 649965178 /nfs/dbraw/zinc/96/51/78/649965178.db2.gz HSQMWEABNLVKOA-UHFFFAOYSA-N -1 1 378.491 2.398 20 0 GEADMM CCS[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821457427 606325750 /nfs/dbraw/zinc/32/57/50/606325750.db2.gz WOLHZSRXNZXMRJ-UONOGXRCSA-N -1 1 390.513 2.307 20 0 GEADMM CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821455817 606332626 /nfs/dbraw/zinc/33/26/26/606332626.db2.gz LXOJNOGVHPDSGQ-MNOVXSKESA-N -1 1 387.918 2.473 20 0 GEADMM CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821455817 606332628 /nfs/dbraw/zinc/33/26/28/606332628.db2.gz LXOJNOGVHPDSGQ-MNOVXSKESA-N -1 1 387.918 2.473 20 0 GEADMM O=S(=O)(Oc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1)c1c[n-]cn1 ZINC000823594155 606333254 /nfs/dbraw/zinc/33/32/54/606333254.db2.gz CHTJTYQLDNDCEC-UHFFFAOYSA-N -1 1 384.377 2.150 20 0 GEADMM O=C1C[C@H](Nc2cccc(-c3nnn[n-]3)n2)CN1c1cccc(C(F)(F)F)c1 ZINC000823520424 606427886 /nfs/dbraw/zinc/42/78/86/606427886.db2.gz LZXQZNAEIFSEBZ-NSHDSACASA-N -1 1 389.341 2.498 20 0 GEADMM O=C1C[C@H](Nc2cccc(-c3nn[n-]n3)n2)CN1c1cccc(C(F)(F)F)c1 ZINC000823520424 606427888 /nfs/dbraw/zinc/42/78/88/606427888.db2.gz LZXQZNAEIFSEBZ-NSHDSACASA-N -1 1 389.341 2.498 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000820770167 606432121 /nfs/dbraw/zinc/43/21/21/606432121.db2.gz ZDNGWWDGOUURPB-RKDXNWHRSA-N -1 1 375.376 2.162 20 0 GEADMM C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820709011 606456639 /nfs/dbraw/zinc/45/66/39/606456639.db2.gz BVNXZIWJTKNCPC-GFCCVEGCSA-N -1 1 393.407 2.003 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821066147 606459013 /nfs/dbraw/zinc/45/90/13/606459013.db2.gz QXMNYUCTUOPGKV-VXGBXAGGSA-N -1 1 377.880 2.436 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821066147 606459015 /nfs/dbraw/zinc/45/90/15/606459015.db2.gz QXMNYUCTUOPGKV-VXGBXAGGSA-N -1 1 377.880 2.436 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821572030 606479392 /nfs/dbraw/zinc/47/93/92/606479392.db2.gz OUABZECKISWPKP-LBPRGKRZSA-N -1 1 396.455 2.256 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821572030 606479393 /nfs/dbraw/zinc/47/93/93/606479393.db2.gz OUABZECKISWPKP-LBPRGKRZSA-N -1 1 396.455 2.256 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000822693423 606499035 /nfs/dbraw/zinc/49/90/35/606499035.db2.gz CYZWVTNDGMJMIC-AWEZNQCLSA-N -1 1 383.412 2.320 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000822693423 606499038 /nfs/dbraw/zinc/49/90/38/606499038.db2.gz CYZWVTNDGMJMIC-AWEZNQCLSA-N -1 1 383.412 2.320 20 0 GEADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821657126 606500053 /nfs/dbraw/zinc/50/00/53/606500053.db2.gz IMBKCCYCLGEVRT-XBXARRHUSA-N -1 1 386.389 2.342 20 0 GEADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821657126 606500055 /nfs/dbraw/zinc/50/00/55/606500055.db2.gz IMBKCCYCLGEVRT-XBXARRHUSA-N -1 1 386.389 2.342 20 0 GEADMM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821985098 606501768 /nfs/dbraw/zinc/50/17/68/606501768.db2.gz YYWIFYMKICWVIV-UHFFFAOYSA-N -1 1 388.478 2.361 20 0 GEADMM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821985098 606501769 /nfs/dbraw/zinc/50/17/69/606501769.db2.gz YYWIFYMKICWVIV-UHFFFAOYSA-N -1 1 388.478 2.361 20 0 GEADMM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823241668 606509568 /nfs/dbraw/zinc/50/95/68/606509568.db2.gz BLCSWYJFMAMISL-UHFFFAOYSA-N -1 1 377.813 2.283 20 0 GEADMM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823241668 606509570 /nfs/dbraw/zinc/50/95/70/606509570.db2.gz BLCSWYJFMAMISL-UHFFFAOYSA-N -1 1 377.813 2.283 20 0 GEADMM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822885436 606517121 /nfs/dbraw/zinc/51/71/21/606517121.db2.gz PHXYSGSXZHCWJP-UHFFFAOYSA-N -1 1 397.464 2.270 20 0 GEADMM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822885436 606517122 /nfs/dbraw/zinc/51/71/22/606517122.db2.gz PHXYSGSXZHCWJP-UHFFFAOYSA-N -1 1 397.464 2.270 20 0 GEADMM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1=O ZINC000820882305 606532087 /nfs/dbraw/zinc/53/20/87/606532087.db2.gz OTXCJWAXCDYEJB-RYUDHWBXSA-N -1 1 394.439 2.095 20 0 GEADMM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1=O ZINC000820882305 606532090 /nfs/dbraw/zinc/53/20/90/606532090.db2.gz OTXCJWAXCDYEJB-RYUDHWBXSA-N -1 1 394.439 2.095 20 0 GEADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000821658571 606533471 /nfs/dbraw/zinc/53/34/71/606533471.db2.gz AWMBBUYEBPJSHL-LLVKDONJSA-N -1 1 375.385 2.102 20 0 GEADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000821658571 606533473 /nfs/dbraw/zinc/53/34/73/606533473.db2.gz AWMBBUYEBPJSHL-LLVKDONJSA-N -1 1 375.385 2.102 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821065788 606534721 /nfs/dbraw/zinc/53/47/21/606534721.db2.gz NDSVUVPJMXATHF-RYUDHWBXSA-N -1 1 376.486 2.085 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821065788 606534723 /nfs/dbraw/zinc/53/47/23/606534723.db2.gz NDSVUVPJMXATHF-RYUDHWBXSA-N -1 1 376.486 2.085 20 0 GEADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821016639 606540778 /nfs/dbraw/zinc/54/07/78/606540778.db2.gz YDZCFSLOKDVKFH-RYUDHWBXSA-N -1 1 376.486 2.085 20 0 GEADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821016639 606540780 /nfs/dbraw/zinc/54/07/80/606540780.db2.gz YDZCFSLOKDVKFH-RYUDHWBXSA-N -1 1 376.486 2.085 20 0 GEADMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821139431 606568288 /nfs/dbraw/zinc/56/82/88/606568288.db2.gz YSRKDVLYOSZDIU-UHFFFAOYSA-N -1 1 392.466 2.332 20 0 GEADMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821139431 606568290 /nfs/dbraw/zinc/56/82/90/606568290.db2.gz YSRKDVLYOSZDIU-UHFFFAOYSA-N -1 1 392.466 2.332 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939408 606573494 /nfs/dbraw/zinc/57/34/94/606573494.db2.gz AYULHIVTIWNTSS-GHMZBOCLSA-N -1 1 392.485 2.351 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939408 606573496 /nfs/dbraw/zinc/57/34/96/606573496.db2.gz AYULHIVTIWNTSS-GHMZBOCLSA-N -1 1 392.485 2.351 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821970152 606585065 /nfs/dbraw/zinc/58/50/65/606585065.db2.gz JEMOHEFUNOFJBK-NWDGAFQWSA-N -1 1 392.510 2.189 20 0 GEADMM CCN(CC(=O)Nc1cccc(OC)c1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821165142 606592281 /nfs/dbraw/zinc/59/22/81/606592281.db2.gz PSBLCKYKFBTMOH-UHFFFAOYSA-N -1 1 387.831 2.389 20 0 GEADMM CCN(CC(=O)Nc1cccc(OC)c1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821165142 606592283 /nfs/dbraw/zinc/59/22/83/606592283.db2.gz PSBLCKYKFBTMOH-UHFFFAOYSA-N -1 1 387.831 2.389 20 0 GEADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822496851 606595140 /nfs/dbraw/zinc/59/51/40/606595140.db2.gz VCBIFCGXAYJWIR-UHFFFAOYSA-N -1 1 382.409 2.410 20 0 GEADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822496851 606595141 /nfs/dbraw/zinc/59/51/41/606595141.db2.gz VCBIFCGXAYJWIR-UHFFFAOYSA-N -1 1 382.409 2.410 20 0 GEADMM Cc1oc(NC(=O)[C@@H](C)N2CCO[C@@H](c3ccco3)C2)c(-c2nn[n-]n2)c1C ZINC000822542020 606632016 /nfs/dbraw/zinc/63/20/16/606632016.db2.gz SOGCFUDUPHFREE-BXUZGUMPSA-N -1 1 386.412 2.070 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822021042 606647927 /nfs/dbraw/zinc/64/79/27/606647927.db2.gz SWXWBQRHFURQKU-UHFFFAOYSA-N -1 1 380.408 2.410 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000822021042 606647928 /nfs/dbraw/zinc/64/79/28/606647928.db2.gz SWXWBQRHFURQKU-UHFFFAOYSA-N -1 1 380.408 2.410 20 0 GEADMM CC(C)(C)OC(=O)NC1(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC000819933420 606648383 /nfs/dbraw/zinc/64/83/83/606648383.db2.gz RCRVANYOFZQZCC-UHFFFAOYSA-N -1 1 388.428 2.142 20 0 GEADMM CC(C)(C)OC(=O)NC1(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC000819933420 606648384 /nfs/dbraw/zinc/64/83/84/606648384.db2.gz RCRVANYOFZQZCC-UHFFFAOYSA-N -1 1 388.428 2.142 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000823436069 606649966 /nfs/dbraw/zinc/64/99/66/606649966.db2.gz FYJHUJUFOUYANL-UHFFFAOYSA-N -1 1 397.395 2.232 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000823436069 606649967 /nfs/dbraw/zinc/64/99/67/606649967.db2.gz FYJHUJUFOUYANL-UHFFFAOYSA-N -1 1 397.395 2.232 20 0 GEADMM O=C(CCc1nnc(-c2ccsc2)o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822987082 606650674 /nfs/dbraw/zinc/65/06/74/606650674.db2.gz PYSIGEVTGIOJKO-UHFFFAOYSA-N -1 1 383.393 2.049 20 0 GEADMM O=C(CCc1nnc(-c2ccsc2)o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822987082 606650675 /nfs/dbraw/zinc/65/06/75/606650675.db2.gz PYSIGEVTGIOJKO-UHFFFAOYSA-N -1 1 383.393 2.049 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1F ZINC000822020681 606652091 /nfs/dbraw/zinc/65/20/91/606652091.db2.gz GRZCVYBIEPDBIV-UHFFFAOYSA-N -1 1 397.345 2.391 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1F ZINC000822020681 606652092 /nfs/dbraw/zinc/65/20/92/606652092.db2.gz GRZCVYBIEPDBIV-UHFFFAOYSA-N -1 1 397.345 2.391 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000823435912 606652971 /nfs/dbraw/zinc/65/29/71/606652971.db2.gz DHLMGIUTEAAILP-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000823435912 606652972 /nfs/dbraw/zinc/65/29/72/606652972.db2.gz DHLMGIUTEAAILP-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1c1c(F)cccc1F ZINC000823514142 606734385 /nfs/dbraw/zinc/73/43/85/606734385.db2.gz WZDQLRHBXZBOGN-QMMMGPOBSA-N -1 1 397.798 2.472 20 0 GEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1c1c(F)cccc1F ZINC000823514142 606734387 /nfs/dbraw/zinc/73/43/87/606734387.db2.gz WZDQLRHBXZBOGN-QMMMGPOBSA-N -1 1 397.798 2.472 20 0 GEADMM CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000820988883 606744955 /nfs/dbraw/zinc/74/49/55/606744955.db2.gz IPUMZSTXQWKVKH-SECBINFHSA-N -1 1 375.376 2.306 20 0 GEADMM Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)ccc1F ZINC000822152050 606747703 /nfs/dbraw/zinc/74/77/03/606747703.db2.gz FBMDQFJHFWBXIC-SNVBAGLBSA-N -1 1 394.370 2.250 20 0 GEADMM Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)ccc1F ZINC000822152050 606747706 /nfs/dbraw/zinc/74/77/06/606747706.db2.gz FBMDQFJHFWBXIC-SNVBAGLBSA-N -1 1 394.370 2.250 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCc1cccc(Br)c1 ZINC000822904317 606764766 /nfs/dbraw/zinc/76/47/66/606764766.db2.gz VUAQFEAAWTTWOC-UHFFFAOYSA-N -1 1 376.218 2.071 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C[C@@H](C)O2 ZINC000822280210 606765324 /nfs/dbraw/zinc/76/53/24/606765324.db2.gz IVLXAURXBGEAGE-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000820788358 606767090 /nfs/dbraw/zinc/76/70/90/606767090.db2.gz FBOAAARQKXJNAR-NSHDSACASA-N -1 1 399.846 2.053 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000820788358 606767092 /nfs/dbraw/zinc/76/70/92/606767092.db2.gz FBOAAARQKXJNAR-NSHDSACASA-N -1 1 399.846 2.053 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000820789070 606768235 /nfs/dbraw/zinc/76/82/35/606768235.db2.gz VEYMCUFHRBCDPB-NSHDSACASA-N -1 1 399.846 2.053 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000820789070 606768236 /nfs/dbraw/zinc/76/82/36/606768236.db2.gz VEYMCUFHRBCDPB-NSHDSACASA-N -1 1 399.846 2.053 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H](C)COc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549408 606768548 /nfs/dbraw/zinc/76/85/48/606768548.db2.gz ZLNXROJSFWULOE-LLVKDONJSA-N -1 1 399.407 2.273 20 0 GEADMM CCC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCCC1 ZINC000820945440 606785193 /nfs/dbraw/zinc/78/51/93/606785193.db2.gz TUBMEOPZYQTGSZ-UHFFFAOYSA-N -1 1 385.472 2.351 20 0 GEADMM Cc1cccc(C)c1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822294379 606792579 /nfs/dbraw/zinc/79/25/79/606792579.db2.gz YSSOFVMYHIWQCP-UHFFFAOYSA-N -1 1 393.451 2.311 20 0 GEADMM COc1ccccc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000821897234 606809212 /nfs/dbraw/zinc/80/92/12/606809212.db2.gz GVXHCFKZJDYNNE-LLVKDONJSA-N -1 1 385.815 2.141 20 0 GEADMM COc1ccccc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000821897234 606809213 /nfs/dbraw/zinc/80/92/13/606809213.db2.gz GVXHCFKZJDYNNE-LLVKDONJSA-N -1 1 385.815 2.141 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCOC(C)(C)C ZINC000822010326 606817224 /nfs/dbraw/zinc/81/72/24/606817224.db2.gz YAZKSZLXUCCFIY-UHFFFAOYSA-N -1 1 377.445 2.265 20 0 GEADMM CC[C@H]1CC[C@H](C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)O1 ZINC000820972575 606827959 /nfs/dbraw/zinc/82/79/59/606827959.db2.gz PMCFZGAXSBKOSG-GOEBONIOSA-N -1 1 382.424 2.362 20 0 GEADMM CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821447359 606845265 /nfs/dbraw/zinc/84/52/65/606845265.db2.gz JJBRQCDWDYGWKR-RYUDHWBXSA-N -1 1 385.490 2.301 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)ccc1Cl ZINC000363963361 606857976 /nfs/dbraw/zinc/85/79/76/606857976.db2.gz SPTTWKWHXPIPPN-UHFFFAOYSA-N -1 1 393.812 2.108 20 0 GEADMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000822228987 606886602 /nfs/dbraw/zinc/88/66/02/606886602.db2.gz KCDQCRSGJWFGGO-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822299749 607006015 /nfs/dbraw/zinc/00/60/15/607006015.db2.gz UDZAQVBKKDUJRK-HNNXBMFYSA-N -1 1 388.428 2.235 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccccc1I ZINC000823383262 607024741 /nfs/dbraw/zinc/02/47/41/607024741.db2.gz ODPYZBQSNKSLJT-UHFFFAOYSA-N -1 1 398.189 2.180 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccccc1I ZINC000823383262 607024743 /nfs/dbraw/zinc/02/47/43/607024743.db2.gz ODPYZBQSNKSLJT-UHFFFAOYSA-N -1 1 398.189 2.180 20 0 GEADMM O=C(C[C@H]1COC(=O)C1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822945406 607024995 /nfs/dbraw/zinc/02/49/95/607024995.db2.gz DGEFTWBAYOEBJK-GFCCVEGCSA-N -1 1 383.433 2.165 20 0 GEADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c2cccc(F)c2n1 ZINC000822206084 607025027 /nfs/dbraw/zinc/02/50/27/607025027.db2.gz UFLQWQULHTYKKU-UHFFFAOYSA-N -1 1 381.419 2.237 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000822535079 607054236 /nfs/dbraw/zinc/05/42/36/607054236.db2.gz GEJHYQJNXJTPSB-AWEZNQCLSA-N -1 1 384.440 2.446 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](OCC(C)C)C1 ZINC000822535079 607054237 /nfs/dbraw/zinc/05/42/37/607054237.db2.gz GEJHYQJNXJTPSB-AWEZNQCLSA-N -1 1 384.440 2.446 20 0 GEADMM CCCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)n[nH]1 ZINC000821077939 607152070 /nfs/dbraw/zinc/15/20/70/607152070.db2.gz XTSNVVQETGSSLR-UHFFFAOYSA-N -1 1 381.849 2.387 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1-c1nn[n-]n1 ZINC000821976417 607162558 /nfs/dbraw/zinc/16/25/58/607162558.db2.gz ARGQQHUIFHFPSL-GLQYFDAESA-N -1 1 394.460 2.005 20 0 GEADMM CCCCc1oc2ccccc2c1CN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821082867 607205667 /nfs/dbraw/zinc/20/56/67/607205667.db2.gz QAHPODQCZRCXSW-UHFFFAOYSA-N -1 1 394.439 2.206 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000823135961 607209742 /nfs/dbraw/zinc/20/97/42/607209742.db2.gz CRLUMBQPFWLRMX-UHFFFAOYSA-N -1 1 380.343 2.028 20 0 GEADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000821083227 607210273 /nfs/dbraw/zinc/21/02/73/607210273.db2.gz VYQAVQWRHZHZJV-LBPRGKRZSA-N -1 1 380.412 2.204 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000823136016 607213203 /nfs/dbraw/zinc/21/32/03/607213203.db2.gz GFRGOXLBJMXMLF-UHFFFAOYSA-N -1 1 397.402 2.312 20 0 GEADMM CC(C)Sc1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820184264 607214018 /nfs/dbraw/zinc/21/40/18/607214018.db2.gz YREOBBSXMVYUKV-UHFFFAOYSA-N -1 1 378.849 2.251 20 0 GEADMM O=C(OCc1ccc(OC2CCOCC2)nc1)c1sccc1-c1nn[n-]n1 ZINC000826465856 607779770 /nfs/dbraw/zinc/77/97/70/607779770.db2.gz GKWXYWPENNHTLG-UHFFFAOYSA-N -1 1 387.421 2.238 20 0 GEADMM CCC(CC)(CO)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825090057 607808691 /nfs/dbraw/zinc/80/86/91/607808691.db2.gz QYUPZNFPFKDTQB-UHFFFAOYSA-N -1 1 390.513 2.390 20 0 GEADMM Cc1cnc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(Br)c1 ZINC000826319304 607816304 /nfs/dbraw/zinc/81/63/04/607816304.db2.gz XHVPOXOETBHFKP-UHFFFAOYSA-N -1 1 395.242 2.133 20 0 GEADMM OC[C@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826507512 607820961 /nfs/dbraw/zinc/82/09/61/607820961.db2.gz QBBMAIFBPKDAHZ-IFXJQAMLSA-N -1 1 376.420 2.311 20 0 GEADMM OC[C@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826507512 607820962 /nfs/dbraw/zinc/82/09/62/607820962.db2.gz QBBMAIFBPKDAHZ-IFXJQAMLSA-N -1 1 376.420 2.311 20 0 GEADMM COc1ccc(Cl)cc1CNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826208375 607866290 /nfs/dbraw/zinc/86/62/90/607866290.db2.gz HTQYYGMTINGULZ-UHFFFAOYSA-N -1 1 391.790 2.363 20 0 GEADMM COc1ccc(Cl)cc1CNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826208375 607866291 /nfs/dbraw/zinc/86/62/91/607866291.db2.gz HTQYYGMTINGULZ-UHFFFAOYSA-N -1 1 391.790 2.363 20 0 GEADMM C[C@H]1Cc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)ccc2O1 ZINC000825011997 607867529 /nfs/dbraw/zinc/86/75/29/607867529.db2.gz CBQQQBHWLUNNIV-VIFPVBQESA-N -1 1 376.369 2.097 20 0 GEADMM C[C@H]1Cc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)ccc2O1 ZINC000825011997 607867530 /nfs/dbraw/zinc/86/75/30/607867530.db2.gz CBQQQBHWLUNNIV-VIFPVBQESA-N -1 1 376.369 2.097 20 0 GEADMM COc1ccc(Cl)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826208275 607867577 /nfs/dbraw/zinc/86/75/77/607867577.db2.gz CAFKENSDKCCCGO-UHFFFAOYSA-N -1 1 384.776 2.436 20 0 GEADMM COc1ccc(Cl)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826208275 607867578 /nfs/dbraw/zinc/86/75/78/607867578.db2.gz CAFKENSDKCCCGO-UHFFFAOYSA-N -1 1 384.776 2.436 20 0 GEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826332794 607867782 /nfs/dbraw/zinc/86/77/82/607867782.db2.gz HWTMSTLTNVBXPP-UHFFFAOYSA-N -1 1 380.405 2.168 20 0 GEADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826332794 607867783 /nfs/dbraw/zinc/86/77/83/607867783.db2.gz HWTMSTLTNVBXPP-UHFFFAOYSA-N -1 1 380.405 2.168 20 0 GEADMM CC(C)(C)c1cc(NC(=O)c2cccc(-n3cnnn3)c2)c(-c2nnn[n-]2)s1 ZINC000824129964 607930038 /nfs/dbraw/zinc/93/00/38/607930038.db2.gz FSXRWMMOZZBYMA-UHFFFAOYSA-N -1 1 395.452 2.454 20 0 GEADMM CC(C)(C)c1cc(NC(=O)c2cccc(-n3cnnn3)c2)c(-c2nn[n-]n2)s1 ZINC000824129964 607930039 /nfs/dbraw/zinc/93/00/39/607930039.db2.gz FSXRWMMOZZBYMA-UHFFFAOYSA-N -1 1 395.452 2.454 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[C@@H](CO)CC2)c1-c1nn[n-]n1 ZINC000826231530 607941009 /nfs/dbraw/zinc/94/10/09/607941009.db2.gz PBODTMUTKGSJJU-KLPPZKSPSA-N -1 1 388.497 2.142 20 0 GEADMM C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824391456 607971677 /nfs/dbraw/zinc/97/16/77/607971677.db2.gz JDBVSDZSRSQCKK-SECBINFHSA-N -1 1 395.441 2.007 20 0 GEADMM C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824391456 607971678 /nfs/dbraw/zinc/97/16/78/607971678.db2.gz JDBVSDZSRSQCKK-SECBINFHSA-N -1 1 395.441 2.007 20 0 GEADMM FC(F)Oc1cccc([C@@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826370218 607992208 /nfs/dbraw/zinc/99/22/08/607992208.db2.gz IUZNFIRIYBZLIE-INIZCTEOSA-N -1 1 388.378 2.437 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CC[C@H](CO)C1 ZINC000826473144 607996446 /nfs/dbraw/zinc/99/64/46/607996446.db2.gz MIGOHXRPZQFRMS-LBPRGKRZSA-N -1 1 383.383 2.253 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CC[C@H](CO)C1 ZINC000826473144 607996447 /nfs/dbraw/zinc/99/64/47/607996447.db2.gz MIGOHXRPZQFRMS-LBPRGKRZSA-N -1 1 383.383 2.253 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCC[C@@H]1CO ZINC000826473141 607996502 /nfs/dbraw/zinc/99/65/02/607996502.db2.gz MHCIRJNEPDZNRR-CYBMUJFWSA-N -1 1 383.383 2.395 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCC[C@@H]1CO ZINC000826473141 607996503 /nfs/dbraw/zinc/99/65/03/607996503.db2.gz MHCIRJNEPDZNRR-CYBMUJFWSA-N -1 1 383.383 2.395 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825060953 607997899 /nfs/dbraw/zinc/99/78/99/607997899.db2.gz VHXBQQWHQPRXQU-SJCJKPOMSA-N -1 1 394.435 2.356 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000826450920 607998254 /nfs/dbraw/zinc/99/82/54/607998254.db2.gz IUYPUCICCIQWLS-INIZCTEOSA-N -1 1 392.419 2.206 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000826480237 607999064 /nfs/dbraw/zinc/99/90/64/607999064.db2.gz VLKOTNBOKBXDSP-SFHVURJKSA-N -1 1 394.416 2.140 20 0 GEADMM O=c1nc(Cn2ccnc2-c2nn[n-]n2)[nH]c2scc(-c3ccccc3)c21 ZINC000826500872 608014032 /nfs/dbraw/zinc/01/40/32/608014032.db2.gz PLCMKUOUUIGHIX-UHFFFAOYSA-N -1 1 376.405 2.489 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cnc([C@H]3CCCO3)s2)n1 ZINC000824148372 608028743 /nfs/dbraw/zinc/02/87/43/608028743.db2.gz SASVELFCYRUQCB-SNVBAGLBSA-N -1 1 388.457 2.379 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cnc([C@H]3CCCO3)s2)n1 ZINC000824148372 608028744 /nfs/dbraw/zinc/02/87/44/608028744.db2.gz SASVELFCYRUQCB-SNVBAGLBSA-N -1 1 388.457 2.379 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCCN1Cc1ccccc1 ZINC000826478340 608053647 /nfs/dbraw/zinc/05/36/47/608053647.db2.gz ZRCJNLKEVBNTJQ-GOSISDBHSA-N -1 1 399.458 2.440 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCCN1Cc1ccccc1 ZINC000826478340 608053648 /nfs/dbraw/zinc/05/36/48/608053648.db2.gz ZRCJNLKEVBNTJQ-GOSISDBHSA-N -1 1 399.458 2.440 20 0 GEADMM Cn1cc(CSc2nc3c(c(-c4ccco4)c2-c2nn[n-]n2)CCC3)nn1 ZINC000826362344 608077517 /nfs/dbraw/zinc/07/75/17/608077517.db2.gz OIQARAOVDWGCPO-UHFFFAOYSA-N -1 1 380.437 2.431 20 0 GEADMM O=C(c1c([O-])cccc1Cl)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826469150 608081274 /nfs/dbraw/zinc/08/12/74/608081274.db2.gz WKAXGFGPDTYOJI-OAHLLOKOSA-N -1 1 385.811 2.439 20 0 GEADMM CC(C)(C)OC(=O)N1CC(CNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000824103498 608098311 /nfs/dbraw/zinc/09/83/11/608098311.db2.gz CMWYIOBGBUMDIU-UHFFFAOYSA-N -1 1 382.428 2.089 20 0 GEADMM CC(C)(C)OC(=O)N1CC(CNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000824103498 608098312 /nfs/dbraw/zinc/09/83/12/608098312.db2.gz CMWYIOBGBUMDIU-UHFFFAOYSA-N -1 1 382.428 2.089 20 0 GEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826451585 608108851 /nfs/dbraw/zinc/10/88/51/608108851.db2.gz NBSNYRIYOJKVRB-UHFFFAOYSA-N -1 1 383.318 2.493 20 0 GEADMM CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824080585 608111475 /nfs/dbraw/zinc/11/14/75/608111475.db2.gz YDWUQJWORPFEPE-ZWNOBZJWSA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824080585 608111476 /nfs/dbraw/zinc/11/14/76/608111476.db2.gz YDWUQJWORPFEPE-ZWNOBZJWSA-N -1 1 399.904 2.392 20 0 GEADMM Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000826264497 608125977 /nfs/dbraw/zinc/12/59/77/608125977.db2.gz QJNGZVXNGXUJQV-CQSZACIVSA-N -1 1 384.465 2.057 20 0 GEADMM Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000826264497 608125978 /nfs/dbraw/zinc/12/59/78/608125978.db2.gz QJNGZVXNGXUJQV-CQSZACIVSA-N -1 1 384.465 2.057 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC[C@@H]1CCCCO1 ZINC000826233071 608143330 /nfs/dbraw/zinc/14/33/30/608143330.db2.gz SKJNVYKLJLSKDB-ZDUSSCGKSA-N -1 1 375.429 2.019 20 0 GEADMM C[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824925485 608145515 /nfs/dbraw/zinc/14/55/15/608145515.db2.gz DDPFCGJCIUAPPT-OLZOCXBDSA-N -1 1 397.439 2.200 20 0 GEADMM Cc1ccncc1[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826315506 608157770 /nfs/dbraw/zinc/15/77/70/608157770.db2.gz LNUWKCKJRYKMNC-SNVBAGLBSA-N -1 1 378.845 2.263 20 0 GEADMM Cc1ccncc1[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826315506 608157772 /nfs/dbraw/zinc/15/77/72/608157772.db2.gz LNUWKCKJRYKMNC-SNVBAGLBSA-N -1 1 378.845 2.263 20 0 GEADMM Cc1ccncc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826315223 608157794 /nfs/dbraw/zinc/15/77/94/608157794.db2.gz CJYKWYJAMBRFSZ-SNVBAGLBSA-N -1 1 378.845 2.263 20 0 GEADMM CC(C)c1nsc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000824371752 608175172 /nfs/dbraw/zinc/17/51/72/608175172.db2.gz QUULJZFYAVDBKA-UHFFFAOYSA-N -1 1 387.473 2.034 20 0 GEADMM Clc1nsc(NCCCc2nnc3n2CCCCC3)c1-c1nnn[n-]1 ZINC000826354153 608182721 /nfs/dbraw/zinc/18/27/21/608182721.db2.gz RBQGSPIMQZJHEE-UHFFFAOYSA-N -1 1 379.881 2.339 20 0 GEADMM Clc1nsc(NCCCc2nnc3n2CCCCC3)c1-c1nn[n-]n1 ZINC000826354153 608182722 /nfs/dbraw/zinc/18/27/22/608182722.db2.gz RBQGSPIMQZJHEE-UHFFFAOYSA-N -1 1 379.881 2.339 20 0 GEADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000826010279 608183404 /nfs/dbraw/zinc/18/34/04/608183404.db2.gz GVUSCQNMIKPYHQ-SNVBAGLBSA-N -1 1 375.845 2.218 20 0 GEADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000826010279 608183405 /nfs/dbraw/zinc/18/34/05/608183405.db2.gz GVUSCQNMIKPYHQ-SNVBAGLBSA-N -1 1 375.845 2.218 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2c[nH]nc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826229527 608195220 /nfs/dbraw/zinc/19/52/20/608195220.db2.gz IBEBVQHFXULNJR-UHFFFAOYSA-N -1 1 394.420 2.332 20 0 GEADMM CN1CCO[C@@H]([C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045100 608234789 /nfs/dbraw/zinc/23/47/89/608234789.db2.gz PFRJMNLIOKYXEC-NVXWUHKLSA-N -1 1 385.859 2.399 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824108758 608244251 /nfs/dbraw/zinc/24/42/51/608244251.db2.gz JVRYPIPDCZONNP-JTQLQIEISA-N -1 1 398.370 2.059 20 0 GEADMM Cc1ccsc1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826316437 608303311 /nfs/dbraw/zinc/30/33/11/608303311.db2.gz NZLSOSBWTJTAAL-UHFFFAOYSA-N -1 1 386.481 2.246 20 0 GEADMM CC[C@H](CSC)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825128603 608306785 /nfs/dbraw/zinc/30/67/85/608306785.db2.gz WGNVNFPOPPKMLI-SECBINFHSA-N -1 1 375.907 2.282 20 0 GEADMM CC[C@H](CSC)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825128603 608306786 /nfs/dbraw/zinc/30/67/86/608306786.db2.gz WGNVNFPOPPKMLI-SECBINFHSA-N -1 1 375.907 2.282 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN2CCO[C@@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826332530 608315906 /nfs/dbraw/zinc/31/59/06/608315906.db2.gz WZKOGWAOAJKJTO-CQSZACIVSA-N -1 1 393.373 2.124 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cnoc1C1CC1 ZINC000826233038 608316654 /nfs/dbraw/zinc/31/66/54/608316654.db2.gz RKBSBXLUTCKYSF-UHFFFAOYSA-N -1 1 384.396 2.126 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc(Oc2ccccc2)cn1 ZINC000826450971 608321439 /nfs/dbraw/zinc/32/14/39/608321439.db2.gz KXMHMAQWMXOVOZ-UHFFFAOYSA-N -1 1 375.348 2.407 20 0 GEADMM O=C(OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccc([O-])cc1F ZINC000826467710 608323440 /nfs/dbraw/zinc/32/34/40/608323440.db2.gz IYGNRQGWRHLHOX-UHFFFAOYSA-N -1 1 382.311 2.118 20 0 GEADMM CCc1cnccc1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825734672 608330939 /nfs/dbraw/zinc/33/09/39/608330939.db2.gz MADBHOWXMUUXCT-CYBMUJFWSA-N -1 1 395.467 2.352 20 0 GEADMM CCCCCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825271739 608339033 /nfs/dbraw/zinc/33/90/33/608339033.db2.gz NJYNSILMPANKLD-LBPRGKRZSA-N -1 1 390.492 2.232 20 0 GEADMM CCCCCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825271739 608339035 /nfs/dbraw/zinc/33/90/35/608339035.db2.gz NJYNSILMPANKLD-LBPRGKRZSA-N -1 1 390.492 2.232 20 0 GEADMM CCC(CC)CN(CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825108043 608342240 /nfs/dbraw/zinc/34/22/40/608342240.db2.gz UMGDKGXNMOZVKY-UHFFFAOYSA-N -1 1 390.492 2.041 20 0 GEADMM CCC(CC)CN(CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825108043 608342241 /nfs/dbraw/zinc/34/22/41/608342241.db2.gz UMGDKGXNMOZVKY-UHFFFAOYSA-N -1 1 390.492 2.041 20 0 GEADMM COc1ccc(CNc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)cc1 ZINC000826204165 608393364 /nfs/dbraw/zinc/39/33/64/608393364.db2.gz AIOVQGUCGGJZCM-UHFFFAOYSA-N -1 1 399.465 2.280 20 0 GEADMM COc1ccc(CNc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)cc1 ZINC000826204165 608393367 /nfs/dbraw/zinc/39/33/67/608393367.db2.gz AIOVQGUCGGJZCM-UHFFFAOYSA-N -1 1 399.465 2.280 20 0 GEADMM CCn1cnnc1[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000825804704 608407607 /nfs/dbraw/zinc/40/76/07/608407607.db2.gz DUSRZUSGTUNJAS-ZDUSSCGKSA-N -1 1 375.440 2.410 20 0 GEADMM CCn1cnnc1[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000825804704 608407608 /nfs/dbraw/zinc/40/76/08/608407608.db2.gz DUSRZUSGTUNJAS-ZDUSSCGKSA-N -1 1 375.440 2.410 20 0 GEADMM Brc1ccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000823827364 608411128 /nfs/dbraw/zinc/41/11/28/608411128.db2.gz ZQESBQNTHICYCI-LLVKDONJSA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000823827364 608411129 /nfs/dbraw/zinc/41/11/29/608411129.db2.gz ZQESBQNTHICYCI-LLVKDONJSA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccccc1N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823832270 608415825 /nfs/dbraw/zinc/41/58/25/608415825.db2.gz KGKXOMAMKYSUDA-JTQLQIEISA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccccc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823832270 608415826 /nfs/dbraw/zinc/41/58/26/608415826.db2.gz KGKXOMAMKYSUDA-JTQLQIEISA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccccc1N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823832271 608416186 /nfs/dbraw/zinc/41/61/86/608416186.db2.gz KGKXOMAMKYSUDA-SNVBAGLBSA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccccc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823832271 608416189 /nfs/dbraw/zinc/41/61/89/608416189.db2.gz KGKXOMAMKYSUDA-SNVBAGLBSA-N -1 1 387.245 2.110 20 0 GEADMM COC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1cccc2ccccc21 ZINC000826104038 608418093 /nfs/dbraw/zinc/41/80/93/608418093.db2.gz OFWREFPGSFOSHH-HNNXBMFYSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1cccc2ccccc21 ZINC000826104038 608418094 /nfs/dbraw/zinc/41/80/94/608418094.db2.gz OFWREFPGSFOSHH-HNNXBMFYSA-N -1 1 389.419 2.254 20 0 GEADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825148843 608437001 /nfs/dbraw/zinc/43/70/01/608437001.db2.gz URLXVSMGSRUWMO-PBHICJAKSA-N -1 1 376.428 2.037 20 0 GEADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825148843 608437002 /nfs/dbraw/zinc/43/70/02/608437002.db2.gz URLXVSMGSRUWMO-PBHICJAKSA-N -1 1 376.428 2.037 20 0 GEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826475795 608491932 /nfs/dbraw/zinc/49/19/32/608491932.db2.gz QURCJLADIBFXIO-UHFFFAOYSA-N -1 1 399.414 2.033 20 0 GEADMM Cc1cc(Br)cc2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)oc21 ZINC000826256360 608532821 /nfs/dbraw/zinc/53/28/21/608532821.db2.gz FLRZVTGEHYITAK-UHFFFAOYSA-N -1 1 388.185 2.151 20 0 GEADMM CC[C@H](C)Oc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825076852 608559186 /nfs/dbraw/zinc/55/91/86/608559186.db2.gz XYUMDSPFHSFSOJ-LBPRGKRZSA-N -1 1 398.471 2.054 20 0 GEADMM CC[C@H](C)Oc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825076852 608559188 /nfs/dbraw/zinc/55/91/88/608559188.db2.gz XYUMDSPFHSFSOJ-LBPRGKRZSA-N -1 1 398.471 2.054 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000824157496 608561855 /nfs/dbraw/zinc/56/18/55/608561855.db2.gz HLTAAZUWDHVYFY-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000824157496 608561856 /nfs/dbraw/zinc/56/18/56/608561856.db2.gz HLTAAZUWDHVYFY-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM COc1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)ccc1C ZINC000826177210 608608703 /nfs/dbraw/zinc/60/87/03/608608703.db2.gz XBPNHYUCQYLLCJ-UHFFFAOYSA-N -1 1 398.492 2.203 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc(Cl)c1F ZINC000825001233 608838835 /nfs/dbraw/zinc/83/88/35/608838835.db2.gz XTOOBSCVTMOBSB-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc(Cl)c1F ZINC000825001233 608838838 /nfs/dbraw/zinc/83/88/38/608838838.db2.gz XTOOBSCVTMOBSB-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824506098 608842686 /nfs/dbraw/zinc/84/26/86/608842686.db2.gz LEYAOURGEKCZEO-YPMHNXCESA-N -1 1 394.501 2.042 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2ccsc21 ZINC000825929210 609161368 /nfs/dbraw/zinc/16/13/68/609161368.db2.gz CTMGXSLYAFVQJD-UHFFFAOYSA-N -1 1 397.468 2.483 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2ccsc21 ZINC000825929210 609161370 /nfs/dbraw/zinc/16/13/70/609161370.db2.gz CTMGXSLYAFVQJD-UHFFFAOYSA-N -1 1 397.468 2.483 20 0 GEADMM CCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000825712668 609162486 /nfs/dbraw/zinc/16/24/86/609162486.db2.gz UOJAGCPZFANBAX-UHFFFAOYSA-N -1 1 383.460 2.139 20 0 GEADMM CCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000825712668 609162488 /nfs/dbraw/zinc/16/24/88/609162488.db2.gz UOJAGCPZFANBAX-UHFFFAOYSA-N -1 1 383.460 2.139 20 0 GEADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260572 609163552 /nfs/dbraw/zinc/16/35/52/609163552.db2.gz VEJJHGOZHHKARN-UHFFFAOYSA-N -1 1 379.355 2.458 20 0 GEADMM CCCCCN(CCCOC)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825271896 609265193 /nfs/dbraw/zinc/26/51/93/609265193.db2.gz PRNUOMGYDJLPDZ-UHFFFAOYSA-N -1 1 394.501 2.358 20 0 GEADMM Fc1cccc(-n2ccc(NCc3cn4ccccc4n3)n2)c1-c1nn[n-]n1 ZINC000826376745 609279292 /nfs/dbraw/zinc/27/92/92/609279292.db2.gz PYRQYIBTYDRARO-UHFFFAOYSA-N -1 1 375.371 2.451 20 0 GEADMM COc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826214849 609288678 /nfs/dbraw/zinc/28/86/78/609288678.db2.gz YWPBDYZHGCVHBZ-UHFFFAOYSA-N -1 1 379.355 2.452 20 0 GEADMM C[C@@H]1C[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1=O ZINC000824866796 609290445 /nfs/dbraw/zinc/29/04/45/609290445.db2.gz NQCBKCXEGHNIOW-MNOVXSKESA-N -1 1 383.387 2.135 20 0 GEADMM O=C(COc1ccc(F)cc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826418294 609291428 /nfs/dbraw/zinc/29/14/28/609291428.db2.gz ZMQTXPVUDZNSRW-UHFFFAOYSA-N -1 1 397.345 2.348 20 0 GEADMM COCCC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000826155387 609292326 /nfs/dbraw/zinc/29/23/26/609292326.db2.gz OJNKHEQTXOSDBR-UHFFFAOYSA-N -1 1 385.403 2.337 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000826340665 609292885 /nfs/dbraw/zinc/29/28/85/609292885.db2.gz GXCYWHUFABTTLX-LLVKDONJSA-N -1 1 392.366 2.403 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000826340665 609292886 /nfs/dbraw/zinc/29/28/86/609292886.db2.gz GXCYWHUFABTTLX-LLVKDONJSA-N -1 1 392.366 2.403 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1n[nH]c2c1CCCC2 ZINC000826458392 609315614 /nfs/dbraw/zinc/31/56/14/609315614.db2.gz NWMSBKRKWAEAEP-UHFFFAOYSA-N -1 1 393.386 2.046 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc[nH]c1=S ZINC000826458888 609315815 /nfs/dbraw/zinc/31/58/15/609315815.db2.gz LHCGFTPHUPOZAR-UHFFFAOYSA-N -1 1 382.384 2.128 20 0 GEADMM C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCS1 ZINC000824974539 609355207 /nfs/dbraw/zinc/35/52/07/609355207.db2.gz ASPZGJUDSNOPHT-JTQLQIEISA-N -1 1 388.432 2.161 20 0 GEADMM CS[C@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826226193 609358689 /nfs/dbraw/zinc/35/86/89/609358689.db2.gz ULLZUWALYSQCRN-SECBINFHSA-N -1 1 376.421 2.065 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3nn[nH]n3)cn2)c1 ZINC000826256652 609399718 /nfs/dbraw/zinc/39/97/18/609399718.db2.gz UGFZRHBPVAHKEV-UHFFFAOYSA-N -1 1 375.186 2.291 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000826341106 609404878 /nfs/dbraw/zinc/40/48/78/609404878.db2.gz WVXCVEAARAMTMB-KBPBESRZSA-N -1 1 384.440 2.182 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000826341106 609404879 /nfs/dbraw/zinc/40/48/79/609404879.db2.gz WVXCVEAARAMTMB-KBPBESRZSA-N -1 1 384.440 2.182 20 0 GEADMM CC1(C)CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000824796906 609412189 /nfs/dbraw/zinc/41/21/89/609412189.db2.gz UMGNJLYWGOICPE-ZDUSSCGKSA-N -1 1 385.472 2.207 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(Br)c2cccnc12 ZINC000826501521 609503348 /nfs/dbraw/zinc/50/33/48/609503348.db2.gz ULRWVVMZMDABCN-UHFFFAOYSA-N -1 1 383.209 2.387 20 0 GEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)on1 ZINC000824342740 609546600 /nfs/dbraw/zinc/54/66/00/609546600.db2.gz TVMPULLCDNIUES-UHFFFAOYSA-N -1 1 382.833 2.110 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826231686 609600039 /nfs/dbraw/zinc/60/00/39/609600039.db2.gz VVOGGLJNJINZAT-CMPLNLGQSA-N -1 1 388.497 2.406 20 0 GEADMM O=S(=O)(Cc1ccon1)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000447933098 650011038 /nfs/dbraw/zinc/01/10/38/650011038.db2.gz SGVJTZCDXOXZGO-UHFFFAOYSA-N -1 1 399.226 2.107 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N=c2nc(-c3ccsc3)[n-]s2)C[C@H](C)O1 ZINC000447999402 650012508 /nfs/dbraw/zinc/01/25/08/650012508.db2.gz MGVSAGCKUZQBGS-TXEJJXNPSA-N -1 1 381.527 2.309 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c(F)c1 ZINC000450958905 650076427 /nfs/dbraw/zinc/07/64/27/650076427.db2.gz NYSDGJXTNFTGSX-LBPRGKRZSA-N -1 1 378.491 2.398 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCSCC2)c(F)c1 ZINC000451067998 650083242 /nfs/dbraw/zinc/08/32/42/650083242.db2.gz YGYVZFFKKUVWCA-UHFFFAOYSA-N -1 1 396.531 2.105 20 0 GEADMM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000451069605 650083502 /nfs/dbraw/zinc/08/35/02/650083502.db2.gz LUZRCAWRXGMBTL-QMMMGPOBSA-N -1 1 384.832 2.372 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCSC)c(F)c1 ZINC000451213827 650096931 /nfs/dbraw/zinc/09/69/31/650096931.db2.gz FYAATUIBWJZEIW-UHFFFAOYSA-N -1 1 398.547 2.399 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)CCOC)c(F)c1 ZINC000451271657 650099672 /nfs/dbraw/zinc/09/96/72/650099672.db2.gz VKRDDCRBTRFNNC-UHFFFAOYSA-N -1 1 396.506 2.071 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCN1CC(F)(F)F ZINC000451196447 650095462 /nfs/dbraw/zinc/09/54/62/650095462.db2.gz NDTNCMGLUHVGCN-JTQLQIEISA-N -1 1 380.319 2.013 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](CC)C2)c(F)c1 ZINC000451292066 650101589 /nfs/dbraw/zinc/10/15/89/650101589.db2.gz BSRGPVUDALTVOY-GFCCVEGCSA-N -1 1 378.491 2.398 20 0 GEADMM O=S(=O)([N-]Cc1cnc(N2CCOCC2)c(F)c1)c1sccc1Cl ZINC000451389830 650110269 /nfs/dbraw/zinc/11/02/69/650110269.db2.gz ATCINAAKOHDLOV-UHFFFAOYSA-N -1 1 391.877 2.251 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1sccc1Cl)N[C@H]1CCOc2ccccc21 ZINC000451505892 650122054 /nfs/dbraw/zinc/12/20/54/650122054.db2.gz VAOGPZXFZPKQCE-LBPRGKRZSA-N -1 1 386.882 2.320 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CSC[C@H]2C)c(F)c1 ZINC000451524169 650123009 /nfs/dbraw/zinc/12/30/09/650123009.db2.gz BQNMDVZMLTVIBQ-ZWNOBZJWSA-N -1 1 396.531 2.007 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CSC[C@@H]2C)c(F)c1 ZINC000451524166 650123119 /nfs/dbraw/zinc/12/31/19/650123119.db2.gz BQNMDVZMLTVIBQ-GWCFXTLKSA-N -1 1 396.531 2.007 20 0 GEADMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000451662504 650130389 /nfs/dbraw/zinc/13/03/89/650130389.db2.gz VNBGMOXYCNOASD-LBPRGKRZSA-N -1 1 375.796 2.425 20 0 GEADMM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451745861 650138535 /nfs/dbraw/zinc/13/85/35/650138535.db2.gz YFLSQUVNPLIPKI-VIFPVBQESA-N -1 1 396.943 2.161 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000451944602 650156184 /nfs/dbraw/zinc/15/61/84/650156184.db2.gz POOAPVZNAAMMRU-UHFFFAOYSA-N -1 1 382.265 2.135 20 0 GEADMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000451951101 650156991 /nfs/dbraw/zinc/15/69/91/650156991.db2.gz CDMRYEDWFILGCG-ZCFIWIBFSA-N -1 1 387.658 2.045 20 0 GEADMM CCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)o1 ZINC000451961336 650158272 /nfs/dbraw/zinc/15/82/72/650158272.db2.gz SAYRFVWQSHIDMH-UHFFFAOYSA-N -1 1 388.829 2.164 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000452049991 650169226 /nfs/dbraw/zinc/16/92/26/650169226.db2.gz VEICVVOXRQNEEO-QPUJVOFHSA-N -1 1 382.265 2.219 20 0 GEADMM CS(=O)(=O)CC1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000452276948 650178107 /nfs/dbraw/zinc/17/81/07/650178107.db2.gz KREXHLCGEZICKJ-UHFFFAOYSA-N -1 1 390.299 2.488 20 0 GEADMM C[C@H](Cc1cnn(C)c1)NC(=O)c1cc(I)ccc1[O-] ZINC000456431727 650340031 /nfs/dbraw/zinc/34/00/31/650340031.db2.gz GDPSXIYZMBICNX-SECBINFHSA-N -1 1 385.205 2.091 20 0 GEADMM O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cncc([O-])c1 ZINC000456726918 650359877 /nfs/dbraw/zinc/35/98/77/650359877.db2.gz RFXRQAQXTJIDEQ-NSHDSACASA-N -1 1 383.217 2.270 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)cs1 ZINC000504508522 650432356 /nfs/dbraw/zinc/43/23/56/650432356.db2.gz VBHOLINAMXMGRY-UHFFFAOYSA-N -1 1 385.419 2.189 20 0 GEADMM CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)[N-]C)o3)sc2c1 ZINC000505443204 650437902 /nfs/dbraw/zinc/43/79/02/650437902.db2.gz DRQPYBURONUZCJ-UHFFFAOYSA-N -1 1 381.435 2.448 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)n1 ZINC000506946952 650452409 /nfs/dbraw/zinc/45/24/09/650452409.db2.gz VTSJNNZUNOMHAY-UHFFFAOYSA-N -1 1 381.797 2.479 20 0 GEADMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cncc(Cl)c1)OCCCO2 ZINC000507007042 650452910 /nfs/dbraw/zinc/45/29/10/650452910.db2.gz KHQJZHDCVYSIBB-UHFFFAOYSA-N -1 1 384.797 2.395 20 0 GEADMM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])s1 ZINC000461466525 650454915 /nfs/dbraw/zinc/45/49/15/650454915.db2.gz VQDQTLHVFJDQMB-VIFPVBQESA-N -1 1 385.467 2.107 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(F)cc2Cl)c1 ZINC000461465724 650455150 /nfs/dbraw/zinc/45/51/50/650455150.db2.gz PWOPVSWNPXDYGR-UHFFFAOYSA-N -1 1 388.804 2.110 20 0 GEADMM CC(C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1csc(-c2cccs2)n1 ZINC000507038829 650453730 /nfs/dbraw/zinc/45/37/30/650453730.db2.gz PGCMVAGBARMNIQ-UHFFFAOYSA-N -1 1 397.507 2.310 20 0 GEADMM CC(C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1csc(-c2cccs2)n1 ZINC000507038829 650453732 /nfs/dbraw/zinc/45/37/32/650453732.db2.gz PGCMVAGBARMNIQ-UHFFFAOYSA-N -1 1 397.507 2.310 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1F ZINC000507571489 650463403 /nfs/dbraw/zinc/46/34/03/650463403.db2.gz WEQLQLZVHDKOTA-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cn1 ZINC000507980648 650471438 /nfs/dbraw/zinc/47/14/38/650471438.db2.gz UKZPFXQJUAHTNT-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM O=S(=O)([N-]CCCOC1CCOCC1)c1sccc1Br ZINC000462322887 650475054 /nfs/dbraw/zinc/47/50/54/650475054.db2.gz RKEBJNWCCXPDHQ-UHFFFAOYSA-N -1 1 384.317 2.375 20 0 GEADMM CN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508378487 650479805 /nfs/dbraw/zinc/47/98/05/650479805.db2.gz XRPIYOSVEHPXAU-UHFFFAOYSA-N -1 1 396.216 2.077 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)ccc1C ZINC000509101150 650486551 /nfs/dbraw/zinc/48/65/51/650486551.db2.gz XDXDMXDRCCXANH-UHFFFAOYSA-N -1 1 386.520 2.426 20 0 GEADMM NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000509254914 650491801 /nfs/dbraw/zinc/49/18/01/650491801.db2.gz MCTLEMTVPKIIQX-UHFFFAOYSA-N -1 1 378.475 2.390 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000509942104 650503957 /nfs/dbraw/zinc/50/39/57/650503957.db2.gz GISWDFNOIYKINW-GDBMZVCRSA-N -1 1 389.901 2.160 20 0 GEADMM 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O=C(NCCc1nnnn1-c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000514008397 650572598 /nfs/dbraw/zinc/57/25/98/650572598.db2.gz IIBGBBFNYGRQLQ-UHFFFAOYSA-N -1 1 388.225 2.103 20 0 GEADMM Cc1ccccc1CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477187668 650571100 /nfs/dbraw/zinc/57/11/00/650571100.db2.gz DMJKDHTUXRCZAX-UHFFFAOYSA-N -1 1 386.470 2.027 20 0 GEADMM Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000477022522 650566094 /nfs/dbraw/zinc/56/60/94/650566094.db2.gz DZONVHZLWVXILF-UHFFFAOYSA-N -1 1 375.230 2.100 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CCCN1Cc1ccccn1 ZINC000514711583 650577431 /nfs/dbraw/zinc/57/74/31/650577431.db2.gz BZLIZOYFXZFLPC-ZDUSSCGKSA-N -1 1 385.898 2.266 20 0 GEADMM O=S(=O)([N-]Cc1ccc(Cn2cncn2)cc1)c1ccc(Br)o1 ZINC000514890756 650582602 /nfs/dbraw/zinc/58/26/02/650582602.db2.gz LWGVDRCSLSLFNQ-UHFFFAOYSA-N -1 1 397.254 2.160 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ccccc2S(C)(=O)=O)c(=O)[n-]1 ZINC000515210182 650589489 /nfs/dbraw/zinc/58/94/89/650589489.db2.gz 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CSc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)cc1 ZINC000747407086 652163338 /nfs/dbraw/zinc/16/33/38/652163338.db2.gz OGZDABSKNPWWDK-UHFFFAOYSA-N -1 1 377.447 2.266 20 0 GEADMM C[C@@H](CN(C)C(=O)c1ccccc1-n1cc(Br)cn1)c1nn[n-]n1 ZINC000577149083 652165430 /nfs/dbraw/zinc/16/54/30/652165430.db2.gz RKEUNFFBFRLPPL-JTQLQIEISA-N -1 1 390.245 2.024 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1noc(Cc2ccccc2)n1 ZINC000577575979 652198220 /nfs/dbraw/zinc/19/82/20/652198220.db2.gz WBBGBVRVIOVQKC-SNVBAGLBSA-N -1 1 381.845 2.087 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2cn3ccsc3n2)o1 ZINC000749190186 652239911 /nfs/dbraw/zinc/23/99/11/652239911.db2.gz WWCHYIKGEOEAPQ-UHFFFAOYSA-N -1 1 383.451 2.423 20 0 GEADMM O=C(CCCNC(=O)c1c([O-])cnc2c(Br)cccc21)NC1CC1 ZINC000578805534 652295697 /nfs/dbraw/zinc/29/56/97/652295697.db2.gz SPICNDMEXLJGDY-UHFFFAOYSA-N -1 1 392.253 2.492 20 0 GEADMM O=S(=O)([N-][C@@H](C1CCOCC1)C1(CO)CCC1)c1cccc(F)c1F ZINC000578981581 652308491 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O=S(=O)([N-]C[C@@H](O)c1ccco1)c1cc(Br)cnc1Cl ZINC000751205012 652330723 /nfs/dbraw/zinc/33/07/23/652330723.db2.gz LHEBTXDAKBZUKE-MRVPVSSYSA-N -1 1 381.635 2.102 20 0 GEADMM CC[S@@](=O)CCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000751225840 652332745 /nfs/dbraw/zinc/33/27/45/652332745.db2.gz OYYWKZGOPPSPEX-XMMPIXPASA-N -1 1 389.449 2.341 20 0 GEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)o1 ZINC000659913706 652371258 /nfs/dbraw/zinc/37/12/58/652371258.db2.gz APFOULRFTYJXJU-NVXWUHKLSA-N -1 1 375.487 2.033 20 0 GEADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000580272599 652373242 /nfs/dbraw/zinc/37/32/42/652373242.db2.gz UDZDDHHKVASGJO-UHFFFAOYSA-N -1 1 378.841 2.443 20 0 GEADMM O=C(CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)NCc1ccc(Cl)s1 ZINC000580394827 652378956 /nfs/dbraw/zinc/37/89/56/652378956.db2.gz VJQCFBHVBYHYJF-UHFFFAOYSA-N -1 1 396.881 2.277 20 0 GEADMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)NCc1ccc(Cl)s1 ZINC000580394827 652378959 /nfs/dbraw/zinc/37/89/59/652378959.db2.gz VJQCFBHVBYHYJF-UHFFFAOYSA-N -1 1 396.881 2.277 20 0 GEADMM O=S(=O)([N-]CC1(O)CCC(F)(F)CC1)c1ncccc1Br ZINC000660070439 652382606 /nfs/dbraw/zinc/38/26/06/652382606.db2.gz BUNSFYHCBRQYHF-UHFFFAOYSA-N -1 1 385.230 2.063 20 0 GEADMM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000660114041 652387875 /nfs/dbraw/zinc/38/78/75/652387875.db2.gz QQXHQOFXMCNUIS-FZMZJTMJSA-N -1 1 385.283 2.287 20 0 GEADMM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000660114050 652387905 /nfs/dbraw/zinc/38/79/05/652387905.db2.gz QQXHQOFXMCNUIS-SMDDNHRTSA-N -1 1 385.283 2.287 20 0 GEADMM C[C@H](CN(C)[C@H]1CCN(CC(=O)[O-])C1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000662212955 652452911 /nfs/dbraw/zinc/45/29/11/652452911.db2.gz YYPRGCHZQLLJOJ-YGRLFVJLSA-N -1 1 375.252 2.378 20 0 GEADMM O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000582974872 652469433 /nfs/dbraw/zinc/46/94/33/652469433.db2.gz FTOYRNFFQRRXMZ-MNOVXSKESA-N -1 1 391.287 2.254 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)co1 ZINC000755858792 652478446 /nfs/dbraw/zinc/47/84/46/652478446.db2.gz DAPKLPLZRZTZPB-UHFFFAOYSA-N -1 1 383.451 2.214 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)co1 ZINC000755880798 652479601 /nfs/dbraw/zinc/47/96/01/652479601.db2.gz RLODVWMJAYVCIH-UHFFFAOYSA-N -1 1 383.451 2.214 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)CCCC1 ZINC000583295135 652480406 /nfs/dbraw/zinc/48/04/06/652480406.db2.gz PYLIPARPLVRQQF-UHFFFAOYSA-N -1 1 393.259 2.025 20 0 GEADMM O=C([O-])C1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC=CC1 ZINC000663099979 652483137 /nfs/dbraw/zinc/48/31/37/652483137.db2.gz YVMFBDHBHAPJBO-UHFFFAOYSA-N -1 1 391.225 2.271 20 0 GEADMM O=C([O-])C1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC=CC1 ZINC000663099979 652483139 /nfs/dbraw/zinc/48/31/39/652483139.db2.gz YVMFBDHBHAPJBO-UHFFFAOYSA-N -1 1 391.225 2.271 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000629588351 652494590 /nfs/dbraw/zinc/49/45/90/652494590.db2.gz KXEJBSZJTMLYOK-SNVBAGLBSA-N -1 1 388.207 2.057 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)co1 ZINC000756406652 652498210 /nfs/dbraw/zinc/49/82/10/652498210.db2.gz WKMIOFZZNHEYTK-SECBINFHSA-N -1 1 386.813 2.025 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1F ZINC000584105649 652509257 /nfs/dbraw/zinc/50/92/57/652509257.db2.gz JOXUEIFPYSVCPW-UHFFFAOYSA-N -1 1 393.408 2.300 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000584266670 652514589 /nfs/dbraw/zinc/51/45/89/652514589.db2.gz HSCWMRFYCLKUGJ-NSHDSACASA-N -1 1 397.762 2.056 20 0 GEADMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)nc1C ZINC000757370700 652516336 /nfs/dbraw/zinc/51/63/36/652516336.db2.gz ZXFCRPZOKFYINM-MRVPVSSYSA-N -1 1 392.890 2.055 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000584682426 652525470 /nfs/dbraw/zinc/52/54/70/652525470.db2.gz UFOWQIHOAXJRPE-UHFFFAOYSA-N -1 1 385.873 2.245 20 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CC[C@@]1(O)CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000634211014 652634181 /nfs/dbraw/zinc/63/41/81/652634181.db2.gz MPWSRHUFKXIQLV-OAHLLOKOSA-N -1 1 395.308 2.035 20 0 GEADMM O=c1c2c([nH]n1-c1ccc(S(=O)(=O)[N-]c3nccs3)cc1)CCSC2 ZINC000634617042 652645199 /nfs/dbraw/zinc/64/51/99/652645199.db2.gz DQFFCKJPYYYVFP-GFCCVEGCSA-N -1 1 394.503 2.400 20 0 GEADMM CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(=O)OC ZINC000594446619 652650868 /nfs/dbraw/zinc/65/08/68/652650868.db2.gz QCMFZMRNUWXFKF-OAHLLOKOSA-N -1 1 395.836 2.276 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)c1F ZINC000594460501 652656587 /nfs/dbraw/zinc/65/65/87/652656587.db2.gz QHNQEWIVCKWDSA-NSHDSACASA-N -1 1 391.804 2.261 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)c1F ZINC000594464106 652657208 /nfs/dbraw/zinc/65/72/08/652657208.db2.gz WJJMEVCDVVIDAJ-CZUORRHYSA-N -1 1 393.864 2.485 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ccnc32)c1F ZINC000594464735 652657925 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GEADMM CCOCCOCc1cccc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)c1 ZINC000866494399 653798906 /nfs/dbraw/zinc/79/89/06/653798906.db2.gz NWGUGFNEZFVFJL-UHFFFAOYSA-N -1 1 392.543 2.082 20 0 GEADMM CN(C)[S@](=O)(=NS(=O)(=O)[N-]c1cccc2c1CCO2)c1ccccc1 ZINC000882720756 653800345 /nfs/dbraw/zinc/80/03/45/653800345.db2.gz ISZRMHONJXHNCR-XMMPIXPASA-N -1 1 381.479 2.282 20 0 GEADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc(F)c(F)cc1N1CCCCC1 ZINC000882725268 653800466 /nfs/dbraw/zinc/80/04/66/653800466.db2.gz OAWTYYRCIIJVOA-DEOSSOPVSA-N -1 1 396.485 2.186 20 0 GEADMM O=S(=O)([N-][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)cnc1Cl ZINC000866528435 653800840 /nfs/dbraw/zinc/80/08/40/653800840.db2.gz DVIZKQHJFNFZEC-NSHDSACASA-N -1 1 388.280 2.126 20 0 GEADMM Cn1[n-]cc2c(=NC(=O)c3ccccc3I)ccnc1-2 ZINC000791165097 653804034 /nfs/dbraw/zinc/80/40/34/653804034.db2.gz AXKBFFKCEJNWDJ-UHFFFAOYSA-N -1 1 378.173 2.199 20 0 GEADMM Cn1[n-]cc2c(=NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)ccnc1-2 ZINC000791164517 653804163 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GEADMM CCCOc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cn1 ZINC000866752447 653819477 /nfs/dbraw/zinc/81/94/77/653819477.db2.gz OXXWYUMKPKYPGO-DEOSSOPVSA-N -1 1 383.495 2.362 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(F)cc(N(C)C)c1 ZINC000844833337 653822157 /nfs/dbraw/zinc/82/21/57/653822157.db2.gz IIMQEHATWOIFNZ-UHFFFAOYSA-N -1 1 386.470 2.404 20 0 GEADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)cs1)c1nc[nH]c1Br ZINC000866855599 653838573 /nfs/dbraw/zinc/83/85/73/653838573.db2.gz QAAJIWVDKUIMKD-UHFFFAOYSA-N -1 1 391.194 2.126 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000866857888 653838971 /nfs/dbraw/zinc/83/89/71/653838971.db2.gz ULDXKBGKCOVEGF-GYCJOSAFSA-N -1 1 382.507 2.144 20 0 GEADMM Cc1cnc([C@H]([N-]S(=O)(=O)c2cnn(C)c2Br)C2CC2)s1 ZINC000866877585 653841652 /nfs/dbraw/zinc/84/16/52/653841652.db2.gz OCKVBLCALBGPOE-SNVBAGLBSA-N -1 1 391.316 2.377 20 0 GEADMM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c1 ZINC000866880155 653842162 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O=S(=O)([N-]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccns1 ZINC000884997271 653904443 /nfs/dbraw/zinc/90/44/43/653904443.db2.gz OESILQWOESTEBW-AWEZNQCLSA-N -1 1 387.914 2.148 20 0 GEADMM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)Nc1nc(Br)ccc1[O-] ZINC000897107951 653907943 /nfs/dbraw/zinc/90/79/43/653907943.db2.gz CJIKCVLZNFKAEB-MWLCHTKSSA-N -1 1 387.230 2.189 20 0 GEADMM O=S(=O)([N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1cc(Cl)cnc1Cl ZINC000867283822 653909138 /nfs/dbraw/zinc/90/91/38/653909138.db2.gz PZBPGMOSUAYMBE-AAEUAGOBSA-N -1 1 395.308 2.377 20 0 GEADMM COc1cc(CC[N-]S(=O)(=O)c2nc[nH]c2Br)ccc1Cl ZINC000867312516 653914202 /nfs/dbraw/zinc/91/42/02/653914202.db2.gz FSGZLHQFYJCTRD-UHFFFAOYSA-N -1 1 394.678 2.355 20 0 GEADMM C[C@@H](CCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867317261 653914960 /nfs/dbraw/zinc/91/49/60/653914960.db2.gz BEWHWTLHOOFJBU-JTQLQIEISA-N -1 1 379.429 2.332 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](COC)c1ccc(Cl)cc1 ZINC000867349844 653920118 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/nfs/dbraw/zinc/57/40/47/654574047.db2.gz UPQHLEFKEKDKCC-LLVKDONJSA-N -1 1 396.531 2.150 20 0 GEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000907798273 654580076 /nfs/dbraw/zinc/58/00/76/654580076.db2.gz HGMVEBJHYJNOAY-DEOSSOPVSA-N -1 1 388.511 2.178 20 0 GEADMM O=C(c1sc2cccc(F)c2c1Cl)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907943641 654591868 /nfs/dbraw/zinc/59/18/68/654591868.db2.gz JQHVJAIFRMIGAQ-UHFFFAOYSA-N -1 1 381.820 2.331 20 0 GEADMM O=S(=O)([N-][C@H]1c2ccccc2OC[C@H]1CO)c1c(Cl)ccnc1Cl ZINC000907952664 654592366 /nfs/dbraw/zinc/59/23/66/654592366.db2.gz LYUMFPCKCQIRLX-NOZJJQNGSA-N -1 1 389.260 2.409 20 0 GEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCC(F)(F)C2)[n-]c1=O ZINC000908017277 654596970 /nfs/dbraw/zinc/59/69/70/654596970.db2.gz TZPAOBGLXAGYFL-MNOVXSKESA-N -1 1 377.413 2.093 20 0 GEADMM CS(=O)(=O)C1CCC(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000927370608 654600261 /nfs/dbraw/zinc/60/02/61/654600261.db2.gz PFKHBYSTBNEWQC-UHFFFAOYSA-N -1 1 390.299 2.488 20 0 GEADMM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000908394625 654624994 /nfs/dbraw/zinc/62/49/94/654624994.db2.gz BXDDPGAUGWFJEW-BSDKJSHOSA-N -1 1 383.857 2.059 20 0 GEADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000908397465 654625258 /nfs/dbraw/zinc/62/52/58/654625258.db2.gz VAGZDYABTXCTRV-KXKDPZRNSA-N -1 1 383.857 2.059 20 0 GEADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000908847594 654641596 /nfs/dbraw/zinc/64/15/96/654641596.db2.gz CIMJLOZVSFWXKK-WFASDCNBSA-N -1 1 399.285 2.049 20 0 GEADMM O=C([O-])CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000909805839 654676132 /nfs/dbraw/zinc/67/61/32/654676132.db2.gz KRRJGMNAPAEUQZ-GFCCVEGCSA-N -1 1 392.253 2.391 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000910021749 654686088 /nfs/dbraw/zinc/68/60/88/654686088.db2.gz JXZSCBLFWFBWOI-VHDGCEQUSA-N -1 1 381.270 2.218 20 0 GEADMM COc1c(Br)ccc(C)c1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000910172553 654690351 /nfs/dbraw/zinc/69/03/51/654690351.db2.gz BWJQZYNODKBEGD-LBPRGKRZSA-N -1 1 399.285 2.387 20 0 GEADMM O=C(Nc1nn(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000911441287 654724211 /nfs/dbraw/zinc/72/42/11/654724211.db2.gz QIHFOXKPWAYKNP-IYSWYEEDSA-N -1 1 392.687 2.494 20 0 GEADMM O=C([O-])c1cc(Br)cc(C(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC000911436678 654724243 /nfs/dbraw/zinc/72/42/43/654724243.db2.gz CUYXPXVHXSTJAA-UHFFFAOYSA-N -1 1 379.214 2.285 20 0 GEADMM CN(C)Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000911491628 654724634 /nfs/dbraw/zinc/72/46/34/654724634.db2.gz ODTLJZYIAQQSAV-CYBMUJFWSA-N -1 1 398.301 2.246 20 0 GEADMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1cccc(-c2nc(C)cs2)c1 ZINC000912537335 654758863 /nfs/dbraw/zinc/75/88/63/654758863.db2.gz DWMJBYIXRTZLHS-UHFFFAOYSA-N -1 1 379.419 2.396 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1Cl ZINC000912540610 654759137 /nfs/dbraw/zinc/75/91/37/654759137.db2.gz AOXRTFUIORHVTI-UHFFFAOYSA-N -1 1 392.264 2.414 20 0 GEADMM CSCC[C@H](NC(=O)Cc1ccc(Br)s1)c1nn[n-]n1 ZINC000912860658 654771754 /nfs/dbraw/zinc/77/17/54/654771754.db2.gz SMIHRCWFOSRDRC-QMMMGPOBSA-N -1 1 376.305 2.177 20 0 GEADMM CSCC[C@H](NC(=O)Cc1ccc(Br)cc1F)c1nn[n-]n1 ZINC000912863232 654772181 /nfs/dbraw/zinc/77/21/81/654772181.db2.gz PKBLFSDQZPYIOZ-NSHDSACASA-N -1 1 388.266 2.254 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@H]1c1nc[nH]n1 ZINC000912966238 654776847 /nfs/dbraw/zinc/77/68/47/654776847.db2.gz SMQMCBPEEZTJGY-JTQLQIEISA-N -1 1 384.177 2.092 20 0 GEADMM O=C(c1csc(-c2ccccc2Cl)n1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495491 654796160 /nfs/dbraw/zinc/79/61/60/654796160.db2.gz YSHLYWJWYLDIDG-GFCCVEGCSA-N -1 1 376.829 2.190 20 0 GEADMM Cc1cc2cc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)oc2c(Br)c1 ZINC000913497491 654796465 /nfs/dbraw/zinc/79/64/65/654796465.db2.gz KNKZHSQAYHNSCO-LLVKDONJSA-N -1 1 392.213 2.231 20 0 GEADMM Cc1cc(Br)cc2c(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)coc21 ZINC000913498993 654796542 /nfs/dbraw/zinc/79/65/42/654796542.db2.gz SVCLGVRRQYKJFN-GFCCVEGCSA-N -1 1 392.213 2.231 20 0 GEADMM CO[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1Br ZINC000913745439 654807471 /nfs/dbraw/zinc/80/74/71/654807471.db2.gz DYTZEESOFOXEQI-ZDUSSCGKSA-N -1 1 380.246 2.056 20 0 GEADMM CO[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(Br)s1 ZINC000913745786 654807559 /nfs/dbraw/zinc/80/75/59/654807559.db2.gz OEQAQUTZNVGDLP-LLVKDONJSA-N -1 1 386.275 2.117 20 0 GEADMM O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913746123 654807574 /nfs/dbraw/zinc/80/75/74/654807574.db2.gz KQSLMGBDWAXRIO-CQSZACIVSA-N -1 1 376.258 2.398 20 0 GEADMM CO[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(Br)s1 ZINC000913745787 654807599 /nfs/dbraw/zinc/80/75/99/654807599.db2.gz OEQAQUTZNVGDLP-NSHDSACASA-N -1 1 386.275 2.117 20 0 GEADMM CCC(O)(CC)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914150155 654830023 /nfs/dbraw/zinc/83/00/23/654830023.db2.gz LKVVRLUQLHCFSE-UHFFFAOYSA-N -1 1 384.267 2.426 20 0 GEADMM CC[C@@H](O)CCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914181022 654832990 /nfs/dbraw/zinc/83/29/90/654832990.db2.gz CUQCNEZMOJPHKS-BGJPBQGDSA-N -1 1 388.433 2.419 20 0 GEADMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914193636 654834299 /nfs/dbraw/zinc/83/42/99/654834299.db2.gz HOSGLZDYRBSNLZ-SFDCACGMSA-N -1 1 388.433 2.275 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CCO)C(C)C)c1F ZINC000914194682 654834328 /nfs/dbraw/zinc/83/43/28/654834328.db2.gz PXSGOZWYTHUCLG-JTQLQIEISA-N -1 1 384.267 2.282 20 0 GEADMM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1occc1Br ZINC000914239119 654837969 /nfs/dbraw/zinc/83/79/69/654837969.db2.gz SHTBBPZXFBEVGB-VIFPVBQESA-N -1 1 375.248 2.009 20 0 GEADMM C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914244123 654838513 /nfs/dbraw/zinc/83/85/13/654838513.db2.gz AYGBOSFHPPLSGV-ONGXEEELSA-N -1 1 380.388 2.052 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2nnc(C)o2)c1F ZINC000914247287 654838727 /nfs/dbraw/zinc/83/87/27/654838727.db2.gz BZHASXVSCMSRKN-LURJTMIESA-N -1 1 394.222 2.328 20 0 GEADMM COc1cnc([C@@H]2CCCN2Cc2ccc(Br)nc2N)[n-]c1=O ZINC000934269143 654842198 /nfs/dbraw/zinc/84/21/98/654842198.db2.gz DIWCHACSUACMHV-JTQLQIEISA-N -1 1 380.246 2.268 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C)C2)c1F ZINC000914318707 654844852 /nfs/dbraw/zinc/84/48/52/654844852.db2.gz WRCRVLFOWDVEKM-RKDXNWHRSA-N -1 1 382.251 2.443 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)c1F ZINC000914334050 654846385 /nfs/dbraw/zinc/84/63/85/654846385.db2.gz GPEIXFLPMPYSPX-SECBINFHSA-N -1 1 382.251 2.444 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCOCC2)c1F ZINC000914334051 654846460 /nfs/dbraw/zinc/84/64/60/654846460.db2.gz GPEIXFLPMPYSPX-VIFPVBQESA-N -1 1 382.251 2.444 20 0 GEADMM CC[C@@]1([N-]S(=O)(=O)c2c(Br)ccc(OC)c2F)CCOC1 ZINC000914428583 654853809 /nfs/dbraw/zinc/85/38/09/654853809.db2.gz TWHCKOUCKWDRFW-CYBMUJFWSA-N -1 1 382.251 2.444 20 0 GEADMM Cc1csc(C)c1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000915742452 654878352 /nfs/dbraw/zinc/87/83/52/654878352.db2.gz SWTKAQFYNSQQMO-LLVKDONJSA-N -1 1 384.445 2.444 20 0 GEADMM CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000915876566 654881476 /nfs/dbraw/zinc/88/14/76/654881476.db2.gz XYPSGGXBTORNPK-RYUDHWBXSA-N -1 1 388.511 2.456 20 0 GEADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccc(I)cc1)c1nn[n-]n1 ZINC000935365646 654889626 /nfs/dbraw/zinc/88/96/26/654889626.db2.gz JVVJYBUBIFCPRT-NXEZZACHSA-N -1 1 399.236 2.170 20 0 GEADMM O=C(c1cnn2cccc(Br)c12)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000935830442 654919961 /nfs/dbraw/zinc/91/99/61/654919961.db2.gz XSUWKTMVEKQIMR-UHFFFAOYSA-N -1 1 392.213 2.205 20 0 GEADMM Cc1nnc([C@@H](C)S(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)o1 ZINC000152033383 531527388 /nfs/dbraw/zinc/52/73/88/531527388.db2.gz VGEAEZGIHOSPLT-ZCFIWIBFSA-N -1 1 386.231 2.255 20 0 GEADMM Cc1nnc([C@@H](C)S(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)o1 ZINC000152033383 531527408 /nfs/dbraw/zinc/52/74/08/531527408.db2.gz VGEAEZGIHOSPLT-ZCFIWIBFSA-N -1 1 386.231 2.255 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)co1 ZINC000152185832 531537185 /nfs/dbraw/zinc/53/71/85/531537185.db2.gz COXCMLOIAWHFDS-OAHLLOKOSA-N -1 1 380.491 2.426 20 0 GEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000007708340 531543611 /nfs/dbraw/zinc/54/36/11/531543611.db2.gz BVEVQXWTVBANJH-UHFFFAOYSA-N -1 1 396.368 2.033 20 0 GEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000007054941 531536377 /nfs/dbraw/zinc/53/63/77/531536377.db2.gz UXMZLSYLIZHVQQ-UHFFFAOYSA-N -1 1 394.396 2.414 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)co1 ZINC000152550201 531558104 /nfs/dbraw/zinc/55/81/04/531558104.db2.gz KNMMBXUMRQSUSP-BONVTDFDSA-N -1 1 386.857 2.347 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000032682192 531653162 /nfs/dbraw/zinc/65/31/62/531653162.db2.gz IODGYUSOGARGEQ-UHFFFAOYSA-N -1 1 376.356 2.479 20 0 GEADMM O=S(=O)([N-]CCCOC[C@@H]1CCCO1)c1sccc1Br ZINC000048444268 531732430 /nfs/dbraw/zinc/73/24/30/531732430.db2.gz UECRLKPMPJUMBP-JTQLQIEISA-N -1 1 384.317 2.375 20 0 GEADMM NS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)co1 ZINC000158109480 531766582 /nfs/dbraw/zinc/76/65/82/531766582.db2.gz JJUHIHSDFZZKQM-UHFFFAOYSA-N -1 1 384.826 2.351 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O ZINC000157708653 531751988 /nfs/dbraw/zinc/75/19/88/531751988.db2.gz QXOCWHFYOZCXNW-UHFFFAOYSA-N -1 1 394.396 2.115 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c(Cl)cccc2Cl)o1 ZINC000054197215 531775234 /nfs/dbraw/zinc/77/52/34/531775234.db2.gz OKHPBHLQOHMDNP-UHFFFAOYSA-N -1 1 377.249 2.467 20 0 GEADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000055595745 531795920 /nfs/dbraw/zinc/79/59/20/531795920.db2.gz SPGNYXWCRBNXPJ-UHFFFAOYSA-N -1 1 383.495 2.301 20 0 GEADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)c1C ZINC000060738627 531847859 /nfs/dbraw/zinc/84/78/59/531847859.db2.gz GGEFTCQRAIUZTH-UHFFFAOYSA-N -1 1 383.495 2.336 20 0 GEADMM CN(CCOc1ccc(Cl)cc1)C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000063927270 531862728 /nfs/dbraw/zinc/86/27/28/531862728.db2.gz JHILGGHEXDCWEL-UHFFFAOYSA-N -1 1 383.853 2.357 20 0 GEADMM CC(C)CCC(=O)NCC(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000067149986 531876832 /nfs/dbraw/zinc/87/68/32/531876832.db2.gz UQFXHJGRLZYFSS-UHFFFAOYSA-N -1 1 382.515 2.016 20 0 GEADMM O=S(=O)([N-]c1ccc(F)c(N2CCCS2(=O)=O)c1)c1cccc(F)c1 ZINC000068226726 531901965 /nfs/dbraw/zinc/90/19/65/531901965.db2.gz IXCWZHMWUQPZBL-UHFFFAOYSA-N -1 1 388.417 2.306 20 0 GEADMM O=C(NCCCNC(=O)c1ncccc1[O-])c1cccc(Br)c1 ZINC000171300903 531904385 /nfs/dbraw/zinc/90/43/85/531904385.db2.gz ZAVKFSAJWYOWMD-UHFFFAOYSA-N -1 1 378.226 2.100 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000071848850 531915097 /nfs/dbraw/zinc/91/50/97/531915097.db2.gz KULVWIRLTBHRTC-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)CS(=O)(=O)CC ZINC000094137127 531931556 /nfs/dbraw/zinc/93/15/56/531931556.db2.gz QHYYGSHHWWMWAJ-SNVBAGLBSA-N -1 1 378.288 2.440 20 0 GEADMM Cc1cc(C(=O)Nc2ccc(Br)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172601081 531960576 /nfs/dbraw/zinc/96/05/76/531960576.db2.gz ITAHJXFUISNSSG-UHFFFAOYSA-N -1 1 375.182 2.347 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000173023285 531980455 /nfs/dbraw/zinc/98/04/55/531980455.db2.gz WSDLCVAVVWTLCD-LLVKDONJSA-N -1 1 389.880 2.200 20 0 GEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc([S@@](C)=O)cc3)cc21 ZINC000174741193 532076072 /nfs/dbraw/zinc/07/60/72/532076072.db2.gz AOPNGQUOFKCQRW-XMMPIXPASA-N -1 1 378.475 2.134 20 0 GEADMM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2sccc2Br)CC1=O ZINC000175339365 532100835 /nfs/dbraw/zinc/10/08/35/532100835.db2.gz PMLMHNXRCWNLQV-MRVPVSSYSA-N -1 1 381.317 2.188 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000175936663 532119531 /nfs/dbraw/zinc/11/95/31/532119531.db2.gz YXFBEJSHOGLYOI-ZDUSSCGKSA-N -1 1 380.901 2.486 20 0 GEADMM CCC[NH+]1CCC(NS(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000125516886 532137140 /nfs/dbraw/zinc/13/71/40/532137140.db2.gz XBVHFTRWLBMLBD-UHFFFAOYSA-N -1 1 382.349 2.367 20 0 GEADMM O=C(NCCC[N-]S(=O)(=O)c1sccc1Br)C1CCC1 ZINC000176909684 532154650 /nfs/dbraw/zinc/15/46/50/532154650.db2.gz VIMMTRVEMMLVKZ-UHFFFAOYSA-N -1 1 381.317 2.095 20 0 GEADMM Cn1cc(Br)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1=O ZINC000176544705 532141104 /nfs/dbraw/zinc/14/11/04/532141104.db2.gz LPGSMHHOVWULSA-UHFFFAOYSA-N -1 1 379.182 2.227 20 0 GEADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@]2(O)CCSC2)c1 ZINC000176715285 532146224 /nfs/dbraw/zinc/14/62/24/532146224.db2.gz OINRSKGLQWZSDK-QGZVFWFLSA-N -1 1 378.523 2.290 20 0 GEADMM C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])N1CCN(C)CC1 ZINC000177168080 532164149 /nfs/dbraw/zinc/16/41/49/532164149.db2.gz HSYNNBPCFRDIPU-JTQLQIEISA-N -1 1 390.709 2.174 20 0 GEADMM O=S(=O)([N-][C@H]1CC[C@H](CO)CC1)c1cc(Br)cnc1Cl ZINC000179505093 532233248 /nfs/dbraw/zinc/23/32/48/532233248.db2.gz VUDAXXWMNFHXNT-WAAGHKOSSA-N -1 1 383.695 2.327 20 0 GEADMM O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Br)c([O-])c1 ZINC000179537815 532234656 /nfs/dbraw/zinc/23/46/56/532234656.db2.gz PDDGXERMYZNXBP-GFCCVEGCSA-N -1 1 377.242 2.344 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2sccc2Br)c1 ZINC000179228332 532225574 /nfs/dbraw/zinc/22/55/74/532225574.db2.gz JIJCQRFTNUCNEH-UHFFFAOYSA-N -1 1 380.241 2.369 20 0 GEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000179767404 532243162 /nfs/dbraw/zinc/24/31/62/532243162.db2.gz GBZNLDYFOQWETF-UHFFFAOYSA-N -1 1 398.359 2.415 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncn(C)c3=O)cc2)cc1Cl ZINC000179882284 532248099 /nfs/dbraw/zinc/24/80/99/532248099.db2.gz DNWRYBGYGZLSIP-UHFFFAOYSA-N -1 1 378.841 2.334 20 0 GEADMM Cc1cc2cc(C(=O)NCCCc3nc(=O)[n-][nH]3)oc2c(Br)c1 ZINC000180820123 532282586 /nfs/dbraw/zinc/28/25/86/532282586.db2.gz GLBDNPLLLFUFHA-UHFFFAOYSA-N -1 1 379.214 2.278 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000136880694 532287093 /nfs/dbraw/zinc/28/70/93/532287093.db2.gz 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O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000680532499 532416243 /nfs/dbraw/zinc/41/62/43/532416243.db2.gz KJOOKAPDXPYAQS-UHFFFAOYSA-N -1 1 379.276 2.017 20 0 GEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1CS(C)(=O)=O)OCO2 ZINC000280917283 532416524 /nfs/dbraw/zinc/41/65/24/532416524.db2.gz HADBDFNAIJOPOI-UHFFFAOYSA-N -1 1 383.447 2.069 20 0 GEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@@]12CCCO2 ZINC000680539186 532418082 /nfs/dbraw/zinc/41/80/82/532418082.db2.gz SIRBMCQWJWVKJR-BREBYQMCSA-N -1 1 380.260 2.047 20 0 GEADMM CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)s1 ZINC000427292260 532419889 /nfs/dbraw/zinc/41/98/89/532419889.db2.gz OQCAIKUAYAXGAV-UHFFFAOYSA-N -1 1 386.426 2.065 20 0 GEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)[C@H](O)C(F)(F)F ZINC000591785489 532422981 /nfs/dbraw/zinc/42/29/81/532422981.db2.gz NIYFJNQKTVJOLM-ANLVUFKYSA-N -1 1 389.111 2.038 20 0 GEADMM O=C(CSc1ccc(O)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281587540 532425699 /nfs/dbraw/zinc/42/56/99/532425699.db2.gz BYYSSKGECMJMIZ-UHFFFAOYSA-N -1 1 376.400 2.401 20 0 GEADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000466352940 532426160 /nfs/dbraw/zinc/42/61/60/532426160.db2.gz PBINLHBQDANYRK-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1cc(F)ccc1F ZINC000681566212 532430397 /nfs/dbraw/zinc/43/03/97/532430397.db2.gz AUGKZRBBVSTRJL-LBPRGKRZSA-N -1 1 381.278 2.486 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1ccc(OC)c(Cl)c1 ZINC000592045254 532436996 /nfs/dbraw/zinc/43/69/96/532436996.db2.gz CNBAKPFZQWIBRL-LSDHHAIUSA-N -1 1 393.889 2.153 20 0 GEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cnc(OC)c(Cl)c2)s1 ZINC000592055083 532438405 /nfs/dbraw/zinc/43/84/05/532438405.db2.gz HUPZPVHBTXXLHG-ZETCQYMHSA-N -1 1 391.858 2.026 20 0 GEADMM CC(C)(NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12)c1nn[n-]n1 ZINC000467392608 532444574 /nfs/dbraw/zinc/44/45/74/532444574.db2.gz IAIQWGDCPJVCIV-BLLLJJGKSA-N -1 1 376.258 2.218 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1sccc1Br)N1CCCCC1=O ZINC000194594336 532453585 /nfs/dbraw/zinc/45/35/85/532453585.db2.gz NPNZPUYEXPYESF-SECBINFHSA-N -1 1 381.317 2.190 20 0 GEADMM COC[C@]1(C)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000295540875 532457970 /nfs/dbraw/zinc/45/79/70/532457970.db2.gz SDTYHACJCSNKTE-OAHLLOKOSA-N -1 1 395.308 2.157 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N(C)C)o1 ZINC000519376696 532461583 /nfs/dbraw/zinc/46/15/83/532461583.db2.gz YTUOZKXSOMWVAW-ZDUSSCGKSA-N -1 1 386.857 2.301 20 0 GEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C2CC2)no1 ZINC000562406240 532464677 /nfs/dbraw/zinc/46/46/77/532464677.db2.gz JFJYRQOJKNAUOK-ZDUSSCGKSA-N -1 1 376.360 2.396 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@](C)(O)Cn2ccccc2=O)c1 ZINC000468429526 532464956 /nfs/dbraw/zinc/46/49/56/532464956.db2.gz VOLDMHWQCSKTCJ-MRXNPFEDSA-N -1 1 381.226 2.015 20 0 GEADMM C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195113525 532468448 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CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(OCC)c(Cl)c1 ZINC000569714679 532705056 /nfs/dbraw/zinc/70/50/56/532705056.db2.gz CRYDSXNMXDWKFH-UHFFFAOYSA-N -1 1 387.845 2.117 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1OC ZINC000299315036 532709286 /nfs/dbraw/zinc/70/92/86/532709286.db2.gz IEWVRGYXXJWRBO-UHFFFAOYSA-N -1 1 385.463 2.049 20 0 GEADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1ccc(I)c([O-])c1 ZINC000394338122 532710795 /nfs/dbraw/zinc/71/07/95/532710795.db2.gz DVMFXRKELNYWAH-LYEQHPFYSA-N -1 1 399.228 2.492 20 0 GEADMM Cc1nc(C2([N-]S(=O)(=O)c3cncc(Br)c3)CCCC2)no1 ZINC000299359778 532712260 /nfs/dbraw/zinc/71/22/60/532712260.db2.gz UNZXRAXSNCBQGR-UHFFFAOYSA-N -1 1 387.259 2.283 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)[N-]c2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000538669301 532714179 /nfs/dbraw/zinc/71/41/79/532714179.db2.gz BJYHJABSELMTAI-SNVBAGLBSA-N -1 1 375.376 2.285 20 0 GEADMM Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000299426498 532715628 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395.308 2.299 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc1Cl ZINC000328037426 532793102 /nfs/dbraw/zinc/79/31/02/532793102.db2.gz LURDDVXPBYTHIM-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1 ZINC000327970324 532793149 /nfs/dbraw/zinc/79/31/49/532793149.db2.gz XJRCLGRVRKZNMZ-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)N1CCc2ccccc2C1 ZINC000556366307 532810282 /nfs/dbraw/zinc/81/02/82/532810282.db2.gz FLORGCSPXNDTQL-UHFFFAOYSA-N -1 1 382.844 2.342 20 0 GEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)OC(C)(C)C ZINC000462067943 532800021 /nfs/dbraw/zinc/80/00/21/532800021.db2.gz QAHTYGAEPXCRHN-STQMWFEESA-N -1 1 377.503 2.006 20 0 GEADMM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cc(I)ccc1[O-] ZINC000412819818 532800959 /nfs/dbraw/zinc/80/09/59/532800959.db2.gz PWPPGCGCIWOGHX-GXSJLCMTSA-N -1 1 397.159 2.275 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)NC(C)(C)C ZINC000330776757 532826584 /nfs/dbraw/zinc/82/65/84/532826584.db2.gz ZWQZVRYAWPNYQJ-MRVPVSSYSA-N -1 1 381.267 2.170 20 0 GEADMM COCCOc1ccccc1S(=O)(=O)[N-]c1n[nH]c(C)c1Br ZINC000414474581 532830203 /nfs/dbraw/zinc/83/02/03/532830203.db2.gz YEOWUXNCIFAUAU-UHFFFAOYSA-N -1 1 390.259 2.307 20 0 GEADMM COc1cc(Br)c(S(=O)(=O)[N-]CC(F)(F)F)cc1OC ZINC000288546241 532831059 /nfs/dbraw/zinc/83/10/59/532831059.db2.gz IITVEIFGAWWLOZ-UHFFFAOYSA-N -1 1 378.166 2.307 20 0 GEADMM COc1ccc(NC(=O)N[C@H](C)c2nnc(C)s2)cc1[N-]S(C)(=O)=O ZINC000273902648 532836867 /nfs/dbraw/zinc/83/68/67/532836867.db2.gz SOGHHAMUOJLCLE-MRVPVSSYSA-N -1 1 385.471 2.109 20 0 GEADMM Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057116256 205153011 /nfs/dbraw/zinc/15/30/11/205153011.db2.gz ULEODZBPTSHXIQ-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000274250717 532845975 /nfs/dbraw/zinc/84/59/75/532845975.db2.gz ZGYQLSRIFPDEDQ-SSDOTTSWSA-N -1 1 381.159 2.161 20 0 GEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000274251766 532846072 /nfs/dbraw/zinc/84/60/72/532846072.db2.gz ZMBKORKSEJEIEO-RXMQYKEDSA-N -1 1 396.206 2.283 20 0 GEADMM O=C(CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)Nc1ccc(Cl)cn1 ZINC000289407328 532853858 /nfs/dbraw/zinc/85/38/58/532853858.db2.gz GMCAHHDLVXJUBC-SNVBAGLBSA-N -1 1 378.782 2.064 20 0 GEADMM O=C(CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)Nc1ccc(Cl)cn1 ZINC000289407326 532854033 /nfs/dbraw/zinc/85/40/33/532854033.db2.gz GMCAHHDLVXJUBC-JTQLQIEISA-N -1 1 378.782 2.064 20 0 GEADMM COC(=O)C1(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)CCCCC1 ZINC000289554377 532858689 /nfs/dbraw/zinc/85/86/89/532858689.db2.gz PBASULMRVCMSHA-UHFFFAOYSA-N -1 1 375.397 2.204 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)s1 ZINC000289620113 532861079 /nfs/dbraw/zinc/86/10/79/532861079.db2.gz SUVGVJYQRXHKOC-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000289648741 532861593 /nfs/dbraw/zinc/86/15/93/532861593.db2.gz XFUYEWCXUIHSNT-ZETCQYMHSA-N -1 1 385.314 2.334 20 0 GEADMM Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289716410 532864006 /nfs/dbraw/zinc/86/40/06/532864006.db2.gz XACACSGUUMDAOG-ZDUSSCGKSA-N -1 1 378.416 2.383 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000416212140 532867342 /nfs/dbraw/zinc/86/73/42/532867342.db2.gz YFTPNKMCABAANR-UHFFFAOYSA-N -1 1 394.225 2.166 20 0 GEADMM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cn1 ZINC000275287289 532871468 /nfs/dbraw/zinc/87/14/68/532871468.db2.gz LCFGGUJEUPJZMF-XHDPSFHLSA-N -1 1 375.372 2.036 20 0 GEADMM O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000275289029 532871608 /nfs/dbraw/zinc/87/16/08/532871608.db2.gz ULVNVKDOUJKZOF-QMMMGPOBSA-N -1 1 395.175 2.295 20 0 GEADMM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000275387617 532874504 /nfs/dbraw/zinc/87/45/04/532874504.db2.gz ZEXREYAWHUBXFC-QWRGUYRKSA-N -1 1 391.280 2.413 20 0 GEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000333965937 532876627 /nfs/dbraw/zinc/87/66/27/532876627.db2.gz QMRIOZTYERJTRP-OAHLLOKOSA-N -1 1 377.384 2.452 20 0 GEADMM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c(F)cc1Br ZINC000416438297 532877197 /nfs/dbraw/zinc/87/71/97/532877197.db2.gz JPWRHFZSXIQFQL-SSDOTTSWSA-N -1 1 394.184 2.488 20 0 GEADMM C[C@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)CCN1 ZINC000275572864 532878958 /nfs/dbraw/zinc/87/89/58/532878958.db2.gz ZEQUGOADWJSQNA-ZETCQYMHSA-N -1 1 378.064 2.351 20 0 GEADMM CO[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000290377888 532879632 /nfs/dbraw/zinc/87/96/32/532879632.db2.gz QNVXRORJCOUAJW-GFCCVEGCSA-N -1 1 383.297 2.059 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C(C)(C)C)nc1 ZINC000349516915 532882210 /nfs/dbraw/zinc/88/22/10/532882210.db2.gz DPMWWYDFWXVGCT-AWEZNQCLSA-N -1 1 391.559 2.218 20 0 GEADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCCCC2)c1 ZINC000349598673 532883221 /nfs/dbraw/zinc/88/32/21/532883221.db2.gz FUOVBLNCLVVYBC-UHFFFAOYSA-N -1 1 389.543 2.082 20 0 GEADMM CC1(C)CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349595155 532883506 /nfs/dbraw/zinc/88/35/06/532883506.db2.gz WXMLFWJDBIORJE-CQSZACIVSA-N -1 1 389.543 2.102 20 0 GEADMM COCC1=CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000290603902 532884871 /nfs/dbraw/zinc/88/48/71/532884871.db2.gz AXKYMYVGENGXOE-UHFFFAOYSA-N -1 1 393.292 2.077 20 0 GEADMM CC[C@H](CS(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1)OC ZINC000421138452 532888061 /nfs/dbraw/zinc/88/80/61/532888061.db2.gz BBGMEBIPHGFGOY-CYBMUJFWSA-N -1 1 385.511 2.300 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ncn(C)n1 ZINC000276269295 532892291 /nfs/dbraw/zinc/89/22/91/532892291.db2.gz UTQWECVQOZFALR-ZCFIWIBFSA-N -1 1 397.657 2.410 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@H](n2cccn2)C1 ZINC000291121361 532896373 /nfs/dbraw/zinc/89/63/73/532896373.db2.gz GARKPSYGCSWWKF-NSHDSACASA-N -1 1 383.189 2.281 20 0 GEADMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000276534454 532897209 /nfs/dbraw/zinc/89/72/09/532897209.db2.gz VIDLPHWGGNPMAI-ZCFIWIBFSA-N -1 1 387.658 2.045 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2csc(NC3CC3)n2)C1)C(F)(F)F ZINC000291161345 532897392 /nfs/dbraw/zinc/89/73/92/532897392.db2.gz QTTXCEUPYFKNMZ-VIFPVBQESA-N -1 1 376.404 2.248 20 0 GEADMM CSc1nc2nc(C)c(CC(=O)Nc3nc(Cl)ccc3[O-])c(C)n2n1 ZINC000276545090 532897838 /nfs/dbraw/zinc/89/78/38/532897838.db2.gz JLAQPOTYEQFEBR-UHFFFAOYSA-N -1 1 378.845 2.398 20 0 GEADMM CCc1nn(C)c(Cl)c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291206228 532898516 /nfs/dbraw/zinc/89/85/16/532898516.db2.gz VCWFRGNUPPVBRQ-SECBINFHSA-N -1 1 380.798 2.167 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000363342478 532898591 /nfs/dbraw/zinc/89/85/91/532898591.db2.gz CXGQQLUIDUOEBA-HNNXBMFYSA-N -1 1 397.269 2.008 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCOC[C@@]12CCOC2 ZINC000291742246 532908178 /nfs/dbraw/zinc/90/81/78/532908178.db2.gz SHSCZBOJIRAQJS-KRWDZBQOSA-N -1 1 393.237 2.334 20 0 GEADMM C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1n[nH]c(=S)s1 ZINC000365822146 532912260 /nfs/dbraw/zinc/91/22/60/532912260.db2.gz URTSHLIEGZLGGC-YPMHNXCESA-N -1 1 395.579 2.341 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)s1 ZINC000365839828 532912454 /nfs/dbraw/zinc/91/24/54/532912454.db2.gz SGYCVGAZXYTGAL-UHFFFAOYSA-N -1 1 382.398 2.260 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000366066608 532914184 /nfs/dbraw/zinc/91/41/84/532914184.db2.gz JFRHUYGSLQRSMS-SNVBAGLBSA-N -1 1 379.873 2.270 20 0 GEADMM C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366656333 532919869 /nfs/dbraw/zinc/91/98/69/532919869.db2.gz PTVRKCZMAHMGCX-GHMZBOCLSA-N -1 1 380.246 2.136 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000292951899 532920279 /nfs/dbraw/zinc/92/02/79/532920279.db2.gz CACMYSRHPZVSQV-JTQLQIEISA-N -1 1 383.779 2.104 20 0 GEADMM Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(Br)c1 ZINC000366732285 532920762 /nfs/dbraw/zinc/92/07/62/532920762.db2.gz MVEFCYXPWSDVNX-NWDGAFQWSA-N -1 1 394.273 2.444 20 0 GEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1cc(F)cc(Cl)c1 ZINC000366742499 532920897 /nfs/dbraw/zinc/92/08/97/532920897.db2.gz ZOLFWQBJDYFORW-ZDUSSCGKSA-N -1 1 375.830 2.286 20 0 GEADMM Cc1cc(C)cc([C@@H](O)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000293121364 532922551 /nfs/dbraw/zinc/92/25/51/532922551.db2.gz PGAXFEPXTQVTHZ-LBPRGKRZSA-N -1 1 377.388 2.068 20 0 GEADMM Cn1cc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c(C(F)(F)F)n1 ZINC000293169863 532922860 /nfs/dbraw/zinc/92/28/60/532922860.db2.gz YNIFBYYBAIHYEU-UHFFFAOYSA-N -1 1 393.372 2.029 20 0 GEADMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293358041 532925785 /nfs/dbraw/zinc/92/57/85/532925785.db2.gz FAPAWCIRSBOPPW-JTQLQIEISA-N -1 1 375.372 2.379 20 0 GEADMM CCc1nc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cs1 ZINC000368505707 532932946 /nfs/dbraw/zinc/93/29/46/532932946.db2.gz ZVMADYGQNOXMSA-CQSZACIVSA-N -1 1 380.836 2.459 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCCN(c2ncccn2)CC1 ZINC000369027781 532936637 /nfs/dbraw/zinc/93/66/37/532936637.db2.gz RAHHHIUDVFVPPV-UHFFFAOYSA-N -1 1 377.242 2.297 20 0 GEADMM COC[C@@]1(C)CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000294142676 532936072 /nfs/dbraw/zinc/93/60/72/532936072.db2.gz GNMVNVGHOIEGEH-AWEZNQCLSA-N -1 1 375.206 2.495 20 0 GEADMM O=C(COC[C@@H]1CCCO1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737915886 598834864 /nfs/dbraw/zinc/83/48/64/598834864.db2.gz JRKBHFQCDHCYOP-HNNXBMFYSA-N -1 1 399.476 2.407 20 0 GEADMM CC[C@H](Nc1ccccc1)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736367753 598844983 /nfs/dbraw/zinc/84/49/83/598844983.db2.gz CGKHEANERWPOEQ-AWEZNQCLSA-N -1 1 398.423 2.449 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)cc1 ZINC000738214996 598867629 /nfs/dbraw/zinc/86/76/29/598867629.db2.gz OZLWFUANVCERGZ-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)c(C(=O)[O-])c1 ZINC000737362494 598867727 /nfs/dbraw/zinc/86/77/27/598867727.db2.gz RCWPQSAXCLWKTP-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM C[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736201408 598873359 /nfs/dbraw/zinc/87/33/59/598873359.db2.gz DTAXDRCFAAKFSZ-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736201408 598873360 /nfs/dbraw/zinc/87/33/60/598873360.db2.gz DTAXDRCFAAKFSZ-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM Cc1ncsc1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737504240 598874435 /nfs/dbraw/zinc/87/44/35/598874435.db2.gz YMSFCLSFAUSZKJ-UHFFFAOYSA-N -1 1 384.874 2.106 20 0 GEADMM Cc1ncsc1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737504240 598874436 /nfs/dbraw/zinc/87/44/36/598874436.db2.gz YMSFCLSFAUSZKJ-UHFFFAOYSA-N -1 1 384.874 2.106 20 0 GEADMM CN(C1CC1)S(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736778445 598875581 /nfs/dbraw/zinc/87/55/81/598875581.db2.gz GPTFESPYUVKGGY-UHFFFAOYSA-N -1 1 390.494 2.024 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)NC[C@@H](O)C1CC1 ZINC000738111101 598907569 /nfs/dbraw/zinc/90/75/69/598907569.db2.gz HNHVAQAOBJBINX-CQSZACIVSA-N -1 1 384.465 2.165 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000737771007 598922634 /nfs/dbraw/zinc/92/26/34/598922634.db2.gz OOUDYYOHLLHDII-UHFFFAOYSA-N -1 1 379.355 2.052 20 0 GEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)c2)no1 ZINC000737463638 598932286 /nfs/dbraw/zinc/93/22/86/598932286.db2.gz XTNFCHJCDLYORG-UHFFFAOYSA-N -1 1 397.420 2.334 20 0 GEADMM CCc1ccccc1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736696197 598941094 /nfs/dbraw/zinc/94/10/94/598941094.db2.gz XTAFKHWDRNIXPH-UHFFFAOYSA-N -1 1 380.452 2.396 20 0 GEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000736950597 598946598 /nfs/dbraw/zinc/94/65/98/598946598.db2.gz JVWFFAGIESHDIE-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1C ZINC000735488309 598946715 /nfs/dbraw/zinc/94/67/15/598946715.db2.gz JJCHCYPWLMTRLW-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM CN(C[C@H]1COc2ccccc2O1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736793659 598954567 /nfs/dbraw/zinc/95/45/67/598954567.db2.gz YHRZLFMMYUQODL-LBPRGKRZSA-N -1 1 375.392 2.086 20 0 GEADMM CN(C[C@H]1COc2ccccc2O1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736793659 598954569 /nfs/dbraw/zinc/95/45/69/598954569.db2.gz YHRZLFMMYUQODL-LBPRGKRZSA-N -1 1 375.392 2.086 20 0 GEADMM COc1ccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)c(OC)c1 ZINC000737091708 598954597 /nfs/dbraw/zinc/95/45/97/598954597.db2.gz XPSJYRUVTYGDSE-UHFFFAOYSA-N -1 1 377.408 2.464 20 0 GEADMM COc1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)c(OC)c1 ZINC000737091708 598954599 /nfs/dbraw/zinc/95/45/99/598954599.db2.gz XPSJYRUVTYGDSE-UHFFFAOYSA-N -1 1 377.408 2.464 20 0 GEADMM COc1cc(OC)c(OC)cc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737050936 598955673 /nfs/dbraw/zinc/95/56/73/598955673.db2.gz HYIDXPMIBPRSKR-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM COc1cc(OC)c(OC)cc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737050936 598955675 /nfs/dbraw/zinc/95/56/75/598955675.db2.gz HYIDXPMIBPRSKR-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736665997 598960042 /nfs/dbraw/zinc/96/00/42/598960042.db2.gz XAPCZGJBDDOZPQ-UHFFFAOYSA-N -1 1 396.436 2.315 20 0 GEADMM CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736665997 598960044 /nfs/dbraw/zinc/96/00/44/598960044.db2.gz XAPCZGJBDDOZPQ-UHFFFAOYSA-N -1 1 396.436 2.315 20 0 GEADMM COCCOc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737014811 598962072 /nfs/dbraw/zinc/96/20/72/598962072.db2.gz RDPUXZHEWDGRTJ-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM COCCOc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737014811 598962073 /nfs/dbraw/zinc/96/20/73/598962073.db2.gz RDPUXZHEWDGRTJ-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cn1 ZINC000736531267 598968219 /nfs/dbraw/zinc/96/82/19/598968219.db2.gz DISAEODHJLVWGY-UHFFFAOYSA-N -1 1 387.469 2.217 20 0 GEADMM CCOc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OCC ZINC000736644226 598980362 /nfs/dbraw/zinc/98/03/62/598980362.db2.gz UGTYKPGSRXXQBZ-UHFFFAOYSA-N -1 1 382.424 2.032 20 0 GEADMM CCOc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OCC ZINC000736644226 598980364 /nfs/dbraw/zinc/98/03/64/598980364.db2.gz UGTYKPGSRXXQBZ-UHFFFAOYSA-N -1 1 382.424 2.032 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736117766 598987762 /nfs/dbraw/zinc/98/77/62/598987762.db2.gz GUNCNCZMMHRACF-LLVKDONJSA-N -1 1 377.408 2.101 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736117766 598987763 /nfs/dbraw/zinc/98/77/63/598987763.db2.gz GUNCNCZMMHRACF-LLVKDONJSA-N -1 1 377.408 2.101 20 0 GEADMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736204559 598987998 /nfs/dbraw/zinc/98/79/98/598987998.db2.gz ROXZDZNHYCMFCQ-ZDUSSCGKSA-N -1 1 397.870 2.434 20 0 GEADMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736204559 598988000 /nfs/dbraw/zinc/98/80/00/598988000.db2.gz ROXZDZNHYCMFCQ-ZDUSSCGKSA-N -1 1 397.870 2.434 20 0 GEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC[C@H]2CCCO2)c1 ZINC000737361122 598998060 /nfs/dbraw/zinc/99/80/60/598998060.db2.gz SXATVJJGWQNQKE-CQSZACIVSA-N -1 1 380.408 2.380 20 0 GEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC[C@H]2CCCO2)c1 ZINC000737361122 598998062 /nfs/dbraw/zinc/99/80/62/598998062.db2.gz SXATVJJGWQNQKE-CQSZACIVSA-N -1 1 380.408 2.380 20 0 GEADMM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738181905 599000895 /nfs/dbraw/zinc/00/08/95/599000895.db2.gz BNRRUTMDXOIRJG-UHFFFAOYSA-N -1 1 377.408 2.027 20 0 GEADMM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738181905 599000897 /nfs/dbraw/zinc/00/08/97/599000897.db2.gz BNRRUTMDXOIRJG-UHFFFAOYSA-N -1 1 377.408 2.027 20 0 GEADMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738010208 599001002 /nfs/dbraw/zinc/00/10/02/599001002.db2.gz CLWLROPMFUJDIC-UHFFFAOYSA-N -1 1 384.827 2.351 20 0 GEADMM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738010208 599001004 /nfs/dbraw/zinc/00/10/04/599001004.db2.gz CLWLROPMFUJDIC-UHFFFAOYSA-N -1 1 384.827 2.351 20 0 GEADMM O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738207320 599005138 /nfs/dbraw/zinc/00/51/38/599005138.db2.gz GWWGSIYYARKCHT-UHFFFAOYSA-N -1 1 382.384 2.095 20 0 GEADMM O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738207320 599005140 /nfs/dbraw/zinc/00/51/40/599005140.db2.gz GWWGSIYYARKCHT-UHFFFAOYSA-N -1 1 382.384 2.095 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H](C)C(C)(C)C ZINC000737488205 599007879 /nfs/dbraw/zinc/00/78/79/599007879.db2.gz RCCDGGZLAKQOKX-LLVKDONJSA-N -1 1 384.488 2.257 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H](C)C(C)(C)C ZINC000737488205 599007881 /nfs/dbraw/zinc/00/78/81/599007881.db2.gz RCCDGGZLAKQOKX-LLVKDONJSA-N -1 1 384.488 2.257 20 0 GEADMM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(-c5nnn[n-]5)nc4)n3)cn2)n1 ZINC000737257771 599010095 /nfs/dbraw/zinc/01/00/95/599010095.db2.gz XZDSRUNAFNWEBO-UHFFFAOYSA-N -1 1 386.379 2.176 20 0 GEADMM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(-c5nn[n-]n5)nc4)n3)cn2)n1 ZINC000737257771 599010096 /nfs/dbraw/zinc/01/00/96/599010096.db2.gz XZDSRUNAFNWEBO-UHFFFAOYSA-N -1 1 386.379 2.176 20 0 GEADMM O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738194531 599023273 /nfs/dbraw/zinc/02/32/73/599023273.db2.gz FAUOPRDUVZTCDQ-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738194531 599023274 /nfs/dbraw/zinc/02/32/74/599023274.db2.gz FAUOPRDUVZTCDQ-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000738259261 599023421 /nfs/dbraw/zinc/02/34/21/599023421.db2.gz PLURJGMFZOJRIB-CYBMUJFWSA-N -1 1 375.392 2.423 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000738259261 599023422 /nfs/dbraw/zinc/02/34/22/599023422.db2.gz PLURJGMFZOJRIB-CYBMUJFWSA-N -1 1 375.392 2.423 20 0 GEADMM O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738075806 599029159 /nfs/dbraw/zinc/02/91/59/599029159.db2.gz QZGSPWJYEGKDGB-UHFFFAOYSA-N -1 1 392.448 2.143 20 0 GEADMM O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738075806 599029160 /nfs/dbraw/zinc/02/91/60/599029160.db2.gz QZGSPWJYEGKDGB-UHFFFAOYSA-N -1 1 392.448 2.143 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737547899 599040394 /nfs/dbraw/zinc/04/03/94/599040394.db2.gz MJLRNNNHXWELBY-DFBGVHRSSA-N -1 1 382.424 2.102 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737547899 599040397 /nfs/dbraw/zinc/04/03/97/599040397.db2.gz MJLRNNNHXWELBY-DFBGVHRSSA-N -1 1 382.424 2.102 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1nccn1CC(C)C ZINC000737548361 599105516 /nfs/dbraw/zinc/10/55/16/599105516.db2.gz OYRINSSERJFKLF-UHFFFAOYSA-N -1 1 394.439 2.341 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1nccn1CC(C)C ZINC000737548361 599105518 /nfs/dbraw/zinc/10/55/18/599105518.db2.gz OYRINSSERJFKLF-UHFFFAOYSA-N -1 1 394.439 2.341 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736159920 599136167 /nfs/dbraw/zinc/13/61/67/599136167.db2.gz YVIAFJBURKFDHQ-QMMMGPOBSA-N -1 1 390.762 2.238 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736159920 599136170 /nfs/dbraw/zinc/13/61/70/599136170.db2.gz YVIAFJBURKFDHQ-QMMMGPOBSA-N -1 1 390.762 2.238 20 0 GEADMM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737247340 599137106 /nfs/dbraw/zinc/13/71/06/599137106.db2.gz VDSGZFWIUGOFCH-CYBMUJFWSA-N -1 1 380.408 2.371 20 0 GEADMM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737247340 599137108 /nfs/dbraw/zinc/13/71/08/599137108.db2.gz VDSGZFWIUGOFCH-CYBMUJFWSA-N -1 1 380.408 2.371 20 0 GEADMM COc1ccc(-c2cc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)on2)cc1 ZINC000737055572 599138715 /nfs/dbraw/zinc/13/87/15/599138715.db2.gz PHELRSHRVRKSBK-UHFFFAOYSA-N -1 1 378.348 2.282 20 0 GEADMM COc1ccc(-c2cc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)on2)cc1 ZINC000737055572 599138717 /nfs/dbraw/zinc/13/87/17/599138717.db2.gz PHELRSHRVRKSBK-UHFFFAOYSA-N -1 1 378.348 2.282 20 0 GEADMM CCC[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736430472 599140551 /nfs/dbraw/zinc/14/05/51/599140551.db2.gz KLYGUHHIXKJSJO-OAHLLOKOSA-N -1 1 380.408 2.076 20 0 GEADMM CCC[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736430472 599140552 /nfs/dbraw/zinc/14/05/52/599140552.db2.gz KLYGUHHIXKJSJO-OAHLLOKOSA-N -1 1 380.408 2.076 20 0 GEADMM Cc1ccc([C@H](C)C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000822227895 599141737 /nfs/dbraw/zinc/14/17/37/599141737.db2.gz ZNFDTOZMUMPFHS-LBPRGKRZSA-N -1 1 397.439 2.086 20 0 GEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237035 599151535 /nfs/dbraw/zinc/15/15/35/599151535.db2.gz NYNGDQNLMDRSJI-INWMFGNUSA-N -1 1 387.440 2.423 20 0 GEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237035 599151537 /nfs/dbraw/zinc/15/15/37/599151537.db2.gz NYNGDQNLMDRSJI-INWMFGNUSA-N -1 1 387.440 2.423 20 0 GEADMM Cc1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc(C2CC2)n1 ZINC000737272999 599169316 /nfs/dbraw/zinc/16/93/16/599169316.db2.gz XULRZFCEWHRNFS-UHFFFAOYSA-N -1 1 393.455 2.035 20 0 GEADMM O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738216317 599221441 /nfs/dbraw/zinc/22/14/41/599221441.db2.gz XUGNKRJRJHYFFE-UHFFFAOYSA-N -1 1 385.815 2.136 20 0 GEADMM O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738216317 599221443 /nfs/dbraw/zinc/22/14/43/599221443.db2.gz XUGNKRJRJHYFFE-UHFFFAOYSA-N -1 1 385.815 2.136 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000737486885 599225060 /nfs/dbraw/zinc/22/50/60/599225060.db2.gz GDFPQLUZVCUHIX-RHSMWYFYSA-N -1 1 394.483 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000737486885 599225063 /nfs/dbraw/zinc/22/50/63/599225063.db2.gz GDFPQLUZVCUHIX-RHSMWYFYSA-N -1 1 394.483 2.250 20 0 GEADMM O=C(O[C@H]1CCNC1=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823396727 607262440 /nfs/dbraw/zinc/26/24/40/607262440.db2.gz MOAFXGCFIKBZGQ-AWEZNQCLSA-N -1 1 399.794 2.358 20 0 GEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[nH]n1 ZINC000819957948 599232367 /nfs/dbraw/zinc/23/23/67/599232367.db2.gz FHFHNUBGYMGYQS-UHFFFAOYSA-N -1 1 381.849 2.342 20 0 GEADMM O=C([O-])C[C@@H]1CCCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000819357501 597058429 /nfs/dbraw/zinc/05/84/29/597058429.db2.gz ATDPVVFUNCMVQQ-SFHVURJKSA-N -1 1 388.512 2.095 20 0 GEADMM Cc1cc(CN2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)no1 ZINC000737261940 599259412 /nfs/dbraw/zinc/25/94/12/599259412.db2.gz ILKFRGZIEDYHCC-UHFFFAOYSA-N -1 1 376.424 2.034 20 0 GEADMM CCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821448364 607313040 /nfs/dbraw/zinc/31/30/40/607313040.db2.gz NJDRJFXMCBFCBD-UHFFFAOYSA-N -1 1 394.482 2.311 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@@H](CO)C1 ZINC000823493939 607315498 /nfs/dbraw/zinc/31/54/98/607315498.db2.gz WLHJPIROKHZDAF-CYBMUJFWSA-N -1 1 398.492 2.385 20 0 GEADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000822699201 607305684 /nfs/dbraw/zinc/30/56/84/607305684.db2.gz RYAKYFBUYRBRIH-FZKQIMNGSA-N -1 1 390.451 2.098 20 0 GEADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000822699201 607305685 /nfs/dbraw/zinc/30/56/85/607305685.db2.gz RYAKYFBUYRBRIH-FZKQIMNGSA-N -1 1 390.451 2.098 20 0 GEADMM CC(C)[C@@H](NC(=O)CN1CC[C@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262641280 597530487 /nfs/dbraw/zinc/53/04/87/597530487.db2.gz JALUEUICSFZYFE-HNAYVOBHSA-N -1 1 376.453 2.068 20 0 GEADMM O=C([O-])[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000263574948 600232943 /nfs/dbraw/zinc/23/29/43/600232943.db2.gz OFCOXIZZODJHDG-IRXDYDNUSA-N -1 1 379.888 2.142 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000821474786 598173235 /nfs/dbraw/zinc/17/32/35/598173235.db2.gz MLMJJPFTQYTLSW-SFHVURJKSA-N -1 1 381.432 2.277 20 0 GEADMM Cc1noc2ncc(NC(=O)CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)cc12 ZINC000737201442 598231985 /nfs/dbraw/zinc/23/19/85/598231985.db2.gz SEAYVSZVUYOESK-UHFFFAOYSA-N -1 1 394.395 2.000 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C(C)(C)C ZINC000737488828 598234382 /nfs/dbraw/zinc/23/43/82/598234382.db2.gz YBXGUWQAKJFWGK-INIZCTEOSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C(C)(C)C ZINC000737488828 598234383 /nfs/dbraw/zinc/23/43/83/598234383.db2.gz YBXGUWQAKJFWGK-INIZCTEOSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1cccc2c1CCN(C(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)C2 ZINC000737409012 598235214 /nfs/dbraw/zinc/23/52/14/598235214.db2.gz LUCJEQNWWMFGSA-UHFFFAOYSA-N -1 1 392.463 2.410 20 0 GEADMM O[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)COc1ccc(F)c(F)c1 ZINC000738387898 598245246 /nfs/dbraw/zinc/24/52/46/598245246.db2.gz QCANPRPPEWZLIF-ZCFIWIBFSA-N -1 1 388.787 2.107 20 0 GEADMM O[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)COc1ccc(F)c(F)c1 ZINC000738387898 598245248 /nfs/dbraw/zinc/24/52/48/598245248.db2.gz QCANPRPPEWZLIF-ZCFIWIBFSA-N -1 1 388.787 2.107 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCc3c2cccc3C)cc1-c1nn[n-]n1 ZINC000737188104 598260247 /nfs/dbraw/zinc/26/02/47/598260247.db2.gz YURGYWIZZCDYDI-AWEZNQCLSA-N -1 1 382.449 2.415 20 0 GEADMM C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736201223 598263520 /nfs/dbraw/zinc/26/35/20/598263520.db2.gz WECWMAZRDVZFNQ-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736201223 598263522 /nfs/dbraw/zinc/26/35/22/598263522.db2.gz WECWMAZRDVZFNQ-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000738353757 598268504 /nfs/dbraw/zinc/26/85/04/598268504.db2.gz GPFQITIYTOJDLO-KRWDZBQOSA-N -1 1 382.449 2.102 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000738353757 598268506 /nfs/dbraw/zinc/26/85/06/598268506.db2.gz GPFQITIYTOJDLO-KRWDZBQOSA-N -1 1 382.449 2.102 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738355257 598301249 /nfs/dbraw/zinc/30/12/49/598301249.db2.gz MCEPKINUSGKYBV-OAHLLOKOSA-N -1 1 384.465 2.048 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738355257 598301250 /nfs/dbraw/zinc/30/12/50/598301250.db2.gz MCEPKINUSGKYBV-OAHLLOKOSA-N -1 1 384.465 2.048 20 0 GEADMM Cc1ccn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c1-c1nn[n-]n1 ZINC000822369381 607349879 /nfs/dbraw/zinc/34/98/79/607349879.db2.gz HWUNFKHBODJBRG-UHFFFAOYSA-N -1 1 379.207 2.282 20 0 GEADMM COC(=O)c1sc2ccccc2c1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000736956985 598363678 /nfs/dbraw/zinc/36/36/78/598363678.db2.gz LRVBKHHMJMLNDF-UHFFFAOYSA-N -1 1 396.432 2.090 20 0 GEADMM Cc1ccccc1COc1cccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737428923 598371854 /nfs/dbraw/zinc/37/18/54/598371854.db2.gz XYTOZMKVPSCQQT-UHFFFAOYSA-N -1 1 389.419 2.416 20 0 GEADMM O=C(NCCn1cccn1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738094142 598409559 /nfs/dbraw/zinc/40/95/59/598409559.db2.gz BXRAXWGGTXKQFF-UHFFFAOYSA-N -1 1 393.382 2.425 20 0 GEADMM O=C(NCCn1cccn1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738094142 598409561 /nfs/dbraw/zinc/40/95/61/598409561.db2.gz BXRAXWGGTXKQFF-UHFFFAOYSA-N -1 1 393.382 2.425 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCc3ccc(C)cc32)cc1-c1nn[n-]n1 ZINC000737187727 598410571 /nfs/dbraw/zinc/41/05/71/598410571.db2.gz SIVXLILJBDOGMK-AWEZNQCLSA-N -1 1 382.449 2.415 20 0 GEADMM CN(C)C(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736745937 598411623 /nfs/dbraw/zinc/41/16/23/598411623.db2.gz DFNUWCNEUHFHTM-UHFFFAOYSA-N -1 1 385.355 2.043 20 0 GEADMM CN(C)C(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736745937 598411624 /nfs/dbraw/zinc/41/16/24/598411624.db2.gz DFNUWCNEUHFHTM-UHFFFAOYSA-N -1 1 385.355 2.043 20 0 GEADMM CO[C@@](C)(C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000736956665 598411824 /nfs/dbraw/zinc/41/18/24/598411824.db2.gz HUTOITNFAIKANV-LJQANCHMSA-N -1 1 399.407 2.120 20 0 GEADMM CCN(C)C(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736510051 598411920 /nfs/dbraw/zinc/41/19/20/598411920.db2.gz OWHALTOJUJXQOO-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM CCN(C)C(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736510051 598411922 /nfs/dbraw/zinc/41/19/22/598411922.db2.gz OWHALTOJUJXQOO-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)Nc2ccc(Cl)nc2)o1 ZINC000735851060 598416195 /nfs/dbraw/zinc/41/61/95/598416195.db2.gz KRFXOCJJAQKIJT-UHFFFAOYSA-N -1 1 393.864 2.415 20 0 GEADMM COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(C)c1 ZINC000737103635 598418551 /nfs/dbraw/zinc/41/85/51/598418551.db2.gz RNKKOHSROROUES-UHFFFAOYSA-N -1 1 382.424 2.472 20 0 GEADMM C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000736113077 598502292 /nfs/dbraw/zinc/50/22/92/598502292.db2.gz WPRACWFMGJTMHQ-GFCCVEGCSA-N -1 1 392.394 2.198 20 0 GEADMM COc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c(OC)c1 ZINC000737065948 598502739 /nfs/dbraw/zinc/50/27/39/598502739.db2.gz KHWGUKHUFNFOQM-UHFFFAOYSA-N -1 1 391.387 2.082 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCc1cccc(Cl)c1 ZINC000737981973 598503610 /nfs/dbraw/zinc/50/36/10/598503610.db2.gz LJPUPYDJNLPKMN-UHFFFAOYSA-N -1 1 394.822 2.151 20 0 GEADMM COC(=O)c1cccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000736947117 598504155 /nfs/dbraw/zinc/50/41/55/598504155.db2.gz BBWCQWPDOPOYAR-UHFFFAOYSA-N -1 1 391.387 2.047 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(-c3cccs3)no2)c2ccccc12 ZINC000738372388 598504677 /nfs/dbraw/zinc/50/46/77/598504677.db2.gz PDPITDPPRAERQW-UHFFFAOYSA-N -1 1 377.389 2.341 20 0 GEADMM CC(C)(C)OC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000735634284 598515895 /nfs/dbraw/zinc/51/58/95/598515895.db2.gz YBVAOZKZDPMQFI-UHFFFAOYSA-N -1 1 387.400 2.172 20 0 GEADMM COC(=O)c1ccc(OCCNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000736949858 598537621 /nfs/dbraw/zinc/53/76/21/598537621.db2.gz UQPZROPAWZTZOO-UHFFFAOYSA-N -1 1 380.817 2.254 20 0 GEADMM COC(=O)c1ccc(OCCNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000736949858 598537623 /nfs/dbraw/zinc/53/76/23/598537623.db2.gz UQPZROPAWZTZOO-UHFFFAOYSA-N -1 1 380.817 2.254 20 0 GEADMM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736565728 598543322 /nfs/dbraw/zinc/54/33/22/598543322.db2.gz OZGLEZNTMKEGKW-HNNXBMFYSA-N -1 1 395.814 2.149 20 0 GEADMM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736565728 598543324 /nfs/dbraw/zinc/54/33/24/598543324.db2.gz OZGLEZNTMKEGKW-HNNXBMFYSA-N -1 1 395.814 2.149 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738355295 598570990 /nfs/dbraw/zinc/57/09/90/598570990.db2.gz NXCGSYGKBNMRIQ-UHFFFAOYSA-N -1 1 394.819 2.196 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2c(Cl)ccc(F)c21 ZINC000738355295 598570991 /nfs/dbraw/zinc/57/09/91/598570991.db2.gz NXCGSYGKBNMRIQ-UHFFFAOYSA-N -1 1 394.819 2.196 20 0 GEADMM CCc1nn(Cc2ncc(-c3ccc(F)cc3)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707880 598639987 /nfs/dbraw/zinc/63/99/87/598639987.db2.gz VOYOXNORVGVFSA-UHFFFAOYSA-N -1 1 395.398 2.391 20 0 GEADMM CCc1nn(CCCOCCc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705806 598641929 /nfs/dbraw/zinc/64/19/29/598641929.db2.gz PEOCSPMHNVINHA-UHFFFAOYSA-N -1 1 382.468 2.198 20 0 GEADMM COc1ccc2c(c1)CN([C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC2 ZINC000821849612 607364354 /nfs/dbraw/zinc/36/43/54/607364354.db2.gz NDKGAWQARLCGLL-GFCCVEGCSA-N -1 1 396.451 2.470 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)/C=C\C2CCOCC2)c1-c1nn[n-]n1 ZINC000737504397 598758998 /nfs/dbraw/zinc/75/89/98/598758998.db2.gz WUSYONBKZDAZLO-FPLPWBNLSA-N -1 1 394.435 2.387 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737552397 598787952 /nfs/dbraw/zinc/78/79/52/598787952.db2.gz OYEHTCQMZFVQKK-AWEZNQCLSA-N -1 1 381.392 2.288 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000737486306 598809836 /nfs/dbraw/zinc/80/98/36/598809836.db2.gz CZXLUXAEJHPABY-NVGCLXPQSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000737486306 598809837 /nfs/dbraw/zinc/80/98/37/598809837.db2.gz CZXLUXAEJHPABY-NVGCLXPQSA-N -1 1 396.499 2.400 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000820438662 599321800 /nfs/dbraw/zinc/32/18/00/599321800.db2.gz UIKFQXYKWXPSSB-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC(OCC2CC2)CC1 ZINC000823600421 599328366 /nfs/dbraw/zinc/32/83/66/599328366.db2.gz HRBPPALJBWUICM-UHFFFAOYSA-N -1 1 397.888 2.100 20 0 GEADMM CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736819443 599333686 /nfs/dbraw/zinc/33/36/86/599333686.db2.gz LWJPOIKVOYFXGC-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM COc1ccc([C@@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821778045 599335473 /nfs/dbraw/zinc/33/54/73/599335473.db2.gz SLVJSVGWBFFYDW-LLVKDONJSA-N -1 1 391.428 2.396 20 0 GEADMM COc1ccc([C@@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821778045 599335477 /nfs/dbraw/zinc/33/54/77/599335477.db2.gz SLVJSVGWBFFYDW-LLVKDONJSA-N -1 1 391.428 2.396 20 0 GEADMM C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820570369 599339926 /nfs/dbraw/zinc/33/99/26/599339926.db2.gz ILRVYSNUBHYXFI-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000822351813 599343343 /nfs/dbraw/zinc/34/33/43/599343343.db2.gz REGZQNKIIIMNQN-CYBMUJFWSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000822351813 599343346 /nfs/dbraw/zinc/34/33/46/599343346.db2.gz REGZQNKIIIMNQN-CYBMUJFWSA-N -1 1 387.440 2.492 20 0 GEADMM C[C@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820825700 599345104 /nfs/dbraw/zinc/34/51/04/599345104.db2.gz BJUWCCWGWCMXFK-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM C[C@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820825700 599345106 /nfs/dbraw/zinc/34/51/06/599345106.db2.gz BJUWCCWGWCMXFK-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)c1ccccc1 ZINC000820925603 599347367 /nfs/dbraw/zinc/34/73/67/599347367.db2.gz KERAXRRKEZDMCS-MRXNPFEDSA-N -1 1 386.481 2.296 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)c1ccccc1 ZINC000820925603 599347370 /nfs/dbraw/zinc/34/73/70/599347370.db2.gz KERAXRRKEZDMCS-MRXNPFEDSA-N -1 1 386.481 2.296 20 0 GEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000822299681 599348025 /nfs/dbraw/zinc/34/80/25/599348025.db2.gz QWWWWRSBYGDWLD-QGZVFWFLSA-N -1 1 384.465 2.404 20 0 GEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000822299681 599348027 /nfs/dbraw/zinc/34/80/27/599348027.db2.gz QWWWWRSBYGDWLD-QGZVFWFLSA-N -1 1 384.465 2.404 20 0 GEADMM CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821449932 599376339 /nfs/dbraw/zinc/37/63/39/599376339.db2.gz YQIFZXHGGDAPQU-WDEREUQCSA-N -1 1 385.490 2.301 20 0 GEADMM CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821449932 599376342 /nfs/dbraw/zinc/37/63/42/599376342.db2.gz YQIFZXHGGDAPQU-WDEREUQCSA-N -1 1 385.490 2.301 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000737189412 599386264 /nfs/dbraw/zinc/38/62/64/599386264.db2.gz MFYDPKUFQOHKPI-NSHDSACASA-N -1 1 390.513 2.388 20 0 GEADMM O=C(c1ccc(F)cc1Cl)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738269830 599423029 /nfs/dbraw/zinc/42/30/29/599423029.db2.gz YOGDZKWFJUKSGY-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM O=C(c1ccc(F)cc1Cl)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738269830 599423033 /nfs/dbraw/zinc/42/30/33/599423033.db2.gz YOGDZKWFJUKSGY-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979636 599448831 /nfs/dbraw/zinc/44/88/31/599448831.db2.gz UOVZWQSMXXJVLV-ACJLOTCBSA-N -1 1 382.449 2.149 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824104691 607380583 /nfs/dbraw/zinc/38/05/83/607380583.db2.gz WRZJCYAIBACOKO-GOSISDBHSA-N -1 1 388.428 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824104691 607380585 /nfs/dbraw/zinc/38/05/85/607380585.db2.gz WRZJCYAIBACOKO-GOSISDBHSA-N -1 1 388.428 2.095 20 0 GEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736058001 599479734 /nfs/dbraw/zinc/47/97/34/599479734.db2.gz YLONUWZXXDTZBA-LLVKDONJSA-N -1 1 392.872 2.167 20 0 GEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736058001 599479736 /nfs/dbraw/zinc/47/97/36/599479736.db2.gz YLONUWZXXDTZBA-LLVKDONJSA-N -1 1 392.872 2.167 20 0 GEADMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC000820225519 607381316 /nfs/dbraw/zinc/38/13/16/607381316.db2.gz KIJLGEKYFWVLDF-ZDUSSCGKSA-N -1 1 393.455 2.086 20 0 GEADMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC000820225519 607381318 /nfs/dbraw/zinc/38/13/18/607381318.db2.gz KIJLGEKYFWVLDF-ZDUSSCGKSA-N -1 1 393.455 2.086 20 0 GEADMM Cc1cc(C)n(C[C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)n1 ZINC000822198780 599538777 /nfs/dbraw/zinc/53/87/77/599538777.db2.gz KEIHIVIEBSEDGF-HNNXBMFYSA-N -1 1 390.451 2.134 20 0 GEADMM Cc1cc(C)n(C[C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)n1 ZINC000822198780 599538780 /nfs/dbraw/zinc/53/87/80/599538780.db2.gz KEIHIVIEBSEDGF-HNNXBMFYSA-N -1 1 390.451 2.134 20 0 GEADMM CCO[C@H]1C[C@H](O)C12CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821360333 599570916 /nfs/dbraw/zinc/57/09/16/599570916.db2.gz QSVBKWLLTVRXPC-ROUUACIJSA-N -1 1 380.452 2.171 20 0 GEADMM CCO[C@H]1C[C@H](O)C12CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821360333 599570917 /nfs/dbraw/zinc/57/09/17/599570917.db2.gz QSVBKWLLTVRXPC-ROUUACIJSA-N -1 1 380.452 2.171 20 0 GEADMM FC(F)(F)c1cnc(OCCNc2nccnc2-c2nnn[n-]2)c(Cl)c1 ZINC000822729273 599584462 /nfs/dbraw/zinc/58/44/62/599584462.db2.gz ZNEKUNYBSDPXLQ-UHFFFAOYSA-N -1 1 386.725 2.215 20 0 GEADMM FC(F)(F)c1cnc(OCCNc2nccnc2-c2nn[n-]n2)c(Cl)c1 ZINC000822729273 599584465 /nfs/dbraw/zinc/58/44/65/599584465.db2.gz ZNEKUNYBSDPXLQ-UHFFFAOYSA-N -1 1 386.725 2.215 20 0 GEADMM CN(Cc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736828901 599593899 /nfs/dbraw/zinc/59/38/99/599593899.db2.gz SQDWPPIGAQUUGZ-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CCO[C@H]1C[C@@H](OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000736612509 599618510 /nfs/dbraw/zinc/61/85/10/599618510.db2.gz PFVRLGVKQNUDMW-UONOGXRCSA-N -1 1 389.456 2.264 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCOc1cccnc1 ZINC000822542069 599625064 /nfs/dbraw/zinc/62/50/64/599625064.db2.gz ULWUSSGCEOXKNT-UHFFFAOYSA-N -1 1 380.364 2.190 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCOc1cccnc1 ZINC000822542069 599625065 /nfs/dbraw/zinc/62/50/65/599625065.db2.gz ULWUSSGCEOXKNT-UHFFFAOYSA-N -1 1 380.364 2.190 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819939392 599626713 /nfs/dbraw/zinc/62/67/13/599626713.db2.gz AOWHDQBQQFWXPL-FZMZJTMJSA-N -1 1 388.428 2.112 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819939392 599626714 /nfs/dbraw/zinc/62/67/14/599626714.db2.gz AOWHDQBQQFWXPL-FZMZJTMJSA-N -1 1 388.428 2.112 20 0 GEADMM CCCCOC(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821071475 599650943 /nfs/dbraw/zinc/65/09/43/599650943.db2.gz FXFQAJDUZNONJN-GFCCVEGCSA-N -1 1 387.396 2.447 20 0 GEADMM CCCCOC(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821071475 599650944 /nfs/dbraw/zinc/65/09/44/599650944.db2.gz FXFQAJDUZNONJN-GFCCVEGCSA-N -1 1 387.396 2.447 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)o1 ZINC000740175713 599776076 /nfs/dbraw/zinc/77/60/76/599776076.db2.gz WHLRCQAOTVAMEJ-LBPRGKRZSA-N -1 1 384.479 2.230 20 0 GEADMM C[C@H](OC(=O)c1ccccc1C(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000736698446 599788746 /nfs/dbraw/zinc/78/87/46/599788746.db2.gz PYFHTLPELOBJLE-DOTOQJQBSA-N -1 1 396.443 2.321 20 0 GEADMM CCOc1cccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000737213199 599815560 /nfs/dbraw/zinc/81/55/60/599815560.db2.gz NCXJUNXMVBTXFD-UHFFFAOYSA-N -1 1 385.419 2.432 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c(C(=O)[O-])s1 ZINC000737681836 599816021 /nfs/dbraw/zinc/81/60/21/599816021.db2.gz VPZDSJLMCJXYMX-UHFFFAOYSA-N -1 1 397.430 2.359 20 0 GEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736631540 599823624 /nfs/dbraw/zinc/82/36/24/599823624.db2.gz BHOVVQNFVNHHHV-SUMWQHHRSA-N -1 1 380.464 2.047 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC000736653234 599884114 /nfs/dbraw/zinc/88/41/14/599884114.db2.gz WPJIDODHTSSPJG-GFCCVEGCSA-N -1 1 397.387 2.002 20 0 GEADMM O=C([O-])CSCCNC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000739858904 599903613 /nfs/dbraw/zinc/90/36/13/599903613.db2.gz YQEOYDFNXAPZRK-UHFFFAOYSA-N -1 1 387.505 2.485 20 0 GEADMM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000477399455 599907096 /nfs/dbraw/zinc/90/70/96/599907096.db2.gz PUANVKZQXADMAQ-UHFFFAOYSA-N -1 1 378.406 2.461 20 0 GEADMM CCOc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1OCC(=O)[O-] ZINC000737187536 599929585 /nfs/dbraw/zinc/92/95/85/599929585.db2.gz WLPIUWBYVJXMRQ-UHFFFAOYSA-N -1 1 376.453 2.249 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 ZINC000301314744 599930795 /nfs/dbraw/zinc/93/07/95/599930795.db2.gz CKXAXPYQBUAQCR-UHFFFAOYSA-N -1 1 376.478 2.446 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)CC(=O)Nc3ccccc3C(=O)[O-])C2)nn1 ZINC000738279960 599957238 /nfs/dbraw/zinc/95/72/38/599957238.db2.gz XEWHENZBYDKQRJ-OAHLLOKOSA-N -1 1 383.452 2.023 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)nn1 ZINC000738278346 599957371 /nfs/dbraw/zinc/95/73/71/599957371.db2.gz MJUDSZGQKWKYCC-QGZVFWFLSA-N -1 1 383.452 2.023 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736443064 600021697 /nfs/dbraw/zinc/02/16/97/600021697.db2.gz MPXWFSYIKWVOIU-QGZVFWFLSA-N -1 1 395.525 2.483 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737525268 600044015 /nfs/dbraw/zinc/04/40/15/600044015.db2.gz DPNOSNMKXGVPPC-OAQYLSRUSA-N -1 1 395.503 2.422 20 0 GEADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(C)c(C(=O)[O-])s3)cc2C[C@H]1C ZINC000736142696 600054245 /nfs/dbraw/zinc/05/42/45/600054245.db2.gz PVYDXYXCCNIPET-MRVPVSSYSA-N -1 1 395.462 2.248 20 0 GEADMM COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000066586102 600098725 /nfs/dbraw/zinc/09/87/25/600098725.db2.gz GKIOADBYUYEVQJ-UHFFFAOYSA-N -1 1 399.396 2.115 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000738276831 600103654 /nfs/dbraw/zinc/10/36/54/600103654.db2.gz ARIATRKUXSCJKP-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM Cc1ccc([C@H](CN2CCOCC2)NCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738262011 600120122 /nfs/dbraw/zinc/12/01/22/600120122.db2.gz RTAFORHTURUQQM-FQEVSTJZSA-N -1 1 397.475 2.295 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262683761 600132210 /nfs/dbraw/zinc/13/22/10/600132210.db2.gz UHUGAFRVNQIEJJ-GOEBONIOSA-N -1 1 375.469 2.292 20 0 GEADMM CCC[C@@](C)(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)[O-] ZINC000736960127 600153826 /nfs/dbraw/zinc/15/38/26/600153826.db2.gz LDHDFOQJZCTYIS-LJQANCHMSA-N -1 1 399.894 2.356 20 0 GEADMM Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C(=O)[O-])cc1 ZINC000738567510 600155803 /nfs/dbraw/zinc/15/58/03/600155803.db2.gz ONHQFLJUNBDWSR-HNNXBMFYSA-N -1 1 397.456 2.129 20 0 GEADMM CCC[C@](C)(NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000736965505 600156500 /nfs/dbraw/zinc/15/65/00/600156500.db2.gz VIMYRQQUKJNJTG-MDOVXXIYSA-N -1 1 377.485 2.472 20 0 GEADMM CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737339340 600196202 /nfs/dbraw/zinc/19/62/02/600196202.db2.gz WVQRCXZICGKXJM-OAHLLOKOSA-N -1 1 383.429 2.120 20 0 GEADMM CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737370389 600228655 /nfs/dbraw/zinc/22/86/55/600228655.db2.gz PZMJIQKGZDLVOC-UHFFFAOYSA-N -1 1 394.468 2.418 20 0 GEADMM O=C([O-])[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000263574949 600229776 /nfs/dbraw/zinc/22/97/76/600229776.db2.gz OFCOXIZZODJHDG-SJORKVTESA-N -1 1 379.888 2.142 20 0 GEADMM O=C([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000390533759 600235047 /nfs/dbraw/zinc/23/50/47/600235047.db2.gz JNNMIMGPTFHOSD-LJQANCHMSA-N -1 1 388.489 2.469 20 0 GEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCC1(c3ccccc3)CCOCC1)CC2 ZINC000739277831 600288475 /nfs/dbraw/zinc/28/84/75/600288475.db2.gz IDURCHFCLFKJRN-SFHVURJKSA-N -1 1 386.492 2.038 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738049953 600292916 /nfs/dbraw/zinc/29/29/16/600292916.db2.gz VLVCYWKFQSHYJN-BBRMVZONSA-N -1 1 376.453 2.068 20 0 GEADMM CCN(CCC(=O)N(C)CC(=O)[O-])Cc1cc(Br)ccc1F ZINC000737093205 600294772 /nfs/dbraw/zinc/29/47/72/600294772.db2.gz CHXNWPHZLDTJIU-UHFFFAOYSA-N -1 1 375.238 2.343 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000739402526 600297672 /nfs/dbraw/zinc/29/76/72/600297672.db2.gz DCPRIPMJAQBSIJ-GOSISDBHSA-N -1 1 399.422 2.416 20 0 GEADMM O=C([O-])c1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1F ZINC000739405873 600298464 /nfs/dbraw/zinc/29/84/64/600298464.db2.gz VWOUVETYELHJCT-SFHVURJKSA-N -1 1 399.422 2.416 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000422539693 600304569 /nfs/dbraw/zinc/30/45/69/600304569.db2.gz HQYUBIFTXDGFES-MRXNPFEDSA-N -1 1 399.422 2.243 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000422539692 600304705 /nfs/dbraw/zinc/30/47/05/600304705.db2.gz HQYUBIFTXDGFES-INIZCTEOSA-N -1 1 399.422 2.243 20 0 GEADMM O=C([O-])NCc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000739984476 600310852 /nfs/dbraw/zinc/31/08/52/600310852.db2.gz GAXUXSKHZJWERM-UHFFFAOYSA-N -1 1 381.392 2.089 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736724038 600312536 /nfs/dbraw/zinc/31/25/36/600312536.db2.gz JQMBPPQRXCWNJG-CJNGLKHVSA-N -1 1 399.422 2.414 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3C[C@@H]4CCCCN4C[C@H]3C)nc(=O)c12 ZINC000738293158 600321504 /nfs/dbraw/zinc/32/15/04/600321504.db2.gz YCLFILITEKPBRD-PWSUYJOCSA-N -1 1 376.482 2.050 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)N(C)C)c1 ZINC000738093004 600341565 /nfs/dbraw/zinc/34/15/65/600341565.db2.gz UGIYREMRNFGCEK-IRXDYDNUSA-N -1 1 375.469 2.194 20 0 GEADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccccc1I ZINC000037596091 600394815 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397.416 2.107 20 0 GEADMM COC(=O)c1cc(NS(=O)(=O)c2cnc(Cl)c(C)c2)ccc1C(=O)[O-] ZINC000831327399 600689364 /nfs/dbraw/zinc/68/93/64/600689364.db2.gz LAJYDUSFZWPXRI-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000827949229 600751545 /nfs/dbraw/zinc/75/15/45/600751545.db2.gz JDHQABABNLSJMA-ZDUSSCGKSA-N -1 1 377.466 2.217 20 0 GEADMM Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1C(=O)[O-] ZINC000832957956 600783115 /nfs/dbraw/zinc/78/31/15/600783115.db2.gz WASCVLAYZHEVMD-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM Cc1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1C(=O)[O-] ZINC000832957956 600783117 /nfs/dbraw/zinc/78/31/17/600783117.db2.gz WASCVLAYZHEVMD-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000830857078 600786400 /nfs/dbraw/zinc/78/64/00/600786400.db2.gz SAOWNBRCMDRSEW-OAHLLOKOSA-N -1 1 380.491 2.341 20 0 GEADMM O=C([O-])c1ccsc1N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)C1=O ZINC000833335967 600793423 /nfs/dbraw/zinc/79/34/23/600793423.db2.gz HNMLNGZJVPJEGF-GOSISDBHSA-N -1 1 399.516 2.412 20 0 GEADMM Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000298837313 600809977 /nfs/dbraw/zinc/80/99/77/600809977.db2.gz DBOVYUUWVOZLMJ-UHFFFAOYSA-N -1 1 379.438 2.427 20 0 GEADMM CSc1cc2c(cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)OCCO2 ZINC000509592497 600814569 /nfs/dbraw/zinc/81/45/69/600814569.db2.gz AMBLKHKWQDUOIG-UHFFFAOYSA-N -1 1 384.435 2.017 20 0 GEADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000609447357 600816446 /nfs/dbraw/zinc/81/64/46/600816446.db2.gz MUFAPJFIFGSZFK-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM C[C@@H](O)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1C ZINC000827803537 600825948 /nfs/dbraw/zinc/82/59/48/600825948.db2.gz NJSABMPLQQDRCB-UONOGXRCSA-N -1 1 375.494 2.395 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1C(=O)[O-] ZINC000833055581 600828534 /nfs/dbraw/zinc/82/85/34/600828534.db2.gz ZOCGALJNSACYEA-UHFFFAOYSA-N -1 1 396.425 2.266 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000830581109 600864241 /nfs/dbraw/zinc/86/42/41/600864241.db2.gz LREOQMZEBCPUNW-SFHVURJKSA-N -1 1 397.475 2.406 20 0 GEADMM CCc1ccc([C@@H](CNC(=O)C(=O)Nc2sccc2C(=O)[O-])N(C)C)cc1 ZINC000830237898 600865623 /nfs/dbraw/zinc/86/56/23/600865623.db2.gz NMEAQQFMOTXQJN-OAHLLOKOSA-N -1 1 389.477 2.366 20 0 GEADMM O=C([O-])[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000462648135 600867685 /nfs/dbraw/zinc/86/76/85/600867685.db2.gz RHNVGZICFQDEQC-NSHDSACASA-N -1 1 399.188 2.247 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)C(=O)Nc1sccc1C(=O)[O-])c1ccco1 ZINC000829666871 600882945 /nfs/dbraw/zinc/88/29/45/600882945.db2.gz UVAUMDYPJHDHMU-LBPRGKRZSA-N -1 1 379.438 2.177 20 0 GEADMM CC[C@@H]1CN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CCN1C[C@H](C)O ZINC000829141882 600902593 /nfs/dbraw/zinc/90/25/93/600902593.db2.gz PYXWFUXSDFUCAX-RRFJBIMHSA-N -1 1 380.510 2.169 20 0 GEADMM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1OC ZINC000737854248 600931413 /nfs/dbraw/zinc/93/14/13/600931413.db2.gz FSUGLLWSLLAQND-UHFFFAOYSA-N -1 1 399.407 2.395 20 0 GEADMM CN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830954806 600961229 /nfs/dbraw/zinc/96/12/29/600961229.db2.gz LNBSSFAESYMECM-HXUWFJFHSA-N -1 1 381.476 2.332 20 0 GEADMM O=C([O-])C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000833216339 600969659 /nfs/dbraw/zinc/96/96/59/600969659.db2.gz LPUSTJVTMMIITN-KRWDZBQOSA-N -1 1 394.475 2.199 20 0 GEADMM COC(=O)c1cc(NC(=O)CN2CCCC3(CCOCC3)C2)cc(C(=O)[O-])c1 ZINC000737668794 600973737 /nfs/dbraw/zinc/97/37/37/600973737.db2.gz XKIZWDZKRNEOGQ-UHFFFAOYSA-N -1 1 390.436 2.003 20 0 GEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCC2(CCOCC2)C1 ZINC000739285376 600973830 /nfs/dbraw/zinc/97/38/30/600973830.db2.gz GJMJTQYTEWKFNZ-LJQANCHMSA-N -1 1 399.491 2.172 20 0 GEADMM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cn1 ZINC000833275021 600981887 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601924691 /nfs/dbraw/zinc/92/46/91/601924691.db2.gz YBRLKCICPWQIRH-RCCFBDPRSA-N -1 1 387.480 2.103 20 0 GEADMM O=C(CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000740370490 601924695 /nfs/dbraw/zinc/92/46/95/601924695.db2.gz YBRLKCICPWQIRH-RCCFBDPRSA-N -1 1 387.480 2.103 20 0 GEADMM COc1cc(-c2nnc(CN3CC[C@@](C)(C(=O)[O-])C3)o2)cc(OC)c1OC ZINC000831856753 601928910 /nfs/dbraw/zinc/92/89/10/601928910.db2.gz OJUFPJHIOCZXPT-GOSISDBHSA-N -1 1 377.397 2.059 20 0 GEADMM CCOC(=O)c1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000739477532 601933612 /nfs/dbraw/zinc/93/36/12/601933612.db2.gz DQVYFMITRCIKHV-UHFFFAOYSA-N -1 1 389.452 2.409 20 0 GEADMM O=C([O-])NC[C@H]1CCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000740642100 601938415 /nfs/dbraw/zinc/93/84/15/601938415.db2.gz LFLREGHJQYFLLF-OAHLLOKOSA-N -1 1 377.460 2.343 20 0 GEADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000825705067 607535020 /nfs/dbraw/zinc/53/50/20/607535020.db2.gz VNJBKMVNPKYPIA-UHFFFAOYSA-N -1 1 387.421 2.237 20 0 GEADMM C[C@@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000738962558 601956992 /nfs/dbraw/zinc/95/69/92/601956992.db2.gz SMCHURNXOODTFH-VXGBXAGGSA-N -1 1 384.274 2.216 20 0 GEADMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486729 607536816 /nfs/dbraw/zinc/53/68/16/607536816.db2.gz OHPCASJKNILFSY-UHFFFAOYSA-N -1 1 383.355 2.396 20 0 GEADMM O=S(=O)(Cc1cccc(C(F)(F)F)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486729 607536817 /nfs/dbraw/zinc/53/68/17/607536817.db2.gz OHPCASJKNILFSY-UHFFFAOYSA-N -1 1 383.355 2.396 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398088359 601988713 /nfs/dbraw/zinc/98/87/13/601988713.db2.gz IQCYBHZLOAUFKS-HNAYVOBHSA-N -1 1 388.489 2.467 20 0 GEADMM C[C@H]1CCc2c(sc3ncn(Cc4ccnc(-c5nnn[n-]5)c4)c(=O)c23)C1 ZINC000824966386 607538654 /nfs/dbraw/zinc/53/86/54/607538654.db2.gz AJPKMPQWMRBWEL-JTQLQIEISA-N -1 1 379.449 2.206 20 0 GEADMM C[C@H]1CCc2c(sc3ncn(Cc4ccnc(-c5nn[n-]n5)c4)c(=O)c23)C1 ZINC000824966386 607538656 /nfs/dbraw/zinc/53/86/56/607538656.db2.gz AJPKMPQWMRBWEL-JTQLQIEISA-N -1 1 379.449 2.206 20 0 GEADMM COc1ccc(-c2nnc(SCc3ccnc(-c4nnn[n-]4)c3)n2C)cc1 ZINC000826181545 607538976 /nfs/dbraw/zinc/53/89/76/607538976.db2.gz DDJCHZCCTOUGKU-UHFFFAOYSA-N -1 1 380.437 2.358 20 0 GEADMM COc1ccc(-c2nnc(SCc3ccnc(-c4nn[n-]n4)c3)n2C)cc1 ZINC000826181545 607538977 /nfs/dbraw/zinc/53/89/77/607538977.db2.gz DDJCHZCCTOUGKU-UHFFFAOYSA-N -1 1 380.437 2.358 20 0 GEADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN(C)Cc1cc(Cl)cn1C ZINC000831917072 602016934 /nfs/dbraw/zinc/01/69/34/602016934.db2.gz DCKMNVHCSISTQA-OAHLLOKOSA-N -1 1 382.844 2.257 20 0 GEADMM Cn1c(COc2ccccc2)nnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826355867 607539566 /nfs/dbraw/zinc/53/95/66/607539566.db2.gz QEUDWGUAUDDYCW-UHFFFAOYSA-N -1 1 380.437 2.262 20 0 GEADMM Cn1c(COc2ccccc2)nnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826355867 607539567 /nfs/dbraw/zinc/53/95/67/607539567.db2.gz QEUDWGUAUDDYCW-UHFFFAOYSA-N -1 1 380.437 2.262 20 0 GEADMM COCC(=O)NC1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000831541492 602034458 /nfs/dbraw/zinc/03/44/58/602034458.db2.gz XRVJUKQJANMPCU-OAHLLOKOSA-N -1 1 375.252 2.346 20 0 GEADMM CN(Cc1cn(C)nc1C(F)(F)F)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825992448 607541226 /nfs/dbraw/zinc/54/12/26/607541226.db2.gz XDTICGABVOHQKA-UHFFFAOYSA-N -1 1 378.771 2.365 20 0 GEADMM CN(Cc1cn(C)nc1C(F)(F)F)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825992448 607541228 /nfs/dbraw/zinc/54/12/28/607541228.db2.gz XDTICGABVOHQKA-UHFFFAOYSA-N -1 1 378.771 2.365 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](CNC(=O)[O-])C1)N1CCCC1 ZINC000739958432 602062084 /nfs/dbraw/zinc/06/20/84/602062084.db2.gz LMWMHFLEWOPPCR-DOTOQJQBSA-N -1 1 390.484 2.131 20 0 GEADMM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000827646573 602066349 /nfs/dbraw/zinc/06/63/49/602066349.db2.gz TZCZYVYQCQYWDT-XOBRGWDASA-N -1 1 392.475 2.145 20 0 GEADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000829961318 602079429 /nfs/dbraw/zinc/07/94/29/602079429.db2.gz QOLIIQVTDBGUSO-AWEZNQCLSA-N -1 1 396.241 2.401 20 0 GEADMM CN1CCN(C[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2)CC1 ZINC000737525122 602102177 /nfs/dbraw/zinc/10/21/77/602102177.db2.gz ADJKGMQFWWTFNF-IBGZPJMESA-N -1 1 382.464 2.495 20 0 GEADMM C[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738973927 602103172 /nfs/dbraw/zinc/10/31/72/602103172.db2.gz GCLWHAIDBXGMMW-NVXWUHKLSA-N -1 1 389.500 2.124 20 0 GEADMM C[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738973929 602103344 /nfs/dbraw/zinc/10/33/44/602103344.db2.gz GCLWHAIDBXGMMW-RDJZCZTQSA-N -1 1 389.500 2.124 20 0 GEADMM CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC000830237786 602117351 /nfs/dbraw/zinc/11/73/51/602117351.db2.gz MVCJJYXBEQTPDJ-IBGZPJMESA-N -1 1 397.475 2.234 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000738619861 602128260 /nfs/dbraw/zinc/12/82/60/602128260.db2.gz DIAIPGMKHCHQHB-LJQANCHMSA-N -1 1 395.459 2.033 20 0 GEADMM CN1CCO[C@@H]2CN(c3cc(C(=O)[O-])nc4ccc(Br)cc43)C[C@@H]21 ZINC000830963253 602137757 /nfs/dbraw/zinc/13/77/57/602137757.db2.gz AOMXHLVYOVRHHL-JKSUJKDBSA-N -1 1 392.253 2.215 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])c1OC ZINC000739943720 602266237 /nfs/dbraw/zinc/26/62/37/602266237.db2.gz ALKAMRUVDFUSAE-GOEBONIOSA-N -1 1 393.484 2.173 20 0 GEADMM C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000736634915 602271975 /nfs/dbraw/zinc/27/19/75/602271975.db2.gz BJSZLXIWPZFFNM-AWEZNQCLSA-N -1 1 380.464 2.145 20 0 GEADMM Nc1nsc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)n1 ZINC000833090865 602328747 /nfs/dbraw/zinc/32/87/47/602328747.db2.gz KADLDESSUWOIPQ-UHFFFAOYSA-N -1 1 375.479 2.355 20 0 GEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2cnc(C3CC3)s2)cc1 ZINC000833263772 602341665 /nfs/dbraw/zinc/34/16/65/602341665.db2.gz SMHWGXVXSFSYND-UHFFFAOYSA-N -1 1 380.491 2.310 20 0 GEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000740517908 602382521 /nfs/dbraw/zinc/38/25/21/602382521.db2.gz PYDLEGWQLBIVQM-LSDHHAIUSA-N -1 1 392.481 2.005 20 0 GEADMM CN(C[C@@H]1CCCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739638157 602398958 /nfs/dbraw/zinc/39/89/58/602398958.db2.gz VBDGVFNFQGXDKH-MAUKXSAKSA-N -1 1 393.459 2.047 20 0 GEADMM CCN(CCNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000739430378 602439397 /nfs/dbraw/zinc/43/93/97/602439397.db2.gz DRLDCFOXPXCNAZ-IYBDPMFKSA-N -1 1 392.500 2.095 20 0 GEADMM CCOc1ccc(CN(C)C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000739502095 602447650 /nfs/dbraw/zinc/44/76/50/602447650.db2.gz MTXWUMWRAUHJQK-HNNXBMFYSA-N -1 1 377.485 2.412 20 0 GEADMM Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740162175 602451428 /nfs/dbraw/zinc/45/14/28/602451428.db2.gz HYDCFJJOHBGHCE-SFHVURJKSA-N -1 1 388.512 2.250 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CC1 ZINC000739016044 602460328 /nfs/dbraw/zinc/46/03/28/602460328.db2.gz NJUMQFUJHSSFOA-VIFPVBQESA-N -1 1 376.438 2.132 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCCCN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739186020 602498918 /nfs/dbraw/zinc/49/89/18/602498918.db2.gz CPMADVYNSIWUTH-GPMSIDNRSA-N -1 1 389.496 2.445 20 0 GEADMM COc1ccc(CN(C(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739901255 602538476 /nfs/dbraw/zinc/53/84/76/602538476.db2.gz CUHUUJIOLOZBPC-MRXNPFEDSA-N -1 1 375.469 2.118 20 0 GEADMM C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824406969 607572949 /nfs/dbraw/zinc/57/29/49/607572949.db2.gz UBQPSXAWHCVFBF-LBPRGKRZSA-N -1 1 375.429 2.305 20 0 GEADMM C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824406969 607572951 /nfs/dbraw/zinc/57/29/51/607572951.db2.gz UBQPSXAWHCVFBF-LBPRGKRZSA-N -1 1 375.429 2.305 20 0 GEADMM O=C([O-])N1CC[C@@H](NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000740401876 602579935 /nfs/dbraw/zinc/57/99/35/602579935.db2.gz VKESZNHEJGLFHA-MRXNPFEDSA-N -1 1 380.876 2.356 20 0 GEADMM O=Cc1cccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000826484235 607574303 /nfs/dbraw/zinc/57/43/03/607574303.db2.gz TZHUCLJLGFEWKT-UHFFFAOYSA-N -1 1 398.322 2.466 20 0 GEADMM CN1CCN(c2cc(CNC(=O)Nc3ccc(NC(=O)[O-])cc3)ccn2)CC1 ZINC000739736404 602601749 /nfs/dbraw/zinc/60/17/49/602601749.db2.gz NCCKJPPRJLCDIW-UHFFFAOYSA-N -1 1 384.440 2.245 20 0 GEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739188480 602615241 /nfs/dbraw/zinc/61/52/41/602615241.db2.gz YDRYCDFLURTXJW-OAGGEKHMSA-N -1 1 392.500 2.093 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc(Cl)cc2C=O)c1-c1nn[n-]n1 ZINC000826304544 607576346 /nfs/dbraw/zinc/57/63/46/607576346.db2.gz OYYXEEURSOWQHD-UHFFFAOYSA-N -1 1 378.797 2.409 20 0 GEADMM CCCN(C(=O)NC1CCN(Cc2ccncc2)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344155 602620277 /nfs/dbraw/zinc/62/02/77/602620277.db2.gz CYMHYGBTRMXULZ-SFHVURJKSA-N -1 1 389.500 2.220 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826189398 607580233 /nfs/dbraw/zinc/58/02/33/607580233.db2.gz UWAGAUNQABMSIS-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826189398 607580235 /nfs/dbraw/zinc/58/02/35/607580235.db2.gz UWAGAUNQABMSIS-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826190209 607580369 /nfs/dbraw/zinc/58/03/69/607580369.db2.gz UCFAGWBKCALMLO-LLVKDONJSA-N -1 1 391.428 2.362 20 0 GEADMM COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826190209 607580370 /nfs/dbraw/zinc/58/03/70/607580370.db2.gz UCFAGWBKCALMLO-LLVKDONJSA-N -1 1 391.428 2.362 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000739010287 602703079 /nfs/dbraw/zinc/70/30/79/602703079.db2.gz XZFJHWJEWBGCRT-OAHLLOKOSA-N -1 1 389.500 2.124 20 0 GEADMM CCc1nn(C)c(Cl)c1CN1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739560793 602706548 /nfs/dbraw/zinc/70/65/48/602706548.db2.gz UFJAZQVDMJFTOE-AWEZNQCLSA-N -1 1 383.924 2.144 20 0 GEADMM O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488767 607582937 /nfs/dbraw/zinc/58/29/37/607582937.db2.gz YSFSBLIAWWWFFG-BDAKNGLRSA-N -1 1 393.366 2.405 20 0 GEADMM O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488767 607582938 /nfs/dbraw/zinc/58/29/38/607582938.db2.gz YSFSBLIAWWWFFG-BDAKNGLRSA-N -1 1 393.366 2.405 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1F ZINC000826203543 607584050 /nfs/dbraw/zinc/58/40/50/607584050.db2.gz USKDRVMHYXGMFM-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1F ZINC000826203543 607584051 /nfs/dbraw/zinc/58/40/51/607584051.db2.gz USKDRVMHYXGMFM-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H](NC(=O)[O-])C(C)C ZINC000740080767 602793431 /nfs/dbraw/zinc/79/34/31/602793431.db2.gz RZWUZGVPYJCBBN-KRWDZBQOSA-N -1 1 377.489 2.161 20 0 GEADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739129563 602818618 /nfs/dbraw/zinc/81/86/18/602818618.db2.gz CEPXCAMFAQWNGM-KDOFPFPSSA-N -1 1 392.475 2.478 20 0 GEADMM CCOc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000825649565 607590354 /nfs/dbraw/zinc/59/03/54/607590354.db2.gz SCESYMMWSNXQPI-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM CCOc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000825649565 607590356 /nfs/dbraw/zinc/59/03/56/607590356.db2.gz SCESYMMWSNXQPI-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM O=C([O-])N1CCC(N(Cn2cc(I)cn2)C2CC2)CC1 ZINC000740509001 602858105 /nfs/dbraw/zinc/85/81/05/602858105.db2.gz WNIJMGOZWQJJAL-UHFFFAOYSA-N -1 1 390.225 2.052 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2cccc(Cl)c21 ZINC000826495332 607591742 /nfs/dbraw/zinc/59/17/42/607591742.db2.gz LVVLCIRPEDXCDF-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739457280 602879851 /nfs/dbraw/zinc/87/98/51/602879851.db2.gz RCWSXGUJFOSHQG-INIZCTEOSA-N -1 1 389.500 2.483 20 0 GEADMM COc1cccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826214379 607593906 /nfs/dbraw/zinc/59/39/06/607593906.db2.gz JYFQBXFKRLDGCL-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM COc1cccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826214379 607593908 /nfs/dbraw/zinc/59/39/08/607593908.db2.gz JYFQBXFKRLDGCL-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CCN1CCOC ZINC000739279870 602997392 /nfs/dbraw/zinc/99/73/92/602997392.db2.gz OXFFTVDXFQPOGN-CQSZACIVSA-N -1 1 380.445 2.360 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)NC(=O)[O-] ZINC000739958282 603000583 /nfs/dbraw/zinc/00/05/83/603000583.db2.gz LCCIDMXPXACCCD-ZOBUZTSGSA-N -1 1 390.484 2.272 20 0 GEADMM CCn1c(=O)c2ccc(-c3nc([C@H](C)CN(C)C(=O)[O-])no3)cc2[nH]c1=S ZINC000739564341 603014218 /nfs/dbraw/zinc/01/42/18/603014218.db2.gz PJWOYGPAHHUTEL-SECBINFHSA-N -1 1 389.437 2.468 20 0 GEADMM O=S(=O)(NCc1c(F)cccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491996 607600905 /nfs/dbraw/zinc/60/09/05/607600905.db2.gz NFMWVZPQLXKFIE-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=S(=O)(NCc1c(F)cccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491996 607600907 /nfs/dbraw/zinc/60/09/07/607600907.db2.gz NFMWVZPQLXKFIE-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=S(=O)(NCc1cccc2cccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492008 607601071 /nfs/dbraw/zinc/60/10/71/607601071.db2.gz NSOMIRMYTGGHSO-UHFFFAOYSA-N -1 1 384.396 2.033 20 0 GEADMM O=S(=O)(NCc1cccc2cccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492008 607601072 /nfs/dbraw/zinc/60/10/72/607601072.db2.gz NSOMIRMYTGGHSO-UHFFFAOYSA-N -1 1 384.396 2.033 20 0 GEADMM C[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824400182 607602980 /nfs/dbraw/zinc/60/29/80/607602980.db2.gz BQTQENUBCGSGGD-GFCCVEGCSA-N -1 1 375.429 2.478 20 0 GEADMM C[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824400182 607602982 /nfs/dbraw/zinc/60/29/82/607602982.db2.gz BQTQENUBCGSGGD-GFCCVEGCSA-N -1 1 375.429 2.478 20 0 GEADMM C[C@H]1CN(Cn2ccc(=O)c3cccc(Br)c32)CCN1C(=O)[O-] ZINC000739192627 603053717 /nfs/dbraw/zinc/05/37/17/603053717.db2.gz RSUQMVBYVLUUCV-NSHDSACASA-N -1 1 380.242 2.406 20 0 GEADMM CCc1nnc([C@H]2CN(C(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827619739 603075750 /nfs/dbraw/zinc/07/57/50/603075750.db2.gz AGTQIXJJRQSJIF-HUUCEWRRSA-N -1 1 387.440 2.056 20 0 GEADMM Cc1csc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826320211 607607387 /nfs/dbraw/zinc/60/73/87/607607387.db2.gz JOSXSTRBWXOWDH-QMMMGPOBSA-N -1 1 384.874 2.325 20 0 GEADMM Cc1csc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826320211 607607389 /nfs/dbraw/zinc/60/73/89/607607389.db2.gz JOSXSTRBWXOWDH-QMMMGPOBSA-N -1 1 384.874 2.325 20 0 GEADMM CN(C)[C@@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1cccc(F)c1 ZINC000739603076 603107893 /nfs/dbraw/zinc/10/78/93/603107893.db2.gz SECWQWRHTXNNLF-SFHVURJKSA-N -1 1 385.439 2.350 20 0 GEADMM Cc1cc(Br)c(N)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826256403 607607747 /nfs/dbraw/zinc/60/77/47/607607747.db2.gz IAQZVAXQTRYSSY-UHFFFAOYSA-N -1 1 389.213 2.272 20 0 GEADMM Cc1cc(Br)c(N)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826256403 607607749 /nfs/dbraw/zinc/60/77/49/607607749.db2.gz IAQZVAXQTRYSSY-UHFFFAOYSA-N -1 1 389.213 2.272 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000826467468 607609856 /nfs/dbraw/zinc/60/98/56/607609856.db2.gz XOASFAMLHFOWJQ-SFHVURJKSA-N -1 1 378.436 2.360 20 0 GEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739456140 603205248 /nfs/dbraw/zinc/20/52/48/603205248.db2.gz MJVFCZLUQXFJQU-ZDUSSCGKSA-N -1 1 380.876 2.420 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1c(F)cccc1F ZINC000826467512 607614462 /nfs/dbraw/zinc/61/44/62/607614462.db2.gz ZPHKUPKZXNBYLB-UHFFFAOYSA-N -1 1 383.318 2.287 20 0 GEADMM Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826339043 607615301 /nfs/dbraw/zinc/61/53/01/607615301.db2.gz PERAOZFPGUZDEC-QMMMGPOBSA-N -1 1 382.833 2.164 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000828745089 603241802 /nfs/dbraw/zinc/24/18/02/603241802.db2.gz WVSJQFAFPYBOFG-UHFFFAOYSA-N -1 1 385.785 2.412 20 0 GEADMM CC(C)N(CCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000738912220 603274354 /nfs/dbraw/zinc/27/43/54/603274354.db2.gz OKJPVANOODRPPG-QGZVFWFLSA-N -1 1 376.501 2.092 20 0 GEADMM C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738909072 603274579 /nfs/dbraw/zinc/27/45/79/603274579.db2.gz DCLIECDBDBVMIG-KRWDZBQOSA-N -1 1 388.512 2.093 20 0 GEADMM Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1NC(=O)[O-] ZINC000830219349 603278115 /nfs/dbraw/zinc/27/81/15/603278115.db2.gz CSKRDDXWUBIDAD-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)c1 ZINC000740170873 603303924 /nfs/dbraw/zinc/30/39/24/603303924.db2.gz LQKMBHXBHKUVJN-KRWDZBQOSA-N -1 1 389.496 2.297 20 0 GEADMM CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)N1CCN(C)CC1 ZINC000738788773 603312608 /nfs/dbraw/zinc/31/26/08/603312608.db2.gz GECKEPBARHRQQD-MRXNPFEDSA-N -1 1 382.892 2.432 20 0 GEADMM C[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823662968 603340725 /nfs/dbraw/zinc/34/07/25/603340725.db2.gz QGALIXRIZYOPTO-VQIMIIECSA-N -1 1 389.496 2.202 20 0 GEADMM CN(CCCNC(=O)[O-])C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000739677945 603375064 /nfs/dbraw/zinc/37/50/64/603375064.db2.gz KVVDQWGTPUTOMO-UHFFFAOYSA-N -1 1 384.521 2.099 20 0 GEADMM C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824707586 607630900 /nfs/dbraw/zinc/63/09/00/607630900.db2.gz TVHFLFMYLYSXNS-LLVKDONJSA-N -1 1 399.904 2.224 20 0 GEADMM CCN(CC1CCN([C@@H](C)C(=O)NCc2ccccc2OC)CC1)C(=O)[O-] ZINC000827089540 603503059 /nfs/dbraw/zinc/50/30/59/603503059.db2.gz KWDMWGPCELMQJT-HNNXBMFYSA-N -1 1 377.485 2.412 20 0 GEADMM C[C@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677416 603508336 /nfs/dbraw/zinc/50/83/36/603508336.db2.gz KRIWBZPPFMWJQX-VBNZEHGJSA-N -1 1 380.408 2.050 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cn1C ZINC000828761381 603527683 /nfs/dbraw/zinc/52/76/83/603527683.db2.gz RTOQCFKLAKTVED-UHFFFAOYSA-N -1 1 393.421 2.043 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000826395604 607635092 /nfs/dbraw/zinc/63/50/92/607635092.db2.gz KSBDQEFQUJNYNF-UHFFFAOYSA-N -1 1 390.338 2.281 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)n[nH]2)cc1OC ZINC000829234742 603539441 /nfs/dbraw/zinc/53/94/41/603539441.db2.gz SEIRCTKQYXOCII-TXEJJXNPSA-N -1 1 388.424 2.307 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)n[nH]2)cc1OC ZINC000829234794 603542316 /nfs/dbraw/zinc/54/23/16/603542316.db2.gz UVFNXBFKYMMSCH-YPMHNXCESA-N -1 1 388.424 2.212 20 0 GEADMM O=C([O-])N1CC(CC(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)C1 ZINC000831368950 603570393 /nfs/dbraw/zinc/57/03/93/603570393.db2.gz AGFADAIXTUBJRV-UHFFFAOYSA-N -1 1 389.433 2.426 20 0 GEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000824195985 603622481 /nfs/dbraw/zinc/62/24/81/603622481.db2.gz GENGAZKXSXQTME-KRWDZBQOSA-N -1 1 377.489 2.028 20 0 GEADMM C[C@@H](NC(=O)[C@@H](C)N(C)CC(C)(C)CNC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000825077418 603624357 /nfs/dbraw/zinc/62/43/57/603624357.db2.gz YUKGXFKGDRHWGE-ZIAGYGMSSA-N -1 1 393.484 2.249 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711849 603627611 /nfs/dbraw/zinc/62/76/11/603627611.db2.gz FCCMJMYWXDCBTJ-HNNXBMFYSA-N -1 1 392.500 2.076 20 0 GEADMM O=S(=O)(NCCc1cc2ccccc2o1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491569 607641015 /nfs/dbraw/zinc/64/10/15/607641015.db2.gz PPFHZMURSOBCII-UHFFFAOYSA-N -1 1 387.396 2.273 20 0 GEADMM O=S(=O)(NCCc1cc2ccccc2o1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491569 607641017 /nfs/dbraw/zinc/64/10/17/607641017.db2.gz PPFHZMURSOBCII-UHFFFAOYSA-N -1 1 387.396 2.273 20 0 GEADMM COC(=O)C=Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000828646319 603631192 /nfs/dbraw/zinc/63/11/92/603631192.db2.gz HOAOFGBHSUGKQK-RUDMXATFSA-N -1 1 377.378 2.159 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]2CCCO[C@H]21 ZINC000824788996 607646267 /nfs/dbraw/zinc/64/62/67/607646267.db2.gz FDOBAADZUAEILD-CUOATXAZSA-N -1 1 397.888 2.002 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]2CCCO[C@H]21 ZINC000824788996 607646268 /nfs/dbraw/zinc/64/62/68/607646268.db2.gz FDOBAADZUAEILD-CUOATXAZSA-N -1 1 397.888 2.002 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])c1OC ZINC000829556170 603718870 /nfs/dbraw/zinc/71/88/70/603718870.db2.gz JXWGGGAWDCFYIB-ZBFHGGJFSA-N -1 1 393.484 2.030 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262591 603741955 /nfs/dbraw/zinc/74/19/55/603741955.db2.gz UUHHBHLCAUMTGI-JYJNAYRXSA-N -1 1 378.473 2.460 20 0 GEADMM Cc1ccc(O[C@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826292153 607650909 /nfs/dbraw/zinc/65/09/09/607650909.db2.gz KHOSRNTXUBOJNK-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Sc1ccccc1 ZINC000824428087 607652401 /nfs/dbraw/zinc/65/24/01/607652401.db2.gz PSXAEWQLWJRLLF-LLVKDONJSA-N -1 1 393.469 2.465 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Sc1ccccc1 ZINC000824428087 607652402 /nfs/dbraw/zinc/65/24/02/607652402.db2.gz PSXAEWQLWJRLLF-LLVKDONJSA-N -1 1 393.469 2.465 20 0 GEADMM COC(=O)c1ccc2c(c1)nc(CN(C)C1CCC(NC(=O)[O-])CC1)[nH]c2=O ZINC000828793718 603836934 /nfs/dbraw/zinc/83/69/34/603836934.db2.gz KQXMXNWQESNOED-UHFFFAOYSA-N -1 1 388.424 2.133 20 0 GEADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824429819 607655519 /nfs/dbraw/zinc/65/55/19/607655519.db2.gz YVFKDIJYKQNEIM-SECBINFHSA-N -1 1 397.382 2.366 20 0 GEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[C@H](C)O1 ZINC000826050276 603862127 /nfs/dbraw/zinc/86/21/27/603862127.db2.gz VFGHHNGQZWJRII-VIFLUARRSA-N -1 1 393.528 2.398 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829543596 603864973 /nfs/dbraw/zinc/86/49/73/603864973.db2.gz NHFMBNCEJHVUND-PXNSSMCTSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@@]3(C)CCN(C(=O)[O-])C3)CC2)cc1 ZINC000829363594 603872494 /nfs/dbraw/zinc/87/24/94/603872494.db2.gz WQPWOTMWMJVACS-FQEVSTJZSA-N -1 1 375.469 2.120 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@]3(C)CCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826059727 603879595 /nfs/dbraw/zinc/87/95/95/603879595.db2.gz ZDHRBZDXOUVVDI-MRUHUIDDSA-N -1 1 389.496 2.302 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000824640320 607658575 /nfs/dbraw/zinc/65/85/75/607658575.db2.gz GISPJOBYCKHYFJ-NEPJUHHUSA-N -1 1 375.429 2.476 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000824640320 607658577 /nfs/dbraw/zinc/65/85/77/607658577.db2.gz GISPJOBYCKHYFJ-NEPJUHHUSA-N -1 1 375.429 2.476 20 0 GEADMM CCO[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCC1 ZINC000825576297 607658810 /nfs/dbraw/zinc/65/88/10/607658810.db2.gz DHDVKGAEIYBBQH-AWEZNQCLSA-N -1 1 397.476 2.270 20 0 GEADMM CCO[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCC1 ZINC000825576297 607658812 /nfs/dbraw/zinc/65/88/12/607658812.db2.gz DHDVKGAEIYBBQH-AWEZNQCLSA-N -1 1 397.476 2.270 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)n1 ZINC000832729957 603913193 /nfs/dbraw/zinc/91/31/93/603913193.db2.gz MBYCGCWGFXUORM-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4n[nH]cc4c3)cc2)n[nH]1 ZINC000832729957 603913197 /nfs/dbraw/zinc/91/31/97/603913197.db2.gz MBYCGCWGFXUORM-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1cccc2c1CCN2C(=O)[O-])N1CCN(C)CC1 ZINC000824123015 603991132 /nfs/dbraw/zinc/99/11/32/603991132.db2.gz MCQMAGUNBQADBL-SFHVURJKSA-N -1 1 389.500 2.121 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](NC(=O)[O-])[C@@H](C)CC ZINC000827419027 604014281 /nfs/dbraw/zinc/01/42/81/604014281.db2.gz WIZHFGXIJUMLLF-KBXCAEBGSA-N -1 1 392.500 2.458 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](NC(=O)[O-])[C@@H](C)CC ZINC000827419030 604014777 /nfs/dbraw/zinc/01/47/77/604014777.db2.gz WIZHFGXIJUMLLF-KSSFIOAISA-N -1 1 392.500 2.458 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827418805 604015142 /nfs/dbraw/zinc/01/51/42/604015142.db2.gz SDLXCWKSOKLHIM-HUUCEWRRSA-N -1 1 390.484 2.212 20 0 GEADMM CCOc1cccnc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000827465317 604114628 /nfs/dbraw/zinc/11/46/28/604114628.db2.gz LIWGPTGKHSBQCN-UHFFFAOYSA-N -1 1 382.380 2.285 20 0 GEADMM CCOc1cccnc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000827465317 604114632 /nfs/dbraw/zinc/11/46/32/604114632.db2.gz LIWGPTGKHSBQCN-UHFFFAOYSA-N -1 1 382.380 2.285 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000825218261 604120497 /nfs/dbraw/zinc/12/04/97/604120497.db2.gz JJTBXQNGRWAOSA-RDJZCZTQSA-N -1 1 389.500 2.124 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000825256297 604163820 /nfs/dbraw/zinc/16/38/20/604163820.db2.gz WEUHJRGMNNBMSC-HUUCEWRRSA-N -1 1 381.448 2.031 20 0 GEADMM Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830493646 604189143 /nfs/dbraw/zinc/18/91/43/604189143.db2.gz QWRTUPDKLJNEED-IRXDYDNUSA-N -1 1 377.485 2.167 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000825256158 604254860 /nfs/dbraw/zinc/25/48/60/604254860.db2.gz UUXJAIKRWYEUTQ-KBPBESRZSA-N -1 1 383.876 2.203 20 0 GEADMM O=C([O-])CCc1csc(NC(=O)CCN2CCN(c3ccccc3)CC2)n1 ZINC000833237753 604344794 /nfs/dbraw/zinc/34/47/94/604344794.db2.gz LCGGSYPOSONEMF-UHFFFAOYSA-N -1 1 388.493 2.311 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3cccc4c3CCN4C(=O)[O-])CCO2)n[nH]1 ZINC000827622115 604349270 /nfs/dbraw/zinc/34/92/70/604349270.db2.gz XYGAMJPWAACQKK-CQSZACIVSA-N -1 1 386.412 2.013 20 0 GEADMM CCCCNC(=O)CCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000829395976 604360843 /nfs/dbraw/zinc/36/08/43/604360843.db2.gz JIIICWONCDOMSL-GOSISDBHSA-N -1 1 381.904 2.390 20 0 GEADMM O=C([O-])c1c2c(sc1NC(=O)C(=O)N[C@@H]1CCCc3cn[nH]c31)CCCC2 ZINC000833162358 604423892 /nfs/dbraw/zinc/42/38/92/604423892.db2.gz KZRCNOIJSMUCFL-LLVKDONJSA-N -1 1 388.449 2.181 20 0 GEADMM O=S(=O)([N-]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(F)ccc1F ZINC000826487326 607691842 /nfs/dbraw/zinc/69/18/42/607691842.db2.gz LIBSZKZWCWWRPZ-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1F ZINC000829695175 604427555 /nfs/dbraw/zinc/42/75/55/604427555.db2.gz CNDSWIBMPYOMLF-UHFFFAOYSA-N -1 1 388.398 2.120 20 0 GEADMM CN(Cc1cc(Br)cs1)C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000533202737 604475430 /nfs/dbraw/zinc/47/54/30/604475430.db2.gz UUAFGMAUMNFLLY-UHFFFAOYSA-N -1 1 375.288 2.456 20 0 GEADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC(CCN2CCOCC2)CC1 ZINC000833702558 604475711 /nfs/dbraw/zinc/47/57/11/604475711.db2.gz VCLOBRNQTHQKAR-LJQANCHMSA-N -1 1 390.480 2.033 20 0 GEADMM CC(C)(NCC(=O)NCc1ccc(NC(=O)[O-])cc1)C(=O)NCC1CCCC1 ZINC000833461146 604483850 /nfs/dbraw/zinc/48/38/50/604483850.db2.gz PCKINJLXDWKOMB-UHFFFAOYSA-N -1 1 390.484 2.067 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N2CCCC2)cc1 ZINC000832241077 604541109 /nfs/dbraw/zinc/54/11/09/604541109.db2.gz IYBKWHLQAIGRCZ-FUHWJXTLSA-N -1 1 375.469 2.481 20 0 GEADMM O=C([O-])C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000833214426 604580975 /nfs/dbraw/zinc/58/09/75/604580975.db2.gz SJTZBXHDGMJWDI-VIFPVBQESA-N -1 1 399.188 2.247 20 0 GEADMM CC[C@H]1CN(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)CCN1CCOC ZINC000826681501 604611133 /nfs/dbraw/zinc/61/11/33/604611133.db2.gz GHKSJKJLLWUREW-YJBOKZPZSA-N -1 1 392.500 2.267 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N2CCCC2)c1 ZINC000832533282 604673594 /nfs/dbraw/zinc/67/35/94/604673594.db2.gz KELNCJSOEWYSEK-FUHWJXTLSA-N -1 1 375.469 2.481 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N2CCCC2)c1 ZINC000832533284 604673733 /nfs/dbraw/zinc/67/37/33/604673733.db2.gz KELNCJSOEWYSEK-WMZOPIPTSA-N -1 1 375.469 2.481 20 0 GEADMM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)ccc1Br ZINC000833728880 604690319 /nfs/dbraw/zinc/69/03/19/604690319.db2.gz BVRISJINOCUCBB-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)N2CCCC2)cc1 ZINC000833748897 604692354 /nfs/dbraw/zinc/69/23/54/604692354.db2.gz IMMPAVQOVZOHAW-GOSISDBHSA-N -1 1 389.477 2.204 20 0 GEADMM O=C(OCc1ccn(-c2c(F)cccc2F)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826466964 607709416 /nfs/dbraw/zinc/70/94/16/607709416.db2.gz BDTOWPWQSVISHX-UHFFFAOYSA-N -1 1 383.318 2.083 20 0 GEADMM O=C(OCc1ccn(-c2c(F)cccc2F)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826466964 607709418 /nfs/dbraw/zinc/70/94/18/607709418.db2.gz BDTOWPWQSVISHX-UHFFFAOYSA-N -1 1 383.318 2.083 20 0 GEADMM C[C@H](C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1)C(=O)[O-] ZINC000827449159 604745344 /nfs/dbraw/zinc/74/53/44/604745344.db2.gz HQEYDJGGYMKYBO-LLVKDONJSA-N -1 1 377.832 2.044 20 0 GEADMM C[C@H](CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1)C(=O)[O-] ZINC000827449159 604745346 /nfs/dbraw/zinc/74/53/46/604745346.db2.gz HQEYDJGGYMKYBO-LLVKDONJSA-N -1 1 377.832 2.044 20 0 GEADMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1cccc(OC(F)(F)F)c1 ZINC000825484488 604771719 /nfs/dbraw/zinc/77/17/19/604771719.db2.gz IKTCYECTJOKQNQ-LLVKDONJSA-N -1 1 375.347 2.058 20 0 GEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(CCOc3ccc(Cl)cc3)CC2)O1 ZINC000833579966 604822912 /nfs/dbraw/zinc/82/29/12/604822912.db2.gz OCWKFEOWAAIITC-KRWDZBQOSA-N -1 1 380.872 2.484 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1cc(F)c(C)cc1F ZINC000826295116 607718316 /nfs/dbraw/zinc/71/83/16/607718316.db2.gz RYYJZQHYPGUTQX-UHFFFAOYSA-N -1 1 396.357 2.355 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c(OC)c1C(=O)[O-] ZINC000833734672 604862164 /nfs/dbraw/zinc/86/21/64/604862164.db2.gz SETYJDDXSRJVCJ-UHFFFAOYSA-N -1 1 391.405 2.388 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000833557248 604865368 /nfs/dbraw/zinc/86/53/68/604865368.db2.gz FAEKPACHRKGBCJ-ZUOKHONESA-N -1 1 395.500 2.035 20 0 GEADMM Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)n[nH]1 ZINC000832883702 604873781 /nfs/dbraw/zinc/87/37/81/604873781.db2.gz OUNTVDREHBXNRW-VIFPVBQESA-N -1 1 390.465 2.043 20 0 GEADMM CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2ccccc21 ZINC000833656402 604884539 /nfs/dbraw/zinc/88/45/39/604884539.db2.gz DEVQRCOKICAHGI-UHFFFAOYSA-N -1 1 399.428 2.484 20 0 GEADMM CCOc1ccc(Nc2ncccc2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833662301 604900820 /nfs/dbraw/zinc/90/08/20/604900820.db2.gz AZHMOIQUHBHGKQ-KRWDZBQOSA-N -1 1 395.419 2.373 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000630220940 604929907 /nfs/dbraw/zinc/92/99/07/604929907.db2.gz SBWVKHKQCGYKOE-NSHDSACASA-N -1 1 387.249 2.138 20 0 GEADMM C[C@@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)[C@@H]1CNC(=O)[O-] ZINC000825920379 604931725 /nfs/dbraw/zinc/93/17/25/604931725.db2.gz YKOCRPVWSSTXHL-NOZJJQNGSA-N -1 1 376.438 2.132 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H]3CNC(=O)[O-])n2)cc1 ZINC000830159711 604968487 /nfs/dbraw/zinc/96/84/87/604968487.db2.gz HVLDMWOLOJAGOF-ZDUSSCGKSA-N -1 1 375.454 2.131 20 0 GEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)C(=O)[O-] ZINC000833477575 604972621 /nfs/dbraw/zinc/97/26/21/604972621.db2.gz KGITZPKHIXCJBM-OKZBNKHCSA-N -1 1 380.460 2.329 20 0 GEADMM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833431506 604983571 /nfs/dbraw/zinc/98/35/71/604983571.db2.gz OLDJOBVKLIVXOT-GOSISDBHSA-N -1 1 380.460 2.110 20 0 GEADMM CC1(C)CN(C2(CNC(=O)c3cncc(C(=O)[O-])c3)CCCCC2)CCO1 ZINC000833560063 605030625 /nfs/dbraw/zinc/03/06/25/605030625.db2.gz MVKWZVNDFUJVIQ-UHFFFAOYSA-N -1 1 375.469 2.323 20 0 GEADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc(S(C)(=O)=O)cc1 ZINC000833412717 605058567 /nfs/dbraw/zinc/05/85/67/605058567.db2.gz XMKWYWLPHSALIT-SNVBAGLBSA-N -1 1 387.417 2.407 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(COC2CCOCC2)c1 ZINC000833623872 605100585 /nfs/dbraw/zinc/10/05/85/605100585.db2.gz GPZMLNLGCVWMTM-MRXNPFEDSA-N -1 1 390.480 2.003 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833539810 605101327 /nfs/dbraw/zinc/10/13/27/605101327.db2.gz HUPMGKZGAQSIBM-STQMWFEESA-N -1 1 399.285 2.224 20 0 GEADMM C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833539116 605108540 /nfs/dbraw/zinc/10/85/40/605108540.db2.gz KRQQTSWAOBHKKI-QWHCGFSZSA-N -1 1 399.285 2.224 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000833627639 605140445 /nfs/dbraw/zinc/14/04/45/605140445.db2.gz YDWAGIGEMXHJNH-ZDUSSCGKSA-N -1 1 376.432 2.040 20 0 GEADMM CC(C)Cc1nnc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)s1 ZINC000824312479 605150580 /nfs/dbraw/zinc/15/05/80/605150580.db2.gz WQSHAKYPBLZRFD-UHFFFAOYSA-N -1 1 381.502 2.282 20 0 GEADMM CCN1C[C@@H](C)N(C(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)C[C@H]1C ZINC000833658374 605165107 /nfs/dbraw/zinc/16/51/07/605165107.db2.gz RZPDZFRCFGUEQT-NXEZZACHSA-N -1 1 383.470 2.488 20 0 GEADMM CC(C)CN(C(=O)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CC1 ZINC000833485253 605220149 /nfs/dbraw/zinc/22/01/49/605220149.db2.gz KFRDBOKXEXXZFT-QFIPXVFZSA-N -1 1 387.524 2.342 20 0 GEADMM CCNc1ncc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)s1 ZINC000827274822 605289846 /nfs/dbraw/zinc/28/98/46/605289846.db2.gz JEKNRCFYFUFVSE-UHFFFAOYSA-N -1 1 387.425 2.380 20 0 GEADMM CCNc1ncc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)s1 ZINC000827274822 605289850 /nfs/dbraw/zinc/28/98/50/605289850.db2.gz JEKNRCFYFUFVSE-UHFFFAOYSA-N -1 1 387.425 2.380 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc2c(c1)CCO2)c1cccs1 ZINC000445062187 649956183 /nfs/dbraw/zinc/95/61/83/649956183.db2.gz VMDJDJUHAYRUNS-MRXNPFEDSA-N -1 1 381.475 2.059 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000834251196 605332673 /nfs/dbraw/zinc/33/26/73/605332673.db2.gz VVNARTNMFOZXEN-HAGHYFMRSA-N -1 1 388.439 2.173 20 0 GEADMM O=C([O-])NCc1nnc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH]1 ZINC000832730529 605353446 /nfs/dbraw/zinc/35/34/46/605353446.db2.gz TYKKPRWGNLAXKZ-UHFFFAOYSA-N -1 1 391.384 2.179 20 0 GEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)N3CCC(c4cnc[nH]4)CC3)cc2C1 ZINC000834193009 605361712 /nfs/dbraw/zinc/36/17/12/605361712.db2.gz RWMGUUASZFWKPH-CQSZACIVSA-N -1 1 384.440 2.341 20 0 GEADMM COCCN(CC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)C(=O)[O-] ZINC000833884714 605375141 /nfs/dbraw/zinc/37/51/41/605375141.db2.gz SKQOQPAFXYSSMN-HNNXBMFYSA-N -1 1 393.488 2.185 20 0 GEADMM CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)c1 ZINC000833657080 605418677 /nfs/dbraw/zinc/41/86/77/605418677.db2.gz KWWVHPMYJKMNCS-UHFFFAOYSA-N -1 1 380.422 2.399 20 0 GEADMM CCn1nc(C)c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1C ZINC000827718354 605438209 /nfs/dbraw/zinc/43/82/09/605438209.db2.gz YDKVPJJQCXFAIW-UHFFFAOYSA-N -1 1 383.412 2.325 20 0 GEADMM CCn1nc(C)c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1C ZINC000827718354 605438214 /nfs/dbraw/zinc/43/82/14/605438214.db2.gz YDKVPJJQCXFAIW-UHFFFAOYSA-N -1 1 383.412 2.325 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833790939 605438266 /nfs/dbraw/zinc/43/82/66/605438266.db2.gz QXPITNYROQCNMX-AYRXBEOTSA-N -1 1 375.425 2.110 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]21 ZINC000834187684 605458861 /nfs/dbraw/zinc/45/88/61/605458861.db2.gz LHKPDUUGRSHFAN-VNQPRFMTSA-N -1 1 375.473 2.305 20 0 GEADMM CCOc1cc(CN2CCC[C@H](NC(=O)[O-])C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000833861518 605490199 /nfs/dbraw/zinc/49/01/99/605490199.db2.gz KQIPYKRJLYSOFL-ZBFHGGJFSA-N -1 1 393.484 2.173 20 0 GEADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000834024902 605519449 /nfs/dbraw/zinc/51/94/49/605519449.db2.gz GEMJJUIJKIRTJQ-WMLDXEAASA-N -1 1 381.423 2.435 20 0 GEADMM O=C([O-])N[C@H](CC(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1 ZINC000834122274 605601188 /nfs/dbraw/zinc/60/11/88/605601188.db2.gz PCHCOPHDEOOSLC-LJQANCHMSA-N -1 1 389.496 2.346 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833791974 605618464 /nfs/dbraw/zinc/61/84/64/605618464.db2.gz XDLYFVYURSIXEY-MEBBXXQBSA-N -1 1 381.392 2.245 20 0 GEADMM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000834053095 605662088 /nfs/dbraw/zinc/66/20/88/605662088.db2.gz QOCDUMYVVMYDMQ-CVEARBPZSA-N -1 1 393.403 2.190 20 0 GEADMM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000834053095 605662093 /nfs/dbraw/zinc/66/20/93/605662093.db2.gz QOCDUMYVVMYDMQ-CVEARBPZSA-N -1 1 393.403 2.190 20 0 GEADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000834024169 605686533 /nfs/dbraw/zinc/68/65/33/605686533.db2.gz BABAPQUPCZXRKS-XJKSGUPXSA-N -1 1 392.525 2.491 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@](C)(CC)CNC(=O)[O-] ZINC000833861845 605704857 /nfs/dbraw/zinc/70/48/57/605704857.db2.gz OMHRWUPCPKDSEI-FQEVSTJZSA-N -1 1 392.500 2.460 20 0 GEADMM N=C(NOCc1ncc(-c2cccc(Cl)c2)o1)[C@H]1COCCN1C(=O)[O-] ZINC000833982183 605733018 /nfs/dbraw/zinc/73/30/18/605733018.db2.gz YETPPEORTZZMFQ-GFCCVEGCSA-N -1 1 380.788 2.372 20 0 GEADMM O=C([O-])N1CC(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000834034254 605738614 /nfs/dbraw/zinc/73/86/14/605738614.db2.gz RCRWNEWJKNISCM-MRXNPFEDSA-N -1 1 380.876 2.386 20 0 GEADMM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC000834260219 605768782 /nfs/dbraw/zinc/76/87/82/605768782.db2.gz OGYNGONBGUYYAQ-UHFFFAOYSA-N -1 1 384.327 2.074 20 0 GEADMM O=C([O-])NCc1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000834247477 605818152 /nfs/dbraw/zinc/81/81/52/605818152.db2.gz XMEYODCKOUJNSM-UHFFFAOYSA-N -1 1 389.496 2.419 20 0 GEADMM O=C([O-])N1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834099684 605823029 /nfs/dbraw/zinc/82/30/29/605823029.db2.gz QDGIYTYUMICCQB-HUUCEWRRSA-N -1 1 384.440 2.461 20 0 GEADMM C[C@H]1CN(C(=O)[C@]2(C)CCCCN2C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833617313 605856903 /nfs/dbraw/zinc/85/69/03/605856903.db2.gz CAEGGAMMPIZRKR-YWZLYKJASA-N -1 1 397.516 2.174 20 0 GEADMM O=C([O-])N1CCC2(CCN(CC(=O)Nc3cccc4nsnc43)C2)CC1 ZINC000834007356 605896241 /nfs/dbraw/zinc/89/62/41/605896241.db2.gz LGKLENVYYAGNHP-UHFFFAOYSA-N -1 1 375.454 2.096 20 0 GEADMM C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200096 605901025 /nfs/dbraw/zinc/90/10/25/605901025.db2.gz WRUOXWWUAPKMMF-HOCLYGCPSA-N -1 1 381.432 2.275 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200096 605901027 /nfs/dbraw/zinc/90/10/27/605901027.db2.gz WRUOXWWUAPKMMF-HOCLYGCPSA-N -1 1 381.432 2.275 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833548480 605902116 /nfs/dbraw/zinc/90/21/16/605902116.db2.gz KWHMZGAJBMDXLZ-XJKSGUPXSA-N -1 1 399.422 2.414 20 0 GEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000832792292 605928799 /nfs/dbraw/zinc/92/87/99/605928799.db2.gz JBJVPEBODSXDBJ-LJQANCHMSA-N -1 1 382.464 2.041 20 0 GEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000832235091 605937682 /nfs/dbraw/zinc/93/76/82/605937682.db2.gz WHMHIVWLSKAVLR-FUDCBSFHSA-N -1 1 377.407 2.440 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596104 605939084 /nfs/dbraw/zinc/93/90/84/605939084.db2.gz IMJXWGMGTPGVDE-BBRMVZONSA-N -1 1 399.422 2.242 20 0 GEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCCCOC1CCCCC1 ZINC000832235162 605941384 /nfs/dbraw/zinc/94/13/84/605941384.db2.gz YTCHLCDZRHVYRK-ALOPSCKCSA-N -1 1 381.517 2.495 20 0 GEADMM Cn1cnc2cc(C(=O)Nc3ccc(-c4nc(CNC(=O)[O-])n[nH]4)cc3)ccc21 ZINC000833960258 605985105 /nfs/dbraw/zinc/98/51/05/605985105.db2.gz ZWJRXYKHMSVNQW-UHFFFAOYSA-N -1 1 391.391 2.378 20 0 GEADMM Cn1cnc2cc(C(=O)Nc3ccc(-c4n[nH]c(CNC(=O)[O-])n4)cc3)ccc21 ZINC000833960258 605985107 /nfs/dbraw/zinc/98/51/07/605985107.db2.gz ZWJRXYKHMSVNQW-UHFFFAOYSA-N -1 1 391.391 2.378 20 0 GEADMM C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CCN1C(=O)[O-] ZINC000833828623 606038619 /nfs/dbraw/zinc/03/86/19/606038619.db2.gz PFOXIRYIVZVMQX-LSDHHAIUSA-N -1 1 388.468 2.215 20 0 GEADMM O=C([O-])Nc1ccccc1CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000834273800 606043378 /nfs/dbraw/zinc/04/33/78/606043378.db2.gz QOGFVGCIUGAUIN-UHFFFAOYSA-N -1 1 375.469 2.470 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000822005479 606067511 /nfs/dbraw/zinc/06/75/11/606067511.db2.gz RQKNGFXEZUYMFJ-INIZCTEOSA-N -1 1 398.389 2.364 20 0 GEADMM Clc1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)nc1-c1nnn[n-]1 ZINC000822573836 606105369 /nfs/dbraw/zinc/10/53/69/606105369.db2.gz JIWLMDPFEMARBY-ZDUSSCGKSA-N -1 1 378.864 2.470 20 0 GEADMM Clc1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)nc1-c1nn[n-]n1 ZINC000822573836 606105370 /nfs/dbraw/zinc/10/53/70/606105370.db2.gz JIWLMDPFEMARBY-ZDUSSCGKSA-N -1 1 378.864 2.470 20 0 GEADMM C[C@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820513396 606134141 /nfs/dbraw/zinc/13/41/41/606134141.db2.gz ZBSXOMCFVQJGGN-NEPJUHHUSA-N -1 1 385.449 2.393 20 0 GEADMM C[C@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820513396 606134142 /nfs/dbraw/zinc/13/41/42/606134142.db2.gz ZBSXOMCFVQJGGN-NEPJUHHUSA-N -1 1 385.449 2.393 20 0 GEADMM Cc1ccc(CN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)C2CC2)o1 ZINC000822235922 606134447 /nfs/dbraw/zinc/13/44/47/606134447.db2.gz BXHFPTPJZSHMRD-UHFFFAOYSA-N -1 1 387.421 2.178 20 0 GEADMM Cc1ccc(CN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)C2CC2)o1 ZINC000822235922 606134448 /nfs/dbraw/zinc/13/44/48/606134448.db2.gz BXHFPTPJZSHMRD-UHFFFAOYSA-N -1 1 387.421 2.178 20 0 GEADMM COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821828418 606140435 /nfs/dbraw/zinc/14/04/35/606140435.db2.gz VQTPCTWVXPRAIW-UHFFFAOYSA-N -1 1 393.812 2.386 20 0 GEADMM COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821828418 606140436 /nfs/dbraw/zinc/14/04/36/606140436.db2.gz VQTPCTWVXPRAIW-UHFFFAOYSA-N -1 1 393.812 2.386 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCO[C@@H]2CCCc3ccccc32)n1 ZINC000822613152 606155614 /nfs/dbraw/zinc/15/56/14/606155614.db2.gz BLIWZIIUVHZPOL-MRXNPFEDSA-N -1 1 396.455 2.206 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCO[C@@H]2CCCc3ccccc32)n1 ZINC000822613152 606155616 /nfs/dbraw/zinc/15/56/16/606155616.db2.gz BLIWZIIUVHZPOL-MRXNPFEDSA-N -1 1 396.455 2.206 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614878 606156042 /nfs/dbraw/zinc/15/60/42/606156042.db2.gz VURVZRZOTIEGJM-JOYOIKCWSA-N -1 1 392.345 2.297 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614878 606156043 /nfs/dbraw/zinc/15/60/43/606156043.db2.gz VURVZRZOTIEGJM-JOYOIKCWSA-N -1 1 392.345 2.297 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000822609105 606158585 /nfs/dbraw/zinc/15/85/85/606158585.db2.gz JVMGUAZDINDIOF-GFCCVEGCSA-N -1 1 384.469 2.246 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000822609105 606158587 /nfs/dbraw/zinc/15/85/87/606158587.db2.gz JVMGUAZDINDIOF-GFCCVEGCSA-N -1 1 384.469 2.246 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCSc2ccc(F)cc2)n1 ZINC000822614853 606159916 /nfs/dbraw/zinc/15/99/16/606159916.db2.gz VBSMFZCCVIOGKZ-UHFFFAOYSA-N -1 1 376.421 2.043 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCSc2ccc(F)cc2)n1 ZINC000822614853 606159918 /nfs/dbraw/zinc/15/99/18/606159918.db2.gz VBSMFZCCVIOGKZ-UHFFFAOYSA-N -1 1 376.421 2.043 20 0 GEADMM COc1ccc(C[C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)cc1 ZINC000821791030 606161324 /nfs/dbraw/zinc/16/13/24/606161324.db2.gz ZMHKPVPGOYFLQM-AWEZNQCLSA-N -1 1 396.455 2.095 20 0 GEADMM COc1ccc(C[C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)cc1 ZINC000821791030 606161326 /nfs/dbraw/zinc/16/13/26/606161326.db2.gz ZMHKPVPGOYFLQM-AWEZNQCLSA-N -1 1 396.455 2.095 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000821083268 606162209 /nfs/dbraw/zinc/16/22/09/606162209.db2.gz WOTIYUJWZCKRBH-QWHCGFSZSA-N -1 1 376.465 2.048 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000821083268 606162211 /nfs/dbraw/zinc/16/22/11/606162211.db2.gz WOTIYUJWZCKRBH-QWHCGFSZSA-N -1 1 376.465 2.048 20 0 GEADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821678086 606171300 /nfs/dbraw/zinc/17/13/00/606171300.db2.gz JMQIQCPDJWDBFL-RNCFNFMXSA-N -1 1 390.835 2.151 20 0 GEADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821678086 606171301 /nfs/dbraw/zinc/17/13/01/606171301.db2.gz JMQIQCPDJWDBFL-RNCFNFMXSA-N -1 1 390.835 2.151 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CCn2cccc2)c1-c1nn[n-]n1 ZINC000822486411 606192983 /nfs/dbraw/zinc/19/29/83/606192983.db2.gz JAONIGVJKQGIKO-UHFFFAOYSA-N -1 1 377.408 2.296 20 0 GEADMM CCC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000820944349 606276635 /nfs/dbraw/zinc/27/66/35/606276635.db2.gz LMFMVASONSJYQW-UHFFFAOYSA-N -1 1 397.439 2.344 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000823290039 606294939 /nfs/dbraw/zinc/29/49/39/606294939.db2.gz SHTIFSKVQHHXGH-CHWSQXEVSA-N -1 1 379.376 2.086 20 0 GEADMM CN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nc2ccccc2s1 ZINC000821593966 606296087 /nfs/dbraw/zinc/29/60/87/606296087.db2.gz RTCRPELRDOAKAQ-UHFFFAOYSA-N -1 1 381.421 2.257 20 0 GEADMM CCc1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1ccccc1F ZINC000821504538 606296345 /nfs/dbraw/zinc/29/63/45/606296345.db2.gz HGJMDIWULSZKRZ-UHFFFAOYSA-N -1 1 394.370 2.107 20 0 GEADMM CC[C@H](O)CCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820932122 606323314 /nfs/dbraw/zinc/32/33/14/606323314.db2.gz KWXNHCRXDYSWAJ-NSHDSACASA-N -1 1 376.486 2.142 20 0 GEADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[nH]n1 ZINC000822341082 606435780 /nfs/dbraw/zinc/43/57/80/606435780.db2.gz UFTGEOQDVXDADS-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000819939502 606458370 /nfs/dbraw/zinc/45/83/70/606458370.db2.gz DYAPCAJZLHKPRE-QMMMGPOBSA-N -1 1 385.881 2.470 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000819939502 606458372 /nfs/dbraw/zinc/45/83/72/606458372.db2.gz DYAPCAJZLHKPRE-QMMMGPOBSA-N -1 1 385.881 2.470 20 0 GEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821593887 606464192 /nfs/dbraw/zinc/46/41/92/606464192.db2.gz OQLBGANFNDLZBJ-UHFFFAOYSA-N -1 1 379.758 2.268 20 0 GEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821593887 606464194 /nfs/dbraw/zinc/46/41/94/606464194.db2.gz OQLBGANFNDLZBJ-UHFFFAOYSA-N -1 1 379.758 2.268 20 0 GEADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820925152 606464257 /nfs/dbraw/zinc/46/42/57/606464257.db2.gz FNMBQXFDCMFRNH-LBPRGKRZSA-N -1 1 393.860 2.126 20 0 GEADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820925152 606464258 /nfs/dbraw/zinc/46/42/58/606464258.db2.gz FNMBQXFDCMFRNH-LBPRGKRZSA-N -1 1 393.860 2.126 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000823601217 606474283 /nfs/dbraw/zinc/47/42/83/606474283.db2.gz WSLSVRXPZXLGLF-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372904 606497549 /nfs/dbraw/zinc/49/75/49/606497549.db2.gz NBAHKAINAJZZMJ-LLVKDONJSA-N -1 1 398.448 2.089 20 0 GEADMM O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372904 606497550 /nfs/dbraw/zinc/49/75/50/606497550.db2.gz NBAHKAINAJZZMJ-LLVKDONJSA-N -1 1 398.448 2.089 20 0 GEADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820564131 606501142 /nfs/dbraw/zinc/50/11/42/606501142.db2.gz YYABYYKSDCGCRE-JTQLQIEISA-N -1 1 391.478 2.165 20 0 GEADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820564131 606501143 /nfs/dbraw/zinc/50/11/43/606501143.db2.gz YYABYYKSDCGCRE-JTQLQIEISA-N -1 1 391.478 2.165 20 0 GEADMM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822230368 606501613 /nfs/dbraw/zinc/50/16/13/606501613.db2.gz DRHOQKHUUWVPLR-OAHLLOKOSA-N -1 1 398.492 2.040 20 0 GEADMM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822230368 606501614 /nfs/dbraw/zinc/50/16/14/606501614.db2.gz DRHOQKHUUWVPLR-OAHLLOKOSA-N -1 1 398.492 2.040 20 0 GEADMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820138337 606509152 /nfs/dbraw/zinc/50/91/52/606509152.db2.gz UWPJGLUQFMBCHA-UHFFFAOYSA-N -1 1 385.453 2.388 20 0 GEADMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820138337 606509153 /nfs/dbraw/zinc/50/91/53/606509153.db2.gz UWPJGLUQFMBCHA-UHFFFAOYSA-N -1 1 385.453 2.388 20 0 GEADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC000819892029 606516300 /nfs/dbraw/zinc/51/63/00/606516300.db2.gz QWKGMTGZNKKLLT-UHFFFAOYSA-N -1 1 381.392 2.054 20 0 GEADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC000819892029 606516302 /nfs/dbraw/zinc/51/63/02/606516302.db2.gz QWKGMTGZNKKLLT-UHFFFAOYSA-N -1 1 381.392 2.054 20 0 GEADMM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823266316 606527066 /nfs/dbraw/zinc/52/70/66/606527066.db2.gz RZPXTFKZVJHSSC-UHFFFAOYSA-N -1 1 384.343 2.194 20 0 GEADMM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823266316 606527068 /nfs/dbraw/zinc/52/70/68/606527068.db2.gz RZPXTFKZVJHSSC-UHFFFAOYSA-N -1 1 384.343 2.194 20 0 GEADMM Cc1cc(Br)ccc1SCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822161015 606531065 /nfs/dbraw/zinc/53/10/65/606531065.db2.gz NCIUBEFUGYBVBC-UHFFFAOYSA-N -1 1 394.258 2.392 20 0 GEADMM Cc1cc(Br)ccc1SCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822161015 606531066 /nfs/dbraw/zinc/53/10/66/606531066.db2.gz NCIUBEFUGYBVBC-UHFFFAOYSA-N -1 1 394.258 2.392 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1)c1cccs1 ZINC000823290291 606533306 /nfs/dbraw/zinc/53/33/06/606533306.db2.gz VQLNNADZNYLKDW-UHFFFAOYSA-N -1 1 380.393 2.156 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1)c1cccs1 ZINC000823290291 606533308 /nfs/dbraw/zinc/53/33/08/606533308.db2.gz VQLNNADZNYLKDW-UHFFFAOYSA-N -1 1 380.393 2.156 20 0 GEADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821639366 606542217 /nfs/dbraw/zinc/54/22/17/606542217.db2.gz WYGFQLVVONAMEJ-GFCCVEGCSA-N -1 1 385.449 2.380 20 0 GEADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821639366 606542219 /nfs/dbraw/zinc/54/22/19/606542219.db2.gz WYGFQLVVONAMEJ-GFCCVEGCSA-N -1 1 385.449 2.380 20 0 GEADMM CCOC(=O)[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCc2ccccc21 ZINC000821319658 606561890 /nfs/dbraw/zinc/56/18/90/606561890.db2.gz HAEPDHGSIUXYPX-SFHVURJKSA-N -1 1 383.433 2.063 20 0 GEADMM CCOC(=O)[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCc2ccccc21 ZINC000821319658 606561891 /nfs/dbraw/zinc/56/18/91/606561891.db2.gz HAEPDHGSIUXYPX-SFHVURJKSA-N -1 1 383.433 2.063 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000820741428 606562106 /nfs/dbraw/zinc/56/21/06/606562106.db2.gz DBKODCHSNCTICW-QWRGUYRKSA-N -1 1 392.485 2.398 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000820741428 606562108 /nfs/dbraw/zinc/56/21/08/606562108.db2.gz DBKODCHSNCTICW-QWRGUYRKSA-N -1 1 392.485 2.398 20 0 GEADMM Cc1noc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)n1 ZINC000822527809 606563917 /nfs/dbraw/zinc/56/39/17/606563917.db2.gz FQJUNJUNWRJECA-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM Cc1noc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)n1 ZINC000822527809 606563918 /nfs/dbraw/zinc/56/39/18/606563918.db2.gz FQJUNJUNWRJECA-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823176761 606570624 /nfs/dbraw/zinc/57/06/24/606570624.db2.gz YEOVFNVLOOBFCG-UHFFFAOYSA-N -1 1 396.476 2.210 20 0 GEADMM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176761 606570626 /nfs/dbraw/zinc/57/06/26/606570626.db2.gz YEOVFNVLOOBFCG-UHFFFAOYSA-N -1 1 396.476 2.210 20 0 GEADMM CCO[C@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(CC)CC ZINC000821362109 606577565 /nfs/dbraw/zinc/57/75/65/606577565.db2.gz YKJAKSRNJCFFGR-STQMWFEESA-N -1 1 376.465 2.048 20 0 GEADMM CCO[C@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(CC)CC ZINC000821362109 606577567 /nfs/dbraw/zinc/57/75/67/606577567.db2.gz YKJAKSRNJCFFGR-STQMWFEESA-N -1 1 376.465 2.048 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(CC)CC ZINC000821362108 606577845 /nfs/dbraw/zinc/57/78/45/606577845.db2.gz YKJAKSRNJCFFGR-QWHCGFSZSA-N -1 1 376.465 2.048 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(CC)CC ZINC000821362108 606577847 /nfs/dbraw/zinc/57/78/47/606577847.db2.gz YKJAKSRNJCFFGR-QWHCGFSZSA-N -1 1 376.465 2.048 20 0 GEADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820562168 606581925 /nfs/dbraw/zinc/58/19/25/606581925.db2.gz DQWIUCZSGBBDGP-REFGNXHDSA-N -1 1 375.479 2.499 20 0 GEADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820562168 606581926 /nfs/dbraw/zinc/58/19/26/606581926.db2.gz DQWIUCZSGBBDGP-REFGNXHDSA-N -1 1 375.479 2.499 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCSc2ccncc21 ZINC000823607444 606636882 /nfs/dbraw/zinc/63/68/82/606636882.db2.gz VUXKGUHHRMOMPG-UHFFFAOYSA-N -1 1 394.869 2.216 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCSc2ccncc21 ZINC000823607444 606636883 /nfs/dbraw/zinc/63/68/83/606636883.db2.gz VUXKGUHHRMOMPG-UHFFFAOYSA-N -1 1 394.869 2.216 20 0 GEADMM CC(=O)CCc1ccc(O[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819782022 606648422 /nfs/dbraw/zinc/64/84/22/606648422.db2.gz HXEAVVKIENRDCS-CQSZACIVSA-N -1 1 395.419 2.294 20 0 GEADMM CC(=O)CCc1ccc(O[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819782022 606648423 /nfs/dbraw/zinc/64/84/23/606648423.db2.gz HXEAVVKIENRDCS-CQSZACIVSA-N -1 1 395.419 2.294 20 0 GEADMM O=C(NC1CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1)C1CCCC1 ZINC000823144343 606648605 /nfs/dbraw/zinc/64/86/05/606648605.db2.gz FDPUBDUIYRHRRT-UHFFFAOYSA-N -1 1 398.467 2.170 20 0 GEADMM O=C(NC1CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1)C1CCCC1 ZINC000823144343 606648606 /nfs/dbraw/zinc/64/86/06/606648606.db2.gz FDPUBDUIYRHRRT-UHFFFAOYSA-N -1 1 398.467 2.170 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820860563 606650416 /nfs/dbraw/zinc/65/04/16/606650416.db2.gz KAMOOEOYGZDFFG-CXAGYDPISA-N -1 1 394.435 2.150 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820860563 606650417 /nfs/dbraw/zinc/65/04/17/606650417.db2.gz KAMOOEOYGZDFFG-CXAGYDPISA-N -1 1 394.435 2.150 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000823436362 606651403 /nfs/dbraw/zinc/65/14/03/606651403.db2.gz ROXQHYHXHRXILI-INIZCTEOSA-N -1 1 381.392 2.177 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000823436362 606651404 /nfs/dbraw/zinc/65/14/04/606651404.db2.gz ROXQHYHXHRXILI-INIZCTEOSA-N -1 1 381.392 2.177 20 0 GEADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819789437 606651590 /nfs/dbraw/zinc/65/15/90/606651590.db2.gz OOXDCQOQZIYALL-GOSISDBHSA-N -1 1 390.403 2.269 20 0 GEADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819789437 606651591 /nfs/dbraw/zinc/65/15/91/606651591.db2.gz OOXDCQOQZIYALL-GOSISDBHSA-N -1 1 390.403 2.269 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)n1-c1nccs1 ZINC000822183958 606652109 /nfs/dbraw/zinc/65/21/09/606652109.db2.gz MOBPXHAKAUYSES-UHFFFAOYSA-N -1 1 381.421 2.483 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)n1-c1nccs1 ZINC000822183958 606652110 /nfs/dbraw/zinc/65/21/10/606652110.db2.gz MOBPXHAKAUYSES-UHFFFAOYSA-N -1 1 381.421 2.483 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CSCCS1 ZINC000822541782 606690087 /nfs/dbraw/zinc/69/00/87/606690087.db2.gz QJSKQSGEXALLTF-NSHDSACASA-N -1 1 390.494 2.137 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CSCCS1 ZINC000822541782 606690088 /nfs/dbraw/zinc/69/00/88/606690088.db2.gz QJSKQSGEXALLTF-NSHDSACASA-N -1 1 390.494 2.137 20 0 GEADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154602 606690647 /nfs/dbraw/zinc/69/06/47/606690647.db2.gz HKUVCWNTIYPEGU-SECBINFHSA-N -1 1 376.392 2.215 20 0 GEADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154602 606690648 /nfs/dbraw/zinc/69/06/48/606690648.db2.gz HKUVCWNTIYPEGU-SECBINFHSA-N -1 1 376.392 2.215 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822535174 606752755 /nfs/dbraw/zinc/75/27/55/606752755.db2.gz IRVYIWMOMNOGES-BFHYXJOUSA-N -1 1 382.424 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822535174 606752756 /nfs/dbraw/zinc/75/27/56/606752756.db2.gz IRVYIWMOMNOGES-BFHYXJOUSA-N -1 1 382.424 2.246 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H]2C[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822548298 606753439 /nfs/dbraw/zinc/75/34/39/606753439.db2.gz HOXVMKAGZYOKGT-CABCVRRESA-N -1 1 395.419 2.437 20 0 GEADMM Cc1ncsc1-c1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000822482692 606761741 /nfs/dbraw/zinc/76/17/41/606761741.db2.gz XIHJXTCHBILLBY-UHFFFAOYSA-N -1 1 375.395 2.100 20 0 GEADMM Cc1ncsc1-c1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000822482692 606761743 /nfs/dbraw/zinc/76/17/43/606761743.db2.gz XIHJXTCHBILLBY-UHFFFAOYSA-N -1 1 375.395 2.100 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820769305 606764718 /nfs/dbraw/zinc/76/47/18/606764718.db2.gz SEAVHAVEPOAAEN-SECBINFHSA-N -1 1 393.375 2.121 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(C(C)(C)C)cs1 ZINC000820804130 606783682 /nfs/dbraw/zinc/78/36/82/606783682.db2.gz MWRQFTADTGOLQM-LBPRGKRZSA-N -1 1 399.528 2.121 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(C(C)(C)C)cs1 ZINC000820804130 606783683 /nfs/dbraw/zinc/78/36/83/606783683.db2.gz MWRQFTADTGOLQM-LBPRGKRZSA-N -1 1 399.528 2.121 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000823123258 606826304 /nfs/dbraw/zinc/82/63/04/606826304.db2.gz UVKUFBXSDXPRIC-SFHVURJKSA-N -1 1 396.426 2.215 20 0 GEADMM O=C(C(F)=C1CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822911829 606835419 /nfs/dbraw/zinc/83/54/19/606835419.db2.gz BBQAXKOHGUZCRP-UHFFFAOYSA-N -1 1 387.419 2.178 20 0 GEADMM CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821447357 606844990 /nfs/dbraw/zinc/84/49/90/606844990.db2.gz JJBRQCDWDYGWKR-NWDGAFQWSA-N -1 1 385.490 2.301 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000822535212 606855413 /nfs/dbraw/zinc/85/54/13/606855413.db2.gz JRDMERZSGBIJFS-ZIAGYGMSSA-N -1 1 382.424 2.200 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000822535212 606855415 /nfs/dbraw/zinc/85/54/15/606855415.db2.gz JRDMERZSGBIJFS-ZIAGYGMSSA-N -1 1 382.424 2.200 20 0 GEADMM COc1ccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000821827661 606868150 /nfs/dbraw/zinc/86/81/50/606868150.db2.gz HEXQDXJIDGDTKQ-UHFFFAOYSA-N -1 1 397.819 2.493 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC[C@H]2CCCO2)c1 ZINC000822238676 606869974 /nfs/dbraw/zinc/86/99/74/606869974.db2.gz QDFZINLNUSMYPS-MRXNPFEDSA-N -1 1 394.435 2.058 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC[C@H]2CCCO2)c1 ZINC000822238676 606869976 /nfs/dbraw/zinc/86/99/76/606869976.db2.gz QDFZINLNUSMYPS-MRXNPFEDSA-N -1 1 394.435 2.058 20 0 GEADMM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821882577 606883736 /nfs/dbraw/zinc/88/37/36/606883736.db2.gz FDFYBINOWLERAT-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM CSc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000821984412 606888878 /nfs/dbraw/zinc/88/88/78/606888878.db2.gz QBYJGVTWLMTMLT-UHFFFAOYSA-N -1 1 397.432 2.345 20 0 GEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC2(CCC2)C1 ZINC000823600262 606937688 /nfs/dbraw/zinc/93/76/88/606937688.db2.gz FICWDFTYOSRGSM-UHFFFAOYSA-N -1 1 387.387 2.450 20 0 GEADMM CC[C@@]1(C)CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000820950258 606957978 /nfs/dbraw/zinc/95/79/78/606957978.db2.gz LFFPJNICLJEBFQ-IBGZPJMESA-N -1 1 382.472 2.107 20 0 GEADMM CC[C@@]1(C)CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000820950258 606957980 /nfs/dbraw/zinc/95/79/80/606957980.db2.gz LFFPJNICLJEBFQ-IBGZPJMESA-N -1 1 382.472 2.107 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)COC/C=C/c2ccccc2)n1 ZINC000819971547 606958622 /nfs/dbraw/zinc/95/86/22/606958622.db2.gz OFMWVOSECQTSMH-JXMROGBWSA-N -1 1 381.440 2.487 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)COC/C=C/c2ccccc2)n1 ZINC000819971547 606958623 /nfs/dbraw/zinc/95/86/23/606958623.db2.gz OFMWVOSECQTSMH-JXMROGBWSA-N -1 1 381.440 2.487 20 0 GEADMM Fc1cccc(CN2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)c1 ZINC000822787009 607037105 /nfs/dbraw/zinc/03/71/05/607037105.db2.gz RWYSALUIBAYCAX-UHFFFAOYSA-N -1 1 379.852 2.438 20 0 GEADMM Fc1cccc(CN2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC000822787009 607037106 /nfs/dbraw/zinc/03/71/06/607037106.db2.gz RWYSALUIBAYCAX-UHFFFAOYSA-N -1 1 379.852 2.438 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000822535080 607054209 /nfs/dbraw/zinc/05/42/09/607054209.db2.gz GEJHYQJNXJTPSB-CQSZACIVSA-N -1 1 384.440 2.446 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000822535080 607054210 /nfs/dbraw/zinc/05/42/10/607054210.db2.gz GEJHYQJNXJTPSB-CQSZACIVSA-N -1 1 384.440 2.446 20 0 GEADMM CSc1nccn1-c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821989227 607104554 /nfs/dbraw/zinc/10/45/54/607104554.db2.gz ISUSZJWUJYJARY-UHFFFAOYSA-N -1 1 384.450 2.483 20 0 GEADMM CSc1nccn1-c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821989227 607104556 /nfs/dbraw/zinc/10/45/56/607104556.db2.gz ISUSZJWUJYJARY-UHFFFAOYSA-N -1 1 384.450 2.483 20 0 GEADMM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2)n1 ZINC000822197956 607106616 /nfs/dbraw/zinc/10/66/16/607106616.db2.gz WDVLNEUUTNNDFX-UHFFFAOYSA-N -1 1 380.437 2.307 20 0 GEADMM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2)n1 ZINC000822197956 607106618 /nfs/dbraw/zinc/10/66/18/607106618.db2.gz WDVLNEUUTNNDFX-UHFFFAOYSA-N -1 1 380.437 2.307 20 0 GEADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000819817647 607109725 /nfs/dbraw/zinc/10/97/25/607109725.db2.gz JQAGXCQCGRBRKR-MRVPVSSYSA-N -1 1 389.466 2.401 20 0 GEADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000819817647 607109727 /nfs/dbraw/zinc/10/97/27/607109727.db2.gz JQAGXCQCGRBRKR-MRVPVSSYSA-N -1 1 389.466 2.401 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000821988235 607128922 /nfs/dbraw/zinc/12/89/22/607128922.db2.gz DDVGTGZHBNSWSU-WDEREUQCSA-N -1 1 388.497 2.406 20 0 GEADMM O=C(COc1ccc(Cl)cc1)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000823041298 607166987 /nfs/dbraw/zinc/16/69/87/607166987.db2.gz XMZDTKREXDRHTG-UHFFFAOYSA-N -1 1 395.806 2.483 20 0 GEADMM CCc1n[nH]c(=O)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1CC ZINC000821504460 607174724 /nfs/dbraw/zinc/17/47/24/607174724.db2.gz DXBPELIQZYSZBM-UHFFFAOYSA-N -1 1 377.412 2.042 20 0 GEADMM CCc1n[nH]c(=O)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1CC ZINC000821504460 607174725 /nfs/dbraw/zinc/17/47/25/607174725.db2.gz DXBPELIQZYSZBM-UHFFFAOYSA-N -1 1 377.412 2.042 20 0 GEADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](C)c1cc2ccccc2o1 ZINC000821083225 607210130 /nfs/dbraw/zinc/21/01/30/607210130.db2.gz VYQAVQWRHZHZJV-GFCCVEGCSA-N -1 1 380.412 2.204 20 0 GEADMM C[C@H](Oc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820548854 607217234 /nfs/dbraw/zinc/21/72/34/607217234.db2.gz GUDWXOCRCPGGDM-ZDUSSCGKSA-N -1 1 390.407 2.237 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]2C[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826231261 607779211 /nfs/dbraw/zinc/77/92/11/607779211.db2.gz DOSQZAYIJAPDHG-PWSUYJOCSA-N -1 1 388.497 2.237 20 0 GEADMM CCOC(=O)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)c1ccccc1 ZINC000825512068 607824334 /nfs/dbraw/zinc/82/43/34/607824334.db2.gz RQUFQLWXAKLLGC-ZDUSSCGKSA-N -1 1 380.408 2.028 20 0 GEADMM CCOC(=O)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)c1ccccc1 ZINC000825512068 607824335 /nfs/dbraw/zinc/82/43/35/607824335.db2.gz RQUFQLWXAKLLGC-ZDUSSCGKSA-N -1 1 380.408 2.028 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000826340810 607824443 /nfs/dbraw/zinc/82/44/43/607824443.db2.gz LVQGUOWVXKFBEO-OAHLLOKOSA-N -1 1 386.456 2.332 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000826340810 607824444 /nfs/dbraw/zinc/82/44/44/607824444.db2.gz LVQGUOWVXKFBEO-OAHLLOKOSA-N -1 1 386.456 2.332 20 0 GEADMM CCCOc1ccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825338727 607864939 /nfs/dbraw/zinc/86/49/39/607864939.db2.gz GPOCFUNRGOZBEI-UHFFFAOYSA-N -1 1 385.399 2.490 20 0 GEADMM CCCOc1ccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825338727 607864940 /nfs/dbraw/zinc/86/49/40/607864940.db2.gz GPOCFUNRGOZBEI-UHFFFAOYSA-N -1 1 385.399 2.490 20 0 GEADMM CS(=O)(=O)c1ccc(OCCCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826224175 607866130 /nfs/dbraw/zinc/86/61/30/607866130.db2.gz SEVQYLXCBCYDNQ-UHFFFAOYSA-N -1 1 392.412 2.257 20 0 GEADMM CS(=O)(=O)c1ccc(OCCCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826224175 607866131 /nfs/dbraw/zinc/86/61/31/607866131.db2.gz SEVQYLXCBCYDNQ-UHFFFAOYSA-N -1 1 392.412 2.257 20 0 GEADMM CC1(C)Cc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)ccc2O1 ZINC000824812105 607867471 /nfs/dbraw/zinc/86/74/71/607867471.db2.gz ITPNHROCUDCMAO-UHFFFAOYSA-N -1 1 390.396 2.487 20 0 GEADMM CC1(C)Cc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)ccc2O1 ZINC000824812105 607867472 /nfs/dbraw/zinc/86/74/72/607867472.db2.gz ITPNHROCUDCMAO-UHFFFAOYSA-N -1 1 390.396 2.487 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1)n1cccn1 ZINC000824045933 607896192 /nfs/dbraw/zinc/89/61/92/607896192.db2.gz PMCWUYVNBDJAOC-LBPRGKRZSA-N -1 1 375.396 2.402 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1)n1cccn1 ZINC000824045933 607896193 /nfs/dbraw/zinc/89/61/93/607896193.db2.gz PMCWUYVNBDJAOC-LBPRGKRZSA-N -1 1 375.396 2.402 20 0 GEADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC000825902697 607897272 /nfs/dbraw/zinc/89/72/72/607897272.db2.gz YIQLRSBKPXZUBG-NSHDSACASA-N -1 1 394.357 2.157 20 0 GEADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC000825902697 607897273 /nfs/dbraw/zinc/89/72/73/607897273.db2.gz YIQLRSBKPXZUBG-NSHDSACASA-N -1 1 394.357 2.157 20 0 GEADMM COc1ccc(Cc2nnc(Sc3cccc(-c4nnn[n-]4)n3)o2)cc1OC ZINC000826208513 607900136 /nfs/dbraw/zinc/90/01/36/607900136.db2.gz ODOCKIYUTCDBDB-UHFFFAOYSA-N -1 1 397.420 2.404 20 0 GEADMM COc1ccc(Cc2nnc(Sc3cccc(-c4nn[n-]n4)n3)o2)cc1OC ZINC000826208513 607900137 /nfs/dbraw/zinc/90/01/37/607900137.db2.gz ODOCKIYUTCDBDB-UHFFFAOYSA-N -1 1 397.420 2.404 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000825000459 607906169 /nfs/dbraw/zinc/90/61/69/607906169.db2.gz QUBFMHJRBJJMFZ-HUUCEWRRSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000825000459 607906170 /nfs/dbraw/zinc/90/61/70/607906170.db2.gz QUBFMHJRBJJMFZ-HUUCEWRRSA-N -1 1 398.515 2.300 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC=C(C(F)(F)F)CC1 ZINC000826495003 607938549 /nfs/dbraw/zinc/93/85/49/607938549.db2.gz YSWSYAAMXNPXFF-UHFFFAOYSA-N -1 1 393.778 2.403 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2c(F)cccc2C1 ZINC000826494407 607939510 /nfs/dbraw/zinc/93/95/10/607939510.db2.gz AQPSULCEFSNVGY-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM Cn1c(=O)cccc1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826355228 607940245 /nfs/dbraw/zinc/94/02/45/607940245.db2.gz PMYUHWQNYVRMGV-UHFFFAOYSA-N -1 1 392.444 2.224 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Oc1ccc(F)cc1 ZINC000826104192 607968214 /nfs/dbraw/zinc/96/82/14/607968214.db2.gz RMAGRFBFRBVCPA-GFCCVEGCSA-N -1 1 392.778 2.087 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Oc1ccc(F)cc1 ZINC000826104192 607968215 /nfs/dbraw/zinc/96/82/15/607968215.db2.gz RMAGRFBFRBVCPA-GFCCVEGCSA-N -1 1 392.778 2.087 20 0 GEADMM CC(=O)Oc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000824009759 607971411 /nfs/dbraw/zinc/97/14/11/607971411.db2.gz CRHOFDMRBDXCHE-UHFFFAOYSA-N -1 1 394.796 2.213 20 0 GEADMM O=S(=O)(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ccccn1 ZINC000826492225 607971565 /nfs/dbraw/zinc/97/15/65/607971565.db2.gz YMZMNTOWRDPDOK-UHFFFAOYSA-N -1 1 398.473 2.469 20 0 GEADMM O=S(=O)(N[C@H](c1cccnc1)C1CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487654 607974545 /nfs/dbraw/zinc/97/45/45/607974545.db2.gz VYOYQNYRKROGEA-HNNXBMFYSA-N -1 1 390.856 2.345 20 0 GEADMM O=S(=O)(N[C@H](c1cccnc1)C1CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487654 607974546 /nfs/dbraw/zinc/97/45/46/607974546.db2.gz VYOYQNYRKROGEA-HNNXBMFYSA-N -1 1 390.856 2.345 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2nc(Cl)ccc2F)c(-c2nn[n-]n2)c1C ZINC000826342204 607980601 /nfs/dbraw/zinc/98/06/01/607980601.db2.gz APMUTVBMFYAHQA-UHFFFAOYSA-N -1 1 394.750 2.060 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000826451293 607997729 /nfs/dbraw/zinc/99/77/29/607997729.db2.gz ZLHRHWWLXWFSOQ-UHFFFAOYSA-N -1 1 397.395 2.438 20 0 GEADMM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825812259 607998068 /nfs/dbraw/zinc/99/80/68/607998068.db2.gz JKXYLLZTSJJOLV-UHFFFAOYSA-N -1 1 378.392 2.197 20 0 GEADMM Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000826305692 607998084 /nfs/dbraw/zinc/99/80/84/607998084.db2.gz GCDDMNLYCVCHGW-KRWDZBQOSA-N -1 1 394.435 2.274 20 0 GEADMM O=C(NCCOc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826438665 608002714 /nfs/dbraw/zinc/00/27/14/608002714.db2.gz LZNDZDUCXFXCKQ-UHFFFAOYSA-N -1 1 384.343 2.151 20 0 GEADMM O=C(NCCOc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826438665 608002715 /nfs/dbraw/zinc/00/27/15/608002715.db2.gz LZNDZDUCXFXCKQ-UHFFFAOYSA-N -1 1 384.343 2.151 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(CC(F)F)CC1CCC1 ZINC000826495300 608055950 /nfs/dbraw/zinc/05/59/50/608055950.db2.gz KNSYGTZLEGIUSD-UHFFFAOYSA-N -1 1 375.376 2.062 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CC(F)F)CC1CCC1 ZINC000826495207 608056217 /nfs/dbraw/zinc/05/62/17/608056217.db2.gz HJMXPVARWBDAMQ-UHFFFAOYSA-N -1 1 375.376 2.062 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CC(F)F)CC1CCC1 ZINC000826495207 608056218 /nfs/dbraw/zinc/05/62/18/608056218.db2.gz HJMXPVARWBDAMQ-UHFFFAOYSA-N -1 1 375.376 2.062 20 0 GEADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826473342 608079848 /nfs/dbraw/zinc/07/98/48/608079848.db2.gz UGWFCJSTWOWWHX-INIZCTEOSA-N -1 1 385.811 2.439 20 0 GEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826451500 608108838 /nfs/dbraw/zinc/10/88/38/608108838.db2.gz JLFRTCCHHFJEQG-UHFFFAOYSA-N -1 1 382.771 2.263 20 0 GEADMM CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824080584 608111304 /nfs/dbraw/zinc/11/13/04/608111304.db2.gz YDWUQJWORPFEPE-MFKMUULPSA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824080584 608111305 /nfs/dbraw/zinc/11/13/05/608111305.db2.gz YDWUQJWORPFEPE-MFKMUULPSA-N -1 1 399.904 2.392 20 0 GEADMM Cc1ccc([C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)cc1 ZINC000826285898 608125194 /nfs/dbraw/zinc/12/51/94/608125194.db2.gz NEXZCFAECQSFHQ-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1ccc([C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)cc1 ZINC000826285898 608125195 /nfs/dbraw/zinc/12/51/95/608125195.db2.gz NEXZCFAECQSFHQ-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM C[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1nccs1 ZINC000824412523 608127162 /nfs/dbraw/zinc/12/71/62/608127162.db2.gz AFQBHMFWZXEYTG-SECBINFHSA-N -1 1 398.901 2.401 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000826327524 608131887 /nfs/dbraw/zinc/13/18/87/608131887.db2.gz KWKLKALTZXHLLK-CQSZACIVSA-N -1 1 396.499 2.353 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000826327524 608131888 /nfs/dbraw/zinc/13/18/88/608131888.db2.gz KWKLKALTZXHLLK-CQSZACIVSA-N -1 1 396.499 2.353 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000826467141 608143009 /nfs/dbraw/zinc/14/30/09/608143009.db2.gz IVTNONFRMCCMBS-UHFFFAOYSA-N -1 1 386.799 2.456 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000826467141 608143010 /nfs/dbraw/zinc/14/30/10/608143010.db2.gz IVTNONFRMCCMBS-UHFFFAOYSA-N -1 1 386.799 2.456 20 0 GEADMM Cc1ccncc1[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826315505 608157596 /nfs/dbraw/zinc/15/75/96/608157596.db2.gz LNUWKCKJRYKMNC-JTQLQIEISA-N -1 1 378.845 2.263 20 0 GEADMM Cc1ccncc1[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826315505 608157597 /nfs/dbraw/zinc/15/75/97/608157597.db2.gz LNUWKCKJRYKMNC-JTQLQIEISA-N -1 1 378.845 2.263 20 0 GEADMM Cc1nc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(Cl)cc2)no1 ZINC000826323956 608165236 /nfs/dbraw/zinc/16/52/36/608165236.db2.gz ZCUZUTDXZSMCTE-AWEZNQCLSA-N -1 1 396.798 2.126 20 0 GEADMM Cc1nc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(Cl)cc2)no1 ZINC000826323956 608165237 /nfs/dbraw/zinc/16/52/37/608165237.db2.gz ZCUZUTDXZSMCTE-AWEZNQCLSA-N -1 1 396.798 2.126 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826231642 608167679 /nfs/dbraw/zinc/16/76/79/608167679.db2.gz UADDOHVRJYEJAZ-MNOVXSKESA-N -1 1 388.497 2.406 20 0 GEADMM COc1ccc(-n2nc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2C)cc1 ZINC000826187082 608180383 /nfs/dbraw/zinc/18/03/83/608180383.db2.gz ZDEGIDNLFLITCO-UHFFFAOYSA-N -1 1 391.391 2.121 20 0 GEADMM COc1ccc(-n2nc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2C)cc1 ZINC000826187082 608180384 /nfs/dbraw/zinc/18/03/84/608180384.db2.gz ZDEGIDNLFLITCO-UHFFFAOYSA-N -1 1 391.391 2.121 20 0 GEADMM COCCN(Cc1ccc2c(c1)OCO2)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826159148 608190483 /nfs/dbraw/zinc/19/04/83/608190483.db2.gz SSPXPQAMTAMQFY-UHFFFAOYSA-N -1 1 394.844 2.358 20 0 GEADMM COCCN(Cc1ccc2c(c1)OCO2)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826159148 608190484 /nfs/dbraw/zinc/19/04/84/608190484.db2.gz SSPXPQAMTAMQFY-UHFFFAOYSA-N -1 1 394.844 2.358 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824113953 608197716 /nfs/dbraw/zinc/19/77/16/608197716.db2.gz GNYAFZVGTMHAHD-JOCQHMNTSA-N -1 1 388.428 2.254 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824113953 608197718 /nfs/dbraw/zinc/19/77/18/608197718.db2.gz GNYAFZVGTMHAHD-JOCQHMNTSA-N -1 1 388.428 2.254 20 0 GEADMM CCC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825029815 608210843 /nfs/dbraw/zinc/21/08/43/608210843.db2.gz ZZEJJKDSSSKCOA-WYMLVPIESA-N -1 1 394.483 2.365 20 0 GEADMM CCC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825029815 608210845 /nfs/dbraw/zinc/21/08/45/608210845.db2.gz ZZEJJKDSSSKCOA-WYMLVPIESA-N -1 1 394.483 2.365 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000825935028 608213418 /nfs/dbraw/zinc/21/34/18/608213418.db2.gz SFBXMNASIXNCJS-UHFFFAOYSA-N -1 1 399.846 2.012 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000825935028 608213420 /nfs/dbraw/zinc/21/34/20/608213420.db2.gz SFBXMNASIXNCJS-UHFFFAOYSA-N -1 1 399.846 2.012 20 0 GEADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427179 608250823 /nfs/dbraw/zinc/25/08/23/608250823.db2.gz IDNXSKOJYLSYSN-QGZVFWFLSA-N -1 1 375.367 2.315 20 0 GEADMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427179 608250824 /nfs/dbraw/zinc/25/08/24/608250824.db2.gz IDNXSKOJYLSYSN-QGZVFWFLSA-N -1 1 375.367 2.315 20 0 GEADMM O=C(CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[N-]OCc1ccccc1 ZINC000826410108 608262446 /nfs/dbraw/zinc/26/24/46/608262446.db2.gz BSGMXKLBMOPWCO-UHFFFAOYSA-N -1 1 390.447 2.204 20 0 GEADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826316953 608310016 /nfs/dbraw/zinc/31/00/16/608310016.db2.gz GHYYMXPEKOXIAX-UHFFFAOYSA-N -1 1 383.803 2.000 20 0 GEADMM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826316953 608310017 /nfs/dbraw/zinc/31/00/17/608310017.db2.gz GHYYMXPEKOXIAX-UHFFFAOYSA-N -1 1 383.803 2.000 20 0 GEADMM CCCCCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825271737 608339303 /nfs/dbraw/zinc/33/93/03/608339303.db2.gz NJYNSILMPANKLD-GFCCVEGCSA-N -1 1 390.492 2.232 20 0 GEADMM CCCCCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825271737 608339305 /nfs/dbraw/zinc/33/93/05/608339305.db2.gz NJYNSILMPANKLD-GFCCVEGCSA-N -1 1 390.492 2.232 20 0 GEADMM COc1ccc2c(C)cc3nnc(Sc4ccc(-c5nnn[n-]5)nn4)n3c2c1 ZINC000826211964 608390064 /nfs/dbraw/zinc/39/00/64/608390064.db2.gz BTFWRKNOBOXWMN-UHFFFAOYSA-N -1 1 391.420 2.321 20 0 GEADMM COc1ccc2c(C)cc3nnc(Sc4ccc(-c5nn[n-]n5)nn4)n3c2c1 ZINC000826211964 608390066 /nfs/dbraw/zinc/39/00/66/608390066.db2.gz BTFWRKNOBOXWMN-UHFFFAOYSA-N -1 1 391.420 2.321 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826483624 608412598 /nfs/dbraw/zinc/41/25/98/608412598.db2.gz UGZUJDVAOANGAF-INIZCTEOSA-N -1 1 396.842 2.262 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826483624 608412600 /nfs/dbraw/zinc/41/26/00/608412600.db2.gz UGZUJDVAOANGAF-INIZCTEOSA-N -1 1 396.842 2.262 20 0 GEADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(OCc2ccccc2)c1 ZINC000826502800 608433250 /nfs/dbraw/zinc/43/32/50/608433250.db2.gz KUFJGRJYYDANIT-GOSISDBHSA-N -1 1 389.419 2.381 20 0 GEADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(OCc2ccccc2)c1 ZINC000826502800 608433251 /nfs/dbraw/zinc/43/32/51/608433251.db2.gz KUFJGRJYYDANIT-GOSISDBHSA-N -1 1 389.419 2.381 20 0 GEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824651232 608435137 /nfs/dbraw/zinc/43/51/37/608435137.db2.gz XYBAIUWMGFXAHH-FZKQIMNGSA-N -1 1 381.440 2.394 20 0 GEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824651232 608435139 /nfs/dbraw/zinc/43/51/39/608435139.db2.gz XYBAIUWMGFXAHH-FZKQIMNGSA-N -1 1 381.440 2.394 20 0 GEADMM O[C@@H](CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC000826502460 608436341 /nfs/dbraw/zinc/43/63/41/608436341.db2.gz DBICXBLVGNREPG-INIZCTEOSA-N -1 1 379.449 2.458 20 0 GEADMM O[C@@H](CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC000826502460 608436343 /nfs/dbraw/zinc/43/63/43/608436343.db2.gz DBICXBLVGNREPG-INIZCTEOSA-N -1 1 379.449 2.458 20 0 GEADMM O=C(N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826426330 608509241 /nfs/dbraw/zinc/50/92/41/608509241.db2.gz LCZYZLBPNMWDRZ-UHFFFAOYSA-N -1 1 396.495 2.320 20 0 GEADMM O=C(N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826426330 608509242 /nfs/dbraw/zinc/50/92/42/608509242.db2.gz LCZYZLBPNMWDRZ-UHFFFAOYSA-N -1 1 396.495 2.320 20 0 GEADMM Cc1ccccc1C(=O)NC1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000826305863 608543869 /nfs/dbraw/zinc/54/38/69/608543869.db2.gz KFSZRUZNDCRMEH-UHFFFAOYSA-N -1 1 377.452 2.277 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000826280308 608544207 /nfs/dbraw/zinc/54/42/07/608544207.db2.gz XACJRMGMXAUCJG-AWEZNQCLSA-N -1 1 382.403 2.110 20 0 GEADMM CC(C)Oc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824332969 608548476 /nfs/dbraw/zinc/54/84/76/608548476.db2.gz BMKRBNWYVMAQIH-UHFFFAOYSA-N -1 1 399.459 2.056 20 0 GEADMM CC(C)Oc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824332969 608548478 /nfs/dbraw/zinc/54/84/78/608548478.db2.gz BMKRBNWYVMAQIH-UHFFFAOYSA-N -1 1 399.459 2.056 20 0 GEADMM CC(C)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824347953 608548708 /nfs/dbraw/zinc/54/87/08/608548708.db2.gz UVPOZUYVQFXJMR-UHFFFAOYSA-N -1 1 383.460 2.392 20 0 GEADMM CC(C)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824347953 608548711 /nfs/dbraw/zinc/54/87/11/608548711.db2.gz UVPOZUYVQFXJMR-UHFFFAOYSA-N -1 1 383.460 2.392 20 0 GEADMM CC(C)[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824192403 608557108 /nfs/dbraw/zinc/55/71/08/608557108.db2.gz JHTSIEGJIGTGQY-HNNXBMFYSA-N -1 1 396.499 2.393 20 0 GEADMM CC(C)[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824192403 608557109 /nfs/dbraw/zinc/55/71/09/608557109.db2.gz JHTSIEGJIGTGQY-HNNXBMFYSA-N -1 1 396.499 2.393 20 0 GEADMM COc1ccc(F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826208968 608581279 /nfs/dbraw/zinc/58/12/79/608581279.db2.gz IFBJNYGOZWFZTH-UHFFFAOYSA-N -1 1 386.387 2.303 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000826233139 608592478 /nfs/dbraw/zinc/59/24/78/608592478.db2.gz VGZHSNYMFDAUSK-UHFFFAOYSA-N -1 1 393.451 2.148 20 0 GEADMM CCOc1ccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000825638140 608607946 /nfs/dbraw/zinc/60/79/46/608607946.db2.gz GYMBTEVWRDGFLW-UHFFFAOYSA-N -1 1 394.439 2.320 20 0 GEADMM CCOc1ccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000825638140 608607947 /nfs/dbraw/zinc/60/79/47/608607947.db2.gz GYMBTEVWRDGFLW-UHFFFAOYSA-N -1 1 394.439 2.320 20 0 GEADMM Cc1nccn1CCCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000826232781 608630311 /nfs/dbraw/zinc/63/03/11/608630311.db2.gz IFOVPIQOYZZFLO-UHFFFAOYSA-N -1 1 399.455 2.045 20 0 GEADMM O=C(c1c(F)cccc1Cl)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826468974 608640844 /nfs/dbraw/zinc/64/08/44/608640844.db2.gz PFSLRBQVKMUTIN-UHFFFAOYSA-N -1 1 390.806 2.210 20 0 GEADMM O=C(c1c(F)cccc1Cl)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826468974 608640846 /nfs/dbraw/zinc/64/08/46/608640846.db2.gz PFSLRBQVKMUTIN-UHFFFAOYSA-N -1 1 390.806 2.210 20 0 GEADMM O=C(CCCc1ccccc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826406739 608661811 /nfs/dbraw/zinc/66/18/11/608661811.db2.gz KLMPKXVEAKOIHH-UHFFFAOYSA-N -1 1 380.452 2.127 20 0 GEADMM O=C(CCCc1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826406739 608661814 /nfs/dbraw/zinc/66/18/14/608661814.db2.gz KLMPKXVEAKOIHH-UHFFFAOYSA-N -1 1 380.452 2.127 20 0 GEADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)s2)CCN1Cc1ccc(Cl)cc1 ZINC000826481547 608718740 /nfs/dbraw/zinc/71/87/40/608718740.db2.gz ZGLPFTUOYWGFEH-UHFFFAOYSA-N -1 1 388.884 2.426 20 0 GEADMM c1cc(-c2nn[n-]n2)sc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000826521943 608721002 /nfs/dbraw/zinc/72/10/02/608721002.db2.gz DZSQXGKYUVGOAU-UHFFFAOYSA-N -1 1 378.465 2.126 20 0 GEADMM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826117383 608741296 /nfs/dbraw/zinc/74/12/96/608741296.db2.gz KPBCUXIVULEOLA-CQSZACIVSA-N -1 1 381.314 2.223 20 0 GEADMM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826117383 608741298 /nfs/dbraw/zinc/74/12/98/608741298.db2.gz KPBCUXIVULEOLA-CQSZACIVSA-N -1 1 381.314 2.223 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(C(C)(C)C)s1 ZINC000825000885 608839000 /nfs/dbraw/zinc/83/90/00/608839000.db2.gz VSSHXOUNDGKTSO-LBPRGKRZSA-N -1 1 399.528 2.121 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(C(C)(C)C)s1 ZINC000825000885 608839003 /nfs/dbraw/zinc/83/90/03/608839003.db2.gz VSSHXOUNDGKTSO-LBPRGKRZSA-N -1 1 399.528 2.121 20 0 GEADMM Brc1cc2c(cc1Cn1ccnc1-c1nn[n-]n1)OCCCO2 ZINC000823826652 609179679 /nfs/dbraw/zinc/17/96/79/609179679.db2.gz MDJJXFMESNDLCH-UHFFFAOYSA-N -1 1 377.202 2.035 20 0 GEADMM Brc1cc2c(cc1Cn1ccnc1-c1nnn[n-]1)OCCCO2 ZINC000823826652 609179677 /nfs/dbraw/zinc/17/96/77/609179677.db2.gz MDJJXFMESNDLCH-UHFFFAOYSA-N -1 1 377.202 2.035 20 0 GEADMM CC(=O)Nc1nc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000824005410 609278241 /nfs/dbraw/zinc/27/82/41/609278241.db2.gz QVMZXLLALATIFY-UHFFFAOYSA-N -1 1 399.415 2.219 20 0 GEADMM O=C(COC1CCCCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826416785 609288116 /nfs/dbraw/zinc/28/81/16/609288116.db2.gz PLKLTEHBDFJALV-UHFFFAOYSA-N -1 1 385.403 2.479 20 0 GEADMM Cc1noc(C)c1CCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826338960 609291274 /nfs/dbraw/zinc/29/12/74/609291274.db2.gz NAGCCIDVWGPFPI-UHFFFAOYSA-N -1 1 396.386 2.368 20 0 GEADMM CCCC1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000825252486 609300425 /nfs/dbraw/zinc/30/04/25/609300425.db2.gz IMWCKZARKFIMGZ-UHFFFAOYSA-N -1 1 389.508 2.105 20 0 GEADMM CCCC1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000825252486 609300426 /nfs/dbraw/zinc/30/04/26/609300426.db2.gz IMWCKZARKFIMGZ-UHFFFAOYSA-N -1 1 389.508 2.105 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000826472370 609301611 /nfs/dbraw/zinc/30/16/11/609301611.db2.gz ISKNLLKBBXPBEC-CYBMUJFWSA-N -1 1 397.382 2.494 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000826472370 609301612 /nfs/dbraw/zinc/30/16/12/609301612.db2.gz ISKNLLKBBXPBEC-CYBMUJFWSA-N -1 1 397.382 2.494 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824962180 609330556 /nfs/dbraw/zinc/33/05/56/609330556.db2.gz PPTALAZDHSZAOE-KCJUWKMLSA-N -1 1 393.366 2.254 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCCSC1 ZINC000826458259 609359991 /nfs/dbraw/zinc/35/99/91/609359991.db2.gz JOEOZMRVXYHJHN-SNVBAGLBSA-N -1 1 388.432 2.209 20 0 GEADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccccn1 ZINC000824505264 609360350 /nfs/dbraw/zinc/36/03/50/609360350.db2.gz AUXQMMCYHYLMBI-LLVKDONJSA-N -1 1 393.386 2.469 20 0 GEADMM CN(Cc1ccccn1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825985899 609361770 /nfs/dbraw/zinc/36/17/70/609361770.db2.gz FGXMODOZJNFILD-UHFFFAOYSA-N -1 1 393.386 2.250 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824641143 609398279 /nfs/dbraw/zinc/39/82/79/609398279.db2.gz SBEIVESHNMQJPQ-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824641143 609398280 /nfs/dbraw/zinc/39/82/80/609398280.db2.gz SBEIVESHNMQJPQ-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(-c3nn[nH]n3)cn2C)c1 ZINC000826256386 609399280 /nfs/dbraw/zinc/39/92/80/609399280.db2.gz GTTFZXWKBKBOTN-UHFFFAOYSA-N -1 1 377.202 2.234 20 0 GEADMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc2C1 ZINC000826146859 609469424 /nfs/dbraw/zinc/46/94/24/609469424.db2.gz GEUVGFDTFLDXFE-INIZCTEOSA-N -1 1 385.449 2.090 20 0 GEADMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)cc2C1 ZINC000826147332 609469708 /nfs/dbraw/zinc/46/97/08/609469708.db2.gz TUXSUWQXDTWRMJ-MRXNPFEDSA-N -1 1 385.449 2.090 20 0 GEADMM Cc1cc(NCc2ccnc(-c3nnn[n-]3)c2)ccc1-n1nnnc1C(C)C ZINC000826271132 609482115 /nfs/dbraw/zinc/48/21/15/609482115.db2.gz DYFPKUDLZWQOQW-UHFFFAOYSA-N -1 1 376.428 2.281 20 0 GEADMM Cc1cc(NCc2ccnc(-c3nn[n-]n3)c2)ccc1-n1nnnc1C(C)C ZINC000826271132 609482116 /nfs/dbraw/zinc/48/21/16/609482116.db2.gz DYFPKUDLZWQOQW-UHFFFAOYSA-N -1 1 376.428 2.281 20 0 GEADMM CCc1nn(CCCCC(=O)OC(C)(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762941 609487640 /nfs/dbraw/zinc/48/76/40/609487640.db2.gz LGYOOWGKBVPZGI-UHFFFAOYSA-N -1 1 376.461 2.060 20 0 GEADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000826519378 609496583 /nfs/dbraw/zinc/49/65/83/609496583.db2.gz WDEIJNJOJMVKON-AWEZNQCLSA-N -1 1 379.380 2.083 20 0 GEADMM c1cc(-c2nn[n-]n2)oc1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000826519378 609496584 /nfs/dbraw/zinc/49/65/84/609496584.db2.gz WDEIJNJOJMVKON-AWEZNQCLSA-N -1 1 379.380 2.083 20 0 GEADMM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824378097 609527272 /nfs/dbraw/zinc/52/72/72/609527272.db2.gz YMNHDTUODBFLSI-SECBINFHSA-N -1 1 393.860 2.488 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2csc(Cc3cccc(F)c3)n2)n1 ZINC000826357339 609591886 /nfs/dbraw/zinc/59/18/86/609591886.db2.gz BDOBDFJMJUJNJI-UHFFFAOYSA-N -1 1 384.400 2.039 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2csc(Cc3cccc(F)c3)n2)n1 ZINC000826357339 609591888 /nfs/dbraw/zinc/59/18/88/609591888.db2.gz BDOBDFJMJUJNJI-UHFFFAOYSA-N -1 1 384.400 2.039 20 0 GEADMM C[C@H]1C[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824882376 609611594 /nfs/dbraw/zinc/61/15/94/609611594.db2.gz ARGBTLPMMODIHE-QWRGUYRKSA-N -1 1 385.877 2.004 20 0 GEADMM C[C@H]1C[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824882376 609611596 /nfs/dbraw/zinc/61/15/96/609611596.db2.gz ARGBTLPMMODIHE-QWRGUYRKSA-N -1 1 385.877 2.004 20 0 GEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000447337422 650005792 /nfs/dbraw/zinc/00/57/92/650005792.db2.gz GVDFWGGBHAEAGB-UHFFFAOYSA-N -1 1 390.826 2.155 20 0 GEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000447341252 650005859 /nfs/dbraw/zinc/00/58/59/650005859.db2.gz ODUOMADBXQTKGD-UHFFFAOYSA-N -1 1 389.842 2.342 20 0 GEADMM CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2[O-])CCN1C[C@H](C)O ZINC000450024910 650058379 /nfs/dbraw/zinc/05/83/79/650058379.db2.gz IQALLVWARPVZIO-WDEREUQCSA-N -1 1 389.265 2.211 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C(CC(C)C)CC(C)C ZINC000450316042 650063835 /nfs/dbraw/zinc/06/38/35/650063835.db2.gz YJMSLOGNEDAFGS-UHFFFAOYSA-N -1 1 391.559 2.260 20 0 GEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000451098467 650086024 /nfs/dbraw/zinc/08/60/24/650086024.db2.gz XGCVRGMQXKKJEN-UHFFFAOYSA-N -1 1 387.454 2.219 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(F)c1 ZINC000451278127 650100487 /nfs/dbraw/zinc/10/04/87/650100487.db2.gz CAOASDKZGZGUMO-VXGBXAGGSA-N -1 1 378.491 2.254 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000451355989 650106900 /nfs/dbraw/zinc/10/69/00/650106900.db2.gz WLNFQLKZYLTELX-OLUVUFQESA-N -1 1 379.837 2.180 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)C2)c(F)c1 ZINC000451438584 650113934 /nfs/dbraw/zinc/11/39/34/650113934.db2.gz WJFSOJYTCUFQMC-RYUDHWBXSA-N -1 1 378.491 2.444 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(SC)CC2)c(F)c1 ZINC000451467447 650118063 /nfs/dbraw/zinc/11/80/63/650118063.db2.gz AVFDKLOZPAHITM-UHFFFAOYSA-N -1 1 396.531 2.151 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](F)C2)c(F)c1 ZINC000451558633 650124864 /nfs/dbraw/zinc/12/48/64/650124864.db2.gz ZVCIRHISKMNMES-GHMZBOCLSA-N -1 1 382.454 2.146 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2CC)c(OC)c1 ZINC000451825098 650145547 /nfs/dbraw/zinc/14/55/47/650145547.db2.gz NKVILYYYWHDDDB-OLZOCXBDSA-N -1 1 390.527 2.171 20 0 GEADMM Cn1cc(Br)c(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)n1 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ZINC000416511847 648154527 /nfs/dbraw/zinc/15/45/27/648154527.db2.gz ZCQKXCGPTSCDHT-LBPRGKRZSA-N -1 1 383.436 2.295 20 0 GEADMM COc1ccc([C@@H](CO)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000416557123 648170330 /nfs/dbraw/zinc/17/03/30/648170330.db2.gz NBIXQDKCKUGJJM-LLVKDONJSA-N -1 1 375.368 2.167 20 0 GEADMM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000416589590 648178978 /nfs/dbraw/zinc/17/89/78/648178978.db2.gz RSMCALHMYQZXSF-SNVBAGLBSA-N -1 1 385.335 2.344 20 0 GEADMM COc1c(Br)cc(Br)cc1CNCCOCC(=O)[O-] ZINC000417623103 648257068 /nfs/dbraw/zinc/25/70/68/648257068.db2.gz MRUNPFGYOBSJEW-UHFFFAOYSA-N -1 1 397.063 2.411 20 0 GEADMM Cc1cc(S(N)(=O)=O)sc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000509754753 648299845 /nfs/dbraw/zinc/29/98/45/648299845.db2.gz IVGXIKGTWCUVJL-UHFFFAOYSA-N -1 1 380.476 2.475 20 0 GEADMM CO[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(C)C ZINC000420108417 648401933 /nfs/dbraw/zinc/40/19/33/648401933.db2.gz XGIBLVNIERHRSP-NSHDSACASA-N -1 1 397.324 2.449 20 0 GEADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)s1 ZINC000420739567 648446380 /nfs/dbraw/zinc/44/63/80/648446380.db2.gz QBAKQIZDZDPOHJ-UHFFFAOYSA-N -1 1 387.435 2.010 20 0 GEADMM COC(=O)CCS(=O)(=O)[N-]c1cnn(Cc2cc(F)ccc2Cl)c1 ZINC000424091324 648612542 /nfs/dbraw/zinc/61/25/42/648612542.db2.gz ZFJRCEXQUPYGJO-UHFFFAOYSA-N -1 1 375.809 2.029 20 0 GEADMM Cc1nc([C@H](C)S(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)no1 ZINC000424206316 648618062 /nfs/dbraw/zinc/61/80/62/648618062.db2.gz NCWMPBDRZMFVQN-LURJTMIESA-N -1 1 386.231 2.255 20 0 GEADMM Cc1nc([C@H](C)S(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)no1 ZINC000424206316 648618073 /nfs/dbraw/zinc/61/80/73/648618073.db2.gz NCWMPBDRZMFVQN-LURJTMIESA-N -1 1 386.231 2.255 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCCS(=O)(=O)c2ccccc2)c(F)c1 ZINC000425151748 648664494 /nfs/dbraw/zinc/66/44/94/648664494.db2.gz AADIZKNAFFILDM-UHFFFAOYSA-N -1 1 389.445 2.416 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCCC(=O)N2Cc3ccccc3C2)sc1C ZINC000435211998 648783422 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Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000439146739 648809544 /nfs/dbraw/zinc/80/95/44/648809544.db2.gz NUNSNDPEMYGHFL-UHFFFAOYSA-N -1 1 381.801 2.077 20 0 GEADMM COc1cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc(OC)c1O ZINC000443189537 648866953 /nfs/dbraw/zinc/86/69/53/648866953.db2.gz KQGZAWSMZKCUIY-UHFFFAOYSA-N -1 1 377.340 2.305 20 0 GEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CCO)cc1 ZINC000548149971 651065886 /nfs/dbraw/zinc/06/58/86/651065886.db2.gz SOMIADGARBURJI-UHFFFAOYSA-N -1 1 389.882 2.215 20 0 GEADMM O=C([O-])c1ccc(-n2cnnc2)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000548559099 651080200 /nfs/dbraw/zinc/08/02/00/651080200.db2.gz JFDJDNZVAMRMGA-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCOCC1 ZINC000550883594 651116212 /nfs/dbraw/zinc/11/62/12/651116212.db2.gz QPQNYOYZNIRODK-CQSZACIVSA-N -1 1 379.837 2.116 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCOCC1 ZINC000550883593 651116218 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NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(Oc3ccc(Cl)cc3)CC2)c1 ZINC000559620938 651299055 /nfs/dbraw/zinc/29/90/55/651299055.db2.gz XYYMBBYNXJJDSI-UHFFFAOYSA-N -1 1 382.825 2.243 20 0 GEADMM CS(=O)(=O)c1nc(NC(=O)c2ccc(C3SCCCS3)cc2)n[n-]1 ZINC000725894565 651482321 /nfs/dbraw/zinc/48/23/21/651482321.db2.gz WTWRBCNTKSOZAP-UHFFFAOYSA-N -1 1 384.508 2.329 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(C3SCCCS3)cc2)n1 ZINC000725894565 651482323 /nfs/dbraw/zinc/48/23/23/651482323.db2.gz WTWRBCNTKSOZAP-UHFFFAOYSA-N -1 1 384.508 2.329 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCO[C@H]2CCCCO2)c1F ZINC000603345827 651483058 /nfs/dbraw/zinc/48/30/58/651483058.db2.gz TZMSUZHYCQVNPZ-ZDUSSCGKSA-N -1 1 395.836 2.087 20 0 GEADMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CCOCC1 ZINC000603387463 651488302 /nfs/dbraw/zinc/48/83/02/651488302.db2.gz OMHNMKZTFLQYLE-LLVKDONJSA-N -1 1 383.457 2.088 20 0 GEADMM O=C(COc1ccc(Br)cc1F)NC1(c2nn[n-]n2)CCCC1 ZINC000605381956 651535825 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CCn1ncnc1CN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000565112023 651588624 /nfs/dbraw/zinc/58/86/24/651588624.db2.gz PAFIFMHKBVAYRE-UONOGXRCSA-N -1 1 379.258 2.361 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cccnc1)c1cccc(Br)c1 ZINC000731040927 651617099 /nfs/dbraw/zinc/61/70/99/651617099.db2.gz QNHBCKNFKYSYQF-OAHLLOKOSA-N -1 1 399.266 2.211 20 0 GEADMM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645560283 651620441 /nfs/dbraw/zinc/62/04/41/651620441.db2.gz WGRBGTNQCDMDSB-GFCCVEGCSA-N -1 1 376.356 2.121 20 0 GEADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000609795977 651631580 /nfs/dbraw/zinc/63/15/80/651631580.db2.gz IBGWGDUUXKOYTC-DEOSSOPVSA-N -1 1 378.475 2.117 20 0 GEADMM O=S(=O)(Cc1cc(Cl)ccc1Br)[N-]C[C@@H](O)C(F)(F)F ZINC000645679284 651636324 /nfs/dbraw/zinc/63/63/24/651636324.db2.gz YSQFWAQQKRPTJF-SECBINFHSA-N -1 1 396.612 2.445 20 0 GEADMM CNc1cc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc(Cl)n1 ZINC000731875678 651637004 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/nfs/dbraw/zinc/80/76/27/653807627.db2.gz JATAYHYWDMAFCR-VIFPVBQESA-N -1 1 385.713 2.457 20 0 GEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1C ZINC000844657429 653811762 /nfs/dbraw/zinc/81/17/62/653811762.db2.gz QYYBOLXAYIFUCJ-HNNXBMFYSA-N -1 1 391.511 2.013 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000882832166 653812765 /nfs/dbraw/zinc/81/27/65/653812765.db2.gz YSKXUGWZJHNINV-JBEBIEQOSA-N -1 1 388.511 2.012 20 0 GEADMM CNC(=O)C1([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)CCOCC1 ZINC000895123772 653819711 /nfs/dbraw/zinc/81/97/11/653819711.db2.gz ZDYPRXOXHXPBSU-UHFFFAOYSA-N -1 1 381.206 2.497 20 0 GEADMM CC(C)C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC(C)C ZINC000866788944 653826463 /nfs/dbraw/zinc/82/64/63/653826463.db2.gz HXCSDGXFXWKLSC-JTQLQIEISA-N -1 1 385.408 2.084 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(=O)N1CCCC1 ZINC000866790284 653826619 /nfs/dbraw/zinc/82/66/19/653826619.db2.gz QUIXWIGGFWSEGE-LBPRGKRZSA-N -1 1 380.297 2.314 20 0 GEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866791519 653826762 /nfs/dbraw/zinc/82/67/62/653826762.db2.gz CWBLOIXDQOHWQD-GXSJLCMTSA-N -1 1 380.297 2.314 20 0 GEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3(Br)CC3)c2)n1 ZINC000822536456 653831058 /nfs/dbraw/zinc/83/10/58/653831058.db2.gz RMVLLNWVAOMJOW-UHFFFAOYSA-N -1 1 393.241 2.192 20 0 GEADMM C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000866854408 653838358 /nfs/dbraw/zinc/83/83/58/653838358.db2.gz IKHCNHNMFSVHLS-NXEZZACHSA-N -1 1 375.206 2.230 20 0 GEADMM Cc1c(Br)cc(N)cc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000792405485 653842054 /nfs/dbraw/zinc/84/20/54/653842054.db2.gz WMRDNSCREFYNQQ-UHFFFAOYSA-N -1 1 391.221 2.453 20 0 GEADMM CN(CC1(O)CCCC1)C(=O)c1ccc(I)cc1[O-] ZINC000866922469 653849926 /nfs/dbraw/zinc/84/99/26/653849926.db2.gz YNTMHTCFYCJEKH-UHFFFAOYSA-N -1 1 375.206 2.374 20 0 GEADMM CCOc1cccc(C[N-]S(=O)(=O)N=[S@](C)(=O)CC)c1OC(F)F ZINC000866948582 653853590 /nfs/dbraw/zinc/85/35/90/653853590.db2.gz KJRNMVDNCVAMOJ-HSZRJFAPSA-N -1 1 386.442 2.139 20 0 GEADMM CC[C@]1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CCNC1=O ZINC000866977898 653859314 /nfs/dbraw/zinc/85/93/14/653859314.db2.gz WVMRBBWRVMCWKX-HNNXBMFYSA-N -1 1 382.214 2.381 20 0 GEADMM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866999950 653862969 /nfs/dbraw/zinc/86/29/69/653862969.db2.gz CBSLMPSPNXWKMG-IUCAKERBSA-N -1 1 383.417 2.291 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(I)cc1 ZINC000823379805 653866087 /nfs/dbraw/zinc/86/60/87/653866087.db2.gz JHIXKYQPOLRPSW-UHFFFAOYSA-N -1 1 398.189 2.180 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(I)cc1 ZINC000823379805 653866092 /nfs/dbraw/zinc/86/60/92/653866092.db2.gz JHIXKYQPOLRPSW-UHFFFAOYSA-N -1 1 398.189 2.180 20 0 GEADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCOC1)c1nc[nH]c1Br ZINC000867048443 653870853 /nfs/dbraw/zinc/87/08/53/653870853.db2.gz APOKQMUTHPDTLU-NEPJUHHUSA-N -1 1 386.271 2.228 20 0 GEADMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCO1 ZINC000867052500 653871607 /nfs/dbraw/zinc/87/16/07/653871607.db2.gz MDTFVRWFLPUMGM-XTAIUZINSA-N -1 1 378.491 2.320 20 0 GEADMM O[C@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1cccs1 ZINC000823673120 653876395 /nfs/dbraw/zinc/87/63/95/653876395.db2.gz IOEOOJTZPXWMNE-DTWKUNHWSA-N -1 1 398.901 2.367 20 0 GEADMM O[C@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1cccs1 ZINC000823673120 653876398 /nfs/dbraw/zinc/87/63/98/653876398.db2.gz IOEOOJTZPXWMNE-DTWKUNHWSA-N -1 1 398.901 2.367 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c(C)cc1F ZINC000793395687 653877412 /nfs/dbraw/zinc/87/74/12/653877412.db2.gz VKJKBXBVMRJLMN-XMMPIXPASA-N -1 1 385.438 2.459 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccccc2Cl)c1C(F)(F)F ZINC000867111459 653880525 /nfs/dbraw/zinc/88/05/25/653880525.db2.gz FXOAVHBNWWFAMQ-CYBMUJFWSA-N -1 1 397.806 2.278 20 0 GEADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867155832 653887264 /nfs/dbraw/zinc/88/72/64/653887264.db2.gz GOYBNAGCKUEYCG-ZETCQYMHSA-N -1 1 378.214 2.438 20 0 GEADMM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1nc[nH]c1Br ZINC000867158470 653887575 /nfs/dbraw/zinc/88/75/75/653887575.db2.gz HDOJDLCCCHJTLF-VIFPVBQESA-N -1 1 376.207 2.113 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000867192725 653891589 /nfs/dbraw/zinc/89/15/89/653891589.db2.gz UQDXJRKTQMTDAV-TZMCWYRMSA-N -1 1 395.308 2.059 20 0 GEADMM O=C([O-])c1cn([C@H]2CCCN(C[C@@H](O)c3cccc(Br)c3)C2)nn1 ZINC000846285552 653894829 /nfs/dbraw/zinc/89/48/29/653894829.db2.gz PKXIGCQIPAINTF-DZGCQCFKSA-N -1 1 395.257 2.109 20 0 GEADMM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2nc[nH]c2Br)cc1 ZINC000867221617 653897479 /nfs/dbraw/zinc/89/74/79/653897479.db2.gz BNWBQTFCIACVDX-NWDGAFQWSA-N -1 1 386.271 2.405 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCOc2c(Br)cccc21 ZINC000867230977 653898837 /nfs/dbraw/zinc/89/88/37/653898837.db2.gz RHIKUCRMAQKYRT-PRWKNARSSA-N -1 1 397.316 2.225 20 0 GEADMM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(I)cc1[O-] ZINC000867233628 653899432 /nfs/dbraw/zinc/89/94/32/653899432.db2.gz WJRXMLWHYHFGGT-SKDRFNHKSA-N -1 1 375.206 2.372 20 0 GEADMM CSCCO[N-]C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000794188016 653899507 /nfs/dbraw/zinc/89/95/07/653899507.db2.gz NPUWHBRUFOBXHL-LBPRGKRZSA-N -1 1 376.400 2.465 20 0 GEADMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCCC1 ZINC000867264518 653905230 /nfs/dbraw/zinc/90/52/30/653905230.db2.gz NYWQTGHBXUDUDN-UHFFFAOYSA-N -1 1 387.310 2.024 20 0 GEADMM O=S(=O)([N-]C[C@H]1CC[C@H](c2ccccc2)O1)c1nc[nH]c1Br ZINC000867274876 653907421 /nfs/dbraw/zinc/90/74/21/653907421.db2.gz MHLPDIFSWCIISX-VXGBXAGGSA-N -1 1 386.271 2.371 20 0 GEADMM O=S(=O)([N-]C[C@H]1CC[C@@H](c2ccccc2)O1)c1nc[nH]c1Br ZINC000867280091 653908504 /nfs/dbraw/zinc/90/85/04/653908504.db2.gz MHLPDIFSWCIISX-NEPJUHHUSA-N -1 1 386.271 2.371 20 0 GEADMM O=C([N-]C[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)C1)C(F)(F)F ZINC000867282383 653908877 /nfs/dbraw/zinc/90/88/77/653908877.db2.gz MZOWTSGZQCWWOO-GHMZBOCLSA-N -1 1 392.390 2.142 20 0 GEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccns1 ZINC000885074524 653910244 /nfs/dbraw/zinc/91/02/44/653910244.db2.gz RBHFTXYCWUOGSY-SNVBAGLBSA-N -1 1 380.413 2.291 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1ccns1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000885077155 653910640 /nfs/dbraw/zinc/91/06/40/653910640.db2.gz NPWUVDVVLCQAAK-HOCLYGCPSA-N -1 1 377.495 2.390 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N-]S(=O)(=O)c2ccns2)C1 ZINC000885102729 653912510 /nfs/dbraw/zinc/91/25/10/653912510.db2.gz ZSEUCAZIBWTNBS-HNNXBMFYSA-N -1 1 375.516 2.459 20 0 GEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)[C@H]1n1cccn1 ZINC000867313618 653914274 /nfs/dbraw/zinc/91/42/74/653914274.db2.gz LSTNGCPPRNQVNI-NQBHXWOUSA-N -1 1 391.280 2.282 20 0 GEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)C(F)(F)F ZINC000794766526 653919831 /nfs/dbraw/zinc/91/98/31/653919831.db2.gz JRXPSJSITADXHZ-YFKPBYRVSA-N -1 1 381.159 2.320 20 0 GEADMM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2nc[nH]c2Br)c1 ZINC000867371960 653924030 /nfs/dbraw/zinc/92/40/30/653924030.db2.gz IJOHTVJPNCFCIL-MRVPVSSYSA-N -1 1 392.250 2.229 20 0 GEADMM CC1(C)C[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CCO1 ZINC000867377708 653924914 /nfs/dbraw/zinc/92/49/14/653924914.db2.gz LIASXPUFPRCNAP-SFDCACGMSA-N -1 1 378.491 2.322 20 0 GEADMM CC[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000885385652 653930610 /nfs/dbraw/zinc/93/06/10/653930610.db2.gz MHMORMXMYSNZFS-SFYZADRCSA-N -1 1 387.811 2.335 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-][C@@H](C)c1nc(C(F)(F)F)no1)c1ccccc1 ZINC000867425883 653931059 /nfs/dbraw/zinc/93/10/59/653931059.db2.gz HLNVLBOIDNYBNI-GXSJLCMTSA-N -1 1 379.360 2.457 20 0 GEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)Cc1cc(C)ccc1Br ZINC000867458851 653935207 /nfs/dbraw/zinc/93/52/07/653935207.db2.gz OMYDOEPIEGVQKR-GFCCVEGCSA-N -1 1 382.251 2.078 20 0 GEADMM CCc1nn(Cc2nc(Cl)ccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762710 653939653 /nfs/dbraw/zinc/93/96/53/653939653.db2.gz GZRYLRYNZIUICK-UHFFFAOYSA-N -1 1 380.239 2.298 20 0 GEADMM O=S(=O)(Cc1ncsc1Br)[N-]Cc1cc(C2CC2)no1 ZINC000885597457 653939902 /nfs/dbraw/zinc/93/99/02/653939902.db2.gz RIVUOVQAWRQRPW-UHFFFAOYSA-N -1 1 378.273 2.391 20 0 GEADMM O=S(=O)([N-][C@@H](CO)CC1CCC1)c1cc(Br)cnc1Cl ZINC000795278114 653942250 /nfs/dbraw/zinc/94/22/50/653942250.db2.gz JPUYXYDGWLMQNK-SNVBAGLBSA-N -1 1 383.695 2.327 20 0 GEADMM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CSCc2ccc(Br)cc21 ZINC000867514193 653943014 /nfs/dbraw/zinc/94/30/14/653943014.db2.gz PEVIEVOYJVBIHE-NSHDSACASA-N -1 1 399.357 2.299 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1ccccc1 ZINC000867534311 653947183 /nfs/dbraw/zinc/94/71/83/653947183.db2.gz ZWOZHUCVENWKGV-JDVWUOGWSA-N -1 1 380.466 2.455 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccccc2Br)c1-c1nnn[n-]1 ZINC000826345652 653949687 /nfs/dbraw/zinc/94/96/87/653949687.db2.gz QABSZJIZEIIMNY-QMMMGPOBSA-N -1 1 391.229 2.346 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccccc2Br)c1-c1nn[n-]n1 ZINC000826345652 653949688 /nfs/dbraw/zinc/94/96/88/653949688.db2.gz QABSZJIZEIIMNY-QMMMGPOBSA-N -1 1 391.229 2.346 20 0 GEADMM COC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000885767653 653952994 /nfs/dbraw/zinc/95/29/94/653952994.db2.gz BLRUCXMDMOKZOJ-JSGCOSHPSA-N -1 1 379.837 2.009 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H]2CCSC2)c(Br)o1 ZINC000867575829 653954656 /nfs/dbraw/zinc/95/46/56/653954656.db2.gz YHPFUIJIFMFDEM-QMMMGPOBSA-N -1 1 398.300 2.250 20 0 GEADMM CCOC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000885774152 653956052 /nfs/dbraw/zinc/95/60/52/653956052.db2.gz GUWMIWFUJBNLAM-ZFWWWQNUSA-N -1 1 393.864 2.399 20 0 GEADMM CCOC(=O)[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000885774632 653956405 /nfs/dbraw/zinc/95/64/05/653956405.db2.gz UMCPAWFNVYDHJW-GHMZBOCLSA-N -1 1 397.280 2.168 20 0 GEADMM O=S(=O)([N-]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(Cl)nc1Cl ZINC000867603778 653959698 /nfs/dbraw/zinc/95/96/98/653959698.db2.gz JIOGQJNAAOPBQF-SSDOTTSWSA-N -1 1 390.174 2.062 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)c(Br)o1 ZINC000867625194 653964033 /nfs/dbraw/zinc/96/40/33/653964033.db2.gz ILIAIJCSEWMTGB-SDBXPKJASA-N -1 1 378.244 2.440 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncc(Cl)n2C)c(F)cc1Cl ZINC000795819265 653968309 /nfs/dbraw/zinc/96/83/09/653968309.db2.gz JOULQZMJYUMIRP-UHFFFAOYSA-N -1 1 396.227 2.131 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)c(F)cc1Cl ZINC000795830537 653969115 /nfs/dbraw/zinc/96/91/15/653969115.db2.gz ZPMKXGHYSRQQQQ-MRVPVSSYSA-N -1 1 395.836 2.274 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)c(F)cc1Cl ZINC000795845716 653969924 /nfs/dbraw/zinc/96/99/24/653969924.db2.gz OBQPVIPKVIBGCV-HSZRJFAPSA-N -1 1 399.893 2.091 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2CO)c(F)cc1Cl ZINC000795854094 653971182 /nfs/dbraw/zinc/97/11/82/653971182.db2.gz JTQFOIRSNWHXTG-UHFFFAOYSA-N -1 1 387.816 2.237 20 0 GEADMM Cc1[nH]nc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1Br ZINC000848341679 653971514 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COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)c(F)cc1Cl ZINC000795913712 653977221 /nfs/dbraw/zinc/97/72/21/653977221.db2.gz WXCYWYQLIDTEDS-LBPRGKRZSA-N -1 1 393.845 2.339 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC2(COC)CC2)c(F)cc1Cl ZINC000848478388 653980308 /nfs/dbraw/zinc/98/03/08/653980308.db2.gz MGJWCERBDWNHAR-UHFFFAOYSA-N -1 1 379.837 2.361 20 0 GEADMM O=C(N1CCC[C@H](c2nn[n-]n2)C1)C(F)(F)c1ccccc1Br ZINC000827224936 653981797 /nfs/dbraw/zinc/98/17/97/653981797.db2.gz KIVJXZHBDAAJNS-VIFPVBQESA-N -1 1 386.200 2.460 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C1CCCCCC1 ZINC000848510049 653984420 /nfs/dbraw/zinc/98/44/20/653984420.db2.gz QTCPLSNOOHNAQA-LBPRGKRZSA-N -1 1 377.894 2.254 20 0 GEADMM O=S(=O)([N-]C[C@H]1CC2(CO1)CCOCC2)c1sccc1Br ZINC000867779026 653984540 /nfs/dbraw/zinc/98/45/40/653984540.db2.gz PFEXRQYWOXRXMD-SNVBAGLBSA-N -1 1 396.328 2.375 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cnc1C ZINC000886433337 653985486 /nfs/dbraw/zinc/98/54/86/653985486.db2.gz 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CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2occc2Br)o1 ZINC000914230685 654837089 /nfs/dbraw/zinc/83/70/89/654837089.db2.gz ZZVOUQRFCZIOJF-UHFFFAOYSA-N -1 1 378.200 2.290 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c1F ZINC000914299755 654843118 /nfs/dbraw/zinc/84/31/18/654843118.db2.gz ZJANGRHTPKYYCH-MGCOHNPYSA-N -1 1 396.278 2.426 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c1F ZINC000914401213 654851601 /nfs/dbraw/zinc/85/16/01/654851601.db2.gz FOYFSTAQOJFNBJ-MWLCHTKSSA-N -1 1 396.278 2.426 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c1F ZINC000914401211 654851650 /nfs/dbraw/zinc/85/16/50/654851650.db2.gz FOYFSTAQOJFNBJ-GXSJLCMTSA-N -1 1 396.278 2.426 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)c1F ZINC000914425396 654853517 /nfs/dbraw/zinc/85/35/17/654853517.db2.gz WLDDJZSIMLDXAM-BDAKNGLRSA-N -1 1 382.251 2.036 20 0 GEADMM O=S(=O)(CC1(F)CC1)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000915083547 654862789 /nfs/dbraw/zinc/86/27/89/654862789.db2.gz 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CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000007054906 531537024 /nfs/dbraw/zinc/53/70/24/531537024.db2.gz VNKPBQYQPZLRAU-UHFFFAOYSA-N -1 1 394.396 2.414 20 0 GEADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000024242899 531602400 /nfs/dbraw/zinc/60/24/00/531602400.db2.gz CGWUSOQLQISCLF-UHFFFAOYSA-N -1 1 376.406 2.016 20 0 GEADMM O=C1CNC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028253671 531630539 /nfs/dbraw/zinc/63/05/39/531630539.db2.gz IZNLXRMDNOZDHM-UHFFFAOYSA-N -1 1 379.825 2.193 20 0 GEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000155012785 531648939 /nfs/dbraw/zinc/64/89/39/531648939.db2.gz IMFQAOXGTFPQLO-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2Br)o1 ZINC000032679950 531654907 /nfs/dbraw/zinc/65/49/07/531654907.db2.gz ZGAPGDLLCSDOAC-UHFFFAOYSA-N -1 1 387.255 2.222 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2Cl)co1 ZINC000158082019 531764248 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CSc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000064467781 531865779 /nfs/dbraw/zinc/86/57/79/531865779.db2.gz XZMANLWIBBLSKL-UHFFFAOYSA-N -1 1 386.520 2.460 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC000164808943 531869464 /nfs/dbraw/zinc/86/94/64/531869464.db2.gz UQEKQLAMJPOPIH-UHFFFAOYSA-N -1 1 380.491 2.193 20 0 GEADMM O=C(NCc1cccc(CO)c1)c1cc(I)ccc1[O-] ZINC000170925335 531894494 /nfs/dbraw/zinc/89/44/94/531894494.db2.gz HWDZOBIANKRWKC-UHFFFAOYSA-N -1 1 383.185 2.419 20 0 GEADMM C[C@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000067718043 531889163 /nfs/dbraw/zinc/88/91/63/531889163.db2.gz NJFDMRTVLNMUNY-GFCCVEGCSA-N -1 1 386.470 2.279 20 0 GEADMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000068216172 531901673 /nfs/dbraw/zinc/90/16/73/531901673.db2.gz YHHPODGLGJEWNX-UHFFFAOYSA-N -1 1 395.234 2.442 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1CC(F)(F)F ZINC000112092563 531944460 /nfs/dbraw/zinc/94/44/60/531944460.db2.gz 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532057742 /nfs/dbraw/zinc/05/77/42/532057742.db2.gz XLHISURMDYTPRE-DEOSSOPVSA-N -1 1 378.475 2.352 20 0 GEADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000122520008 532073346 /nfs/dbraw/zinc/07/33/46/532073346.db2.gz VCKJETWDZLBEOE-VIFPVBQESA-N -1 1 399.266 2.293 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1Br ZINC000174711719 532074258 /nfs/dbraw/zinc/07/42/58/532074258.db2.gz AYAWMEXHQHZVIW-UHFFFAOYSA-N -1 1 399.266 2.489 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1C(F)(F)F ZINC000174756789 532077229 /nfs/dbraw/zinc/07/72/29/532077229.db2.gz ITVMNKVBUHISHQ-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2csc(Br)c2)co1 ZINC000122763179 532082358 /nfs/dbraw/zinc/08/23/58/532082358.db2.gz YTPQHIHZDKYQJD-UHFFFAOYSA-N -1 1 393.284 2.284 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000174950662 532084714 /nfs/dbraw/zinc/08/47/14/532084714.db2.gz WUERIGFZXXCRQB-UHFFFAOYSA-N -1 1 378.885 2.416 20 0 GEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1cc(F)ccc1Cl ZINC000123467308 532099887 /nfs/dbraw/zinc/09/98/87/532099887.db2.gz CYVPUJVMPGTUQJ-GFCCVEGCSA-N -1 1 375.830 2.286 20 0 GEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(Cl)c1F ZINC000123465833 532100698 /nfs/dbraw/zinc/10/06/98/532100698.db2.gz NKPWXWMNJNTSCN-LLVKDONJSA-N -1 1 375.830 2.286 20 0 GEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1cc(F)ccc1Cl ZINC000123467547 532100761 /nfs/dbraw/zinc/10/07/61/532100761.db2.gz CYVPUJVMPGTUQJ-LBPRGKRZSA-N -1 1 375.830 2.286 20 0 GEADMM C[C@@H](CN(C)C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nn[n-]n1 ZINC000124343852 532119005 /nfs/dbraw/zinc/11/90/05/532119005.db2.gz HGEXIIRSWUPKGY-VIFPVBQESA-N -1 1 377.246 2.248 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000124130304 532114655 /nfs/dbraw/zinc/11/46/55/532114655.db2.gz KZUWPFKQBZESNV-UHFFFAOYSA-N -1 1 392.786 2.466 20 0 GEADMM Cc1cc(C(=O)NCCCc2nc(=O)[n-][nH]2)c2ccc(Br)cc2n1 ZINC000176252683 532131725 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C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)co1 ZINC000132055745 532208874 /nfs/dbraw/zinc/20/88/74/532208874.db2.gz XWGZTSCYKHBCLV-UHFFFAOYSA-N -1 1 380.813 2.279 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000179307752 532228291 /nfs/dbraw/zinc/22/82/91/532228291.db2.gz NXGCOGLGDOXQDN-UHFFFAOYSA-N -1 1 399.669 2.046 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(F)ccc2Br)co1 ZINC000179331296 532228492 /nfs/dbraw/zinc/22/84/92/532228492.db2.gz KZWJCACXXSPZFJ-UHFFFAOYSA-N -1 1 391.218 2.019 20 0 GEADMM O=C(N1CCC[C@H](c2nn[n-]n2)C1)C1(c2cccc(Br)c2)CC1 ZINC000132699185 532220025 /nfs/dbraw/zinc/22/00/25/532220025.db2.gz QXPDXMIZJXFRIU-NSHDSACASA-N -1 1 376.258 2.400 20 0 GEADMM Cc1[nH]c2nc(S(=O)(=O)CCCc3cn[nH]c3)nc-2cc1Br ZINC000179623004 532239431 /nfs/dbraw/zinc/23/94/31/532239431.db2.gz ZBGARQYVQOEBDX-UHFFFAOYSA-N -1 1 384.259 2.158 20 0 GEADMM Cc1[n-]c2nc(S(=O)(=O)CCCc3cn[nH]c3)nc-2cc1Br ZINC000179623004 532239436 /nfs/dbraw/zinc/23/94/36/532239436.db2.gz 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ZINC000183396035 532324844 /nfs/dbraw/zinc/32/48/44/532324844.db2.gz LBKZTJSNIMAQJL-QMMMGPOBSA-N -1 1 388.653 2.257 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)co1 ZINC000182119356 532309490 /nfs/dbraw/zinc/30/94/90/532309490.db2.gz MVACUEQKRKHHTO-CYBMUJFWSA-N -1 1 384.841 2.485 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000182502564 532313970 /nfs/dbraw/zinc/31/39/70/532313970.db2.gz XAXWRBYOMLCKPR-DOMZBBRYSA-N -1 1 384.841 2.101 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000182502527 532314218 /nfs/dbraw/zinc/31/42/18/532314218.db2.gz XAXWRBYOMLCKPR-IUODEOHRSA-N -1 1 384.841 2.101 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccco1 ZINC000183029402 532321113 /nfs/dbraw/zinc/32/11/13/532321113.db2.gz HDRMAXIKBWLZLG-LLVKDONJSA-N -1 1 380.344 2.282 20 0 GEADMM CCC[C@H](N[C@@H](C)C(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000185041881 532336683 /nfs/dbraw/zinc/33/66/83/532336683.db2.gz 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532355171 /nfs/dbraw/zinc/35/51/71/532355171.db2.gz XNKBEHCPFUUBDB-SECBINFHSA-N -1 1 391.205 2.411 20 0 GEADMM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190881674 532358622 /nfs/dbraw/zinc/35/86/22/532358622.db2.gz HBWNXRUVBFJOMZ-AHGSNSTDSA-N -1 1 392.699 2.287 20 0 GEADMM NS(=O)(=O)c1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)co1 ZINC000187355247 532344079 /nfs/dbraw/zinc/34/40/79/532344079.db2.gz ZYRPAROISWPRAF-UHFFFAOYSA-N -1 1 398.853 2.275 20 0 GEADMM CNC(=O)C(C)(C)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000515927209 532374823 /nfs/dbraw/zinc/37/48/23/532374823.db2.gz LWQRDELSENKDKN-UHFFFAOYSA-N -1 1 380.242 2.205 20 0 GEADMM CO[C@@H]1CCN(Cc2cc3c(cc2Br)OCCO3)[C@@H](C(=O)[O-])C1 ZINC000515433826 532365016 /nfs/dbraw/zinc/36/50/16/532365016.db2.gz AMIMQHRMNDAGLC-DGCLKSJQSA-N -1 1 386.242 2.284 20 0 GEADMM CCN1C(=O)N=NC1C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000371972089 532365001 /nfs/dbraw/zinc/36/50/01/532365001.db2.gz KAVNFURVBHFKIN-UHFFFAOYSA-N -1 1 395.257 2.492 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)CCOCC2CC2)c2ccc(Cl)cc2)no1 ZINC000425169171 532368085 /nfs/dbraw/zinc/36/80/85/532368085.db2.gz JDJWLVGQBKUDFP-OAHLLOKOSA-N -1 1 385.873 2.467 20 0 GEADMM Cc1nnc(-c2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2)n1C ZINC000372074886 532369740 /nfs/dbraw/zinc/36/97/40/532369740.db2.gz ANMXMHLBENJFKN-UHFFFAOYSA-N -1 1 378.435 2.351 20 0 GEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)s1 ZINC000425199735 532371686 /nfs/dbraw/zinc/37/16/86/532371686.db2.gz GBSUYWOPLGPIJD-LURJTMIESA-N -1 1 395.256 2.325 20 0 GEADMM CCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000677745939 532382841 /nfs/dbraw/zinc/38/28/41/532382841.db2.gz CWRVJILDWVVKBR-GFCCVEGCSA-N -1 1 378.516 2.314 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](C)C2CC2)c(OC)c1 ZINC000677747876 532383356 /nfs/dbraw/zinc/38/33/56/532383356.db2.gz HDVOBSPWTFBZSF-LBPRGKRZSA-N -1 1 390.527 2.171 20 0 GEADMM CCOC(COCCNC(=O)c1ccc(Br)cc1[O-])OCC ZINC000278518540 532384284 /nfs/dbraw/zinc/38/42/84/532384284.db2.gz BTFFTJPRWRHKRC-UHFFFAOYSA-N -1 1 376.247 2.300 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)NC1CCCC1 ZINC000590793812 532387302 /nfs/dbraw/zinc/38/73/02/532387302.db2.gz KGTYBHIMQLTGRY-UHFFFAOYSA-N -1 1 397.241 2.064 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1Br)c1nn[n-]n1 ZINC000294907051 532389721 /nfs/dbraw/zinc/38/97/21/532389721.db2.gz JWJQVFLDEIAQAK-SNVBAGLBSA-N -1 1 384.234 2.251 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Br)c2F)c1 ZINC000192200332 532393680 /nfs/dbraw/zinc/39/36/80/532393680.db2.gz CTXDDPFEFSULLE-UHFFFAOYSA-N -1 1 389.202 2.194 20 0 GEADMM COc1cc(Cl)c(Br)cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000192209549 532394571 /nfs/dbraw/zinc/39/45/71/532394571.db2.gz JCTYZWWASKJSQH-SSDOTTSWSA-N -1 1 388.653 2.500 20 0 GEADMM NC(=O)CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000591044655 532396450 /nfs/dbraw/zinc/39/64/50/532396450.db2.gz ANELPLBSNXPGQZ-UHFFFAOYSA-N -1 1 378.475 2.390 20 0 GEADMM CN(C)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000192728829 532407714 /nfs/dbraw/zinc/40/77/14/532407714.db2.gz WVOIRHIGLIMTTP-UHFFFAOYSA-N -1 1 380.900 2.453 20 0 GEADMM COC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)OC ZINC000465507310 532418230 /nfs/dbraw/zinc/41/82/30/532418230.db2.gz YMFVKHLVWLAGIQ-LBPRGKRZSA-N -1 1 389.779 2.215 20 0 GEADMM O=S(=O)(NCc1n[nH]c(C2CC2)n1)c1c(F)cccc1OC(F)(F)F ZINC000295225559 532420816 /nfs/dbraw/zinc/42/08/16/532420816.db2.gz HYYZCRONWLGHDI-UHFFFAOYSA-N -1 1 380.323 2.198 20 0 GEADMM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)CO2 ZINC000625350205 532420024 /nfs/dbraw/zinc/42/00/24/532420024.db2.gz RCOOUYBNZMZYQY-JTQLQIEISA-N -1 1 375.372 2.029 20 0 GEADMM COCc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc(C(=O)OC)c1 ZINC000427310222 532420262 /nfs/dbraw/zinc/42/02/62/532420262.db2.gz SWOCDUQFHPYBKX-UHFFFAOYSA-N -1 1 385.419 2.180 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(F)(F)CC)c(F)c1 ZINC000625454230 532428904 /nfs/dbraw/zinc/42/89/04/532428904.db2.gz RXJAVASHRAPUEX-UHFFFAOYSA-N -1 1 388.433 2.301 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000518132707 532436150 /nfs/dbraw/zinc/43/61/50/532436150.db2.gz CYBOBDRIGDWKIE-UHFFFAOYSA-N -1 1 383.779 2.450 20 0 GEADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000518057067 532433810 /nfs/dbraw/zinc/43/38/10/532433810.db2.gz KCYUIIFHUCPUQK-UHFFFAOYSA-N -1 1 384.479 2.060 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)ccc1C ZINC000467085993 532437843 /nfs/dbraw/zinc/43/78/43/532437843.db2.gz PGRLIEWFBNBGLR-UHFFFAOYSA-N -1 1 382.825 2.335 20 0 GEADMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)CN1c1ccccc1 ZINC000561401757 532438560 /nfs/dbraw/zinc/43/85/60/532438560.db2.gz YZQUMYPATHGSIE-JTQLQIEISA-N -1 1 385.239 2.126 20 0 GEADMM COC1(CS(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)CCOCC1 ZINC000650167616 532439433 /nfs/dbraw/zinc/43/94/33/532439433.db2.gz XQTAWSIZHRSHDW-UHFFFAOYSA-N -1 1 376.862 2.236 20 0 GEADMM CC1(C)CCN(C(=O)c2ccc(Br)cc2[O-])CCS1(=O)=O ZINC000194180411 532444159 /nfs/dbraw/zinc/44/41/59/532444159.db2.gz KMQMITVSISASKT-UHFFFAOYSA-N -1 1 376.272 2.194 20 0 GEADMM COCC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000518622978 532445039 /nfs/dbraw/zinc/44/50/39/532445039.db2.gz MBDCSDLATDMSCU-MRVPVSSYSA-N -1 1 388.230 2.057 20 0 GEADMM Cc1cc(CS(=O)(=O)[N-]Cc2noc(-c3ccc(Cl)cc3F)n2)no1 ZINC000373303908 532442014 /nfs/dbraw/zinc/44/20/14/532442014.db2.gz LALGNNZEYOGLGN-UHFFFAOYSA-N -1 1 386.792 2.445 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)ccc1Cl ZINC000592351343 532450953 /nfs/dbraw/zinc/45/09/53/532450953.db2.gz MTFZMANCDAGFMN-OAHLLOKOSA-N -1 1 391.873 2.310 20 0 GEADMM CC(C)c1nnc(C[N-]S(=O)(=O)c2cncc(Br)c2)s1 ZINC000467770690 532454919 /nfs/dbraw/zinc/45/49/19/532454919.db2.gz SKVRPROOZUKHGH-UHFFFAOYSA-N -1 1 377.289 2.298 20 0 GEADMM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000282297523 532455605 /nfs/dbraw/zinc/45/56/05/532455605.db2.gz 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GEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCN1C1CCOCC1 ZINC000377938630 532674241 /nfs/dbraw/zinc/67/42/41/532674241.db2.gz CDRGQPUZFHAZEJ-CYBMUJFWSA-N -1 1 393.292 2.052 20 0 GEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000484539272 532680812 /nfs/dbraw/zinc/68/08/12/532680812.db2.gz DGQCVLLCAKTVNN-UHFFFAOYSA-N -1 1 384.479 2.314 20 0 GEADMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000285478817 532683039 /nfs/dbraw/zinc/68/30/39/532683039.db2.gz OJIBOLPZCLEUIT-PRHODGIISA-N -1 1 380.297 2.360 20 0 GEADMM COc1cc(C(=O)[N-]c2ncn(-c3ccccn3)n2)sc1Br ZINC000378461082 532696191 /nfs/dbraw/zinc/69/61/91/532696191.db2.gz YGHNRVDEOZJLRV-UHFFFAOYSA-N -1 1 380.227 2.747 20 0 GEADMM O=C(c1c[nH]c2cccc(Br)c12)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000299161284 532698826 /nfs/dbraw/zinc/69/88/26/532698826.db2.gz ZOHGRDOFJYIXLB-SECBINFHSA-N -1 1 390.241 2.362 20 0 GEADMM CCc1ccc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cc1 ZINC000439275514 532687574 /nfs/dbraw/zinc/68/75/74/532687574.db2.gz QMIYUQLQMCQISY-UHFFFAOYSA-N -1 1 379.448 2.200 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)co1 ZINC000378267342 532688102 /nfs/dbraw/zinc/68/81/02/532688102.db2.gz LAZZRZDMMGIYIC-UHFFFAOYSA-N -1 1 379.419 2.269 20 0 GEADMM O=S(=O)([N-]CC(F)(F)F)NC1CCN(CCc2ccccc2Cl)CC1 ZINC000439280412 532688493 /nfs/dbraw/zinc/68/84/93/532688493.db2.gz ZNSCTVNXYGMZEZ-UHFFFAOYSA-N -1 1 399.866 2.333 20 0 GEADMM CCOCCS(=O)(=O)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000266153045 532704784 /nfs/dbraw/zinc/70/47/84/532704784.db2.gz GCDJGAZJVHOSGO-UHFFFAOYSA-N -1 1 385.463 2.233 20 0 GEADMM O=C([O-])CN1CCCC[C@H](N[C@H]2CCOc3c(Br)cccc32)C1=O ZINC000643876273 532708965 /nfs/dbraw/zinc/70/89/65/532708965.db2.gz PMNGQZFMMICMKQ-KBPBESRZSA-N -1 1 397.269 2.328 20 0 GEADMM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000539231358 532726078 /nfs/dbraw/zinc/72/60/78/532726078.db2.gz OEMLSQIDJQPIBK-UHFFFAOYSA-N -1 1 389.886 2.286 20 0 GEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ncccc2C(F)(F)F)[C@@]12CCCO2 ZINC000645650834 532719280 /nfs/dbraw/zinc/71/92/80/532719280.db2.gz OFGGUFAJQPXCKP-BZPMIXESSA-N -1 1 380.388 2.105 20 0 GEADMM CCc1cccc(S(=O)(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000267507672 532743786 /nfs/dbraw/zinc/74/37/86/532743786.db2.gz OSZUQEATRDUIKO-UHFFFAOYSA-N -1 1 384.479 2.430 20 0 GEADMM COc1cc([N-]S(=O)(=O)C[C@H]2CCCO2)cc(OC)c1Br ZINC000540497744 532740402 /nfs/dbraw/zinc/74/04/02/532740402.db2.gz DHPDZRRHYHZFRQ-SNVBAGLBSA-N -1 1 380.260 2.387 20 0 GEADMM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc(Br)cc1[O-] ZINC000446949305 532755761 /nfs/dbraw/zinc/75/57/61/532755761.db2.gz UKUXRTSPXVALSN-UHFFFAOYSA-N -1 1 399.266 2.041 20 0 GEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)cc1 ZINC000446949203 532756457 /nfs/dbraw/zinc/75/64/57/532756457.db2.gz FSJMVVCRRWZYFC-UHFFFAOYSA-N -1 1 378.435 2.262 20 0 GEADMM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000504694318 532749597 /nfs/dbraw/zinc/74/95/97/532749597.db2.gz GUEQGEIWZCRKRX-AWEZNQCLSA-N -1 1 388.221 2.149 20 0 GEADMM COc1cc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000452697372 532775928 /nfs/dbraw/zinc/77/59/28/532775928.db2.gz USOUXWHEYNAOJC-UHFFFAOYSA-N -1 1 375.874 2.387 20 0 GEADMM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)s1 ZINC000542702347 532777211 /nfs/dbraw/zinc/77/72/11/532777211.db2.gz XTJZXJKHJXTHCY-ZETCQYMHSA-N -1 1 382.223 2.411 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(C)C)CC2)c(F)c1 ZINC000451607209 532766336 /nfs/dbraw/zinc/76/63/36/532766336.db2.gz PFVIVZFLNKMIJG-UHFFFAOYSA-N -1 1 378.491 2.444 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(F)F ZINC000451626783 532767471 /nfs/dbraw/zinc/76/74/71/532767471.db2.gz VQPLRWAPRBGAJR-ZETCQYMHSA-N -1 1 399.213 2.102 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)sc1C ZINC000548451662 532790839 /nfs/dbraw/zinc/79/08/39/532790839.db2.gz JZNVXFHYEGRKQN-NSHDSACASA-N -1 1 388.536 2.209 20 0 GEADMM CCO[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000412409652 532790884 /nfs/dbraw/zinc/79/08/84/532790884.db2.gz QEWPOBUPQLRKSJ-CHWSQXEVSA-N -1 1 395.308 2.346 20 0 GEADMM C[C@H](CN(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12)c1nn[n-]n1 ZINC000548466336 532791375 /nfs/dbraw/zinc/79/13/75/532791375.db2.gz ZHBKZPFYVWKDND-MRVPVSSYSA-N -1 1 391.229 2.092 20 0 GEADMM CCC[C@H](NC(=O)COc1ccc(Br)cc1C(C)=O)c1nn[n-]n1 ZINC000287338541 532792296 /nfs/dbraw/zinc/79/22/96/532792296.db2.gz GGKNNUZKBUVCGF-LBPRGKRZSA-N -1 1 396.245 2.201 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)c(Cl)c1 ZINC000328015453 532792797 /nfs/dbraw/zinc/79/27/97/532792797.db2.gz LYYDXEITPMEPSK-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@@H]2CCC[C@H]21 ZINC000549554899 532794349 /nfs/dbraw/zinc/79/43/49/532794349.db2.gz NERMGRFTBCMXMT-TZMCWYRMSA-N -1 1 390.502 2.396 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)co1 ZINC000270075226 532794454 /nfs/dbraw/zinc/79/44/54/532794454.db2.gz YOMRYDRVZXNPTF-UHFFFAOYSA-N -1 1 383.451 2.052 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCSCC1 ZINC000270190158 532795112 /nfs/dbraw/zinc/79/51/12/532795112.db2.gz AAFSKXZDKVQCPX-UHFFFAOYSA-N -1 1 385.294 2.106 20 0 GEADMM CC(=O)NCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000514305311 532780428 /nfs/dbraw/zinc/78/04/28/532780428.db2.gz DBLVIGHJCTTZNZ-UHFFFAOYSA-N -1 1 381.841 2.215 20 0 GEADMM CC(=O)NCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000514304150 532780604 /nfs/dbraw/zinc/78/06/04/532780604.db2.gz RFFFEDINAZQYMC-UHFFFAOYSA-N -1 1 381.841 2.215 20 0 GEADMM CCn1c(=O)c2c3c(sc2nc1SCc1nc(=O)n(C)[n-]1)CCCC3 ZINC000329271472 532805135 /nfs/dbraw/zinc/80/51/35/532805135.db2.gz ICEOCBKLSWZYOY-UHFFFAOYSA-N -1 1 377.495 2.071 20 0 GEADMM CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271295659 532806944 /nfs/dbraw/zinc/80/69/44/532806944.db2.gz GWPOKIMDZBCSRS-UHFFFAOYSA-N -1 1 382.463 2.184 20 0 GEADMM NC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)Cc1ccc(F)cc1 ZINC000556360534 532810508 /nfs/dbraw/zinc/81/05/08/532810508.db2.gz AARPWZSBVKOYCJ-LLVKDONJSA-N -1 1 388.823 2.241 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1OC ZINC000550790457 532798490 /nfs/dbraw/zinc/79/84/90/532798490.db2.gz NEHNWPMHDZQWED-UHFFFAOYSA-N -1 1 379.316 2.025 20 0 GEADMM Cc1nn2cc(S(=O)(=O)[N-]C3(C(F)(F)F)CCOCC3)cnc2c1Cl ZINC000329055728 532802018 /nfs/dbraw/zinc/80/20/18/532802018.db2.gz SLURPZLNALEFMH-UHFFFAOYSA-N -1 1 398.794 2.081 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(OC)c1 ZINC000330515145 532820554 /nfs/dbraw/zinc/82/05/54/532820554.db2.gz DIASRRXKNRKAON-CHWSQXEVSA-N -1 1 390.527 2.123 20 0 GEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000330799319 532826951 /nfs/dbraw/zinc/82/69/51/532826951.db2.gz BTQWCVORSIFQDR-PHIMTYICSA-N -1 1 395.319 2.208 20 0 GEADMM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000414462100 532828822 /nfs/dbraw/zinc/82/88/22/532828822.db2.gz XWVIFYVLEXLXLG-UHFFFAOYSA-N -1 1 376.759 2.187 20 0 GEADMM CCOc1cc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc(Cl)c1[O-] ZINC000273811893 532835333 /nfs/dbraw/zinc/83/53/33/532835333.db2.gz AYTQUIIITHRVRM-CYBMUJFWSA-N -1 1 384.885 2.486 20 0 GEADMM CCCOCc1ccccc1C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000274106937 532841144 /nfs/dbraw/zinc/84/11/44/532841144.db2.gz CKYBISSVWHHQLC-UHFFFAOYSA-N -1 1 384.479 2.335 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)s1 ZINC000289420430 532854160 /nfs/dbraw/zinc/85/41/60/532854160.db2.gz BVGIZGLCGRSVIZ-NSHDSACASA-N -1 1 384.445 2.444 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)c1Cl ZINC000289435471 532854662 /nfs/dbraw/zinc/85/46/62/532854662.db2.gz DFXQZOUNMKNXNI-AWEZNQCLSA-N -1 1 381.885 2.446 20 0 GEADMM Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000289466944 532855899 /nfs/dbraw/zinc/85/58/99/532855899.db2.gz GZEAIYADDSJGOO-CYBMUJFWSA-N -1 1 378.416 2.383 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)s1 ZINC000289505684 532856543 /nfs/dbraw/zinc/85/65/43/532856543.db2.gz LIDMHHYVAYBBCO-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM CCc1ccc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000289652377 532862263 /nfs/dbraw/zinc/86/22/63/532862263.db2.gz TWJCOIYSNBCWMU-JTQLQIEISA-N -1 1 384.445 2.390 20 0 GEADMM Cc1nnc(CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)s1 ZINC000289857189 532866690 /nfs/dbraw/zinc/86/66/90/532866690.db2.gz MTGNSYBARGEXBJ-UHFFFAOYSA-N -1 1 397.707 2.178 20 0 GEADMM O=S(=O)([N-][C@@H]1CCCS(=O)(=O)C1)c1sc2ccccc2c1Cl ZINC000333453257 532868414 /nfs/dbraw/zinc/86/84/14/532868414.db2.gz SFDDYDCSGYLGBD-SECBINFHSA-N -1 1 379.912 2.410 20 0 GEADMM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000275304476 532872157 /nfs/dbraw/zinc/87/21/57/532872157.db2.gz NEVJJGBIXUBTAN-JSGCOSHPSA-N -1 1 375.372 2.129 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)c(F)cc1Br ZINC000416441071 532877628 /nfs/dbraw/zinc/87/76/28/532877628.db2.gz QHLQPUVPCFBODM-JTQLQIEISA-N -1 1 394.184 2.488 20 0 GEADMM CC(C)c1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)NC1CC(C)C1 ZINC000349556976 532882961 /nfs/dbraw/zinc/88/29/61/532882961.db2.gz XRUOUBDSPIKNOV-UHFFFAOYSA-N -1 1 389.543 2.055 20 0 GEADMM CC[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349558781 532883011 /nfs/dbraw/zinc/88/30/11/532883011.db2.gz SVESVDORVWXMDJ-CABCVRRESA-N -1 1 389.543 2.020 20 0 GEADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCCO1 ZINC000290400545 532880126 /nfs/dbraw/zinc/88/01/26/532880126.db2.gz LLKBCRJLPIVKQH-GXFFZTMASA-N -1 1 395.308 2.346 20 0 GEADMM CCCCN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H](CC)OC)c1 ZINC000421146825 532888819 /nfs/dbraw/zinc/88/88/19/532888819.db2.gz CPPOLHQECPMOCZ-OAHLLOKOSA-N -1 1 392.543 2.274 20 0 GEADMM CON1CCC(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000422038835 532891402 /nfs/dbraw/zinc/89/14/02/532891402.db2.gz FLWZTRFYJKDJFT-UHFFFAOYSA-N -1 1 380.242 2.459 20 0 GEADMM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000360976277 532891646 /nfs/dbraw/zinc/89/16/46/532891646.db2.gz FCQIEPMKTYDLKG-TZMCWYRMSA-N -1 1 394.273 2.131 20 0 GEADMM O=C(NCC(F)(F)F)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1 ZINC000424067896 532895433 /nfs/dbraw/zinc/89/54/33/532895433.db2.gz QHCHBDYQIWPXQE-UHFFFAOYSA-N -1 1 380.388 2.147 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCOCC(F)F)c1 ZINC000276877885 532902691 /nfs/dbraw/zinc/90/26/91/532902691.db2.gz RVZOPHANWQBONX-UHFFFAOYSA-N -1 1 380.413 2.033 20 0 GEADMM NC(=O)[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000291478085 532902525 /nfs/dbraw/zinc/90/25/25/532902525.db2.gz QLFNWLNXVNCSNK-SECBINFHSA-N -1 1 378.226 2.040 20 0 GEADMM CO[C@@](C)(CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000291412132 532901416 /nfs/dbraw/zinc/90/14/16/532901416.db2.gz HYANPYIVBTVPJZ-HNNXBMFYSA-N -1 1 395.308 2.203 20 0 GEADMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)Oc2ccccc21 ZINC000364706144 532908155 /nfs/dbraw/zinc/90/81/55/532908155.db2.gz NSIGQGKJEXZSMC-HNNXBMFYSA-N -1 1 382.825 2.211 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(N)=O ZINC000292315120 532915356 /nfs/dbraw/zinc/91/53/56/532915356.db2.gz ZNERTSPXEUFFOE-MRVPVSSYSA-N -1 1 390.086 2.298 20 0 GEADMM Cc1nnc([C@H](C)NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000292402845 532915991 /nfs/dbraw/zinc/91/59/91/532915991.db2.gz NADVNPZGIJFLCR-WCBMZHEXSA-N -1 1 379.408 2.008 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cnc1C ZINC000292940463 532920428 /nfs/dbraw/zinc/92/04/28/532920428.db2.gz ZWTVHTDPUIEEEB-SNVBAGLBSA-N -1 1 395.384 2.215 20 0 GEADMM O=C(Cc1csc(N2CCOCC2)n1)Nc1nc(Br)ccc1[O-] ZINC000367387664 532924372 /nfs/dbraw/zinc/92/43/72/532924372.db2.gz HFGQESULPFTYOC-UHFFFAOYSA-N -1 1 399.270 2.024 20 0 GEADMM CCOC(=O)c1csc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC000294403771 532938666 /nfs/dbraw/zinc/93/86/66/532938666.db2.gz LLTINIMABXPGMG-UHFFFAOYSA-N -1 1 382.467 2.417 20 0 GEADMM Cc1cc2cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)oc2c(Br)c1 ZINC000371700262 532949412 /nfs/dbraw/zinc/94/94/12/532949412.db2.gz NWXXYXTYDOCQIM-LBPRGKRZSA-N -1 1 392.213 2.231 20 0 GEADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccccc1F ZINC000737860521 598825393 /nfs/dbraw/zinc/82/53/93/598825393.db2.gz SIMXXXHRQXMZHD-UHFFFAOYSA-N -1 1 378.367 2.350 20 0 GEADMM C[C@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736227784 598835807 /nfs/dbraw/zinc/83/58/07/598835807.db2.gz FSJHBVBTEAHKTF-SFHVURJKSA-N -1 1 384.465 2.004 20 0 GEADMM C[C@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736227784 598835808 /nfs/dbraw/zinc/83/58/08/598835808.db2.gz FSJHBVBTEAHKTF-SFHVURJKSA-N -1 1 384.465 2.004 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(c2cccc(F)c2)CC1 ZINC000737202257 598837585 /nfs/dbraw/zinc/83/75/85/598837585.db2.gz YXQFPHKRPXXAPM-UHFFFAOYSA-N -1 1 396.426 2.461 20 0 GEADMM O=C(CNCC(F)(F)F)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737896153 598847402 /nfs/dbraw/zinc/84/74/02/598847402.db2.gz XNLIMQUJZJQZTF-UHFFFAOYSA-N -1 1 396.398 2.363 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(Cc2ccc(F)cc2)no1 ZINC000737197687 598859760 /nfs/dbraw/zinc/85/97/60/598859760.db2.gz CBDDTEDOKWQONP-UHFFFAOYSA-N -1 1 395.398 2.482 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(Cc1ccccn1)C1CC1 ZINC000738354127 598874698 /nfs/dbraw/zinc/87/46/98/598874698.db2.gz HQBWRKMQYMBQLB-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(Cc1ccccn1)C1CC1 ZINC000738354127 598874699 /nfs/dbraw/zinc/87/46/99/598874699.db2.gz HQBWRKMQYMBQLB-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000737549867 598922511 /nfs/dbraw/zinc/92/25/11/598922511.db2.gz ZLSQAQFAPIUACU-HXUWFJFHSA-N -1 1 392.419 2.196 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000737549867 598922513 /nfs/dbraw/zinc/92/25/13/598922513.db2.gz ZLSQAQFAPIUACU-HXUWFJFHSA-N -1 1 392.419 2.196 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737187363 598922558 /nfs/dbraw/zinc/92/25/58/598922558.db2.gz RBGBZJGCFLRKEE-CYBMUJFWSA-N -1 1 396.476 2.319 20 0 GEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1OC ZINC000737040372 598946417 /nfs/dbraw/zinc/94/64/17/598946417.db2.gz OTBLQIQSRUBCHV-UHFFFAOYSA-N -1 1 389.437 2.302 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000737224840 598947421 /nfs/dbraw/zinc/94/74/21/598947421.db2.gz ICRWEMDGMLDFEH-UHFFFAOYSA-N -1 1 381.421 2.162 20 0 GEADMM COCCOc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737015542 598958889 /nfs/dbraw/zinc/95/88/89/598958889.db2.gz QHXMAYCKAVDGFV-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM COCCOc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737015542 598958893 /nfs/dbraw/zinc/95/88/93/598958893.db2.gz QHXMAYCKAVDGFV-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM CN(Cc1cnn(-c2ccccc2)n1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736831221 598959970 /nfs/dbraw/zinc/95/99/70/598959970.db2.gz IUAVEPVPMOOZKR-UHFFFAOYSA-N -1 1 384.407 2.027 20 0 GEADMM CN(Cc1cnn(-c2ccccc2)n1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736831221 598959971 /nfs/dbraw/zinc/95/99/71/598959971.db2.gz IUAVEPVPMOOZKR-UHFFFAOYSA-N -1 1 384.407 2.027 20 0 GEADMM O=S(=O)(CCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000738325536 598962514 /nfs/dbraw/zinc/96/25/14/598962514.db2.gz FPWMTHXCPBPKTG-UHFFFAOYSA-N -1 1 395.448 2.086 20 0 GEADMM O=S(=O)(CCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000738325536 598962515 /nfs/dbraw/zinc/96/25/15/598962515.db2.gz FPWMTHXCPBPKTG-UHFFFAOYSA-N -1 1 395.448 2.086 20 0 GEADMM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cccc1-c1nn[nH]n1 ZINC000822123289 607254952 /nfs/dbraw/zinc/25/49/52/607254952.db2.gz YOMDVPPVJWBDCI-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735636489 598965127 /nfs/dbraw/zinc/96/51/27/598965127.db2.gz WTMSTIGIAYEOGE-LBPRGKRZSA-N -1 1 396.455 2.161 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735636489 598965128 /nfs/dbraw/zinc/96/51/28/598965128.db2.gz WTMSTIGIAYEOGE-LBPRGKRZSA-N -1 1 396.455 2.161 20 0 GEADMM CN(CC(=O)N(C)C1CCCCC1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736779488 598969433 /nfs/dbraw/zinc/96/94/33/598969433.db2.gz JLXRXBLEXNLDGX-UHFFFAOYSA-N -1 1 380.456 2.037 20 0 GEADMM CN(CC(=O)N(C)C1CCCCC1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736779488 598969435 /nfs/dbraw/zinc/96/94/35/598969435.db2.gz JLXRXBLEXNLDGX-UHFFFAOYSA-N -1 1 380.456 2.037 20 0 GEADMM Cc1cc(C)n(-c2ccc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000737257566 598985251 /nfs/dbraw/zinc/98/52/51/598985251.db2.gz WEIIUZHCTAJMQL-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1cc(C)n(-c2ccc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000737257566 598985253 /nfs/dbraw/zinc/98/52/53/598985253.db2.gz WEIIUZHCTAJMQL-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736815103 598990009 /nfs/dbraw/zinc/99/00/09/598990009.db2.gz RHAFLASCFZJYKW-UHFFFAOYSA-N -1 1 391.204 2.436 20 0 GEADMM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736815103 598990010 /nfs/dbraw/zinc/99/00/10/598990010.db2.gz RHAFLASCFZJYKW-UHFFFAOYSA-N -1 1 391.204 2.436 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2F)C[C@H](C)O1 ZINC000736293010 598994209 /nfs/dbraw/zinc/99/42/09/598994209.db2.gz MUVDHWSZQKPTHE-TXEJJXNPSA-N -1 1 397.414 2.267 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2F)C[C@H](C)O1 ZINC000736293010 598994211 /nfs/dbraw/zinc/99/42/11/598994211.db2.gz MUVDHWSZQKPTHE-TXEJJXNPSA-N -1 1 397.414 2.267 20 0 GEADMM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738151293 598994647 /nfs/dbraw/zinc/99/46/47/598994647.db2.gz QQFBGGWDWCDMIF-UHFFFAOYSA-N -1 1 377.408 2.186 20 0 GEADMM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738151293 598994648 /nfs/dbraw/zinc/99/46/48/598994648.db2.gz QQFBGGWDWCDMIF-UHFFFAOYSA-N -1 1 377.408 2.186 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C[C@@H](C)O1 ZINC000736294503 598998246 /nfs/dbraw/zinc/99/82/46/598998246.db2.gz RZZPIIWDQAPXEI-CHWSQXEVSA-N -1 1 379.424 2.128 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C[C@@H](C)O1 ZINC000736294503 598998248 /nfs/dbraw/zinc/99/82/48/598998248.db2.gz RZZPIIWDQAPXEI-CHWSQXEVSA-N -1 1 379.424 2.128 20 0 GEADMM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737235337 599000244 /nfs/dbraw/zinc/00/02/44/599000244.db2.gz SOTGRIDJGRHVRI-UHFFFAOYSA-N -1 1 379.424 2.208 20 0 GEADMM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737235337 599000246 /nfs/dbraw/zinc/00/02/46/599000246.db2.gz SOTGRIDJGRHVRI-UHFFFAOYSA-N -1 1 379.424 2.208 20 0 GEADMM O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145002 599005120 /nfs/dbraw/zinc/00/51/20/599005120.db2.gz QBONLKHJQZNCGO-CYBMUJFWSA-N -1 1 384.371 2.211 20 0 GEADMM O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145002 599005122 /nfs/dbraw/zinc/00/51/22/599005122.db2.gz QBONLKHJQZNCGO-CYBMUJFWSA-N -1 1 384.371 2.211 20 0 GEADMM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738044166 599005287 /nfs/dbraw/zinc/00/52/87/599005287.db2.gz HPHDSGDQTZQPBI-UHFFFAOYSA-N -1 1 398.854 2.393 20 0 GEADMM O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738044166 599005288 /nfs/dbraw/zinc/00/52/88/599005288.db2.gz HPHDSGDQTZQPBI-UHFFFAOYSA-N -1 1 398.854 2.393 20 0 GEADMM O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037312 599009516 /nfs/dbraw/zinc/00/95/16/599009516.db2.gz DQSFCMAPTOSNBA-UHFFFAOYSA-N -1 1 399.252 2.486 20 0 GEADMM O=C(NCC1(c2cccc(Br)c2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037312 599009518 /nfs/dbraw/zinc/00/95/18/599009518.db2.gz DQSFCMAPTOSNBA-UHFFFAOYSA-N -1 1 399.252 2.486 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000737549698 599015539 /nfs/dbraw/zinc/01/55/39/599015539.db2.gz XLYZHWHSIXYFOP-SFHVURJKSA-N -1 1 398.448 2.258 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000737549698 599015541 /nfs/dbraw/zinc/01/55/41/599015541.db2.gz XLYZHWHSIXYFOP-SFHVURJKSA-N -1 1 398.448 2.258 20 0 GEADMM CCc1cc(CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)on1 ZINC000736675426 599042335 /nfs/dbraw/zinc/04/23/35/599042335.db2.gz LNIDXAZKADMIEU-UHFFFAOYSA-N -1 1 385.453 2.341 20 0 GEADMM O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738251804 599136021 /nfs/dbraw/zinc/13/60/21/599136021.db2.gz SCQIVGGRWVXXNA-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738251804 599136022 /nfs/dbraw/zinc/13/60/22/599136022.db2.gz SCQIVGGRWVXXNA-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000737101133 599138650 /nfs/dbraw/zinc/13/86/50/599138650.db2.gz CMORROKWURAWLQ-INIZCTEOSA-N -1 1 396.407 2.090 20 0 GEADMM COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000737101133 599138652 /nfs/dbraw/zinc/13/86/52/599138652.db2.gz CMORROKWURAWLQ-INIZCTEOSA-N -1 1 396.407 2.090 20 0 GEADMM Cc1cc(C)c(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000737249406 599138741 /nfs/dbraw/zinc/13/87/41/599138741.db2.gz XZGIMZMGYIWYAR-UHFFFAOYSA-N -1 1 386.799 2.327 20 0 GEADMM Cc1cc(C)c(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000737249406 599138743 /nfs/dbraw/zinc/13/87/43/599138743.db2.gz XZGIMZMGYIWYAR-UHFFFAOYSA-N -1 1 386.799 2.327 20 0 GEADMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000737356476 599139403 /nfs/dbraw/zinc/13/94/03/599139403.db2.gz PUWHDFWZOOXGKX-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000737356476 599139406 /nfs/dbraw/zinc/13/94/06/599139406.db2.gz PUWHDFWZOOXGKX-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@H](C)c1ccccc1 ZINC000736100687 599142105 /nfs/dbraw/zinc/14/21/05/599142105.db2.gz NAJDCBCBYTXCNE-DYVFJYSZSA-N -1 1 394.435 2.321 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@H](C)c1ccccc1 ZINC000736100687 599142108 /nfs/dbraw/zinc/14/21/08/599142108.db2.gz NAJDCBCBYTXCNE-DYVFJYSZSA-N -1 1 394.435 2.321 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736158024 599142359 /nfs/dbraw/zinc/14/23/59/599142359.db2.gz ODQGZGMZNRMYRD-BXUZGUMPSA-N -1 1 398.448 2.232 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736158024 599142360 /nfs/dbraw/zinc/14/23/60/599142360.db2.gz ODQGZGMZNRMYRD-BXUZGUMPSA-N -1 1 398.448 2.232 20 0 GEADMM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736688122 599142725 /nfs/dbraw/zinc/14/27/25/599142725.db2.gz UKVOEMPTMRTAFP-QWHCGFSZSA-N -1 1 394.435 2.247 20 0 GEADMM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736688122 599142726 /nfs/dbraw/zinc/14/27/26/599142726.db2.gz UKVOEMPTMRTAFP-QWHCGFSZSA-N -1 1 394.435 2.247 20 0 GEADMM O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236672 599144438 /nfs/dbraw/zinc/14/44/38/599144438.db2.gz OTGHJIOUVVKXNZ-UHFFFAOYSA-N -1 1 389.371 2.214 20 0 GEADMM O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236672 599144440 /nfs/dbraw/zinc/14/44/40/599144440.db2.gz OTGHJIOUVVKXNZ-UHFFFAOYSA-N -1 1 389.371 2.214 20 0 GEADMM CC[C@]1(C)CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000820950187 599201643 /nfs/dbraw/zinc/20/16/43/599201643.db2.gz KPWLJTCJCXBWQC-HXUWFJFHSA-N -1 1 396.499 2.498 20 0 GEADMM CC[C@]1(C)CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000820950187 599201645 /nfs/dbraw/zinc/20/16/45/599201645.db2.gz KPWLJTCJCXBWQC-HXUWFJFHSA-N -1 1 396.499 2.498 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822234025 599218963 /nfs/dbraw/zinc/21/89/63/599218963.db2.gz ZZRBHIQSDKLTLC-QAPCUYQASA-N -1 1 378.436 2.468 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822234025 599218964 /nfs/dbraw/zinc/21/89/64/599218964.db2.gz ZZRBHIQSDKLTLC-QAPCUYQASA-N -1 1 378.436 2.468 20 0 GEADMM CCN(CC)C(=O)c1ccc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000565458253 597083138 /nfs/dbraw/zinc/08/31/38/597083138.db2.gz KXVNGYMEAXQUEM-HNNXBMFYSA-N -1 1 375.469 2.294 20 0 GEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCc1ccc(N2CCOCC2)nc1 ZINC000738437695 599263513 /nfs/dbraw/zinc/26/35/13/599263513.db2.gz SYDZELSUONBEOS-UHFFFAOYSA-N -1 1 388.435 2.259 20 0 GEADMM CN1CCN(c2ccccc2NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000820626015 597492398 /nfs/dbraw/zinc/49/23/98/597492398.db2.gz GITQOCRNGKSYSM-SFHVURJKSA-N -1 1 382.464 2.256 20 0 GEADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000819151773 597536578 /nfs/dbraw/zinc/53/65/78/597536578.db2.gz ZQQIWWGFGPJGLJ-ZDUSSCGKSA-N -1 1 385.395 2.423 20 0 GEADMM C[C@H](Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1)N(C)C(=O)OC(C)(C)C ZINC000820307319 607325658 /nfs/dbraw/zinc/32/56/58/607325658.db2.gz KWHLIKAZLOHUPA-SNVBAGLBSA-N -1 1 386.416 2.110 20 0 GEADMM C[C@H](Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1)N(C)C(=O)OC(C)(C)C ZINC000820307319 607325659 /nfs/dbraw/zinc/32/56/59/607325659.db2.gz KWHLIKAZLOHUPA-SNVBAGLBSA-N -1 1 386.416 2.110 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1c(Cl)nc2ccccn21 ZINC000823583177 607328160 /nfs/dbraw/zinc/32/81/60/607328160.db2.gz KFCWIDNWJLTICP-UHFFFAOYSA-N -1 1 393.791 2.108 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000821421178 598174696 /nfs/dbraw/zinc/17/46/96/598174696.db2.gz JKNCYODWKMOKJO-INIZCTEOSA-N -1 1 381.432 2.104 20 0 GEADMM CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736557802 598260801 /nfs/dbraw/zinc/26/08/01/598260801.db2.gz BBCNNILPWVHMEX-UHFFFAOYSA-N -1 1 384.874 2.187 20 0 GEADMM CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736557802 598260802 /nfs/dbraw/zinc/26/08/02/598260802.db2.gz BBCNNILPWVHMEX-UHFFFAOYSA-N -1 1 384.874 2.187 20 0 GEADMM CCc1ccc([C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000736686654 598260823 /nfs/dbraw/zinc/26/08/23/598260823.db2.gz QBLXAPCIBPDAKI-KRWDZBQOSA-N -1 1 386.481 2.500 20 0 GEADMM CCc1ccc([C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000736686654 598260824 /nfs/dbraw/zinc/26/08/24/598260824.db2.gz QBLXAPCIBPDAKI-KRWDZBQOSA-N -1 1 386.481 2.500 20 0 GEADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737286058 598265575 /nfs/dbraw/zinc/26/55/75/598265575.db2.gz YBDBVASLYGALDX-AWEZNQCLSA-N -1 1 388.453 2.155 20 0 GEADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737286058 598265576 /nfs/dbraw/zinc/26/55/76/598265576.db2.gz YBDBVASLYGALDX-AWEZNQCLSA-N -1 1 388.453 2.155 20 0 GEADMM CC(C)(C)[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597890 598268140 /nfs/dbraw/zinc/26/81/40/598268140.db2.gz TXSZPOSTQVFEKT-JSGCOSHPSA-N -1 1 378.502 2.393 20 0 GEADMM CC(C)(C)[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597890 598268142 /nfs/dbraw/zinc/26/81/42/598268142.db2.gz TXSZPOSTQVFEKT-JSGCOSHPSA-N -1 1 378.502 2.393 20 0 GEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737328231 598269101 /nfs/dbraw/zinc/26/91/01/598269101.db2.gz AOHSQOUXTNKLIA-QGZVFWFLSA-N -1 1 384.465 2.404 20 0 GEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737328231 598269103 /nfs/dbraw/zinc/26/91/03/598269103.db2.gz AOHSQOUXTNKLIA-QGZVFWFLSA-N -1 1 384.465 2.404 20 0 GEADMM CCn1nc(C)cc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736730469 598291274 /nfs/dbraw/zinc/29/12/74/598291274.db2.gz FVZJRMBPTDVRHM-UHFFFAOYSA-N -1 1 392.423 2.243 20 0 GEADMM COc1cc(Br)c(C=O)cc1Oc1nccnc1-c1nn[n-]n1 ZINC000737031377 598338247 /nfs/dbraw/zinc/33/82/47/598338247.db2.gz APAFKPAXSPRSQE-UHFFFAOYSA-N -1 1 377.158 2.033 20 0 GEADMM FC(F)(F)c1ccn(-c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)n1 ZINC000737639392 598348339 /nfs/dbraw/zinc/34/83/39/598348339.db2.gz SPZKCEFFTKRBBF-UHFFFAOYSA-N -1 1 387.329 2.473 20 0 GEADMM FC(F)(F)c1ccn(-c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)n1 ZINC000737639392 598348341 /nfs/dbraw/zinc/34/83/41/598348341.db2.gz SPZKCEFFTKRBBF-UHFFFAOYSA-N -1 1 387.329 2.473 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000737054237 598369738 /nfs/dbraw/zinc/36/97/38/598369738.db2.gz OKFPCNRVMATADD-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM CCc1nn(CC(=O)c2c(C)[nH]c3ccccc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705997 598377597 /nfs/dbraw/zinc/37/75/97/598377597.db2.gz ROYYKCYHTDTJRG-UHFFFAOYSA-N -1 1 391.435 2.221 20 0 GEADMM C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000736121533 598408132 /nfs/dbraw/zinc/40/81/32/598408132.db2.gz CXYNKPHMTZLISL-NSHDSACASA-N -1 1 398.398 2.005 20 0 GEADMM C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000736121533 598408134 /nfs/dbraw/zinc/40/81/34/598408134.db2.gz CXYNKPHMTZLISL-NSHDSACASA-N -1 1 398.398 2.005 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2ccn3C)cc1-c1nn[n-]n1 ZINC000737188092 598408791 /nfs/dbraw/zinc/40/87/91/598408791.db2.gz YKGFSWUQUVLTAH-UHFFFAOYSA-N -1 1 381.421 2.433 20 0 GEADMM CCC/C(C)=C\C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736418901 598409857 /nfs/dbraw/zinc/40/98/57/598409857.db2.gz IISOQXJPCJBDSB-RAXLEYEMSA-N -1 1 395.423 2.281 20 0 GEADMM CCC/C(C)=C\C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736418901 598409858 /nfs/dbraw/zinc/40/98/58/598409858.db2.gz IISOQXJPCJBDSB-RAXLEYEMSA-N -1 1 395.423 2.281 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3ccc(C)cc32)cc1-c1nn[n-]n1 ZINC000737187728 598410856 /nfs/dbraw/zinc/41/08/56/598410856.db2.gz SIVXLILJBDOGMK-CQSZACIVSA-N -1 1 382.449 2.415 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cccc3c2ccn3C)c(-c2nn[n-]n2)c1C ZINC000737551520 598411862 /nfs/dbraw/zinc/41/18/62/598411862.db2.gz IMNHQNXTIUNIMF-UHFFFAOYSA-N -1 1 394.391 2.364 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCCc3sccc3C2)cc1-c1nn[n-]n1 ZINC000737185804 598431767 /nfs/dbraw/zinc/43/17/67/598431767.db2.gz CSQFVQVTGMXQQP-UHFFFAOYSA-N -1 1 388.478 2.339 20 0 GEADMM CC(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000735683576 598433830 /nfs/dbraw/zinc/43/38/30/598433830.db2.gz AMELAGURGSYAQD-UHFFFAOYSA-N -1 1 376.214 2.169 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1ccn(C)n1 ZINC000737281374 598442906 /nfs/dbraw/zinc/44/29/06/598442906.db2.gz XBAXYCKMFALNEA-UHFFFAOYSA-N -1 1 376.380 2.348 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000737189560 598466302 /nfs/dbraw/zinc/46/63/02/598466302.db2.gz OLOGIQBHNNLJGD-NSHDSACASA-N -1 1 388.497 2.360 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(Cc3ccccc3)no2)c2ccccc21 ZINC000738371207 598504889 /nfs/dbraw/zinc/50/48/89/598504889.db2.gz HGDYMEMZJDOLOM-UHFFFAOYSA-N -1 1 385.387 2.204 20 0 GEADMM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736350197 598529606 /nfs/dbraw/zinc/52/96/06/598529606.db2.gz KSMNCDWSEJYWDU-LBPRGKRZSA-N -1 1 384.465 2.440 20 0 GEADMM CS(=O)(=O)Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737162440 598576132 /nfs/dbraw/zinc/57/61/32/598576132.db2.gz KHQOSVJUDGQMQT-UHFFFAOYSA-N -1 1 378.845 2.072 20 0 GEADMM CS(=O)(=O)Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737162440 598576133 /nfs/dbraw/zinc/57/61/33/598576133.db2.gz KHQOSVJUDGQMQT-UHFFFAOYSA-N -1 1 378.845 2.072 20 0 GEADMM CCc1nn(Cc2cc(Cl)nc(Cl)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706961 598642407 /nfs/dbraw/zinc/64/24/07/598642407.db2.gz MYGNFYIUOJPLMQ-UHFFFAOYSA-N -1 1 380.239 2.298 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000738372403 598676760 /nfs/dbraw/zinc/67/67/60/598676760.db2.gz PPGFMYPLQTWFJL-UHFFFAOYSA-N -1 1 399.208 2.494 20 0 GEADMM O=C(NCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC000738065225 598677747 /nfs/dbraw/zinc/67/77/47/598677747.db2.gz HQMKPMFRVFBICB-UHFFFAOYSA-N -1 1 375.795 2.286 20 0 GEADMM O=C(NCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000738065225 598677749 /nfs/dbraw/zinc/67/77/49/598677749.db2.gz HQMKPMFRVFBICB-UHFFFAOYSA-N -1 1 375.795 2.286 20 0 GEADMM O=C1c2ccccc2C(=O)N1CCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000738313295 598678854 /nfs/dbraw/zinc/67/88/54/598678854.db2.gz GTSNWSIRDSAWBR-UHFFFAOYSA-N -1 1 397.826 2.403 20 0 GEADMM O=C1c2ccccc2C(=O)N1CCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000738313295 598678856 /nfs/dbraw/zinc/67/88/56/598678856.db2.gz GTSNWSIRDSAWBR-UHFFFAOYSA-N -1 1 397.826 2.403 20 0 GEADMM Brc1ccccc1N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000735376150 598680668 /nfs/dbraw/zinc/68/06/68/598680668.db2.gz ZMVIRBZLKYKIKN-SNVBAGLBSA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccccc1N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000735376150 598680670 /nfs/dbraw/zinc/68/06/70/598680670.db2.gz ZMVIRBZLKYKIKN-SNVBAGLBSA-N -1 1 387.245 2.110 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000738355723 598689732 /nfs/dbraw/zinc/68/97/32/598689732.db2.gz QMGBMVXNJCBJGZ-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736542021 598691476 /nfs/dbraw/zinc/69/14/76/598691476.db2.gz NDQHPLLFENCWQP-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@@H]21 ZINC000737980949 598719943 /nfs/dbraw/zinc/71/99/43/598719943.db2.gz HAPXPVRXZIRVCE-PBHICJAKSA-N -1 1 392.463 2.363 20 0 GEADMM CCS[C@@H]1CCCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736668186 598750713 /nfs/dbraw/zinc/75/07/13/598750713.db2.gz YMTGTSFAJSZCHT-SNVBAGLBSA-N -1 1 394.526 2.437 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000737199599 598764936 /nfs/dbraw/zinc/76/49/36/598764936.db2.gz ILGUHRXQSCEFAF-LBPRGKRZSA-N -1 1 398.471 2.172 20 0 GEADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735589236 598795339 /nfs/dbraw/zinc/79/53/39/598795339.db2.gz JETCIRSXWRLHPV-NSHDSACASA-N -1 1 377.880 2.294 20 0 GEADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735589236 598795341 /nfs/dbraw/zinc/79/53/41/598795341.db2.gz JETCIRSXWRLHPV-NSHDSACASA-N -1 1 377.880 2.294 20 0 GEADMM CC[C@H](CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)C ZINC000736332782 598817035 /nfs/dbraw/zinc/81/70/35/598817035.db2.gz OHFVSPIYTHXRNL-CYBMUJFWSA-N -1 1 387.488 2.453 20 0 GEADMM O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037331 599335844 /nfs/dbraw/zinc/33/58/44/599335844.db2.gz GBCOGNQHHBWNIO-ZDUSSCGKSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037331 599335846 /nfs/dbraw/zinc/33/58/46/599335846.db2.gz GBCOGNQHHBWNIO-ZDUSSCGKSA-N -1 1 379.207 2.032 20 0 GEADMM Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822694077 599336940 /nfs/dbraw/zinc/33/69/40/599336940.db2.gz UJBCQWYQPCQRHH-CQSZACIVSA-N -1 1 392.872 2.384 20 0 GEADMM CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821094439 599342274 /nfs/dbraw/zinc/34/22/74/599342274.db2.gz JKAAORJHJOITBP-CYBMUJFWSA-N -1 1 399.904 2.490 20 0 GEADMM CCc1nsc(N2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000821558823 599360621 /nfs/dbraw/zinc/36/06/21/599360621.db2.gz GMGSXWIXZWUEAY-UHFFFAOYSA-N -1 1 391.892 2.046 20 0 GEADMM CCc1nsc(N2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000821558823 599360624 /nfs/dbraw/zinc/36/06/24/599360624.db2.gz GMGSXWIXZWUEAY-UHFFFAOYSA-N -1 1 391.892 2.046 20 0 GEADMM CC[C@@H](Cc1ccc(C)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820914602 599362020 /nfs/dbraw/zinc/36/20/20/599362020.db2.gz PWDGEZQTSVMTJI-HNNXBMFYSA-N -1 1 386.481 2.212 20 0 GEADMM CC[C@@H](Cc1ccc(C)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820914602 599362023 /nfs/dbraw/zinc/36/20/23/599362023.db2.gz PWDGEZQTSVMTJI-HNNXBMFYSA-N -1 1 386.481 2.212 20 0 GEADMM C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820669028 599368501 /nfs/dbraw/zinc/36/85/01/599368501.db2.gz YTYFWVVIRFZFSN-MEDUHNTESA-N -1 1 388.428 2.173 20 0 GEADMM C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820669028 599368503 /nfs/dbraw/zinc/36/85/03/599368503.db2.gz YTYFWVVIRFZFSN-MEDUHNTESA-N -1 1 388.428 2.173 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000823601093 599373240 /nfs/dbraw/zinc/37/32/40/599373240.db2.gz QIISPQLKLADYOE-OAHLLOKOSA-N -1 1 377.376 2.281 20 0 GEADMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)NC(=S)N1Cc1ccccc1Cl ZINC000823503371 599380186 /nfs/dbraw/zinc/38/01/86/599380186.db2.gz FALITFKNFAQDOZ-GHXNOFRVSA-N -1 1 386.824 2.371 20 0 GEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)NC(=S)N1Cc1ccccc1Cl ZINC000823503371 599380187 /nfs/dbraw/zinc/38/01/87/599380187.db2.gz FALITFKNFAQDOZ-GHXNOFRVSA-N -1 1 386.824 2.371 20 0 GEADMM Cc1ccc(CNC(=O)C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1F ZINC000737341318 599409974 /nfs/dbraw/zinc/40/99/74/599409974.db2.gz FWGNLOWJKGQCGS-UHFFFAOYSA-N -1 1 395.442 2.242 20 0 GEADMM Cc1ccc(CNC(=O)C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1F ZINC000737341318 599409975 /nfs/dbraw/zinc/40/99/75/599409975.db2.gz FWGNLOWJKGQCGS-UHFFFAOYSA-N -1 1 395.442 2.242 20 0 GEADMM Cc1cc(NC(=O)CNc2cccc(-c3nnn[n-]3)n2)ccc1Br ZINC000737272778 599423130 /nfs/dbraw/zinc/42/31/30/599423130.db2.gz ZYTURMVKKXCNSF-UHFFFAOYSA-N -1 1 388.229 2.383 20 0 GEADMM Cc1cc(NC(=O)CNc2cccc(-c3nn[n-]n3)n2)ccc1Br ZINC000737272778 599423133 /nfs/dbraw/zinc/42/31/33/599423133.db2.gz ZYTURMVKKXCNSF-UHFFFAOYSA-N -1 1 388.229 2.383 20 0 GEADMM COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653746 599492904 /nfs/dbraw/zinc/49/29/04/599492904.db2.gz JUBGPYVMBNMEME-INIZCTEOSA-N -1 1 394.391 2.486 20 0 GEADMM COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653746 599492906 /nfs/dbraw/zinc/49/29/06/599492906.db2.gz JUBGPYVMBNMEME-INIZCTEOSA-N -1 1 394.391 2.486 20 0 GEADMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820864183 599493976 /nfs/dbraw/zinc/49/39/76/599493976.db2.gz XDXCFJGWSVRXGF-MLCYQJTMSA-N -1 1 390.513 2.388 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC2(c3ccccc3F)CC2)cc1-c1nn[n-]n1 ZINC000737188053 599495701 /nfs/dbraw/zinc/49/57/01/599495701.db2.gz WZGUJCPLPINSMK-UHFFFAOYSA-N -1 1 386.412 2.247 20 0 GEADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000821619218 599531776 /nfs/dbraw/zinc/53/17/76/599531776.db2.gz NZIZZBWJDWYWKM-AWEZNQCLSA-N -1 1 387.451 2.310 20 0 GEADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000821619218 599531777 /nfs/dbraw/zinc/53/17/77/599531777.db2.gz NZIZZBWJDWYWKM-AWEZNQCLSA-N -1 1 387.451 2.310 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000822459170 599548605 /nfs/dbraw/zinc/54/86/05/599548605.db2.gz OAILZINDHARYQJ-VXGBXAGGSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000822459170 599548607 /nfs/dbraw/zinc/54/86/07/599548607.db2.gz OAILZINDHARYQJ-VXGBXAGGSA-N -1 1 382.472 2.106 20 0 GEADMM NC(=O)C1(c2ccccc2)CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000822860153 599560852 /nfs/dbraw/zinc/56/08/52/599560852.db2.gz NXDYRAFWDGSJCS-UHFFFAOYSA-N -1 1 399.458 2.438 20 0 GEADMM NC(=O)C1(c2ccccc2)CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000822860153 599560853 /nfs/dbraw/zinc/56/08/53/599560853.db2.gz NXDYRAFWDGSJCS-UHFFFAOYSA-N -1 1 399.458 2.438 20 0 GEADMM CN(C)C(=O)c1cccc(CCNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000821579738 599584769 /nfs/dbraw/zinc/58/47/69/599584769.db2.gz MBCZWXOTCHBFOH-UHFFFAOYSA-N -1 1 377.861 2.333 20 0 GEADMM CN(C)C(=O)c1cccc(CCNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000821579738 599584772 /nfs/dbraw/zinc/58/47/72/599584772.db2.gz MBCZWXOTCHBFOH-UHFFFAOYSA-N -1 1 377.861 2.333 20 0 GEADMM Clc1nsc(N2CCn3c(Cc4ccccc4)nnc3C2)c1-c1nnn[n-]1 ZINC000822591120 599588465 /nfs/dbraw/zinc/58/84/65/599588465.db2.gz RGMTXADNWNKKBF-UHFFFAOYSA-N -1 1 399.871 2.179 20 0 GEADMM Clc1nsc(N2CCn3c(Cc4ccccc4)nnc3C2)c1-c1nn[n-]n1 ZINC000822591120 599588468 /nfs/dbraw/zinc/58/84/68/599588468.db2.gz RGMTXADNWNKKBF-UHFFFAOYSA-N -1 1 399.871 2.179 20 0 GEADMM Cc1ccc(N2CC[C@@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2=O)cc1 ZINC000822241184 599589162 /nfs/dbraw/zinc/58/91/62/599589162.db2.gz NNNVNRISQXQTBX-QGZVFWFLSA-N -1 1 385.431 2.363 20 0 GEADMM Cc1ccc(N2CC[C@@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2=O)cc1 ZINC000822241184 599589163 /nfs/dbraw/zinc/58/91/63/599589163.db2.gz NNNVNRISQXQTBX-QGZVFWFLSA-N -1 1 385.431 2.363 20 0 GEADMM CO[C@]1(C)C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821678192 599654780 /nfs/dbraw/zinc/65/47/80/599654780.db2.gz KTMUWWBWSGWTPH-HXPMCKFVSA-N -1 1 384.440 2.492 20 0 GEADMM CO[C@]1(C)C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821678192 599654781 /nfs/dbraw/zinc/65/47/81/599654781.db2.gz KTMUWWBWSGWTPH-HXPMCKFVSA-N -1 1 384.440 2.492 20 0 GEADMM CC1(C)C(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1(C)C ZINC000820583366 599696753 /nfs/dbraw/zinc/69/67/53/599696753.db2.gz CRJOHEKURQDJIK-UHFFFAOYSA-N -1 1 385.472 2.063 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCCNC(=O)[O-])CC1 ZINC000737123599 599729161 /nfs/dbraw/zinc/72/91/61/599729161.db2.gz XVGBBJSVTULUGZ-CQSZACIVSA-N -1 1 380.464 2.193 20 0 GEADMM CCc1[nH]c(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737243931 599746422 /nfs/dbraw/zinc/74/64/22/599746422.db2.gz ZYLBXVALJSKESY-GOSISDBHSA-N -1 1 398.507 2.302 20 0 GEADMM CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737369048 599775348 /nfs/dbraw/zinc/77/53/48/599775348.db2.gz DTLCKZSDHMKUDE-UHFFFAOYSA-N -1 1 388.392 2.009 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)COc1ccccc1Cc1ccccc1 ZINC000739336277 599779189 /nfs/dbraw/zinc/77/91/89/599779189.db2.gz AOBJEWQWLXBHPD-SFHVURJKSA-N -1 1 379.416 2.191 20 0 GEADMM CN1CCN(C[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737526575 599780638 /nfs/dbraw/zinc/78/06/38/599780638.db2.gz UUUABEHWOTYIDE-FQEVSTJZSA-N -1 1 396.491 2.173 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)c(C(=O)[O-])s1 ZINC000737680500 599813677 /nfs/dbraw/zinc/81/36/77/599813677.db2.gz JTBLSPWIVXXPKQ-UHFFFAOYSA-N -1 1 396.402 2.483 20 0 GEADMM C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736740427 599840082 /nfs/dbraw/zinc/84/00/82/599840082.db2.gz BDWMUHQAUPIKRK-DYESRHJHSA-N -1 1 385.464 2.229 20 0 GEADMM Cn1c(=O)oc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc21 ZINC000728187435 599850206 /nfs/dbraw/zinc/85/02/06/599850206.db2.gz IULYUOLOMBUBCE-UHFFFAOYSA-N -1 1 382.781 2.284 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000736650760 599854250 /nfs/dbraw/zinc/85/42/50/599854250.db2.gz PMGWXLFKUULGDJ-ZWNOBZJWSA-N -1 1 386.433 2.075 20 0 GEADMM CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820854289 607404026 /nfs/dbraw/zinc/40/40/26/607404026.db2.gz SRUNTWQCKFRLRP-QGZVFWFLSA-N -1 1 387.831 2.288 20 0 GEADMM CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820854289 607404028 /nfs/dbraw/zinc/40/40/28/607404028.db2.gz SRUNTWQCKFRLRP-QGZVFWFLSA-N -1 1 387.831 2.288 20 0 GEADMM CCOc1cc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)ccc1OCC(=O)[O-] ZINC000737185407 599935307 /nfs/dbraw/zinc/93/53/07/599935307.db2.gz QCGXCVAVGZCAAY-UHFFFAOYSA-N -1 1 396.403 2.264 20 0 GEADMM CCOc1cc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)ccc1OCC(=O)[O-] ZINC000737185407 599935309 /nfs/dbraw/zinc/93/53/09/599935309.db2.gz QCGXCVAVGZCAAY-UHFFFAOYSA-N -1 1 396.403 2.264 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000739426745 599959058 /nfs/dbraw/zinc/95/90/58/599959058.db2.gz NVDIVWJQUZSDPN-UHFFFAOYSA-N -1 1 399.382 2.187 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000739426745 599959062 /nfs/dbraw/zinc/95/90/62/599959062.db2.gz NVDIVWJQUZSDPN-UHFFFAOYSA-N -1 1 399.382 2.187 20 0 GEADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000737470362 599961818 /nfs/dbraw/zinc/96/18/18/599961818.db2.gz JUIXLCFHIPUDMJ-UHFFFAOYSA-N -1 1 380.404 2.040 20 0 GEADMM Cc1ccc2c(=O)c(C(=O)NC[C@H](Cc3cccc(F)c3)C(=O)[O-])c[n-]c2[nH+]1 ZINC000738663787 599984461 /nfs/dbraw/zinc/98/44/61/599984461.db2.gz DAFKNLVCJHNUGK-ZDUSSCGKSA-N -1 1 383.379 2.456 20 0 GEADMM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000736662302 600035939 /nfs/dbraw/zinc/03/59/39/600035939.db2.gz NVGXXYUOOVCBBJ-RDTXWAMCSA-N -1 1 396.443 2.147 20 0 GEADMM C[C@@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000736662300 600035947 /nfs/dbraw/zinc/03/59/47/600035947.db2.gz NVGXXYUOOVCBBJ-KDOFPFPSSA-N -1 1 396.443 2.147 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000738411129 600042938 /nfs/dbraw/zinc/04/29/38/600042938.db2.gz PIMFWMVPANYBHH-KRWDZBQOSA-N -1 1 381.432 2.022 20 0 GEADMM Cc1cccc(C[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000547566388 600096374 /nfs/dbraw/zinc/09/63/74/600096374.db2.gz UYXXDGVZQGHONB-ZDUSSCGKSA-N -1 1 396.396 2.264 20 0 GEADMM Cc1nc(-c2ccc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2)n[nH]1 ZINC000738821266 600097932 /nfs/dbraw/zinc/09/79/32/600097932.db2.gz LYJZKMILLTXHMJ-UHFFFAOYSA-N -1 1 376.369 2.418 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000738347415 600103767 /nfs/dbraw/zinc/10/37/67/600103767.db2.gz KYJUZFDRXOBFAT-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736218473 600132791 /nfs/dbraw/zinc/13/27/91/600132791.db2.gz OGPKKJXAAXXYEQ-LSDHHAIUSA-N -1 1 399.447 2.333 20 0 GEADMM CCC[C@@](C)(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000736959169 600154089 /nfs/dbraw/zinc/15/40/89/600154089.db2.gz DSSDGVCHILTOQI-HXUWFJFHSA-N -1 1 375.469 2.097 20 0 GEADMM O=C([O-])COc1cccc(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000739829634 600189315 /nfs/dbraw/zinc/18/93/15/600189315.db2.gz FBFOGNNAPSRZMA-UHFFFAOYSA-N -1 1 399.382 2.074 20 0 GEADMM O=C([O-])COc1cccc(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000739829634 600189316 /nfs/dbraw/zinc/18/93/16/600189316.db2.gz FBFOGNNAPSRZMA-UHFFFAOYSA-N -1 1 399.382 2.074 20 0 GEADMM C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736722833 600224779 /nfs/dbraw/zinc/22/47/79/600224779.db2.gz FBKXHNOKQWXDKI-CYBMUJFWSA-N -1 1 378.450 2.482 20 0 GEADMM CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737370469 600226617 /nfs/dbraw/zinc/22/66/17/600226617.db2.gz QXVXTLDJSLBHCC-UHFFFAOYSA-N -1 1 394.468 2.418 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)c(F)cc1F ZINC000740089718 600235781 /nfs/dbraw/zinc/23/57/81/600235781.db2.gz JEDUMLVMLPYDBP-UHFFFAOYSA-N -1 1 394.359 2.104 20 0 GEADMM COC(=O)c1c(N)sc(C(=O)[O-])c1CSc1nc(-c2ccccn2)n[nH]1 ZINC000737652346 600275102 /nfs/dbraw/zinc/27/51/02/600275102.db2.gz WHVGKEQEKBNYIP-UHFFFAOYSA-N -1 1 391.434 2.288 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736219151 600293759 /nfs/dbraw/zinc/29/37/59/600293759.db2.gz WXVMBJXCPYMJSH-MAUKXSAKSA-N -1 1 387.480 2.037 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738901619 600294189 /nfs/dbraw/zinc/29/41/89/600294189.db2.gz FXDOLUAFQAWOCE-IBGZPJMESA-N -1 1 396.491 2.292 20 0 GEADMM CCOc1cc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)ccc1OCC(=O)[O-] ZINC000737183390 600298270 /nfs/dbraw/zinc/29/82/70/600298270.db2.gz XOQMMGRQHXCZTH-HOCLYGCPSA-N -1 1 376.453 2.248 20 0 GEADMM CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737448910 600304524 /nfs/dbraw/zinc/30/45/24/600304524.db2.gz HMSGASDNOQTVMT-INIZCTEOSA-N -1 1 380.872 2.364 20 0 GEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCN(c3cccc(Cl)c3)CC1)CC2 ZINC000739533324 600304920 /nfs/dbraw/zinc/30/49/20/600304920.db2.gz WWXKUNQSOFGOLO-QGZVFWFLSA-N -1 1 391.899 2.175 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N2CCCN(Cc3ccccc3)CC2)c(F)c1 ZINC000422563586 600307153 /nfs/dbraw/zinc/30/71/53/600307153.db2.gz TXMWWTIUGNLXRX-UHFFFAOYSA-N -1 1 399.422 2.197 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738043667 600310436 /nfs/dbraw/zinc/31/04/36/600310436.db2.gz DWKFZNOJUJEGDE-VBQJREDUSA-N -1 1 390.480 2.456 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccco1 ZINC000737086054 600315821 /nfs/dbraw/zinc/31/58/21/600315821.db2.gz SYXRIZSVWSWDBY-HNNXBMFYSA-N -1 1 391.399 2.255 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737478188 600359702 /nfs/dbraw/zinc/35/97/02/600359702.db2.gz MQRKQZXXNFXYKJ-SFHVURJKSA-N -1 1 398.463 2.154 20 0 GEADMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1O ZINC000436998919 600391829 /nfs/dbraw/zinc/39/18/29/600391829.db2.gz ZTRJOKZYLFUZMW-UHFFFAOYSA-N -1 1 376.390 2.166 20 0 GEADMM COc1ccc(C(=O)N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)cc1OC ZINC000737922030 600399246 /nfs/dbraw/zinc/39/92/46/600399246.db2.gz FYWJMPKTDILFRU-IBGZPJMESA-N -1 1 384.432 2.288 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)N2CCCC2)cc1 ZINC000737957594 600485626 /nfs/dbraw/zinc/48/56/26/600485626.db2.gz PGSSNCLFDQBRHR-SJLPKXTDSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)N1CCCC1 ZINC000738118500 600486391 /nfs/dbraw/zinc/48/63/91/600486391.db2.gz CILDPCNKRHSWIR-WBVHZDCISA-N -1 1 375.469 2.338 20 0 GEADMM Cc1cc(CNC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)n[nH]1 ZINC000738386453 600491588 /nfs/dbraw/zinc/49/15/88/600491588.db2.gz YPIYJVVDUQAOLT-CYBMUJFWSA-N -1 1 381.230 2.496 20 0 GEADMM COc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c(C(=O)[O-])c1 ZINC000738028005 600492621 /nfs/dbraw/zinc/49/26/21/600492621.db2.gz LHPIXFBYFOVCJK-UHFFFAOYSA-N -1 1 382.376 2.028 20 0 GEADMM O=C([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000390568527 600518039 /nfs/dbraw/zinc/51/80/39/600518039.db2.gz UMSYYUDFQOTYGU-LJQANCHMSA-N -1 1 388.489 2.469 20 0 GEADMM C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661847 600522341 /nfs/dbraw/zinc/52/23/41/600522341.db2.gz ITTOBEJNZBFLPJ-UONOGXRCSA-N -1 1 395.459 2.259 20 0 GEADMM COc1ccc([C@@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)N(C)C)cc1OC ZINC000737956724 600534634 /nfs/dbraw/zinc/53/46/34/600534634.db2.gz CHQLBAYCELVUOB-CQSZACIVSA-N -1 1 391.424 2.097 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CNC3(C(=O)[O-])CCCC3)cc2)C[C@@H](C)O1 ZINC000736828335 600558204 /nfs/dbraw/zinc/55/82/04/600558204.db2.gz XIHPSLHEYDVVNO-HUUCEWRRSA-N -1 1 375.469 2.226 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@H](C)OC[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549022 607454832 /nfs/dbraw/zinc/45/48/32/607454832.db2.gz RZPXDZMATPYRAN-LRDDRELGSA-N -1 1 396.451 2.477 20 0 GEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000737168063 600578552 /nfs/dbraw/zinc/57/85/52/600578552.db2.gz LJPIHVJWRCXETB-NSHDSACASA-N -1 1 393.465 2.214 20 0 GEADMM Cc1oc(NC(=O)CN2CCOC[C@@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549369 607455450 /nfs/dbraw/zinc/45/54/50/607455450.db2.gz XQKLBQRHIMUTCC-OAHLLOKOSA-N -1 1 382.424 2.089 20 0 GEADMM CC(C)[C@@H](CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-])N1CCN(C)CC1 ZINC000736711873 600591244 /nfs/dbraw/zinc/59/12/44/600591244.db2.gz GXXZWTMMFRHEAZ-NVXWUHKLSA-N -1 1 393.553 2.254 20 0 GEADMM Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)cn1 ZINC000738887558 600613154 /nfs/dbraw/zinc/61/31/54/600613154.db2.gz DLVNCTAHPNUFDR-UHFFFAOYSA-N -1 1 390.190 2.186 20 0 GEADMM COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481976567 600625486 /nfs/dbraw/zinc/62/54/86/600625486.db2.gz ZWQFWNZMAQDTML-UHFFFAOYSA-N -1 1 378.406 2.082 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000736206881 600629697 /nfs/dbraw/zinc/62/96/97/600629697.db2.gz ZSBSYCXNFRFTBG-CQSZACIVSA-N -1 1 378.444 2.381 20 0 GEADMM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000740072819 600638657 /nfs/dbraw/zinc/63/86/57/600638657.db2.gz SFVQFLQPJOIZSY-UHFFFAOYSA-N -1 1 397.840 2.403 20 0 GEADMM O=C([O-])COc1cccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000739830487 600643154 /nfs/dbraw/zinc/64/31/54/600643154.db2.gz LPMIHFYPSMWJJJ-UHFFFAOYSA-N -1 1 398.463 2.009 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000738546055 600650879 /nfs/dbraw/zinc/65/08/79/600650879.db2.gz AQRAQKPTNDOVNT-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000738546055 600650880 /nfs/dbraw/zinc/65/08/80/600650880.db2.gz AQRAQKPTNDOVNT-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000830050116 600669416 /nfs/dbraw/zinc/66/94/16/600669416.db2.gz XYPWQFBWMHGNMI-OAHLLOKOSA-N -1 1 390.484 2.166 20 0 GEADMM Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000739059300 600672846 /nfs/dbraw/zinc/67/28/46/600672846.db2.gz YJMWJAKXQFFKKL-UHFFFAOYSA-N -1 1 394.359 2.259 20 0 GEADMM Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000299626577 600678644 /nfs/dbraw/zinc/67/86/44/600678644.db2.gz RLKMONIUWKVJBK-UHFFFAOYSA-N -1 1 379.438 2.208 20 0 GEADMM NC(=O)CCNc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489737723 600686351 /nfs/dbraw/zinc/68/63/51/600686351.db2.gz BJFRAIIFQYRHKA-UHFFFAOYSA-N -1 1 397.840 2.126 20 0 GEADMM Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccccc2)N(C)C)ccc1C(=O)[O-] ZINC000505816624 600691635 /nfs/dbraw/zinc/69/16/35/600691635.db2.gz ZGBOJLFLDHKSIX-MRXNPFEDSA-N -1 1 376.478 2.144 20 0 GEADMM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN(CCC(=O)[O-])C1CCOCC1)C2=O ZINC000828157100 600719165 /nfs/dbraw/zinc/71/91/65/600719165.db2.gz YVDGMKXHMNAOII-JLTOFOAXSA-N -1 1 395.500 2.036 20 0 GEADMM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000830596559 600719476 /nfs/dbraw/zinc/71/94/76/600719476.db2.gz TUNDZZOAIFXHBV-MRXNPFEDSA-N -1 1 396.896 2.489 20 0 GEADMM O=C([O-])[C@@H](c1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000577380569 600733916 /nfs/dbraw/zinc/73/39/16/600733916.db2.gz CUHHMTKRLNDIQV-MRXNPFEDSA-N -1 1 398.481 2.456 20 0 GEADMM Cc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1C(=O)[O-] ZINC000832956252 600770526 /nfs/dbraw/zinc/77/05/26/600770526.db2.gz SXMSWPZVQBMQHY-UHFFFAOYSA-N -1 1 398.550 2.333 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000830954688 600780578 /nfs/dbraw/zinc/78/05/78/600780578.db2.gz FMZCVYJTNVGCGX-FQEVSTJZSA-N -1 1 381.476 2.032 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCN1Cc1ccccc1 ZINC000382595136 600789334 /nfs/dbraw/zinc/78/93/34/600789334.db2.gz KFBZYEXNFZIDOX-HNNXBMFYSA-N -1 1 391.493 2.008 20 0 GEADMM COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000614868710 600812374 /nfs/dbraw/zinc/81/23/74/600812374.db2.gz HXGONSANPLEXFL-UHFFFAOYSA-N -1 1 392.433 2.204 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1C(=O)[O-] ZINC000588631368 600814646 /nfs/dbraw/zinc/81/46/46/600814646.db2.gz CAJRHDNLWSZKIQ-UHFFFAOYSA-N -1 1 387.421 2.187 20 0 GEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCC(=O)N1CCC[C@H]1C)CC2 ZINC000832103451 600817382 /nfs/dbraw/zinc/81/73/82/600817382.db2.gz QRBXQLIDLDSNRH-RHSMWYFYSA-N -1 1 390.480 2.479 20 0 GEADMM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)[O-] ZINC000832955875 600829898 /nfs/dbraw/zinc/82/98/98/600829898.db2.gz QXFAYAVXKFTXEV-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM 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GEADMM Cc1ccc(S(=O)(=O)NCCN(C)[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832955930 601039233 /nfs/dbraw/zinc/03/92/33/601039233.db2.gz SHFFEUZSFYAIRM-QGZVFWFLSA-N -1 1 380.441 2.170 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000827369075 601094270 /nfs/dbraw/zinc/09/42/70/601094270.db2.gz NKAWSCCSJULJKG-NSHDSACASA-N -1 1 399.278 2.191 20 0 GEADMM O=C([O-])c1ccsc1N1CC[C@H](OC(=O)c2cc(-c3ccco3)n[nH]2)C1=O ZINC000833350927 601098513 /nfs/dbraw/zinc/09/85/13/601098513.db2.gz HDPJQDHAUPIFLT-ZDUSSCGKSA-N -1 1 387.373 2.392 20 0 GEADMM Cc1cc(C)n(Cc2cccc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c2)n1 ZINC000630225704 601100588 /nfs/dbraw/zinc/10/05/88/601100588.db2.gz WJMNEEGSROADHU-MRXNPFEDSA-N -1 1 384.480 2.169 20 0 GEADMM COc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1OCC(C)C ZINC000630222158 601101861 /nfs/dbraw/zinc/10/18/61/601101861.db2.gz DDOXJMCHAQTNQH-OAHLLOKOSA-N -1 1 378.469 2.351 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000827363083 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CCCc1nc([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)CCO2)n[nH]1 ZINC000829571468 601778897 /nfs/dbraw/zinc/77/88/97/601778897.db2.gz SLHDLXJCLJASJN-ZDUSSCGKSA-N -1 1 395.366 2.339 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)CCO2)n1 ZINC000829571468 601778898 /nfs/dbraw/zinc/77/88/98/601778898.db2.gz SLHDLXJCLJASJN-ZDUSSCGKSA-N -1 1 395.366 2.339 20 0 GEADMM CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000830604154 601799867 /nfs/dbraw/zinc/79/98/67/601799867.db2.gz HWHFGZDNXWOWQV-UHFFFAOYSA-N -1 1 398.525 2.425 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000832532855 601803197 /nfs/dbraw/zinc/80/31/97/601803197.db2.gz GDWOCIGKXWCDID-OLMNPRSZSA-N -1 1 375.469 2.194 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc(F)c1F ZINC000751144513 601835522 /nfs/dbraw/zinc/83/55/22/601835522.db2.gz CXFKTONEUQQJCY-UHFFFAOYSA-N -1 1 380.332 2.045 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c(Cl)cc1F ZINC000058496955 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ZINC000824141369 607535241 /nfs/dbraw/zinc/53/52/41/607535241.db2.gz GQYQCMYTOHEACG-UHFFFAOYSA-N -1 1 378.483 2.131 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000831930501 601957073 /nfs/dbraw/zinc/95/70/73/601957073.db2.gz ZMBBUHQMIUMNBD-TUAOUCFPSA-N -1 1 390.527 2.100 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000739322108 601966413 /nfs/dbraw/zinc/96/64/13/601966413.db2.gz YYLNWRBQLYOKDC-NSHDSACASA-N -1 1 396.245 2.287 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000739322108 601966416 /nfs/dbraw/zinc/96/64/16/601966416.db2.gz YYLNWRBQLYOKDC-NSHDSACASA-N -1 1 396.245 2.287 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CN1Cc1ccccc1 ZINC000828168873 601969056 /nfs/dbraw/zinc/96/90/56/601969056.db2.gz RGKJZSFSBDTXPB-QAPCUYQASA-N -1 1 395.459 2.031 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398154081 601990317 /nfs/dbraw/zinc/99/03/17/601990317.db2.gz 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Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740116213 602021128 /nfs/dbraw/zinc/02/11/28/602021128.db2.gz ARRKKAIPTRGRFN-CVEARBPZSA-N -1 1 378.473 2.414 20 0 GEADMM CCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000825268380 607540332 /nfs/dbraw/zinc/54/03/32/607540332.db2.gz UJDMJMLTXYPZIT-FQEVSTJZSA-N -1 1 391.435 2.399 20 0 GEADMM CCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000825268380 607540334 /nfs/dbraw/zinc/54/03/34/607540334.db2.gz UJDMJMLTXYPZIT-FQEVSTJZSA-N -1 1 391.435 2.399 20 0 GEADMM NS(=O)(=O)C[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833087740 602041921 /nfs/dbraw/zinc/04/19/21/602041921.db2.gz CPHSCZFMKIHODT-TVQRCGJNSA-N -1 1 381.281 2.120 20 0 GEADMM CN(C)C(=O)CCN1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000830547035 602050778 /nfs/dbraw/zinc/05/07/78/602050778.db2.gz CKXHSHIURZCABG-INIZCTEOSA-N -1 1 388.295 2.215 20 0 GEADMM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000833100736 602058162 /nfs/dbraw/zinc/05/81/62/602058162.db2.gz LNUPWAVLCOOGMA-LSDHHAIUSA-N -1 1 386.452 2.223 20 0 GEADMM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000833099866 602058356 /nfs/dbraw/zinc/05/83/56/602058356.db2.gz JWCOUAKDXPHLLE-MSOLQXFVSA-N -1 1 388.512 2.134 20 0 GEADMM O=C([O-])N1CCC(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000740417197 602058860 /nfs/dbraw/zinc/05/88/60/602058860.db2.gz PKANHVZHQXVBJH-INIZCTEOSA-N -1 1 378.473 2.496 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946054 602061857 /nfs/dbraw/zinc/06/18/57/602061857.db2.gz QSBQTBLURUBGTB-LESCRADOSA-N -1 1 392.500 2.376 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739060796 602090161 /nfs/dbraw/zinc/09/01/61/602090161.db2.gz VXJAOEFUBVXWLL-XJKSGUPXSA-N -1 1 397.435 2.062 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000832725044 602113452 /nfs/dbraw/zinc/11/34/52/602113452.db2.gz 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388.489 2.209 20 0 GEADMM O=C([O-])c1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1F ZINC000833136287 602381962 /nfs/dbraw/zinc/38/19/62/602381962.db2.gz ZBCAFKIHUGVDQO-MRXNPFEDSA-N -1 1 387.411 2.065 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000833154037 602402694 /nfs/dbraw/zinc/40/26/94/602402694.db2.gz MQYBVAYZYGNFIJ-INIZCTEOSA-N -1 1 399.422 2.243 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC(CN(C)C(=O)[O-])CC2)N(C)C)c1 ZINC000739944250 602413944 /nfs/dbraw/zinc/41/39/44/602413944.db2.gz DBDIAAUURGZKJG-GOSISDBHSA-N -1 1 392.500 2.329 20 0 GEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739017876 602445592 /nfs/dbraw/zinc/44/55/92/602445592.db2.gz YJLKESFKWODOPN-NWDGAFQWSA-N -1 1 380.420 2.230 20 0 GEADMM CCOc1ccc(CN(C)C(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739502096 602447624 /nfs/dbraw/zinc/44/76/24/602447624.db2.gz MTXWUMWRAUHJQK-OAHLLOKOSA-N -1 1 377.485 2.412 20 0 GEADMM CCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739550997 602451057 /nfs/dbraw/zinc/45/10/57/602451057.db2.gz ULHIQSQSQNXMFM-KRWDZBQOSA-N -1 1 388.512 2.195 20 0 GEADMM O=C([O-])N1CCC[C@@H](CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000740512215 602452470 /nfs/dbraw/zinc/45/24/70/602452470.db2.gz NWZYBJPNAJQLBP-INIZCTEOSA-N -1 1 384.480 2.245 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)[O-])N1CCCC1 ZINC000739964117 602493159 /nfs/dbraw/zinc/49/31/59/602493159.db2.gz PLLREFSPVUTGNO-IRXDYDNUSA-N -1 1 375.469 2.481 20 0 GEADMM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737679564 602531570 /nfs/dbraw/zinc/53/15/70/602531570.db2.gz AZPHPXWHCYOXAI-UONOGXRCSA-N -1 1 391.468 2.098 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1OC ZINC000738090139 602531913 /nfs/dbraw/zinc/53/19/13/602531913.db2.gz ARQJLPMLDWHPSN-AWEZNQCLSA-N -1 1 393.484 2.125 20 0 GEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739994071 602542536 /nfs/dbraw/zinc/54/25/36/602542536.db2.gz AIJBNCRWSGVLPK-UHFFFAOYSA-N -1 1 389.433 2.347 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740079100 602553756 /nfs/dbraw/zinc/55/37/56/602553756.db2.gz FNEXAYHCIXXTFK-MRXNPFEDSA-N -1 1 389.500 2.210 20 0 GEADMM O=C([O-])N[C@H](CCC(=O)N[C@H](c1nn[nH]n1)c1ccccc1)c1ccccc1 ZINC000740541553 602569698 /nfs/dbraw/zinc/56/96/98/602569698.db2.gz ZTHXVJAAKQLUHF-WBVHZDCISA-N -1 1 380.408 2.194 20 0 GEADMM COc1ccc([C@H](CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])N2CCCC2)cc1 ZINC000739895448 602611307 /nfs/dbraw/zinc/61/13/07/602611307.db2.gz JUPXXJAURUVBJH-YOEHRIQHSA-N -1 1 378.473 2.130 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739455503 602689416 /nfs/dbraw/zinc/68/94/16/602689416.db2.gz ITUJQKLGDBFDTG-INIZCTEOSA-N -1 1 389.500 2.340 20 0 GEADMM O=S(=O)(NCCSc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491387 607581039 /nfs/dbraw/zinc/58/10/39/607581039.db2.gz HNEWCMDNVBRYJI-UHFFFAOYSA-N -1 1 379.442 2.076 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(Cc1cccnc1)C1CC1 ZINC000826495503 607581468 /nfs/dbraw/zinc/58/14/68/607581468.db2.gz RJKQXVOOIUIQCM-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(Cc1cccnc1)C1CC1 ZINC000826495503 607581470 /nfs/dbraw/zinc/58/14/70/607581470.db2.gz RJKQXVOOIUIQCM-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM O=C([O-])N1CCC[C@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000740512518 602703174 /nfs/dbraw/zinc/70/31/74/602703174.db2.gz PDTFHIIXAQDWHP-CQSZACIVSA-N -1 1 391.497 2.306 20 0 GEADMM Cc1cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1F ZINC000826266802 607582039 /nfs/dbraw/zinc/58/20/39/607582039.db2.gz BWFNEGGBGHIUDB-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM COc1ccc(C=O)c(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826190666 607585744 /nfs/dbraw/zinc/58/57/44/607585744.db2.gz IVESCNWOUGRMNP-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000824641193 607586377 /nfs/dbraw/zinc/58/63/77/607586377.db2.gz SYGQAZQAEGRNQN-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000824641193 607586378 /nfs/dbraw/zinc/58/63/78/607586378.db2.gz SYGQAZQAEGRNQN-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@@H](CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)NC(=O)[O-] ZINC000824704269 602796440 /nfs/dbraw/zinc/79/64/40/602796440.db2.gz ZMIRZBJKBBJFNH-AWEZNQCLSA-N -1 1 376.457 2.486 20 0 GEADMM CC(C)[C@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)NC(=O)[O-] ZINC000738790282 602796464 /nfs/dbraw/zinc/79/64/64/602796464.db2.gz VTUNRSICCPWDCK-KRWDZBQOSA-N -1 1 380.464 2.382 20 0 GEADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)C[C@H](C)NC(=O)[O-])CC2)c1C ZINC000829066894 602846968 /nfs/dbraw/zinc/84/69/68/602846968.db2.gz NRZGQMOHVCQIRY-AWEZNQCLSA-N -1 1 392.500 2.176 20 0 GEADMM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(c3ccnc4cc(F)ccc43)C2)CC1 ZINC000740524291 602862611 /nfs/dbraw/zinc/86/26/11/602862611.db2.gz BGOOODOACCQPCY-AWEZNQCLSA-N -1 1 386.427 2.413 20 0 GEADMM COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826208877 607592364 /nfs/dbraw/zinc/59/23/64/607592364.db2.gz DGBCMWKPGMOWFU-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826208877 607592366 /nfs/dbraw/zinc/59/23/66/607592366.db2.gz DGBCMWKPGMOWFU-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM O=S(=O)(NCc1cc2c(s1)CCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491850 607592557 /nfs/dbraw/zinc/59/25/57/607592557.db2.gz FXBSKRIAUPPZPF-UHFFFAOYSA-N -1 1 393.469 2.425 20 0 GEADMM O=S(=O)(NCc1cc2c(s1)CCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491850 607592559 /nfs/dbraw/zinc/59/25/59/607592559.db2.gz FXBSKRIAUPPZPF-UHFFFAOYSA-N -1 1 393.469 2.425 20 0 GEADMM CC(C)Oc1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824332878 607593652 /nfs/dbraw/zinc/59/36/52/607593652.db2.gz ABFQIEXMNOBUJV-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM Cc1ccccc1C(=O)N[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC000822344836 607596805 /nfs/dbraw/zinc/59/68/05/607596805.db2.gz BBJGDPKAXOZYQZ-KRWDZBQOSA-N -1 1 394.435 2.068 20 0 GEADMM Cc1ccccc1C(=O)N[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC000822344836 607596807 /nfs/dbraw/zinc/59/68/07/607596807.db2.gz BBJGDPKAXOZYQZ-KRWDZBQOSA-N -1 1 394.435 2.068 20 0 GEADMM O=S(=O)(N[C@H]1CCc2c1cccc2F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489639 607596850 /nfs/dbraw/zinc/59/68/50/607596850.db2.gz WHVVDWFQGLVHMZ-AWEZNQCLSA-N -1 1 377.376 2.111 20 0 GEADMM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000740625552 602975843 /nfs/dbraw/zinc/97/58/43/602975843.db2.gz LCFNIXWQJSOHRG-LDYMZIIASA-N -1 1 381.230 2.492 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488602 607598257 /nfs/dbraw/zinc/59/82/57/607598257.db2.gz UPQBNEQFVQKWBM-DGCLKSJQSA-N -1 1 375.841 2.355 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488602 607598258 /nfs/dbraw/zinc/59/82/58/607598258.db2.gz UPQBNEQFVQKWBM-DGCLKSJQSA-N -1 1 375.841 2.355 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CCCCC2)CCO1 ZINC000739063462 602992700 /nfs/dbraw/zinc/99/27/00/602992700.db2.gz JQVTXZXCWYFDBH-HZPDHXFCSA-N -1 1 381.517 2.353 20 0 GEADMM CC(C)C[C@H](NC(=O)[O-])c1noc(CCNC(=O)c2n[nH]c3ccccc32)n1 ZINC000738814290 603001215 /nfs/dbraw/zinc/00/12/15/603001215.db2.gz BPXRINQPMMEXBF-ZDUSSCGKSA-N -1 1 386.412 2.273 20 0 GEADMM O=S(=O)(NCCc1ccccc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491662 607599699 /nfs/dbraw/zinc/59/96/99/607599699.db2.gz UOAVFMWPAPIPEC-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])N1CCCC1 ZINC000739957764 603012508 /nfs/dbraw/zinc/01/25/08/603012508.db2.gz JLYYITGKACBURV-UAGQMJEPSA-N -1 1 375.469 2.385 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])N2CCCC2)c1 ZINC000739945262 603013401 /nfs/dbraw/zinc/01/34/01/603013401.db2.gz JGCYPZTXBSTAQU-BZSNNMDCSA-N -1 1 375.469 2.385 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739184773 603020052 /nfs/dbraw/zinc/02/00/52/603020052.db2.gz LZKNNEGCYDHQRV-OHDICMOHSA-N -1 1 389.496 2.348 20 0 GEADMM O=S(=O)(NCc1cccc2cccnc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491813 607601131 /nfs/dbraw/zinc/60/11/31/607601131.db2.gz COSZOMHQLLGGFL-UHFFFAOYSA-N -1 1 384.396 2.033 20 0 GEADMM COC(=O)[C@H](C)Sc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826103417 607601986 /nfs/dbraw/zinc/60/19/86/607601986.db2.gz GJOVLOZKNCUCTA-NSHDSACASA-N -1 1 399.432 2.272 20 0 GEADMM COC(=O)[C@H](C)Sc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826103417 607601987 /nfs/dbraw/zinc/60/19/87/607601987.db2.gz GJOVLOZKNCUCTA-NSHDSACASA-N -1 1 399.432 2.272 20 0 GEADMM Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826304955 607603547 /nfs/dbraw/zinc/60/35/47/607603547.db2.gz FUPAIVRZXBMJNK-ZDUSSCGKSA-N -1 1 389.412 2.116 20 0 GEADMM Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826304955 607603549 /nfs/dbraw/zinc/60/35/49/607603549.db2.gz FUPAIVRZXBMJNK-ZDUSSCGKSA-N -1 1 389.412 2.116 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2)n1 ZINC000740681559 603059867 /nfs/dbraw/zinc/05/98/67/603059867.db2.gz NAKPCQBDMJLGES-HNNXBMFYSA-N -1 1 379.376 2.182 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2)n[nH]1 ZINC000740681559 603059872 /nfs/dbraw/zinc/05/98/72/603059872.db2.gz NAKPCQBDMJLGES-HNNXBMFYSA-N -1 1 379.376 2.182 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COCc3ccccc3)cc2)n1 ZINC000740681354 603059969 /nfs/dbraw/zinc/05/99/69/603059969.db2.gz HSCXJNMNHZXJPD-UHFFFAOYSA-N -1 1 381.392 2.395 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COCc3ccccc3)cc2)n[nH]1 ZINC000740681354 603059974 /nfs/dbraw/zinc/05/99/74/603059974.db2.gz HSCXJNMNHZXJPD-UHFFFAOYSA-N -1 1 381.392 2.395 20 0 GEADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000740465094 603069924 /nfs/dbraw/zinc/06/99/24/603069924.db2.gz LTDFUICDOMDTSN-BBRMVZONSA-N -1 1 384.367 2.421 20 0 GEADMM CC1CCN(c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cn2)CC1 ZINC000824961126 607605020 /nfs/dbraw/zinc/60/50/20/607605020.db2.gz BJIRRIGRCHWVLU-UHFFFAOYSA-N -1 1 379.424 2.250 20 0 GEADMM CC1CCN(c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cn2)CC1 ZINC000824961126 607605021 /nfs/dbraw/zinc/60/50/21/607605021.db2.gz BJIRRIGRCHWVLU-UHFFFAOYSA-N -1 1 379.424 2.250 20 0 GEADMM Cc1ccccc1OCCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826307470 607609069 /nfs/dbraw/zinc/60/90/69/607609069.db2.gz JUPYGELNPYWZCL-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nc(C)cs1 ZINC000825148098 607609697 /nfs/dbraw/zinc/60/96/97/607609697.db2.gz OJLSFGJJXKGAIG-SNVBAGLBSA-N -1 1 382.446 2.200 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148098 607609699 /nfs/dbraw/zinc/60/96/99/607609699.db2.gz OJLSFGJJXKGAIG-SNVBAGLBSA-N -1 1 382.446 2.200 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccnc1 ZINC000824640781 607610996 /nfs/dbraw/zinc/61/09/96/607610996.db2.gz OVLYOQXMPCYQJF-VIFPVBQESA-N -1 1 398.370 2.320 20 0 GEADMM CN(c1ccc(Cl)cn1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826004234 607611876 /nfs/dbraw/zinc/61/18/76/607611876.db2.gz OWGNSXXYYOSJJB-UHFFFAOYSA-N -1 1 385.236 2.394 20 0 GEADMM CN(c1ccc(Cl)cn1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826004234 607611877 /nfs/dbraw/zinc/61/18/77/607611877.db2.gz OWGNSXXYYOSJJB-UHFFFAOYSA-N -1 1 385.236 2.394 20 0 GEADMM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000740732624 603183643 /nfs/dbraw/zinc/18/36/43/603183643.db2.gz LKIHYEIHEUBYLJ-UHFFFAOYSA-N -1 1 388.401 2.194 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824257695 603250557 /nfs/dbraw/zinc/25/05/57/603250557.db2.gz UBFZPPYAUGHVAN-NXHRZFHOSA-N -1 1 377.485 2.104 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000830084274 603258195 /nfs/dbraw/zinc/25/81/95/603258195.db2.gz IMLZPBRDDYNWEI-QAPCUYQASA-N -1 1 389.500 2.305 20 0 GEADMM O=S(=O)(NCc1ccc2ccccc2n1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492033 607617711 /nfs/dbraw/zinc/61/77/11/607617711.db2.gz PHVLZHCQWALZHW-UHFFFAOYSA-N -1 1 384.396 2.033 20 0 GEADMM C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000826056369 603270315 /nfs/dbraw/zinc/27/03/15/603270315.db2.gz CBCZREZGHQIYCO-HPFXQQBRSA-N -1 1 377.485 2.247 20 0 GEADMM CSCC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826228209 607620184 /nfs/dbraw/zinc/62/01/84/607620184.db2.gz IKZASYBBJCMJFC-MRVPVSSYSA-N -1 1 395.432 2.305 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@H]3CCCN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000826058027 603319201 /nfs/dbraw/zinc/31/92/01/603319201.db2.gz MHVJOCIQBXQIRK-GPMSIDNRSA-N -1 1 389.496 2.445 20 0 GEADMM C[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662964 603340316 /nfs/dbraw/zinc/34/03/16/603340316.db2.gz QGALIXRIZYOPTO-LPHOPBHVSA-N -1 1 389.496 2.202 20 0 GEADMM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NC[C@H](c1ccco1)N1CCCCC1 ZINC000740361150 603382552 /nfs/dbraw/zinc/38/25/52/603382552.db2.gz AQKGTWCHRJAQMY-HZPDHXFCSA-N -1 1 379.457 2.082 20 0 GEADMM C[C@@H](O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000824706909 607627909 /nfs/dbraw/zinc/62/79/09/607627909.db2.gz LRJMZBDZWGKWMA-SNVBAGLBSA-N -1 1 393.856 2.052 20 0 GEADMM C[C@@H](O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000824708057 607628017 /nfs/dbraw/zinc/62/80/17/607628017.db2.gz WNSYCQPCQNWLFB-SNVBAGLBSA-N -1 1 393.856 2.052 20 0 GEADMM C[C@@H](O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000824708057 607628018 /nfs/dbraw/zinc/62/80/18/607628018.db2.gz WNSYCQPCQNWLFB-SNVBAGLBSA-N -1 1 393.856 2.052 20 0 GEADMM CN(C)Cc1cc(CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000737368796 603421584 /nfs/dbraw/zinc/42/15/84/603421584.db2.gz UWIAUKLHBHEILX-UHFFFAOYSA-N -1 1 388.399 2.232 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])c2C1 ZINC000738768233 603428699 /nfs/dbraw/zinc/42/86/99/603428699.db2.gz QEGJASQKSIWEFI-AWEZNQCLSA-N -1 1 390.484 2.101 20 0 GEADMM C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824706046 607630816 /nfs/dbraw/zinc/63/08/16/607630816.db2.gz GFUIGXBUUNXPKA-LLVKDONJSA-N -1 1 399.904 2.224 20 0 GEADMM C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824706046 607630818 /nfs/dbraw/zinc/63/08/18/607630818.db2.gz GFUIGXBUUNXPKA-LLVKDONJSA-N -1 1 399.904 2.224 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000831552234 603482214 /nfs/dbraw/zinc/48/22/14/603482214.db2.gz FAUQDJBJVJNHFR-ZJUUUORDSA-N -1 1 388.540 2.300 20 0 GEADMM O=C([O-])N1CCC(n2cccc2C(=O)Nc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000831810727 603484815 /nfs/dbraw/zinc/48/48/15/603484815.db2.gz RBEKMOOBBHYYGS-UHFFFAOYSA-N -1 1 381.396 2.235 20 0 GEADMM COc1ccc(-c2cc(C(=O)N(C)C3CCN(C(=O)[O-])CC3)n[nH]2)cc1OC ZINC000829234963 603527456 /nfs/dbraw/zinc/52/74/56/603527456.db2.gz WYEQNCCNSKNNGY-UHFFFAOYSA-N -1 1 388.424 2.308 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1)NC(=O)[O-] ZINC000824091557 603569026 /nfs/dbraw/zinc/56/90/26/603569026.db2.gz HARLFDUNCXVJMV-LJQANCHMSA-N -1 1 390.528 2.188 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000828788774 603579097 /nfs/dbraw/zinc/57/90/97/603579097.db2.gz LISLUHNYLWFXOX-UHFFFAOYSA-N -1 1 380.378 2.373 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)CCCCC2)CCO1 ZINC000825734179 603584344 /nfs/dbraw/zinc/58/43/44/603584344.db2.gz LBQCPVZPHNHORO-CVEARBPZSA-N -1 1 381.517 2.353 20 0 GEADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828235332 603586522 /nfs/dbraw/zinc/58/65/22/603586522.db2.gz GPKZDXOLTZCXKT-HKUYNNGSSA-N -1 1 387.480 2.256 20 0 GEADMM CCC(CC)N(CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C1CC1 ZINC000826572739 603593718 /nfs/dbraw/zinc/59/37/18/603593718.db2.gz ZNAVCAWVTXQPEV-YJYMSZOUSA-N -1 1 380.489 2.345 20 0 GEADMM C[C@@H]1CCC[C@H](C)N(CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889317 603604707 /nfs/dbraw/zinc/60/47/07/603604707.db2.gz WOIKIYZIMFXVGJ-MMMWYMCRSA-N -1 1 380.489 2.203 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CN1CCC3(C1)CCCCC3)C2=O ZINC000832498367 603606722 /nfs/dbraw/zinc/60/67/22/603606722.db2.gz HEFLRDAULFZPTL-QRWLVFNGSA-N -1 1 392.500 2.349 20 0 GEADMM COc1ccc([C@H](CNC(=O)CC2CN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000829311822 603633292 /nfs/dbraw/zinc/63/32/92/603633292.db2.gz QRIYAEGLKTXWSM-SFHVURJKSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000832506557 603700103 /nfs/dbraw/zinc/70/01/03/603700103.db2.gz QSALYEZKIGPEQO-YJBOKZPZSA-N -1 1 389.500 2.172 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Cc1cccs1 ZINC000824426342 607646291 /nfs/dbraw/zinc/64/62/91/607646291.db2.gz DHTBORDBMNZCDK-JTQLQIEISA-N -1 1 381.458 2.224 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Cc1cccs1 ZINC000824426342 607646293 /nfs/dbraw/zinc/64/62/93/607646293.db2.gz DHTBORDBMNZCDK-JTQLQIEISA-N -1 1 381.458 2.224 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000826495036 607649474 /nfs/dbraw/zinc/64/94/74/607649474.db2.gz AHAAHXJVYSUOIB-CQSZACIVSA-N -1 1 395.460 2.118 20 0 GEADMM Cc1cccc(F)c1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826298347 607651067 /nfs/dbraw/zinc/65/10/67/607651067.db2.gz OVIMYRKUVNAYLR-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM Cc1cccc(F)c1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826298347 607651068 /nfs/dbraw/zinc/65/10/68/607651068.db2.gz OVIMYRKUVNAYLR-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000832349995 603840729 /nfs/dbraw/zinc/84/07/29/603840729.db2.gz LTATWAOSWJWNBA-MSOLQXFVSA-N -1 1 381.517 2.164 20 0 GEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[C@@H](C)O1 ZINC000826050273 603861229 /nfs/dbraw/zinc/86/12/29/603861229.db2.gz VFGHHNGQZWJRII-HEIDADNPSA-N -1 1 393.528 2.398 20 0 GEADMM CCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCOCC1 ZINC000825171551 607657597 /nfs/dbraw/zinc/65/75/97/607657597.db2.gz RMAWDMYHFUVQHP-UHFFFAOYSA-N -1 1 385.877 2.005 20 0 GEADMM CCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCOCC1 ZINC000825171551 607657599 /nfs/dbraw/zinc/65/75/99/607657599.db2.gz RMAWDMYHFUVQHP-UHFFFAOYSA-N -1 1 385.877 2.005 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CSC(F)(F)F)cc2)n1 ZINC000832729936 603910858 /nfs/dbraw/zinc/91/08/58/603910858.db2.gz LMQCLGQNNKUUHI-UHFFFAOYSA-N -1 1 375.332 2.431 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CSC(F)(F)F)cc2)n[nH]1 ZINC000832729936 603910860 /nfs/dbraw/zinc/91/08/60/603910860.db2.gz LMQCLGQNNKUUHI-UHFFFAOYSA-N -1 1 375.332 2.431 20 0 GEADMM O=C([O-])N[C@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1ccccc1 ZINC000832134594 603928345 /nfs/dbraw/zinc/92/83/45/603928345.db2.gz CXXDIZXCDAOBAS-CQSZACIVSA-N -1 1 384.417 2.363 20 0 GEADMM CCCc1nnc([C@@H]2CN(C(=O)[C@H]3CCCCCC[C@@H]3NC(=O)[O-])CCO2)[nH]1 ZINC000826954720 603952332 /nfs/dbraw/zinc/95/23/32/603952332.db2.gz VBFCXLMUTDXCRX-KKUMJFAQSA-N -1 1 393.488 2.264 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCCCCC[C@@H]3NC(=O)[O-])CCO2)n1 ZINC000826954720 603952335 /nfs/dbraw/zinc/95/23/35/603952335.db2.gz VBFCXLMUTDXCRX-KKUMJFAQSA-N -1 1 393.488 2.264 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2cccc3c2CCN3C(=O)[O-])C[C@@H](C)O1 ZINC000826057981 603973653 /nfs/dbraw/zinc/97/36/53/603973653.db2.gz LRKNLDACUNYTSH-ZIAGYGMSSA-N -1 1 376.457 2.348 20 0 GEADMM O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493726 607663693 /nfs/dbraw/zinc/66/36/93/607663693.db2.gz ZTHCVAMOTMTKKL-UHFFFAOYSA-N -1 1 389.412 2.374 20 0 GEADMM O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493726 607663695 /nfs/dbraw/zinc/66/36/95/607663695.db2.gz ZTHCVAMOTMTKKL-UHFFFAOYSA-N -1 1 389.412 2.374 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827418803 604014373 /nfs/dbraw/zinc/01/43/73/604014373.db2.gz SDLXCWKSOKLHIM-CABCVRRESA-N -1 1 390.484 2.212 20 0 GEADMM C[C@H](NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825073912 604052256 /nfs/dbraw/zinc/05/22/56/604052256.db2.gz DNKZHQLGVXMWBZ-XOBRGWDASA-N -1 1 392.475 2.145 20 0 GEADMM Cc1ccc(N2CC[C@@H](N3CCC(OCCCNC(=O)[O-])CC3)C2=O)cc1 ZINC000830340075 604104015 /nfs/dbraw/zinc/10/40/15/604104015.db2.gz JDLLQVTZTRMYBU-GOSISDBHSA-N -1 1 375.469 2.239 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)N(C)C)c1 ZINC000829545128 604108774 /nfs/dbraw/zinc/10/87/74/604108774.db2.gz ZQXBSKAEDMJRBB-LESCRADOSA-N -1 1 392.500 2.376 20 0 GEADMM C[C@H]1CN(CCCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736807997 604155799 /nfs/dbraw/zinc/15/57/99/604155799.db2.gz HUSFJDVWDOPMBM-GJZGRUSLSA-N -1 1 378.473 2.118 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])N(C)C)c1 ZINC000829543421 604161066 /nfs/dbraw/zinc/16/10/66/604161066.db2.gz KGNPZBPYEBDSFY-SOLBZPMBSA-N -1 1 390.484 2.224 20 0 GEADMM O=S(=O)(NCc1nc(C2CC2)cs1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492497 607675808 /nfs/dbraw/zinc/67/58/08/607675808.db2.gz NYISTWADCUXXHW-UHFFFAOYSA-N -1 1 396.885 2.333 20 0 GEADMM O=S(=O)(NCc1nc(C2CC2)cs1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492497 607675809 /nfs/dbraw/zinc/67/58/09/607675809.db2.gz NYISTWADCUXXHW-UHFFFAOYSA-N -1 1 396.885 2.333 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000825263797 604171500 /nfs/dbraw/zinc/17/15/00/604171500.db2.gz IGQHHIGYNDICIS-UONOGXRCSA-N -1 1 390.509 2.323 20 0 GEADMM O=S(=O)(NCCC[C@H]1CCCC[C@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490813 607676871 /nfs/dbraw/zinc/67/68/71/607676871.db2.gz INXVNDAHCLERES-DGCLKSJQSA-N -1 1 399.904 2.130 20 0 GEADMM O=S(=O)(NCCC[C@H]1CCCC[C@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490813 607676872 /nfs/dbraw/zinc/67/68/72/607676872.db2.gz INXVNDAHCLERES-DGCLKSJQSA-N -1 1 399.904 2.130 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1F ZINC000829356502 604180413 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BKNKXQDPMGURPS-HMFYCAOWSA-N -1 1 387.524 2.200 20 0 GEADMM C[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000833629131 605296346 /nfs/dbraw/zinc/29/63/46/605296346.db2.gz FKZKLBGEJFVPFS-LAUBAEHRSA-N -1 1 384.476 2.390 20 0 GEADMM CC[C@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@@H]1NC(=O)[O-] ZINC000833849562 605315583 /nfs/dbraw/zinc/31/55/83/605315583.db2.gz SFENQQZNMURART-YOEHRIQHSA-N -1 1 380.464 2.465 20 0 GEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc2C1 ZINC000834195132 605330621 /nfs/dbraw/zinc/33/06/21/605330621.db2.gz ISOLHVWSAJRBNF-GFCCVEGCSA-N -1 1 378.388 2.300 20 0 GEADMM C[C@@H](NC(=O)CN(C(=O)[O-])c1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000825116239 605362497 /nfs/dbraw/zinc/36/24/97/605362497.db2.gz ZKUKWMOACOMZFY-MRXNPFEDSA-N -1 1 375.469 2.321 20 0 GEADMM O=C([O-])N1CC[C@](F)(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834085077 605374851 /nfs/dbraw/zinc/37/48/51/605374851.db2.gz PHYJWKMXGBPYIC-IFXJQAMLSA-N -1 1 387.415 2.270 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1-c1ccc(Cl)cc1 ZINC000833742846 605403971 /nfs/dbraw/zinc/40/39/71/605403971.db2.gz YAZPBIJULXECKX-CYBMUJFWSA-N -1 1 390.871 2.455 20 0 GEADMM CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(NC(=O)[O-])cc3[O-])CC2)CC1 ZINC000824356065 605422525 /nfs/dbraw/zinc/42/25/25/605422525.db2.gz CJGBQFXRISNAHC-UHFFFAOYSA-N -1 1 390.484 2.113 20 0 GEADMM COc1ccc(C2(CNC(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)CCC2)cc1 ZINC000833730908 605433330 /nfs/dbraw/zinc/43/33/30/605433330.db2.gz KEYDYNJTIRBPBH-MRXNPFEDSA-N -1 1 389.496 2.307 20 0 GEADMM CC1([C@@H]2CCCN([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)OCCO1 ZINC000833565208 605441381 /nfs/dbraw/zinc/44/13/81/605441381.db2.gz ZDAJSVYZJIWVFH-TZMCWYRMSA-N -1 1 380.466 2.027 20 0 GEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000834128267 605442791 /nfs/dbraw/zinc/44/27/91/605442791.db2.gz AXDRLDIXFQNAEC-NEPJUHHUSA-N -1 1 379.367 2.427 20 0 GEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c2c1 ZINC000833744459 605467722 /nfs/dbraw/zinc/46/77/22/605467722.db2.gz AWKITVBNNQVCRR-LBPRGKRZSA-N -1 1 375.400 2.009 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)NC(C)(C)CNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000826057705 605561441 /nfs/dbraw/zinc/56/14/41/605561441.db2.gz JXUZQJPIKSBBSY-GJZGRUSLSA-N -1 1 392.500 2.141 20 0 GEADMM O=C(CC[C@@H]1CCCN1C(=O)[O-])Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000833997472 605567944 /nfs/dbraw/zinc/56/79/44/605567944.db2.gz YYJMDUOWDIJGNK-AWEZNQCLSA-N -1 1 387.440 2.261 20 0 GEADMM C[C@@H](CNC(=O)C[C@H]1CSCCN1C(=O)[O-])N1CCc2ccccc2C1 ZINC000824920989 605603657 /nfs/dbraw/zinc/60/36/57/605603657.db2.gz AGEFTJLDTQRCCQ-YOEHRIQHSA-N -1 1 377.510 2.035 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833791972 605618528 /nfs/dbraw/zinc/61/85/28/605618528.db2.gz XDLYFVYURSIXEY-BMIGLBTASA-N -1 1 381.392 2.245 20 0 GEADMM N=C(NOCc1coc(-c2ccc(Cl)cc2)n1)[C@@H]1COCCN1C(=O)[O-] ZINC000833980489 605731606 /nfs/dbraw/zinc/73/16/06/605731606.db2.gz OSUNQXVYLRVENC-ZDUSSCGKSA-N -1 1 380.788 2.372 20 0 GEADMM O=C([O-])N[C@@H]1C[C@H](NCCS(=O)(=O)NCc2ccccc2)c2ccccc21 ZINC000834157643 605794423 /nfs/dbraw/zinc/79/44/23/605794423.db2.gz ILQLHQOYYRQUEG-ZWKOTPCHSA-N -1 1 389.477 2.149 20 0 GEADMM O=C([O-])N[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000834159607 605795320 /nfs/dbraw/zinc/79/53/20/605795320.db2.gz QPZUDTNZYWCHHW-IAGOWNOFSA-N -1 1 375.450 2.008 20 0 GEADMM Cc1cc(C[C@@H](C)NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830028591 605805484 /nfs/dbraw/zinc/80/54/84/605805484.db2.gz ALPCODWQVZKNPO-CQSZACIVSA-N -1 1 385.468 2.390 20 0 GEADMM O=C([O-])N1CC[C@@H](CCC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834071175 605812965 /nfs/dbraw/zinc/81/29/65/605812965.db2.gz GFYHUALZTKZTEP-GOSISDBHSA-N -1 1 381.517 2.118 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833790094 605898696 /nfs/dbraw/zinc/89/86/96/605898696.db2.gz MJXGUYDXGKZWPC-ZDUSSCGKSA-N -1 1 375.425 2.208 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833550970 605902209 /nfs/dbraw/zinc/90/22/09/605902209.db2.gz ZTIGBMVVAFABAU-HIFRSBDPSA-N -1 1 399.422 2.414 20 0 GEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000834059639 605975935 /nfs/dbraw/zinc/97/59/35/605975935.db2.gz QGXVTEHJGQAGMC-KRWDZBQOSA-N -1 1 387.480 2.362 20 0 GEADMM CN(C)C(=O)CCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821575589 606020991 /nfs/dbraw/zinc/02/09/91/606020991.db2.gz HZNANEOEVJMPAJ-UHFFFAOYSA-N -1 1 398.492 2.470 20 0 GEADMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154817 606120923 /nfs/dbraw/zinc/12/09/23/606120923.db2.gz KTUREQDSBGNGIO-LLVKDONJSA-N -1 1 388.840 2.117 20 0 GEADMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154817 606120925 /nfs/dbraw/zinc/12/09/25/606120925.db2.gz KTUREQDSBGNGIO-LLVKDONJSA-N -1 1 388.840 2.117 20 0 GEADMM CCn1nc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cc1C1CC1 ZINC000821568533 606128363 /nfs/dbraw/zinc/12/83/63/606128363.db2.gz YDLSVFJVVHHXMJ-UHFFFAOYSA-N -1 1 386.441 2.035 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCc2sccc2C1 ZINC000820508297 606133388 /nfs/dbraw/zinc/13/33/88/606133388.db2.gz ODRAWOYWVYUPJY-VIFPVBQESA-N -1 1 389.462 2.120 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCc2sccc2C1 ZINC000820508297 606133391 /nfs/dbraw/zinc/13/33/91/606133391.db2.gz ODRAWOYWVYUPJY-VIFPVBQESA-N -1 1 389.462 2.120 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCc2ccccc2C1 ZINC000820508318 606137054 /nfs/dbraw/zinc/13/70/54/606137054.db2.gz OQOFIRWTXINJLI-LLVKDONJSA-N -1 1 383.433 2.058 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCc2ccccc2C1 ZINC000820508318 606137056 /nfs/dbraw/zinc/13/70/56/606137056.db2.gz OQOFIRWTXINJLI-LLVKDONJSA-N -1 1 383.433 2.058 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1nccs1 ZINC000823600911 606147172 /nfs/dbraw/zinc/14/71/72/606147172.db2.gz MELLSPJERBMHKB-CYBMUJFWSA-N -1 1 394.457 2.378 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnc2ccccc2n1 ZINC000822010067 606154405 /nfs/dbraw/zinc/15/44/05/606154405.db2.gz LWGFKIXPINNWIA-UHFFFAOYSA-N -1 1 390.407 2.099 20 0 GEADMM Cc1cccc(NC2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1 ZINC000822324109 606161642 /nfs/dbraw/zinc/16/16/42/606161642.db2.gz VRVWHQQYFQEIST-UHFFFAOYSA-N -1 1 381.444 2.017 20 0 GEADMM Cc1cccc(NC2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1 ZINC000822324109 606161644 /nfs/dbraw/zinc/16/16/44/606161644.db2.gz VRVWHQQYFQEIST-UHFFFAOYSA-N -1 1 381.444 2.017 20 0 GEADMM COc1ccc(C[C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)cc1 ZINC000821791031 606161684 /nfs/dbraw/zinc/16/16/84/606161684.db2.gz ZMHKPVPGOYFLQM-CQSZACIVSA-N -1 1 396.455 2.095 20 0 GEADMM COc1ccc(C[C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)cc1 ZINC000821791031 606161686 /nfs/dbraw/zinc/16/16/86/606161686.db2.gz ZMHKPVPGOYFLQM-CQSZACIVSA-N -1 1 396.455 2.095 20 0 GEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000486897717 606162487 /nfs/dbraw/zinc/16/24/87/606162487.db2.gz SEPDMSDHSXDRFX-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822233408 606163551 /nfs/dbraw/zinc/16/35/51/606163551.db2.gz OECPBMGCLKUBNU-ZBFHGGJFSA-N -1 1 396.455 2.198 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822233408 606163552 /nfs/dbraw/zinc/16/35/52/606163552.db2.gz OECPBMGCLKUBNU-ZBFHGGJFSA-N -1 1 396.455 2.198 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000822609296 606165724 /nfs/dbraw/zinc/16/57/24/606165724.db2.gz LYLYWCNEFUPPML-UHFFFAOYSA-N -1 1 391.439 2.493 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000822609296 606165726 /nfs/dbraw/zinc/16/57/26/606165726.db2.gz LYLYWCNEFUPPML-UHFFFAOYSA-N -1 1 391.439 2.493 20 0 GEADMM CCOc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821417368 606168124 /nfs/dbraw/zinc/16/81/24/606168124.db2.gz MIJHLISVZZYDQA-HNNXBMFYSA-N -1 1 382.428 2.368 20 0 GEADMM CCOc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821417368 606168126 /nfs/dbraw/zinc/16/81/26/606168126.db2.gz MIJHLISVZZYDQA-HNNXBMFYSA-N -1 1 382.428 2.368 20 0 GEADMM Cc1cc(Cl)ccc1OCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822202244 606168658 /nfs/dbraw/zinc/16/86/58/606168658.db2.gz SBRSEJZGDXGVEA-UHFFFAOYSA-N -1 1 390.835 2.153 20 0 GEADMM Cc1cc(Cl)ccc1OCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822202244 606168661 /nfs/dbraw/zinc/16/86/61/606168661.db2.gz SBRSEJZGDXGVEA-UHFFFAOYSA-N -1 1 390.835 2.153 20 0 GEADMM CC(C)c1[nH]nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1Br ZINC000820198489 606193851 /nfs/dbraw/zinc/19/38/51/606193851.db2.gz XZAIAEAMCZXQSG-UHFFFAOYSA-N -1 1 392.217 2.434 20 0 GEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nnn1-c1ccc(C)cc1 ZINC000822224994 606196926 /nfs/dbraw/zinc/19/69/26/606196926.db2.gz IVMHBBSGJGROEG-UHFFFAOYSA-N -1 1 376.380 2.022 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C[C@@H](C)O2 ZINC000822280473 606202332 /nfs/dbraw/zinc/20/23/32/606202332.db2.gz OWSWMHKEPDVTHH-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM CCSCC[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821456127 606293966 /nfs/dbraw/zinc/29/39/66/606293966.db2.gz NSBHOJYBGZCYBK-SECBINFHSA-N -1 1 382.515 2.293 20 0 GEADMM O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823070554 606296965 /nfs/dbraw/zinc/29/69/65/606296965.db2.gz FBTUVNQIVWQTEU-UHFFFAOYSA-N -1 1 385.405 2.074 20 0 GEADMM COc1ccc(-c2nc(S[C@@H]3CCCOC3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732658 606360861 /nfs/dbraw/zinc/36/08/61/606360861.db2.gz RQCIWVJEKQVHBL-GFCCVEGCSA-N -1 1 386.437 2.309 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2CCC(=O)CC2)c1-c1nn[n-]n1 ZINC000822486433 606381342 /nfs/dbraw/zinc/38/13/42/606381342.db2.gz JYTHQRMMBIHHTH-UHFFFAOYSA-N -1 1 380.408 2.163 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(-c3nn[n-]n3)s2)N(C)C(=O)N1C ZINC000820641262 606393249 /nfs/dbraw/zinc/39/32/49/606393249.db2.gz BGYHERROOQUQLB-AWEZNQCLSA-N -1 1 390.469 2.440 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1C1CC1 ZINC000820637503 606394925 /nfs/dbraw/zinc/39/49/25/606394925.db2.gz YKNJDETXYUCZEJ-AWEZNQCLSA-N -1 1 388.453 2.383 20 0 GEADMM Fc1ccc2[nH]c(CCNc3c4ccccc4nnc3-c3nn[n-]n3)nc2c1 ZINC000822782742 606439547 /nfs/dbraw/zinc/43/95/47/606439547.db2.gz DWBAQKVMIFFLEQ-UHFFFAOYSA-N -1 1 375.371 2.480 20 0 GEADMM CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821230788 606471728 /nfs/dbraw/zinc/47/17/28/606471728.db2.gz RHJGUIWCDXWLMV-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM CN(Cc1ccc([S@@](C)=O)cc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821611077 606477267 /nfs/dbraw/zinc/47/72/67/606477267.db2.gz PSOKLAYSOVTKNS-HHHXNRCGSA-N -1 1 379.449 2.184 20 0 GEADMM CN(Cc1ccc([S@@](C)=O)cc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821611077 606477269 /nfs/dbraw/zinc/47/72/69/606477269.db2.gz PSOKLAYSOVTKNS-HHHXNRCGSA-N -1 1 379.449 2.184 20 0 GEADMM O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823250397 606501169 /nfs/dbraw/zinc/50/11/69/606501169.db2.gz WWYUWBNUPXEHGH-UHFFFAOYSA-N -1 1 382.449 2.094 20 0 GEADMM O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250397 606501170 /nfs/dbraw/zinc/50/11/70/606501170.db2.gz WWYUWBNUPXEHGH-UHFFFAOYSA-N -1 1 382.449 2.094 20 0 GEADMM C[C@H]1CCN(c2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)ccn2)C1 ZINC000820727096 606523294 /nfs/dbraw/zinc/52/32/94/606523294.db2.gz GOHBMMXGXQXGPT-LBPRGKRZSA-N -1 1 395.471 2.312 20 0 GEADMM C[C@H]1CCN(c2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)ccn2)C1 ZINC000820727096 606523296 /nfs/dbraw/zinc/52/32/96/606523296.db2.gz GOHBMMXGXQXGPT-LBPRGKRZSA-N -1 1 395.471 2.312 20 0 GEADMM CCCCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821071309 606526623 /nfs/dbraw/zinc/52/66/23/606526623.db2.gz ARYNPRWUGLDCNR-UHFFFAOYSA-N -1 1 384.465 2.388 20 0 GEADMM CCCCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821071309 606526626 /nfs/dbraw/zinc/52/66/26/606526626.db2.gz ARYNPRWUGLDCNR-UHFFFAOYSA-N -1 1 384.465 2.388 20 0 GEADMM CCN(CC)C(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC000821170523 606531394 /nfs/dbraw/zinc/53/13/94/606531394.db2.gz RVOWRWIYAGYYAC-UHFFFAOYSA-N -1 1 376.486 2.229 20 0 GEADMM CCN(CC)C(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000821170523 606531396 /nfs/dbraw/zinc/53/13/96/606531396.db2.gz RVOWRWIYAGYYAC-UHFFFAOYSA-N -1 1 376.486 2.229 20 0 GEADMM COc1ccc(-n2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000821769879 606533234 /nfs/dbraw/zinc/53/32/34/606533234.db2.gz LONYAVPPTKADAV-UHFFFAOYSA-N -1 1 381.421 2.053 20 0 GEADMM COc1ccc(-n2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000821769879 606533235 /nfs/dbraw/zinc/53/32/35/606533235.db2.gz LONYAVPPTKADAV-UHFFFAOYSA-N -1 1 381.421 2.053 20 0 GEADMM O=C(Nc1ccccc1)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823368345 606533722 /nfs/dbraw/zinc/53/37/22/606533722.db2.gz VBAQHDNOBAGWHP-UHFFFAOYSA-N -1 1 397.464 2.355 20 0 GEADMM O=C(Nc1ccccc1)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823368345 606533724 /nfs/dbraw/zinc/53/37/24/606533724.db2.gz VBAQHDNOBAGWHP-UHFFFAOYSA-N -1 1 397.464 2.355 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(=O)OC1CCCCC1 ZINC000822535091 606547847 /nfs/dbraw/zinc/54/78/47/606547847.db2.gz GJWVUUSPWBJTEY-UHFFFAOYSA-N -1 1 398.423 2.165 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(=O)OC1CCCCC1 ZINC000822535091 606547849 /nfs/dbraw/zinc/54/78/49/606547849.db2.gz GJWVUUSPWBJTEY-UHFFFAOYSA-N -1 1 398.423 2.165 20 0 GEADMM O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823224141 606555955 /nfs/dbraw/zinc/55/59/55/606555955.db2.gz QSCAVGDHDZUCGE-UHFFFAOYSA-N -1 1 383.462 2.419 20 0 GEADMM O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823224141 606555957 /nfs/dbraw/zinc/55/59/57/606555957.db2.gz QSCAVGDHDZUCGE-UHFFFAOYSA-N -1 1 383.462 2.419 20 0 GEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821161533 606556593 /nfs/dbraw/zinc/55/65/93/606556593.db2.gz ZEHMCOGSPMDPOC-CYBMUJFWSA-N -1 1 382.449 2.196 20 0 GEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821161533 606556595 /nfs/dbraw/zinc/55/65/95/606556595.db2.gz ZEHMCOGSPMDPOC-CYBMUJFWSA-N -1 1 382.449 2.196 20 0 GEADMM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-c3nnn[n-]3)s1)C(=O)N2 ZINC000821486627 606556658 /nfs/dbraw/zinc/55/66/58/606556658.db2.gz JBDQVQUTSLEKOF-LLVKDONJSA-N -1 1 382.449 2.346 20 0 GEADMM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-c3nn[n-]n3)s1)C(=O)N2 ZINC000821486627 606556659 /nfs/dbraw/zinc/55/66/59/606556659.db2.gz JBDQVQUTSLEKOF-LLVKDONJSA-N -1 1 382.449 2.346 20 0 GEADMM CC(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(-c2ncccn2)n1 ZINC000820187811 606559743 /nfs/dbraw/zinc/55/97/43/606559743.db2.gz TWIXCJCAFMRZHM-UHFFFAOYSA-N -1 1 381.425 2.280 20 0 GEADMM CC(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(-c2ncccn2)n1 ZINC000820187811 606559744 /nfs/dbraw/zinc/55/97/44/606559744.db2.gz TWIXCJCAFMRZHM-UHFFFAOYSA-N -1 1 381.425 2.280 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2cccc(F)c2F)CC1 ZINC000823483625 606564438 /nfs/dbraw/zinc/56/44/38/606564438.db2.gz KGSROOTZNVJAOP-UHFFFAOYSA-N -1 1 376.392 2.169 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2cccc(F)c2F)CC1 ZINC000823483625 606564439 /nfs/dbraw/zinc/56/44/39/606564439.db2.gz KGSROOTZNVJAOP-UHFFFAOYSA-N -1 1 376.392 2.169 20 0 GEADMM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822035729 606564882 /nfs/dbraw/zinc/56/48/82/606564882.db2.gz YXILDSNJXWEAQV-UHFFFAOYSA-N -1 1 377.451 2.034 20 0 GEADMM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822035729 606564884 /nfs/dbraw/zinc/56/48/84/606564884.db2.gz YXILDSNJXWEAQV-UHFFFAOYSA-N -1 1 377.451 2.034 20 0 GEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000821573436 606564943 /nfs/dbraw/zinc/56/49/43/606564943.db2.gz QDZXGAAZPORYQF-CYBMUJFWSA-N -1 1 382.449 2.196 20 0 GEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000821573436 606564945 /nfs/dbraw/zinc/56/49/45/606564945.db2.gz QDZXGAAZPORYQF-CYBMUJFWSA-N -1 1 382.449 2.196 20 0 GEADMM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822237170 606568640 /nfs/dbraw/zinc/56/86/40/606568640.db2.gz IFIXFOTXOBNMDD-UHFFFAOYSA-N -1 1 384.465 2.321 20 0 GEADMM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(CC)CC ZINC000821362107 606577465 /nfs/dbraw/zinc/57/74/65/606577465.db2.gz YKJAKSRNJCFFGR-OLZOCXBDSA-N -1 1 376.465 2.048 20 0 GEADMM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(CC)CC ZINC000821362107 606577466 /nfs/dbraw/zinc/57/74/66/606577466.db2.gz YKJAKSRNJCFFGR-OLZOCXBDSA-N -1 1 376.465 2.048 20 0 GEADMM CN(C)c1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2n1 ZINC000821588367 606579518 /nfs/dbraw/zinc/57/95/18/606579518.db2.gz ORIUAFZPOOYJND-UHFFFAOYSA-N -1 1 379.449 2.472 20 0 GEADMM CN(C)c1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2n1 ZINC000821588367 606579520 /nfs/dbraw/zinc/57/95/20/606579520.db2.gz ORIUAFZPOOYJND-UHFFFAOYSA-N -1 1 379.449 2.472 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000822541740 606585253 /nfs/dbraw/zinc/58/52/53/606585253.db2.gz PUJATOSTISSXAE-XJKSGUPXSA-N -1 1 384.440 2.350 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000822541740 606585256 /nfs/dbraw/zinc/58/52/56/606585256.db2.gz PUJATOSTISSXAE-XJKSGUPXSA-N -1 1 384.440 2.350 20 0 GEADMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821394818 606589926 /nfs/dbraw/zinc/58/99/26/606589926.db2.gz OBBQYMLYVHOCJQ-UHFFFAOYSA-N -1 1 386.437 2.281 20 0 GEADMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821394818 606589928 /nfs/dbraw/zinc/58/99/28/606589928.db2.gz OBBQYMLYVHOCJQ-UHFFFAOYSA-N -1 1 386.437 2.281 20 0 GEADMM O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823167143 606593998 /nfs/dbraw/zinc/59/39/98/606593998.db2.gz XWZLBSUSYCKQPH-JTQLQIEISA-N -1 1 383.355 2.410 20 0 GEADMM O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823167143 606593999 /nfs/dbraw/zinc/59/39/99/606593999.db2.gz XWZLBSUSYCKQPH-JTQLQIEISA-N -1 1 383.355 2.410 20 0 GEADMM COc1ccc(-c2nc(SCCC(C)(C)O)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731377 606631841 /nfs/dbraw/zinc/63/18/41/606631841.db2.gz BVWMSEHVBUXOSD-UHFFFAOYSA-N -1 1 388.453 2.291 20 0 GEADMM Cc1nc2cc(F)cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2nc1C ZINC000822459795 606647304 /nfs/dbraw/zinc/64/73/04/606647304.db2.gz WWHLKBDYMYKDCU-UHFFFAOYSA-N -1 1 379.355 2.318 20 0 GEADMM Cc1nc2cc(F)cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2nc1C ZINC000822459795 606647305 /nfs/dbraw/zinc/64/73/05/606647305.db2.gz WWHLKBDYMYKDCU-UHFFFAOYSA-N -1 1 379.355 2.318 20 0 GEADMM COc1ccc(C2(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000821782366 606647348 /nfs/dbraw/zinc/64/73/48/606647348.db2.gz DHFOOTWFNITHBS-UHFFFAOYSA-N -1 1 395.419 2.062 20 0 GEADMM COc1ccc(C2(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CCOCC2)cc1 ZINC000821782366 606647349 /nfs/dbraw/zinc/64/73/49/606647349.db2.gz DHFOOTWFNITHBS-UHFFFAOYSA-N -1 1 395.419 2.062 20 0 GEADMM CCOc1cn(-c2ccccc2)nc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821436997 606647915 /nfs/dbraw/zinc/64/79/15/606647915.db2.gz IXUORRNQURPSIS-UHFFFAOYSA-N -1 1 391.391 2.203 20 0 GEADMM CCOc1cn(-c2ccccc2)nc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821436997 606647916 /nfs/dbraw/zinc/64/79/16/606647916.db2.gz IXUORRNQURPSIS-UHFFFAOYSA-N -1 1 391.391 2.203 20 0 GEADMM O=C(COc1cccc(Br)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823044734 606649134 /nfs/dbraw/zinc/64/91/34/606649134.db2.gz ZRQOMSCGEMIPTG-UHFFFAOYSA-N -1 1 390.197 2.146 20 0 GEADMM O=C(COc1cccc(Br)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823044734 606649135 /nfs/dbraw/zinc/64/91/35/606649135.db2.gz ZRQOMSCGEMIPTG-UHFFFAOYSA-N -1 1 390.197 2.146 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccn(-c2c(F)cccc2F)n1 ZINC000823435865 606649963 /nfs/dbraw/zinc/64/99/63/606649963.db2.gz BVCLYGIJSWAHBR-UHFFFAOYSA-N -1 1 383.318 2.083 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccn(-c2c(F)cccc2F)n1 ZINC000823435865 606649964 /nfs/dbraw/zinc/64/99/64/606649964.db2.gz BVCLYGIJSWAHBR-UHFFFAOYSA-N -1 1 383.318 2.083 20 0 GEADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820668560 606650332 /nfs/dbraw/zinc/65/03/32/606650332.db2.gz UVZXONFOMLNRJE-ABAIWWIYSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820668560 606650333 /nfs/dbraw/zinc/65/03/33/606650333.db2.gz UVZXONFOMLNRJE-ABAIWWIYSA-N -1 1 378.392 2.213 20 0 GEADMM CCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1Cc1ccccc1 ZINC000821465800 606652688 /nfs/dbraw/zinc/65/26/88/606652688.db2.gz PXTSSQYIQDPRHY-UHFFFAOYSA-N -1 1 389.419 2.426 20 0 GEADMM CCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1Cc1ccccc1 ZINC000821465800 606652689 /nfs/dbraw/zinc/65/26/89/606652689.db2.gz PXTSSQYIQDPRHY-UHFFFAOYSA-N -1 1 389.419 2.426 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000823436375 606653872 /nfs/dbraw/zinc/65/38/72/606653872.db2.gz SFNIOFMNQCACKO-UHFFFAOYSA-N -1 1 385.815 2.267 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000823436375 606653873 /nfs/dbraw/zinc/65/38/73/606653873.db2.gz SFNIOFMNQCACKO-UHFFFAOYSA-N -1 1 385.815 2.267 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)CCOCC2CC2)c1-c1nn[n-]n1 ZINC000821989891 606695767 /nfs/dbraw/zinc/69/57/67/606695767.db2.gz NOZJIHALVXFJFV-UHFFFAOYSA-N -1 1 388.497 2.360 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1Cl ZINC000822496180 606713243 /nfs/dbraw/zinc/71/32/43/606713243.db2.gz DKHLMANSBJPLRF-UHFFFAOYSA-N -1 1 388.240 2.016 20 0 GEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822228824 606746317 /nfs/dbraw/zinc/74/63/17/606746317.db2.gz GHJZTNUWCQTXLC-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823583135 606779630 /nfs/dbraw/zinc/77/96/30/606779630.db2.gz IKJLQERZIMQUEQ-UHFFFAOYSA-N -1 1 399.358 2.287 20 0 GEADMM COc1cc(OC)cc(N2CC[C@H](CNc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000821724088 606804859 /nfs/dbraw/zinc/80/48/59/606804859.db2.gz PRKHONAUNMBYPA-CYBMUJFWSA-N -1 1 381.440 2.217 20 0 GEADMM COc1cc(OC)cc(N2CC[C@H](CNc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000821724088 606804860 /nfs/dbraw/zinc/80/48/60/606804860.db2.gz PRKHONAUNMBYPA-CYBMUJFWSA-N -1 1 381.440 2.217 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CCCCCC1 ZINC000820777119 606821126 /nfs/dbraw/zinc/82/11/26/606821126.db2.gz PGUOSCRPGYGVMY-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CCCCCC1 ZINC000820777119 606821127 /nfs/dbraw/zinc/82/11/27/606821127.db2.gz PGUOSCRPGYGVMY-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCCCCCC1 ZINC000820775823 606821261 /nfs/dbraw/zinc/82/12/61/606821261.db2.gz JHSQPCSRJIGGBP-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCCCCCC1 ZINC000820775823 606821262 /nfs/dbraw/zinc/82/12/62/606821262.db2.gz JHSQPCSRJIGGBP-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM CC(C)CCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820072658 606824474 /nfs/dbraw/zinc/82/44/74/606824474.db2.gz JUKPKUOULGGQTC-HNNXBMFYSA-N -1 1 386.504 2.300 20 0 GEADMM CC(C)CCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820072658 606824476 /nfs/dbraw/zinc/82/44/76/606824476.db2.gz JUKPKUOULGGQTC-HNNXBMFYSA-N -1 1 386.504 2.300 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)CC(C)(C)C ZINC000820220285 606824526 /nfs/dbraw/zinc/82/45/26/606824526.db2.gz QCPVWSYULZHRST-ZIAGYGMSSA-N -1 1 386.504 2.156 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)CC(C)(C)C ZINC000820220285 606824527 /nfs/dbraw/zinc/82/45/27/606824527.db2.gz QCPVWSYULZHRST-ZIAGYGMSSA-N -1 1 386.504 2.156 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000823123257 606825955 /nfs/dbraw/zinc/82/59/55/606825955.db2.gz UVKUFBXSDXPRIC-GOSISDBHSA-N -1 1 396.426 2.215 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc(F)c(F)c2F)c(-c2nn[n-]n2)c1C ZINC000822548833 606827629 /nfs/dbraw/zinc/82/76/29/606827629.db2.gz OVOKKWNVCDXVRZ-UHFFFAOYSA-N -1 1 395.297 2.289 20 0 GEADMM CC[C@H]1CC[C@@H](C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)O1 ZINC000820972576 606827990 /nfs/dbraw/zinc/82/79/90/606827990.db2.gz PMCFZGAXSBKOSG-HOCLYGCPSA-N -1 1 382.424 2.362 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)c1 ZINC000822248864 606832200 /nfs/dbraw/zinc/83/22/00/606832200.db2.gz QVTIQRULWIYEOT-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)c1 ZINC000822248864 606832202 /nfs/dbraw/zinc/83/22/02/606832202.db2.gz QVTIQRULWIYEOT-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821614387 606840859 /nfs/dbraw/zinc/84/08/59/606840859.db2.gz DFHLFBOVWRAWCI-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(OC2CCCC2)CC1 ZINC000823600704 606844708 /nfs/dbraw/zinc/84/47/08/606844708.db2.gz KYSDEXMPMXTKJC-UHFFFAOYSA-N -1 1 395.460 2.118 20 0 GEADMM COc1cccc(OC)c1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000821877579 606849502 /nfs/dbraw/zinc/84/95/02/606849502.db2.gz MKHOUGBVYIYYQO-UHFFFAOYSA-N -1 1 385.428 2.017 20 0 GEADMM COc1cccc(OC)c1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000821877579 606849504 /nfs/dbraw/zinc/84/95/04/606849504.db2.gz MKHOUGBVYIYYQO-UHFFFAOYSA-N -1 1 385.428 2.017 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)ccc1Cl ZINC000778662287 606858137 /nfs/dbraw/zinc/85/81/37/606858137.db2.gz PFOPJFIFFAWQSA-UHFFFAOYSA-N -1 1 393.812 2.108 20 0 GEADMM COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000821828383 606868243 /nfs/dbraw/zinc/86/82/43/606868243.db2.gz URCIKTULLIVIMF-UHFFFAOYSA-N -1 1 397.819 2.493 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC2(C1)CCCCCC2 ZINC000823606775 606875867 /nfs/dbraw/zinc/87/58/67/606875867.db2.gz MEERAZXDJWKPMW-UHFFFAOYSA-N -1 1 395.460 2.120 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC2(C1)CCCCCC2 ZINC000823606775 606875868 /nfs/dbraw/zinc/87/58/68/606875868.db2.gz MEERAZXDJWKPMW-UHFFFAOYSA-N -1 1 395.460 2.120 20 0 GEADMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000821778024 606889040 /nfs/dbraw/zinc/88/90/40/606889040.db2.gz RWLUWQQYVKKBJD-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821043006 606902606 /nfs/dbraw/zinc/90/26/06/606902606.db2.gz KIERPQJSYRSEGL-CYBMUJFWSA-N -1 1 389.460 2.075 20 0 GEADMM CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821043006 606902607 /nfs/dbraw/zinc/90/26/07/606902607.db2.gz KIERPQJSYRSEGL-CYBMUJFWSA-N -1 1 389.460 2.075 20 0 GEADMM Cc1oc(NC(=O)CN2CCOC3(C2)CCCCCC3)c(-c2nn[n-]n2)c1C ZINC000822549038 606934142 /nfs/dbraw/zinc/93/41/42/606934142.db2.gz SPJMQTNJIRTYOE-UHFFFAOYSA-N -1 1 388.472 2.440 20 0 GEADMM Cc1ccc2c(c1)[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)CO2 ZINC000822274693 606936623 /nfs/dbraw/zinc/93/66/23/606936623.db2.gz GGXVSUNBWZOCSI-OAHLLOKOSA-N -1 1 394.435 2.075 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCCc2ccncc2)c1-c1nn[n-]n1 ZINC000821990486 606936909 /nfs/dbraw/zinc/93/69/09/606936909.db2.gz SYBGQVQVEIERKX-UHFFFAOYSA-N -1 1 381.465 2.229 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOc2cccc(F)c21 ZINC000822004116 607020601 /nfs/dbraw/zinc/02/06/01/607020601.db2.gz ARKCOCKFZPNBGT-UHFFFAOYSA-N -1 1 398.398 2.081 20 0 GEADMM Fc1cc(Br)cc2c1CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000822748457 607045085 /nfs/dbraw/zinc/04/50/85/607045085.db2.gz ZKQGQQVIWZSOQX-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM Fc1cc(Br)cc2c1CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000822748457 607045086 /nfs/dbraw/zinc/04/50/86/607045086.db2.gz ZKQGQQVIWZSOQX-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820549275 607103919 /nfs/dbraw/zinc/10/39/19/607103919.db2.gz LOZAQWWFZDDIOW-ZETCQYMHSA-N -1 1 395.242 2.492 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820549275 607103920 /nfs/dbraw/zinc/10/39/20/607103920.db2.gz LOZAQWWFZDDIOW-ZETCQYMHSA-N -1 1 395.242 2.492 20 0 GEADMM O=C(NC1CC=CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823145337 607141759 /nfs/dbraw/zinc/14/17/59/607141759.db2.gz REFZONAKOXAHSX-UHFFFAOYSA-N -1 1 395.423 2.166 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCc2cc(C)n(C)n2)c1-c1nnn[n-]1 ZINC000821988260 607154738 /nfs/dbraw/zinc/15/47/38/607154738.db2.gz DJNZIJARWQRRMW-UHFFFAOYSA-N -1 1 385.453 2.260 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCc2cc(C)n(C)n2)c1-c1nn[n-]n1 ZINC000821988260 607154739 /nfs/dbraw/zinc/15/47/39/607154739.db2.gz DJNZIJARWQRRMW-UHFFFAOYSA-N -1 1 385.453 2.260 20 0 GEADMM Cc1cc(C(=O)Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c(Cl)cc1F ZINC000822167048 607157138 /nfs/dbraw/zinc/15/71/38/607157138.db2.gz AOSHCIJZJYEWGO-UHFFFAOYSA-N -1 1 376.779 2.024 20 0 GEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2c(C)c(C)c(C)c(C)c2C)c1 ZINC000821666744 607160981 /nfs/dbraw/zinc/16/09/81/607160981.db2.gz BZXHEANOJDSAMW-UHFFFAOYSA-N -1 1 381.436 2.405 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C)c(=O)n(C)c2)c1-c1nn[n-]n1 ZINC000821989374 607178313 /nfs/dbraw/zinc/17/83/13/607178313.db2.gz KJRQWVYIBCEWCO-UHFFFAOYSA-N -1 1 397.464 2.120 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC000822535219 607185394 /nfs/dbraw/zinc/18/53/94/607185394.db2.gz JWVCKRZDPIFKPX-AAEUAGOBSA-N -1 1 396.407 2.394 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 ZINC000822535219 607185395 /nfs/dbraw/zinc/18/53/95/607185395.db2.gz JWVCKRZDPIFKPX-AAEUAGOBSA-N -1 1 396.407 2.394 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(OCCO)cc1 ZINC000822540489 607191857 /nfs/dbraw/zinc/19/18/57/607191857.db2.gz BTHJZURBQNXFJX-UHFFFAOYSA-N -1 1 394.391 2.182 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(OCCO)cc1 ZINC000822540489 607191858 /nfs/dbraw/zinc/19/18/58/607191858.db2.gz BTHJZURBQNXFJX-UHFFFAOYSA-N -1 1 394.391 2.182 20 0 GEADMM Cc1csc(Sc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822414423 607208907 /nfs/dbraw/zinc/20/89/07/607208907.db2.gz FFBGUQGFBWXRGB-UHFFFAOYSA-N -1 1 399.465 2.013 20 0 GEADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000820333790 607212363 /nfs/dbraw/zinc/21/23/63/607212363.db2.gz GIVNHGVDXMBZGT-CYBMUJFWSA-N -1 1 390.407 2.128 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000823126357 607212992 /nfs/dbraw/zinc/21/29/92/607212992.db2.gz IZTJDTBCXBGISQ-INIZCTEOSA-N -1 1 380.456 2.286 20 0 GEADMM Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCC[C@@H](C)C1 ZINC000822352416 607216770 /nfs/dbraw/zinc/21/67/70/607216770.db2.gz ZCAKZRPKQOSHPN-QIIPPGSGSA-N -1 1 394.483 2.450 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nc(-c2ccc(Cl)cc2)n1 ZINC000826260918 607786596 /nfs/dbraw/zinc/78/65/96/607786596.db2.gz JYNCUJOHQCTHSB-UHFFFAOYSA-N -1 1 395.814 2.271 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nc(-c2ccc(Cl)cc2)n1 ZINC000826260918 607786597 /nfs/dbraw/zinc/78/65/97/607786597.db2.gz JYNCUJOHQCTHSB-UHFFFAOYSA-N -1 1 395.814 2.271 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCc1nccs1 ZINC000826340675 607801655 /nfs/dbraw/zinc/80/16/55/607801655.db2.gz HCIOYQWJUXQZIQ-UHFFFAOYSA-N -1 1 383.437 2.330 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCc1nccs1 ZINC000826340675 607801656 /nfs/dbraw/zinc/80/16/56/607801656.db2.gz HCIOYQWJUXQZIQ-UHFFFAOYSA-N -1 1 383.437 2.330 20 0 GEADMM Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(Br)c1 ZINC000826318987 607816297 /nfs/dbraw/zinc/81/62/97/607816297.db2.gz JGJWPDWZABEARY-UHFFFAOYSA-N -1 1 395.242 2.133 20 0 GEADMM O=C(Nc1ccc(O)cc1)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826454581 607838385 /nfs/dbraw/zinc/83/83/85/607838385.db2.gz BMDAPOVSEUOWRQ-UHFFFAOYSA-N -1 1 399.842 2.476 20 0 GEADMM O=C(Nc1ccc(O)cc1)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826454581 607838386 /nfs/dbraw/zinc/83/83/86/607838386.db2.gz BMDAPOVSEUOWRQ-UHFFFAOYSA-N -1 1 399.842 2.476 20 0 GEADMM CCC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825034375 607867556 /nfs/dbraw/zinc/86/75/56/607867556.db2.gz ITNOYCZRLNDFQK-UHFFFAOYSA-N -1 1 391.384 2.122 20 0 GEADMM CCC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825034375 607867557 /nfs/dbraw/zinc/86/75/57/607867557.db2.gz ITNOYCZRLNDFQK-UHFFFAOYSA-N -1 1 391.384 2.122 20 0 GEADMM O=S(=O)(NCCC1Cc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490597 607906604 /nfs/dbraw/zinc/90/66/04/607906604.db2.gz AGWKKBNRGSSIRA-UHFFFAOYSA-N -1 1 387.440 2.089 20 0 GEADMM O=S(=O)(NCCC1Cc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490597 607906605 /nfs/dbraw/zinc/90/66/05/607906605.db2.gz AGWKKBNRGSSIRA-UHFFFAOYSA-N -1 1 387.440 2.089 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCSCC(C)C ZINC000826232884 607915470 /nfs/dbraw/zinc/91/54/70/607915470.db2.gz MFBQAVFZNYXKPG-UHFFFAOYSA-N -1 1 378.502 2.022 20 0 GEADMM CCOc1ccc(Cl)cc1CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825638079 607919928 /nfs/dbraw/zinc/91/99/28/607919928.db2.gz DRXLGZGDDJFIFW-UHFFFAOYSA-N -1 1 390.835 2.017 20 0 GEADMM CCOc1ccc(Cl)cc1CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825638079 607919929 /nfs/dbraw/zinc/91/99/29/607919929.db2.gz DRXLGZGDDJFIFW-UHFFFAOYSA-N -1 1 390.835 2.017 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1c(C)noc1C ZINC000825148370 607939225 /nfs/dbraw/zinc/93/92/25/607939225.db2.gz QCAQYAKEDJITOR-LBPRGKRZSA-N -1 1 380.405 2.040 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)c1ccncc1 ZINC000826328018 607959932 /nfs/dbraw/zinc/95/99/32/607959932.db2.gz CWIKDQSXAPOZRL-CYBMUJFWSA-N -1 1 392.423 2.158 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)c1ccncc1 ZINC000826328018 607959933 /nfs/dbraw/zinc/95/99/33/607959933.db2.gz CWIKDQSXAPOZRL-CYBMUJFWSA-N -1 1 392.423 2.158 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000824808692 607973257 /nfs/dbraw/zinc/97/32/57/607973257.db2.gz XBRFDZWKFBYYFY-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826496395 607974825 /nfs/dbraw/zinc/97/48/25/607974825.db2.gz UVBJVVHFAJQMOE-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826496395 607974826 /nfs/dbraw/zinc/97/48/26/607974826.db2.gz UVBJVVHFAJQMOE-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM CCn1c2ccc(S(=O)(=O)C(F)F)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000825782368 607975239 /nfs/dbraw/zinc/97/52/39/607975239.db2.gz FLCAAJWEQXZHFE-UHFFFAOYSA-N -1 1 394.363 2.493 20 0 GEADMM CCn1c2ccc(S(=O)(=O)C(F)F)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000825782368 607975240 /nfs/dbraw/zinc/97/52/40/607975240.db2.gz FLCAAJWEQXZHFE-UHFFFAOYSA-N -1 1 394.363 2.493 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824107937 607997862 /nfs/dbraw/zinc/99/78/62/607997862.db2.gz AAUPMVCFAGVXBB-NEPJUHHUSA-N -1 1 388.428 2.204 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000824103644 607997872 /nfs/dbraw/zinc/99/78/72/607997872.db2.gz FHZXGAMSMCVMHA-SFHVURJKSA-N -1 1 388.428 2.158 20 0 GEADMM O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000826454455 607998159 /nfs/dbraw/zinc/99/81/59/607998159.db2.gz XFYSPHTURLIGFO-UHFFFAOYSA-N -1 1 382.355 2.069 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(OCc2ccccc2)CCOCC1 ZINC000826450972 607998185 /nfs/dbraw/zinc/99/81/85/607998185.db2.gz KXNOSKQXGNZZMB-UHFFFAOYSA-N -1 1 395.419 2.277 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1CSc1nc[nH]n1 ZINC000826451295 607999096 /nfs/dbraw/zinc/99/90/96/607999096.db2.gz ZPOAAJHTULOORN-UHFFFAOYSA-N -1 1 394.420 2.235 20 0 GEADMM CCCC[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(=O)OC ZINC000825268650 608103147 /nfs/dbraw/zinc/10/31/47/608103147.db2.gz XGGVFPRCZBTNLR-LBPRGKRZSA-N -1 1 387.396 2.447 20 0 GEADMM CCCC[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(=O)OC ZINC000825268650 608103148 /nfs/dbraw/zinc/10/31/48/608103148.db2.gz XGGVFPRCZBTNLR-LBPRGKRZSA-N -1 1 387.396 2.447 20 0 GEADMM O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1sccc1-c1nn[n-]n1 ZINC000826462410 608116599 /nfs/dbraw/zinc/11/65/99/608116599.db2.gz XHDKUBPDLFCYSI-CYBMUJFWSA-N -1 1 387.396 2.420 20 0 GEADMM COC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826104387 608146833 /nfs/dbraw/zinc/14/68/33/608146833.db2.gz VSQHQSIMUPKLQV-NSHDSACASA-N -1 1 376.369 2.008 20 0 GEADMM COC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826104387 608146834 /nfs/dbraw/zinc/14/68/34/608146834.db2.gz VSQHQSIMUPKLQV-NSHDSACASA-N -1 1 376.369 2.008 20 0 GEADMM FC(F)COc1ncccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826369821 608150290 /nfs/dbraw/zinc/15/02/90/608150290.db2.gz RWBBFKQGMUMBLP-UHFFFAOYSA-N -1 1 384.350 2.461 20 0 GEADMM FC(F)COc1ncccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826369821 608150291 /nfs/dbraw/zinc/15/02/91/608150291.db2.gz RWBBFKQGMUMBLP-UHFFFAOYSA-N -1 1 384.350 2.461 20 0 GEADMM CC1(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)OCCO1 ZINC000824824594 608199457 /nfs/dbraw/zinc/19/94/57/608199457.db2.gz VZBYQIZNNRMHGT-UHFFFAOYSA-N -1 1 399.382 2.291 20 0 GEADMM CC1(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)OCCO1 ZINC000824824594 608199459 /nfs/dbraw/zinc/19/94/59/608199459.db2.gz VZBYQIZNNRMHGT-UHFFFAOYSA-N -1 1 399.382 2.291 20 0 GEADMM CC(C)[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824184013 608211099 /nfs/dbraw/zinc/21/10/99/608211099.db2.gz BLZGJPUGEQLENQ-OAHLLOKOSA-N -1 1 382.472 2.003 20 0 GEADMM CC(C)[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824184013 608211100 /nfs/dbraw/zinc/21/11/00/608211100.db2.gz BLZGJPUGEQLENQ-OAHLLOKOSA-N -1 1 382.472 2.003 20 0 GEADMM O=S(=O)(Oc1ccc2cncnc2c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493578 608249623 /nfs/dbraw/zinc/24/96/23/608249623.db2.gz RRDDISPTPVLGMF-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM O=S(=O)(Oc1ccc2cncnc2c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493578 608249624 /nfs/dbraw/zinc/24/96/24/608249624.db2.gz RRDDISPTPVLGMF-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM COCCN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)CC(F)F ZINC000826158335 608311661 /nfs/dbraw/zinc/31/16/61/608311661.db2.gz LAPYUKQBVCGNCZ-UHFFFAOYSA-N -1 1 377.399 2.074 20 0 GEADMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826416010 608322487 /nfs/dbraw/zinc/32/24/87/608322487.db2.gz DJJSWAGPFVLQTH-UHFFFAOYSA-N -1 1 391.746 2.160 20 0 GEADMM C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824400527 608352968 /nfs/dbraw/zinc/35/29/68/608352968.db2.gz JAMRXFWUAJDPAF-LLVKDONJSA-N -1 1 390.492 2.088 20 0 GEADMM C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824400527 608352970 /nfs/dbraw/zinc/35/29/70/608352970.db2.gz JAMRXFWUAJDPAF-LLVKDONJSA-N -1 1 390.492 2.088 20 0 GEADMM CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824244804 608353940 /nfs/dbraw/zinc/35/39/40/608353940.db2.gz UFJYUQAOYISXDF-LBPRGKRZSA-N -1 1 390.492 2.088 20 0 GEADMM CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824244804 608353942 /nfs/dbraw/zinc/35/39/42/608353942.db2.gz UFJYUQAOYISXDF-LBPRGKRZSA-N -1 1 390.492 2.088 20 0 GEADMM CCCCc1ccc(-n2nnnc2Sc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825296452 608388257 /nfs/dbraw/zinc/38/82/57/608388257.db2.gz JSKDYZHLLXGQLY-UHFFFAOYSA-N -1 1 380.441 2.126 20 0 GEADMM CCCCc1ccc(-n2nnnc2Sc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825296452 608388258 /nfs/dbraw/zinc/38/82/58/608388258.db2.gz JSKDYZHLLXGQLY-UHFFFAOYSA-N -1 1 380.441 2.126 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2ccccc21 ZINC000825929840 608408024 /nfs/dbraw/zinc/40/80/24/608408024.db2.gz LRMAPRSYEKZUCK-UHFFFAOYSA-N -1 1 391.439 2.422 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2ccccc21 ZINC000825929840 608408025 /nfs/dbraw/zinc/40/80/25/608408025.db2.gz LRMAPRSYEKZUCK-UHFFFAOYSA-N -1 1 391.439 2.422 20 0 GEADMM CN(C)C(=O)C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)c2ccc(Cl)cc21 ZINC000825839189 608422917 /nfs/dbraw/zinc/42/29/17/608422917.db2.gz GWNYDKDQVAJWGY-JTQLQIEISA-N -1 1 384.831 2.024 20 0 GEADMM CN(C)C(=O)C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)c2ccc(Cl)cc21 ZINC000825839189 608422919 /nfs/dbraw/zinc/42/29/19/608422919.db2.gz GWNYDKDQVAJWGY-JTQLQIEISA-N -1 1 384.831 2.024 20 0 GEADMM CC(C)[C@@H](CCN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)OC(C)(C)C ZINC000824193117 608428213 /nfs/dbraw/zinc/42/82/13/608428213.db2.gz SNJQQBURVIBAHG-GFCCVEGCSA-N -1 1 376.465 2.032 20 0 GEADMM CC(C)[C@@H](CCN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)OC(C)(C)C ZINC000824193117 608428215 /nfs/dbraw/zinc/42/82/15/608428215.db2.gz SNJQQBURVIBAHG-GFCCVEGCSA-N -1 1 376.465 2.032 20 0 GEADMM FC(F)(F)c1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)c1 ZINC000826369002 608428682 /nfs/dbraw/zinc/42/86/82/608428682.db2.gz JBUTZWFDOFZSTE-ZDUSSCGKSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)c1 ZINC000826369002 608428683 /nfs/dbraw/zinc/42/86/83/608428683.db2.gz JBUTZWFDOFZSTE-ZDUSSCGKSA-N -1 1 377.330 2.253 20 0 GEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824651236 608435028 /nfs/dbraw/zinc/43/50/28/608435028.db2.gz XYBAIUWMGFXAHH-UGSOOPFHSA-N -1 1 381.440 2.394 20 0 GEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824651236 608435030 /nfs/dbraw/zinc/43/50/30/608435030.db2.gz XYBAIUWMGFXAHH-UGSOOPFHSA-N -1 1 381.440 2.394 20 0 GEADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825148844 608436866 /nfs/dbraw/zinc/43/68/66/608436866.db2.gz URLXVSMGSRUWMO-RHSMWYFYSA-N -1 1 376.428 2.037 20 0 GEADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825148844 608436868 /nfs/dbraw/zinc/43/68/68/608436868.db2.gz URLXVSMGSRUWMO-RHSMWYFYSA-N -1 1 376.428 2.037 20 0 GEADMM O[C@]1(CN(Cc2ccccc2)c2ccc(-c3nnn[n-]3)nn2)CCc2ccccc21 ZINC000826506358 608438292 /nfs/dbraw/zinc/43/82/92/608438292.db2.gz SQBFZSLBOSESJD-QFIPXVFZSA-N -1 1 399.458 2.497 20 0 GEADMM O[C@]1(CN(Cc2ccccc2)c2ccc(-c3nn[n-]n3)nn2)CCc2ccccc21 ZINC000826506358 608438293 /nfs/dbraw/zinc/43/82/93/608438293.db2.gz SQBFZSLBOSESJD-QFIPXVFZSA-N -1 1 399.458 2.497 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(CSc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824103867 608439462 /nfs/dbraw/zinc/43/94/62/608439462.db2.gz KLGYTBGOSAAOPG-UHFFFAOYSA-N -1 1 377.474 2.396 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(CSc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824103867 608439463 /nfs/dbraw/zinc/43/94/63/608439463.db2.gz KLGYTBGOSAAOPG-UHFFFAOYSA-N -1 1 377.474 2.396 20 0 GEADMM COc1ccc([C@@H](CNc2nc(-c3nn[n-]n3)ccc2C)N2CCOCC2)cc1 ZINC000826189564 608540547 /nfs/dbraw/zinc/54/05/47/608540547.db2.gz YMWBZYHUVSGLKT-GOSISDBHSA-N -1 1 395.467 2.064 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000826280421 608542301 /nfs/dbraw/zinc/54/23/01/608542301.db2.gz AXKHSJPRPOAEEB-UHFFFAOYSA-N -1 1 381.415 2.426 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000826280781 608542939 /nfs/dbraw/zinc/54/29/39/608542939.db2.gz PFKOFFMERAFRLF-CQSZACIVSA-N -1 1 379.472 2.272 20 0 GEADMM CO[C@H]1CCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826146566 608568591 /nfs/dbraw/zinc/56/85/91/608568591.db2.gz XTKZQWPFADQOGT-FZMZJTMJSA-N -1 1 388.497 2.406 20 0 GEADMM COc1cc(NC(=O)CN(C)Cc2ccc(-c3nn[n-]n3)s2)cc(OC)c1 ZINC000826180579 608831182 /nfs/dbraw/zinc/83/11/82/608831182.db2.gz NHYIGRIKQVTNIA-UHFFFAOYSA-N -1 1 388.453 2.016 20 0 GEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824506096 608842821 /nfs/dbraw/zinc/84/28/21/608842821.db2.gz LEYAOURGEKCZEO-DGCLKSJQSA-N -1 1 394.501 2.042 20 0 GEADMM CCO[C@@H](C)c1noc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000825577312 609278622 /nfs/dbraw/zinc/27/86/22/609278622.db2.gz VLJVUSGATYXAEY-JTQLQIEISA-N -1 1 399.390 2.284 20 0 GEADMM COCc1nc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000826165945 609279063 /nfs/dbraw/zinc/27/90/63/609279063.db2.gz OTTJQHOSTSJSQC-UHFFFAOYSA-N -1 1 386.416 2.407 20 0 GEADMM COc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1O ZINC000826214665 609287768 /nfs/dbraw/zinc/28/77/68/609287768.db2.gz SSJZSQABHLIZGY-UHFFFAOYSA-N -1 1 395.354 2.158 20 0 GEADMM O=C(C=Cc1cncc(F)c1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403011 609289339 /nfs/dbraw/zinc/28/93/39/609289339.db2.gz HRCYVAJRTUKITB-PLNGDYQASA-N -1 1 394.345 2.378 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccc2c1OCO2 ZINC000826459061 609291997 /nfs/dbraw/zinc/29/19/97/609291997.db2.gz SYSCKSWLHLVKME-UHFFFAOYSA-N -1 1 393.338 2.173 20 0 GEADMM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825252466 609302257 /nfs/dbraw/zinc/30/22/57/609302257.db2.gz IGVDMINFMCRARC-QWHCGFSZSA-N -1 1 389.508 2.105 20 0 GEADMM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825252466 609302260 /nfs/dbraw/zinc/30/22/60/609302260.db2.gz IGVDMINFMCRARC-QWHCGFSZSA-N -1 1 389.508 2.105 20 0 GEADMM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826264188 609303113 /nfs/dbraw/zinc/30/31/13/609303113.db2.gz FQMCWAYUBNSWMR-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264188 609303115 /nfs/dbraw/zinc/30/31/15/609303115.db2.gz FQMCWAYUBNSWMR-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1cccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000826296399 609303601 /nfs/dbraw/zinc/30/36/01/609303601.db2.gz VCXNRMWNUYDMLY-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1cccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826296399 609303603 /nfs/dbraw/zinc/30/36/03/609303603.db2.gz VCXNRMWNUYDMLY-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM CCCC[C@H](CCC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825261343 609303905 /nfs/dbraw/zinc/30/39/05/609303905.db2.gz XIEJCZUMAAXLKJ-LBPRGKRZSA-N -1 1 377.497 2.105 20 0 GEADMM CCCC[C@H](CCC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825261343 609303907 /nfs/dbraw/zinc/30/39/07/609303907.db2.gz XIEJCZUMAAXLKJ-LBPRGKRZSA-N -1 1 377.497 2.105 20 0 GEADMM Cc1ncsc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826331564 609357520 /nfs/dbraw/zinc/35/75/20/609357520.db2.gz OEJZIGAGWRBZDX-UHFFFAOYSA-N -1 1 399.415 2.278 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[C@@H](C2CC2)C1 ZINC000826458144 609359505 /nfs/dbraw/zinc/35/95/05/609359505.db2.gz FAKLXTVIWXAGSP-GFCCVEGCSA-N -1 1 382.403 2.455 20 0 GEADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccccn1 ZINC000824505265 609360689 /nfs/dbraw/zinc/36/06/89/609360689.db2.gz AUXQMMCYHYLMBI-NSHDSACASA-N -1 1 393.386 2.469 20 0 GEADMM Cc1cnc([C@H](C)NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826317390 609361805 /nfs/dbraw/zinc/36/18/05/609361805.db2.gz AUYXOJGKOLINHR-JTQLQIEISA-N -1 1 397.374 2.371 20 0 GEADMM CSCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826229107 609361848 /nfs/dbraw/zinc/36/18/48/609361848.db2.gz PBEQKAHAIAOJLA-UHFFFAOYSA-N -1 1 376.421 2.066 20 0 GEADMM O=C(NOCc1ccccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826449761 609362352 /nfs/dbraw/zinc/36/23/52/609362352.db2.gz IPZKFUOMMKWMRN-UHFFFAOYSA-N -1 1 394.370 2.445 20 0 GEADMM COc1ccc(C[C@H](C)CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826191898 609468807 /nfs/dbraw/zinc/46/88/07/609468807.db2.gz SWQUCJOPTROXOD-LBPRGKRZSA-N -1 1 384.440 2.051 20 0 GEADMM COc1ccc(C[C@H](C)CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826191898 609468812 /nfs/dbraw/zinc/46/88/12/609468812.db2.gz SWQUCJOPTROXOD-LBPRGKRZSA-N -1 1 384.440 2.051 20 0 GEADMM CC[C@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825060012 609506042 /nfs/dbraw/zinc/50/60/42/609506042.db2.gz NHUXQVIAPSQACE-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM CC[C@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825060012 609506043 /nfs/dbraw/zinc/50/60/43/609506043.db2.gz NHUXQVIAPSQACE-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM Cc1ccnc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1-c1nn[nH]n1 ZINC000826312128 609558710 /nfs/dbraw/zinc/55/87/10/609558710.db2.gz WNNLXVWQGGJDIQ-RDJZCZTQSA-N -1 1 379.468 2.272 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)C[C@H]21 ZINC000824108439 609601783 /nfs/dbraw/zinc/60/17/83/609601783.db2.gz 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CS(=O)(=O)c1nnc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)[n-]1 ZINC000446863326 649989788 /nfs/dbraw/zinc/98/97/88/649989788.db2.gz WJTKTLWZDWPUOA-UHFFFAOYSA-N -1 1 397.265 2.178 20 0 GEADMM CCc1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cn1 ZINC000446998650 649992830 /nfs/dbraw/zinc/99/28/30/649992830.db2.gz FDEXSUPZAKQPSB-UHFFFAOYSA-N -1 1 386.227 2.301 20 0 GEADMM O=C(NCCCCN1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000448712810 650019875 /nfs/dbraw/zinc/01/98/75/650019875.db2.gz GLVMKXAEMKPNPI-UHFFFAOYSA-N -1 1 375.238 2.136 20 0 GEADMM COc1ccc(NS(C)(=O)=O)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000451095845 650085738 /nfs/dbraw/zinc/08/57/38/650085738.db2.gz KLYJOMDIOCOBNI-UHFFFAOYSA-N -1 1 384.479 2.051 20 0 GEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2C)c1 ZINC000451112314 650087930 /nfs/dbraw/zinc/08/79/30/650087930.db2.gz INMMBKQXMGDFFO-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3c(C(N)=O)[nH]nc3C(C)C)cc2s1 ZINC000451114188 650088200 /nfs/dbraw/zinc/08/82/00/650088200.db2.gz KCQFLSGZHCINSV-UHFFFAOYSA-N -1 1 379.467 2.351 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCN1CC(F)(F)F ZINC000451196448 650095425 /nfs/dbraw/zinc/09/54/25/650095425.db2.gz NDTNCMGLUHVGCN-SNVBAGLBSA-N -1 1 380.319 2.013 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)[C@@H]1CCCOC1 ZINC000451386055 650109835 /nfs/dbraw/zinc/10/98/35/650109835.db2.gz VHBXKXTZEPPMIC-HZSPNIEDSA-N -1 1 383.457 2.090 20 0 GEADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2sccc2Cl)(C(=O)OC)C1(C)C ZINC000451441131 650114446 /nfs/dbraw/zinc/11/44/46/650114446.db2.gz YZCKAGAUAFCUCX-HZMBPMFUSA-N -1 1 381.903 2.427 20 0 GEADMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451503234 650121592 /nfs/dbraw/zinc/12/15/92/650121592.db2.gz PWKKIAXQFDJKFP-UHFFFAOYSA-N -1 1 379.912 2.410 20 0 GEADMM CCN1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1=O ZINC000451860089 650148199 /nfs/dbraw/zinc/14/81/99/650148199.db2.gz AQRHVHWOIKOXDZ-LURJTMIESA-N -1 1 387.708 2.063 20 0 GEADMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000451958702 650158093 /nfs/dbraw/zinc/15/80/93/650158093.db2.gz CNWMKMJXUISGNS-MRVPVSSYSA-N -1 1 394.241 2.370 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCC1 ZINC000451989462 650162141 /nfs/dbraw/zinc/16/21/41/650162141.db2.gz BMQRPDHVVFBVSX-AWEZNQCLSA-N -1 1 378.491 2.444 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCC1 ZINC000451989463 650162168 /nfs/dbraw/zinc/16/21/68/650162168.db2.gz BMQRPDHVVFBVSX-CQSZACIVSA-N -1 1 378.491 2.444 20 0 GEADMM CO[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C[C@H]1C ZINC000452845484 650199198 /nfs/dbraw/zinc/19/91/98/650199198.db2.gz RVXDKVAMHMYKQG-RNCFNFMXSA-N -1 1 375.206 2.494 20 0 GEADMM Cc1ccc(C[C@@H](CO)CNC(=O)c2cncc([O-])c2)cc1Br ZINC000456481956 650342555 /nfs/dbraw/zinc/34/25/55/650342555.db2.gz FHWNOMQOFBLRSQ-CYBMUJFWSA-N -1 1 379.254 2.439 20 0 GEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000501860290 650398393 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CCOc1c(Br)cc(C(=O)NC(C)(C)c2nn[n-]n2)cc1OC ZINC000461638619 650457962 /nfs/dbraw/zinc/45/79/62/650457962.db2.gz WRSCUOPIECCNDD-UHFFFAOYSA-N -1 1 384.234 2.035 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc(S(C)(=O)=O)c1 ZINC000507580957 650463713 /nfs/dbraw/zinc/46/37/13/650463713.db2.gz ICRNFEQCIROAMF-UHFFFAOYSA-N -1 1 377.390 2.178 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)cc2)ccc1F ZINC000507621932 650465161 /nfs/dbraw/zinc/46/51/61/650465161.db2.gz PTPVAMNSJDAEJJ-UHFFFAOYSA-N -1 1 390.483 2.257 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccc1F ZINC000507645424 650466066 /nfs/dbraw/zinc/46/60/66/650466066.db2.gz QWULUMABSTTXAQ-UHFFFAOYSA-N -1 1 392.861 2.496 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1-n1cnnn1 ZINC000462104431 650468560 /nfs/dbraw/zinc/46/85/60/650468560.db2.gz QQTGIHBQZSQZMY-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCc2c1cccc2Br ZINC000508378540 650479856 /nfs/dbraw/zinc/47/98/56/650479856.db2.gz XWQWJUCLWIDVPH-CYBMUJFWSA-N -1 1 390.237 2.083 20 0 GEADMM CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)OC(C)(C)C ZINC000462691200 650488999 /nfs/dbraw/zinc/48/89/99/650488999.db2.gz SLSBMTLXFNTJAG-GFCCVEGCSA-N -1 1 375.443 2.245 20 0 GEADMM CO[C@@H](C)c1nc(=NC[C@H](O)COc2ccccc2Br)s[n-]1 ZINC000509563749 650496162 /nfs/dbraw/zinc/49/61/62/650496162.db2.gz KQLANSRISJARDU-UWVGGRQHSA-N -1 1 388.287 2.282 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H](O)C1(C)C ZINC000509960102 650504435 /nfs/dbraw/zinc/50/44/35/650504435.db2.gz ZFCXLCQRRGVKOR-MNOVXSKESA-N -1 1 382.265 2.218 20 0 GEADMM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509973378 650504722 /nfs/dbraw/zinc/50/47/22/650504722.db2.gz YWKNRWSWLQOBLX-XOULXFPDSA-N -1 1 382.265 2.385 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1csc2ccccc12 ZINC000468792057 650507375 /nfs/dbraw/zinc/50/73/75/650507375.db2.gz BHMXJNSDYHSJTE-UHFFFAOYSA-N -1 1 397.503 2.080 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)c1ccsc1 ZINC000468933965 650508640 /nfs/dbraw/zinc/50/86/40/650508640.db2.gz LBGXRFISILPAQB-HNNXBMFYSA-N -1 1 382.463 2.208 20 0 GEADMM COc1cc(NC(=O)N(C)CCc2nccs2)ccc1[N-]S(C)(=O)=O ZINC000510850420 650520321 /nfs/dbraw/zinc/52/03/21/650520321.db2.gz DOYPZWXROARVFJ-UHFFFAOYSA-N -1 1 384.483 2.230 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)CSc1ccc(C)cc1 ZINC000472703035 650521729 /nfs/dbraw/zinc/52/17/29/650521729.db2.gz LIMOJCYDYPBWAS-GFCCVEGCSA-N -1 1 383.495 2.354 20 0 GEADMM O=S(=O)([N-]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1F ZINC000510971423 650522224 /nfs/dbraw/zinc/52/22/24/650522224.db2.gz XIAJVSVXXPACGY-GFCCVEGCSA-N -1 1 390.786 2.021 20 0 GEADMM CCOCCS(=O)(=O)[N-][C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000476183501 650545438 /nfs/dbraw/zinc/54/54/38/650545438.db2.gz ZHXFNFBDGVMHRU-AWEZNQCLSA-N -1 1 384.281 2.338 20 0 GEADMM COc1cc(NC(=O)c2nc3cccnc3s2)ccc1[N-]S(C)(=O)=O ZINC000513198063 650559692 /nfs/dbraw/zinc/55/96/92/650559692.db2.gz YYBMFVZTQHMXNZ-UHFFFAOYSA-N -1 1 378.435 2.324 20 0 GEADMM CC1CCC(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000477158142 650570305 /nfs/dbraw/zinc/57/03/05/650570305.db2.gz DYUMIIVNSLVQBW-UHFFFAOYSA-N -1 1 378.491 2.302 20 0 GEADMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1F ZINC000515173226 650588567 /nfs/dbraw/zinc/58/85/67/650588567.db2.gz OSPGCVWGODWTNR-UHFFFAOYSA-N -1 1 381.307 2.014 20 0 GEADMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(-c3ccccc3Cl)on2)s1 ZINC000515876020 650595502 /nfs/dbraw/zinc/59/55/02/650595502.db2.gz GNGQJPFQAASDGC-UHFFFAOYSA-N -1 1 399.841 2.470 20 0 GEADMM O=C(Nc1ccc2nncn2c1)c1ccc(I)c([O-])c1 ZINC000516356451 650596838 /nfs/dbraw/zinc/59/68/38/650596838.db2.gz WUTIMCQGKZGGRA-UHFFFAOYSA-N -1 1 380.145 2.292 20 0 GEADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000479491980 650605117 /nfs/dbraw/zinc/60/51/17/650605117.db2.gz UNWLCIIXLLNSOJ-UHFFFAOYSA-N -1 1 389.426 2.047 20 0 GEADMM NC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479529463 650605700 /nfs/dbraw/zinc/60/57/00/650605700.db2.gz QWEYOBPBFQBMSR-UHFFFAOYSA-N -1 1 377.447 2.351 20 0 GEADMM O=S(=O)([N-]Cc1ncnn1-c1ccccc1)c1ccc(Br)o1 ZINC000480449961 650622400 /nfs/dbraw/zinc/62/24/00/650622400.db2.gz STCMCIMQWNTETA-UHFFFAOYSA-N -1 1 383.227 2.101 20 0 GEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)c(F)c1)c1cc(F)ccc1F ZINC000480759582 650631222 /nfs/dbraw/zinc/63/12/22/650631222.db2.gz GSZACGOZWDVMJL-LLVKDONJSA-N -1 1 377.359 2.373 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCc2cc(Br)ccc21 ZINC000480801591 650632904 /nfs/dbraw/zinc/63/29/04/650632904.db2.gz BOSPHDSEBBXNOB-ZDUSSCGKSA-N -1 1 390.237 2.083 20 0 GEADMM CCN([C@H](C)C(F)(F)F)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000481210817 650641003 /nfs/dbraw/zinc/64/10/03/650641003.db2.gz FSTHBYQSTSIWBD-MRVPVSSYSA-N -1 1 392.396 2.159 20 0 GEADMM O=S(=O)([N-][C@H](CO)C1CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000481612958 650650820 /nfs/dbraw/zinc/65/08/20/650650820.db2.gz VBZSFERSOBDANF-GFCCVEGCSA-N -1 1 387.807 2.425 20 0 GEADMM O=S(=O)([N-]c1ccncc1Br)c1cnn(Cc2ccccc2)c1 ZINC000481920300 650656206 /nfs/dbraw/zinc/65/62/06/650656206.db2.gz JUSNGDYMHNXIJS-UHFFFAOYSA-N -1 1 393.266 2.312 20 0 GEADMM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1Cl ZINC000485387773 650695679 /nfs/dbraw/zinc/69/56/79/650695679.db2.gz HQHYLANSLVLSOA-UHFFFAOYSA-N -1 1 390.252 2.057 20 0 GEADMM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485790778 650700295 /nfs/dbraw/zinc/70/02/95/650700295.db2.gz XCZFRAVAFFXJEZ-ZJUUUORDSA-N -1 1 392.253 2.429 20 0 GEADMM C[C@H](Cc1cccc(Br)c1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000485945598 650703668 /nfs/dbraw/zinc/70/36/68/650703668.db2.gz PBDVWSXKKPPFTL-LLVKDONJSA-N -1 1 392.253 2.027 20 0 GEADMM CN(CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000529539123 650703846 /nfs/dbraw/zinc/70/38/46/650703846.db2.gz PUCFROJYTOEZCR-NSHDSACASA-N -1 1 382.869 2.256 20 0 GEADMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H](O)COc1ccc(Br)cc1 ZINC000530168154 650716532 /nfs/dbraw/zinc/71/65/32/650716532.db2.gz IWMQUVSSBWXFFT-MLGOLLRUSA-N -1 1 396.237 2.466 20 0 GEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC)C(=O)OC(C)(C)C ZINC000530379916 650724145 /nfs/dbraw/zinc/72/41/45/650724145.db2.gz OUKLXVHMQCTWTH-DGAVXFQQSA-N -1 1 377.503 2.004 20 0 GEADMM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000486851111 650724479 /nfs/dbraw/zinc/72/44/79/650724479.db2.gz RRKZECLNVSLONU-UHFFFAOYSA-N -1 1 395.289 2.270 20 0 GEADMM COC[C@@](C)(CCO)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487246637 650731550 /nfs/dbraw/zinc/73/15/50/650731550.db2.gz ZAPHXUIVCZZPHX-MRXNPFEDSA-N -1 1 383.242 2.220 20 0 GEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000530956400 650731620 /nfs/dbraw/zinc/73/16/20/650731620.db2.gz JPDDQRQUELBSKH-UHFFFAOYSA-N -1 1 380.491 2.491 20 0 GEADMM Cc1sc2nc(C)nc(SCC(=O)NC(C)(C)c3nn[n-]n3)c2c1C ZINC000531097531 650735012 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O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N[N-]C(=O)c1cccs1 ZINC000017258234 642394070 /nfs/dbraw/zinc/39/40/70/642394070.db2.gz HRMRBBYXLAXEFV-UHFFFAOYSA-N -1 1 398.227 2.112 20 0 GEADMM O=C(COC(=O)COc1ccc(Br)cc1)[N-]C(=O)c1ccccc1 ZINC000028674306 642451749 /nfs/dbraw/zinc/45/17/49/642451749.db2.gz QWAFXTKGOXSNEX-UHFFFAOYSA-N -1 1 392.205 2.328 20 0 GEADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000488982826 650753056 /nfs/dbraw/zinc/75/30/56/650753056.db2.gz OAZDMDZJEHMLKH-UHFFFAOYSA-N -1 1 384.410 2.359 20 0 GEADMM COc1c(Br)c(C)sc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793650 650753146 /nfs/dbraw/zinc/75/31/46/650753146.db2.gz ONTPCIOJJIUMSW-QMMMGPOBSA-N -1 1 386.275 2.361 20 0 GEADMM O=S(=O)([N-]CCc1cccnc1)c1cc(Br)cnc1Cl ZINC000041066296 642524951 /nfs/dbraw/zinc/52/49/51/642524951.db2.gz VLFDXDQLVUPTFG-UHFFFAOYSA-N -1 1 376.663 2.414 20 0 GEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(=O)OC ZINC000041066478 642525575 /nfs/dbraw/zinc/52/55/75/642525575.db2.gz BWGYHDPJCMIXTG-XVKPBYJWSA-N -1 1 399.694 2.364 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2F)o1 ZINC000042263891 642547587 /nfs/dbraw/zinc/54/75/87/642547587.db2.gz BOGGLAPOHUBELO-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1[N-]S(C)(=O)=O ZINC000044259409 642572844 /nfs/dbraw/zinc/57/28/44/642572844.db2.gz UZYMNMDTFOLFIG-UHFFFAOYSA-N -1 1 384.479 2.484 20 0 GEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000533952997 650767637 /nfs/dbraw/zinc/76/76/37/650767637.db2.gz IVJQHYKVOQTXES-UHFFFAOYSA-N -1 1 383.491 2.388 20 0 GEADMM O=S(=O)([N-]CCNc1ncnc2sccc21)c1ccc(F)c(F)c1F ZINC000045813800 642597962 /nfs/dbraw/zinc/59/79/62/642597962.db2.gz ZJFOFGXTQMXVLT-UHFFFAOYSA-N -1 1 388.396 2.499 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(=O)OC ZINC000534165834 650769657 /nfs/dbraw/zinc/76/96/57/650769657.db2.gz RCWBDJLZEBLEBH-YFKPBYRVSA-N -1 1 376.681 2.394 20 0 GEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000490424709 650772459 /nfs/dbraw/zinc/77/24/59/650772459.db2.gz JLKNLZDQUBJGAL-UHFFFAOYSA-N -1 1 384.227 2.366 20 0 GEADMM Cc1ncc(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)c(N)n1 ZINC000534332345 650772523 /nfs/dbraw/zinc/77/25/23/650772523.db2.gz IGVZCWRPMQBNQI-UHFFFAOYSA-N -1 1 379.243 2.256 20 0 GEADMM O=C(CNC(=O)c1ccc(Br)s1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266543 642693375 /nfs/dbraw/zinc/69/33/75/642693375.db2.gz GMXZAWMXQYLUSG-UHFFFAOYSA-N -1 1 398.164 2.016 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ncccc1Cl ZINC000490613007 650777332 /nfs/dbraw/zinc/77/73/32/650777332.db2.gz WYLXOCWUQQTXRL-UHFFFAOYSA-N -1 1 381.841 2.477 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCn1c(C)csc1=O ZINC000052170968 642711598 /nfs/dbraw/zinc/71/15/98/642711598.db2.gz PGLFLXPZKMAOPF-UHFFFAOYSA-N -1 1 384.479 2.227 20 0 GEADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000534829121 650781276 /nfs/dbraw/zinc/78/12/76/650781276.db2.gz KEUXWDDLZMDAHB-ZDUSSCGKSA-N -1 1 397.396 2.280 20 0 GEADMM COCCN1C(=O)C(=C(C)Nc2ccccc2Br)C(=O)[N-]C1=S ZINC000054502277 642754050 /nfs/dbraw/zinc/75/40/50/642754050.db2.gz NKHPMCZSOCAZMY-XFXZXTDPSA-N -1 1 398.282 2.025 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C1CCOCC1 ZINC000535363195 650787290 /nfs/dbraw/zinc/78/72/90/650787290.db2.gz JAQQYIOYTCCLHX-HNNXBMFYSA-N -1 1 375.874 2.118 20 0 GEADMM CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2Br)cn1 ZINC000491584351 650787550 /nfs/dbraw/zinc/78/75/50/650787550.db2.gz SERJILQRWQYRNM-UHFFFAOYSA-N -1 1 388.243 2.253 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000055555669 642773898 /nfs/dbraw/zinc/77/38/98/642773898.db2.gz BYAXXDOTZYKEQB-UHFFFAOYSA-N -1 1 388.398 2.247 20 0 GEADMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000055620292 642775349 /nfs/dbraw/zinc/77/53/49/642775349.db2.gz BYJUVBLDZPFGCQ-UHFFFAOYSA-N -1 1 377.253 2.196 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)cc3)CC2)c1Cl ZINC000055638918 642776091 /nfs/dbraw/zinc/77/60/91/642776091.db2.gz MEGZXBMWBFMVKA-UHFFFAOYSA-N -1 1 386.880 2.156 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCC1 ZINC000056036788 642787333 /nfs/dbraw/zinc/78/73/33/642787333.db2.gz WHKOVFHUAHGSNU-UHFFFAOYSA-N -1 1 397.678 2.262 20 0 GEADMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CCOCC1 ZINC000057022890 642800802 /nfs/dbraw/zinc/80/08/02/642800802.db2.gz RTDHZWSTWNTOJH-UHFFFAOYSA-N -1 1 383.901 2.409 20 0 GEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1nccn1CC(F)(F)F ZINC000057924310 642820755 /nfs/dbraw/zinc/82/07/55/642820755.db2.gz DEASJBUJFPNRCU-UHFFFAOYSA-N -1 1 383.373 2.235 20 0 GEADMM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000491268953 650784898 /nfs/dbraw/zinc/78/48/98/650784898.db2.gz XDKLPYUGQUZVHI-CYBMUJFWSA-N -1 1 390.274 2.029 20 0 GEADMM COCCN1C(=O)C(=CNc2ccc(SC#N)cc2Cl)C(=O)[N-]C1=S ZINC000060864123 642839160 /nfs/dbraw/zinc/83/91/60/642839160.db2.gz SUHGKZXAFYFZKP-YFHOEESVSA-N -1 1 396.881 2.099 20 0 GEADMM CS(=O)(=O)c1nc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n[n-]1 ZINC000064348057 642873676 /nfs/dbraw/zinc/87/36/76/642873676.db2.gz RNSBJBKOELKYOW-UHFFFAOYSA-N -1 1 376.419 2.081 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)[n-]1 ZINC000064348057 642873680 /nfs/dbraw/zinc/87/36/80/642873680.db2.gz RNSBJBKOELKYOW-UHFFFAOYSA-N -1 1 376.419 2.081 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000493882875 650797974 /nfs/dbraw/zinc/79/79/74/650797974.db2.gz XYMODXFBBGJIPM-UHFFFAOYSA-N -1 1 380.231 2.409 20 0 GEADMM Cn1c(CNC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)n[n-]c1=S ZINC000066626210 642927946 /nfs/dbraw/zinc/92/79/46/642927946.db2.gz NTVWMZLKECKCIZ-UHFFFAOYSA-N -1 1 375.435 2.260 20 0 GEADMM Cn1c(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)n[n-]c1=S ZINC000066625898 642928464 /nfs/dbraw/zinc/92/84/64/642928464.db2.gz NKFPAHNEBHJYKK-UHFFFAOYSA-N -1 1 380.495 2.124 20 0 GEADMM CCn1c(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)n[n-]c1=S ZINC000067050724 642960896 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Cc1nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)sc1-c1n[n-]c(=S)n1C ZINC000098129861 643103514 /nfs/dbraw/zinc/10/35/14/643103514.db2.gz FZVLTAXVWCDPNJ-QMMMGPOBSA-N -1 1 382.515 2.399 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000537353728 650814101 /nfs/dbraw/zinc/81/41/01/650814101.db2.gz KJDISMFGQCTJGQ-LBPRGKRZSA-N -1 1 384.841 2.277 20 0 GEADMM CCCCNC(=O)C1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCCCC1 ZINC000101926585 643118430 /nfs/dbraw/zinc/11/84/30/643118430.db2.gz SRNKWUSVUBKTQG-UHFFFAOYSA-N -1 1 390.937 2.279 20 0 GEADMM O=C(Nc1nnn[n-]1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000102895193 643144287 /nfs/dbraw/zinc/14/42/87/643144287.db2.gz IWPKIXOKFNWQGX-UHFFFAOYSA-N -1 1 387.197 2.467 20 0 GEADMM O=C(Nc1nn[n-]n1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000102895193 643144294 /nfs/dbraw/zinc/14/42/94/643144294.db2.gz IWPKIXOKFNWQGX-UHFFFAOYSA-N -1 1 387.197 2.467 20 0 GEADMM O=C(Nc1nnn[n-]1)c1cc(I)cc(C(F)(F)F)c1 ZINC000102895357 643144383 /nfs/dbraw/zinc/14/43/83/643144383.db2.gz UBJNDVGXOXGTIL-UHFFFAOYSA-N -1 1 383.071 2.075 20 0 GEADMM O=C(Nc1nn[n-]n1)c1cc(I)cc(C(F)(F)F)c1 ZINC000102895357 643144388 /nfs/dbraw/zinc/14/43/88/643144388.db2.gz UBJNDVGXOXGTIL-UHFFFAOYSA-N -1 1 383.071 2.075 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000102932852 643147532 /nfs/dbraw/zinc/14/75/32/643147532.db2.gz ZYAZMOOFTQYNGC-FZMZJTMJSA-N -1 1 376.475 2.150 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCCC1 ZINC000103153685 643155983 /nfs/dbraw/zinc/15/59/83/643155983.db2.gz UHLFYPTZUZTLSP-UHFFFAOYSA-N -1 1 398.225 2.491 20 0 GEADMM Cc1cc(OC(F)F)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000537848665 650824664 /nfs/dbraw/zinc/82/46/64/650824664.db2.gz ABKYDKIKXREEEC-UHFFFAOYSA-N -1 1 378.378 2.263 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(Br)cc1O ZINC000104849109 643195419 /nfs/dbraw/zinc/19/54/19/643195419.db2.gz UIKGQRGGWJVIIR-UHFFFAOYSA-N -1 1 391.225 2.289 20 0 GEADMM CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1cc(Br)ccc1[O-] ZINC000109212715 643290683 /nfs/dbraw/zinc/29/06/83/643290683.db2.gz IVHOGHMWMMJWLW-GFCCVEGCSA-N -1 1 387.299 2.442 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000111353796 643337058 /nfs/dbraw/zinc/33/70/58/643337058.db2.gz IHTAUOHHNNACHV-SECBINFHSA-N -1 1 380.388 2.392 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3cccc(Cl)c23)c1 ZINC000497139433 650832509 /nfs/dbraw/zinc/83/25/09/650832509.db2.gz AIIDVKBQHYTBBQ-UHFFFAOYSA-N -1 1 379.825 2.356 20 0 GEADMM C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000113089080 643382811 /nfs/dbraw/zinc/38/28/11/643382811.db2.gz MASJLTRRFZNAIR-VIFPVBQESA-N -1 1 376.272 2.192 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2cccc(C[S@@](C)=O)c2)c(=O)[n-]1 ZINC000115261568 643431902 /nfs/dbraw/zinc/43/19/02/643431902.db2.gz FUTHNVJNEUZOOM-VWLOTQADSA-N -1 1 379.507 2.250 20 0 GEADMM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000116356041 643459643 /nfs/dbraw/zinc/45/96/43/643459643.db2.gz METOTSNJVKCLQR-MNOVXSKESA-N -1 1 378.416 2.466 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000539705275 650847831 /nfs/dbraw/zinc/84/78/31/650847831.db2.gz BQFDQCGHKJHLSX-UHFFFAOYSA-N -1 1 378.303 2.450 20 0 GEADMM Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(Br)c([O-])c3)C2)cn1 ZINC000119547406 643556653 /nfs/dbraw/zinc/55/66/53/643556653.db2.gz CLSDKVMMXGWQJM-GFCCVEGCSA-N -1 1 379.258 2.287 20 0 GEADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@H](O)C1 ZINC000119739250 643569780 /nfs/dbraw/zinc/56/97/80/643569780.db2.gz RNSINVJATGJFLD-HNNXBMFYSA-N -1 1 380.853 2.348 20 0 GEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc(Br)cc1F ZINC000119833572 643573543 /nfs/dbraw/zinc/57/35/43/643573543.db2.gz XTTJMSJOZXVOBX-UHFFFAOYSA-N -1 1 395.188 2.027 20 0 GEADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)c1 ZINC000120313672 643599739 /nfs/dbraw/zinc/59/97/39/643599739.db2.gz RKOMCIUWJNNUJX-UHFFFAOYSA-N -1 1 379.869 2.385 20 0 GEADMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])nnn1-c1ccn(C)n1 ZINC000498215805 650851859 /nfs/dbraw/zinc/85/18/59/650851859.db2.gz JDLUGQHVLOOXIG-UHFFFAOYSA-N -1 1 391.229 2.338 20 0 GEADMM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120395829 643604111 /nfs/dbraw/zinc/60/41/11/643604111.db2.gz MPIBIJYKSUQNEP-UHFFFAOYSA-N -1 1 399.257 2.168 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1Cl ZINC000122048867 643649465 /nfs/dbraw/zinc/64/94/65/643649465.db2.gz DSZWSABFYSSNJE-CHWSQXEVSA-N -1 1 390.843 2.075 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1Cl ZINC000122201214 643651930 /nfs/dbraw/zinc/65/19/30/643651930.db2.gz RTGVHHMMOFLLFD-SECBINFHSA-N -1 1 393.271 2.423 20 0 GEADMM COc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1NS(C)(=O)=O ZINC000540214274 650859931 /nfs/dbraw/zinc/85/99/31/650859931.db2.gz WCIPUDLQRBEWMM-UHFFFAOYSA-N -1 1 380.444 2.068 20 0 GEADMM CSCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000127108952 643757525 /nfs/dbraw/zinc/75/75/25/643757525.db2.gz YIYQTHHRMZYRBU-SSDOTTSWSA-N -1 1 390.271 2.120 20 0 GEADMM Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc(Br)c1=O ZINC000128660977 643809247 /nfs/dbraw/zinc/80/92/47/643809247.db2.gz XKTCMTVBNBLDIH-UHFFFAOYSA-N -1 1 379.182 2.227 20 0 GEADMM O=C(NCCc1nnc2n1CCCCC2)c1ccc(Br)c([O-])c1 ZINC000132957335 643889694 /nfs/dbraw/zinc/88/96/94/643889694.db2.gz QZLLRIXUYHRNOC-UHFFFAOYSA-N -1 1 379.258 2.445 20 0 GEADMM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000134666464 643905829 /nfs/dbraw/zinc/90/58/29/643905829.db2.gz FDMKOAGSJPULNL-UHFFFAOYSA-N -1 1 386.832 2.474 20 0 GEADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1cnn([C@H]2CCOC2)c1 ZINC000151868815 643957600 /nfs/dbraw/zinc/95/76/00/643957600.db2.gz JMAMXNGXFUOVGW-JSGCOSHPSA-N -1 1 375.372 2.426 20 0 GEADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1cnn([C@@H]2CCOC2)c1 ZINC000151868670 643957660 /nfs/dbraw/zinc/95/76/60/643957660.db2.gz JMAMXNGXFUOVGW-OCCSQVGLSA-N -1 1 375.372 2.426 20 0 GEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1Cl ZINC000542092567 650886682 /nfs/dbraw/zinc/88/66/82/650886682.db2.gz AZKZCFGFZOLSTE-UHFFFAOYSA-N -1 1 377.813 2.319 20 0 GEADMM CCC[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nn[n-]n1 ZINC000155477266 644074076 /nfs/dbraw/zinc/07/40/76/644074076.db2.gz APQDFRPAXZWXOI-LBPRGKRZSA-N -1 1 390.245 2.419 20 0 GEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000156498304 644099066 /nfs/dbraw/zinc/09/90/66/644099066.db2.gz UTHWYYKJLUHEFQ-UHFFFAOYSA-N -1 1 378.853 2.282 20 0 GEADMM Cc1ccc(O[C@@H](C)C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(Br)c1 ZINC000156546498 644102818 /nfs/dbraw/zinc/10/28/18/644102818.db2.gz ADZGEXBJRYBMDD-QWRGUYRKSA-N -1 1 382.262 2.300 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCN(c3cccs3)CC2)c(=O)[n-]1 ZINC000156808451 644118645 /nfs/dbraw/zinc/11/86/45/644118645.db2.gz CXWAPNKFSWZDTG-UHFFFAOYSA-N -1 1 378.523 2.143 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)o1 ZINC000158443785 644144822 /nfs/dbraw/zinc/14/48/22/644144822.db2.gz MPHOEOGHSVYYRB-UHFFFAOYSA-N -1 1 380.813 2.279 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000171042635 644303546 /nfs/dbraw/zinc/30/35/46/644303546.db2.gz HPQULVVUYJBECD-UWVGGRQHSA-N -1 1 380.297 2.456 20 0 GEADMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000173970678 644365104 /nfs/dbraw/zinc/36/51/04/644365104.db2.gz OTHJUKQRSYXDQK-MRVPVSSYSA-N -1 1 399.694 2.364 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000176719744 644403925 /nfs/dbraw/zinc/40/39/25/644403925.db2.gz RQEXMFDFFRPTNI-UHFFFAOYSA-N -1 1 380.323 2.257 20 0 GEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(C)(C)c2nccs2)c1F ZINC000177712709 644425956 /nfs/dbraw/zinc/42/59/56/644425956.db2.gz JZPKWDUPKBRUOM-UHFFFAOYSA-N -1 1 376.406 2.422 20 0 GEADMM CS(=O)(=O)c1cccc(NNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000181135191 644525620 /nfs/dbraw/zinc/52/56/20/644525620.db2.gz MJPXWUMSOWABIZ-UHFFFAOYSA-N -1 1 385.239 2.315 20 0 GEADMM CC(C)(CNC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Cl)c(Cl)c1 ZINC000544687307 650950346 /nfs/dbraw/zinc/95/03/46/650950346.db2.gz XAWFXJDATMNGNE-UHFFFAOYSA-N -1 1 380.235 2.432 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cn1C ZINC000544818568 650954459 /nfs/dbraw/zinc/95/44/59/650954459.db2.gz WMISCBMKMYXEMY-UHFFFAOYSA-N -1 1 386.813 2.354 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CN(C)c2ncnc3nc[nH]c32)c1 ZINC000182911366 644974268 /nfs/dbraw/zinc/97/42/68/644974268.db2.gz NVOGRNKSUNHDLL-UHFFFAOYSA-N -1 1 391.229 2.204 20 0 GEADMM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000183320960 644991666 /nfs/dbraw/zinc/99/16/66/644991666.db2.gz MKHDIADNRMSFEF-YUMQZZPRSA-N -1 1 399.694 2.364 20 0 GEADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000183377208 644991785 /nfs/dbraw/zinc/99/17/85/644991785.db2.gz HXOHMRDNMBTWNT-JTQLQIEISA-N -1 1 379.232 2.205 20 0 GEADMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000183785605 645003450 /nfs/dbraw/zinc/00/34/50/645003450.db2.gz QZKCUIAFGLXXJP-CYBMUJFWSA-N -1 1 376.843 2.496 20 0 GEADMM COC(=O)[C@@](C)(NC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000545506216 650977439 /nfs/dbraw/zinc/97/74/39/650977439.db2.gz QHCKCJPXUDUNIL-AWEZNQCLSA-N -1 1 389.189 2.068 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21)c1ccsc1 ZINC000184254906 645013286 /nfs/dbraw/zinc/01/32/86/645013286.db2.gz AENKHRNAAJNWBW-LBPRGKRZSA-N -1 1 385.854 2.470 20 0 GEADMM O=S(=O)([N-]Cc1nccn1CC(F)(F)F)c1ccc(Br)o1 ZINC000545370316 650972568 /nfs/dbraw/zinc/97/25/68/650972568.db2.gz OISIPQBMHMYSRA-UHFFFAOYSA-N -1 1 388.165 2.279 20 0 GEADMM Cc1c(Br)scc1C(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000186383776 645066373 /nfs/dbraw/zinc/06/63/73/645066373.db2.gz ZFFLITIGHPLHSF-UHFFFAOYSA-N -1 1 397.254 2.258 20 0 GEADMM CCn1cc(CN(C)C(=O)c2ccc(I)c([O-])c2)cn1 ZINC000545485576 650976839 /nfs/dbraw/zinc/97/68/39/650976839.db2.gz PZYRKWQIPKIBMU-UHFFFAOYSA-N -1 1 385.205 2.485 20 0 GEADMM CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000189027625 645131296 /nfs/dbraw/zinc/13/12/96/645131296.db2.gz NSRVNVUHBXJFDM-SNAWJCMRSA-N -1 1 380.388 2.463 20 0 GEADMM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)on1 ZINC000189422790 645137185 /nfs/dbraw/zinc/13/71/85/645137185.db2.gz QUFNLZWBCUCEEM-UHFFFAOYSA-N -1 1 390.215 2.441 20 0 GEADMM Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC000189976208 645146452 /nfs/dbraw/zinc/14/64/52/645146452.db2.gz RZCQKKSEMPIUTI-UHFFFAOYSA-N -1 1 377.202 2.030 20 0 GEADMM O=C(NCc1ccco1)N[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190256414 645149162 /nfs/dbraw/zinc/14/91/62/645149162.db2.gz FZPWSURWXSIFSO-UHFFFAOYSA-N -1 1 382.200 2.418 20 0 GEADMM O=C(Cc1ccccn1)N[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190286754 645149605 /nfs/dbraw/zinc/14/96/05/645149605.db2.gz LIMYZKHSURYFRI-UHFFFAOYSA-N -1 1 378.212 2.080 20 0 GEADMM CCc1cc2c(ncnc2NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)s1 ZINC000545917015 650985699 /nfs/dbraw/zinc/98/56/99/650985699.db2.gz OPGKLVASPBJLIG-UHFFFAOYSA-N -1 1 399.523 2.115 20 0 GEADMM Cn1nc(Br)cc1C(=O)NNC(=O)c1cc2ccccc2cc1[O-] ZINC000192329369 645200416 /nfs/dbraw/zinc/20/04/16/645200416.db2.gz WSJOFXYXWBNUSW-UHFFFAOYSA-N -1 1 389.209 2.116 20 0 GEADMM CCS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000546205738 650995560 /nfs/dbraw/zinc/99/55/60/650995560.db2.gz WSWVQENEUPSYTF-UHFFFAOYSA-N -1 1 393.408 2.376 20 0 GEADMM CCN(Cc1cnn(C)c1)C(=O)c1ccc(I)c([O-])c1 ZINC000546228421 650996584 /nfs/dbraw/zinc/99/65/84/650996584.db2.gz OGISITPXPDRKGZ-UHFFFAOYSA-N -1 1 385.205 2.393 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)cc1F ZINC000194139984 645314847 /nfs/dbraw/zinc/31/48/47/645314847.db2.gz YXHUAQGVGBRWJK-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM CCn1cc(NC(=O)c2cc(I)ccc2[O-])ccc1=O ZINC000194391166 645325562 /nfs/dbraw/zinc/32/55/62/645325562.db2.gz ORFHGEVYERCCMF-UHFFFAOYSA-N -1 1 384.173 2.431 20 0 GEADMM CC[C@H](C)NC(=O)CCNC(=O)c1cc(I)ccc1[O-] ZINC000194380925 645325634 /nfs/dbraw/zinc/32/56/34/645325634.db2.gz WVFJBDOQGSDPCR-VIFPVBQESA-N -1 1 390.221 2.031 20 0 GEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195161850 645359145 /nfs/dbraw/zinc/35/91/45/645359145.db2.gz IVZVZOPWSNFUSL-LLVKDONJSA-N -1 1 376.463 2.258 20 0 GEADMM C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195161850 645359152 /nfs/dbraw/zinc/35/91/52/645359152.db2.gz IVZVZOPWSNFUSL-LLVKDONJSA-N -1 1 376.463 2.258 20 0 GEADMM CCOCCS(=O)(=O)c1nnc(-c2ccc(OC)c(Br)c2)[n-]1 ZINC000195223868 645364299 /nfs/dbraw/zinc/36/42/99/645364299.db2.gz RHCWNNPOPWOBAF-UHFFFAOYSA-N -1 1 390.259 2.053 20 0 GEADMM CCOCCS(=O)(=O)c1n[n-]c(-c2ccc(OC)c(Br)c2)n1 ZINC000195223868 645364303 /nfs/dbraw/zinc/36/43/03/645364303.db2.gz RHCWNNPOPWOBAF-UHFFFAOYSA-N -1 1 390.259 2.053 20 0 GEADMM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000195326972 645371602 /nfs/dbraw/zinc/37/16/02/645371602.db2.gz KDVYXXJVASOFEH-UHFFFAOYSA-N -1 1 375.223 2.300 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)c1Cl ZINC000195342751 645372812 /nfs/dbraw/zinc/37/28/12/645372812.db2.gz 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Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000921863862 654335307 /nfs/dbraw/zinc/33/53/07/654335307.db2.gz QSQWMBBOYLUFFG-JSGCOSHPSA-N -1 1 383.436 2.402 20 0 GEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccnc(N2CCCCC2)c1 ZINC000872438645 654335295 /nfs/dbraw/zinc/33/52/95/654335295.db2.gz YEFGBKUOGBJFIA-XMMPIXPASA-N -1 1 388.559 2.303 20 0 GEADMM CCc1cnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)s1 ZINC000805018320 654336150 /nfs/dbraw/zinc/33/61/50/654336150.db2.gz GKZGLVMFMSKIBL-UHFFFAOYSA-N -1 1 396.462 2.180 20 0 GEADMM COc1ccc(OCCC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1 ZINC000872440838 654336768 /nfs/dbraw/zinc/33/67/68/654336768.db2.gz ZQJTZWHRDGPUPN-HSZRJFAPSA-N -1 1 378.516 2.195 20 0 GEADMM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872442268 654336848 /nfs/dbraw/zinc/33/68/48/654336848.db2.gz XVSPOAMSAAPPJU-DEOSSOPVSA-N -1 1 386.543 2.329 20 0 GEADMM O=S(=O)([N-]CCO[C@H]1CCOC1)c1cc(Br)sc1Cl ZINC000921884803 654337558 /nfs/dbraw/zinc/33/75/58/654337558.db2.gz WPJPIYZGQDXZQP-ZETCQYMHSA-N -1 1 390.708 2.248 20 0 GEADMM COC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br)C(C)C ZINC000921896550 654338878 /nfs/dbraw/zinc/33/88/78/654338878.db2.gz FKNPQIHXJSFANV-VIFPVBQESA-N -1 1 398.275 2.026 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(Br)n1C ZINC000805048363 654341170 /nfs/dbraw/zinc/34/11/70/654341170.db2.gz MUZZXQCWJMDXHL-GFCCVEGCSA-N -1 1 385.287 2.316 20 0 GEADMM O=S(=O)([N-]C[C@@]1(c2ccccc2)CCCO1)c1c[nH]nc1C(F)(F)F ZINC000921914132 654341302 /nfs/dbraw/zinc/34/13/02/654341302.db2.gz ASVDJTLJIXPCPQ-CQSZACIVSA-N -1 1 375.372 2.413 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCN1C1CCOCC1)c1sccc1Br ZINC000921912451 654341434 /nfs/dbraw/zinc/34/14/34/654341434.db2.gz NYBUJNMOEAMKBC-NSHDSACASA-N -1 1 395.344 2.042 20 0 GEADMM COc1cc(-c2noc(CCc3cnn(C)n3)n2)cc(Br)c1[O-] ZINC000834706342 654344872 /nfs/dbraw/zinc/34/48/72/654344872.db2.gz VIYMLIAZHUKBMY-UHFFFAOYSA-N -1 1 380.202 2.127 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)c(Br)n1C ZINC000805069288 654345475 /nfs/dbraw/zinc/34/54/75/654345475.db2.gz PSFILIUAQMVJHL-NWDGAFQWSA-N -1 1 394.335 2.363 20 0 GEADMM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc([S@@](C)=O)cc1 ZINC000872465607 654346452 /nfs/dbraw/zinc/34/64/52/654346452.db2.gz PLLNHKXXKNOAEL-NSKIEOBBSA-N -1 1 380.557 2.216 20 0 GEADMM C[C@@H](CN(C)[C@H](C(=O)[O-])c1cccc(Br)c1)CS(C)(=O)=O ZINC000905377409 654354554 /nfs/dbraw/zinc/35/45/54/654354554.db2.gz SPBRZQHDVUXFIE-GWCFXTLKSA-N -1 1 378.288 2.187 20 0 GEADMM Cn1nnc2c1C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CC2 ZINC000922041834 654358623 /nfs/dbraw/zinc/35/86/23/654358623.db2.gz JGWLZXJGWMUBJM-MRVPVSSYSA-N -1 1 379.244 2.097 20 0 GEADMM COc1ccc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c(OC)c1 ZINC000872509092 654360414 /nfs/dbraw/zinc/36/04/14/654360414.db2.gz MJLVKJJMZDMGRQ-BSNNYGBQSA-N -1 1 378.516 2.496 20 0 GEADMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@@H](Cc1cncs1)C(=O)OC ZINC000872544079 654368840 /nfs/dbraw/zinc/36/88/40/654368840.db2.gz CDHUGDCHKWDWHU-NSHDSACASA-N -1 1 384.470 2.218 20 0 GEADMM CSc1ccc(Br)cc1CCNCc1cn(CC(=O)[O-])nn1 ZINC000905774581 654379648 /nfs/dbraw/zinc/37/96/48/654379648.db2.gz IWLQSUKYRUMIGI-UHFFFAOYSA-N -1 1 385.287 2.179 20 0 GEADMM [O-]c1cc(Br)cnc1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000893613429 654410695 /nfs/dbraw/zinc/41/06/95/654410695.db2.gz KAKZIQVHXZNUGH-UHFFFAOYSA-N -1 1 397.248 2.210 20 0 GEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1ccccc1CN1CCOCC1 ZINC000906072142 654414324 /nfs/dbraw/zinc/41/43/24/654414324.db2.gz KIJGBLFTZQSDCI-XMMPIXPASA-N -1 1 389.543 2.072 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]c1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000906073190 654414314 /nfs/dbraw/zinc/41/43/14/654414314.db2.gz OKBUKWMVYKBHTJ-LCHIKPRUSA-N -1 1 389.543 2.070 20 0 GEADMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000855470509 654420373 /nfs/dbraw/zinc/42/03/73/654420373.db2.gz HSGOBTUIFFIQRN-UWVGGRQHSA-N -1 1 388.219 2.013 20 0 GEADMM Cc1ccc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1Cl ZINC000873644038 654444044 /nfs/dbraw/zinc/44/40/44/654444044.db2.gz RZANUSOIKMNIQR-GHMZBOCLSA-N -1 1 379.766 2.140 20 0 GEADMM C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000906981665 654495896 /nfs/dbraw/zinc/49/58/96/654495896.db2.gz MOMKICULSASQNP-QWRGUYRKSA-N -1 1 390.864 2.425 20 0 GEADMM CO[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc(Br)s1 ZINC000907106113 654510398 /nfs/dbraw/zinc/51/03/98/654510398.db2.gz ZVLAJOMMZBEPOZ-KCJUWKMLSA-N -1 1 386.275 2.117 20 0 GEADMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907302830 654529633 /nfs/dbraw/zinc/52/96/33/654529633.db2.gz QYHZAUQDDVMVPU-UHFFFAOYSA-N -1 1 389.193 2.011 20 0 GEADMM C[C@H](CN(C)C(=O)c1ccc(OC(F)F)c(Br)c1)c1nn[n-]n1 ZINC000907351187 654534794 /nfs/dbraw/zinc/53/47/94/654534794.db2.gz ZZDYCPJMKVYHHK-SSDOTTSWSA-N -1 1 390.188 2.439 20 0 GEADMM C[C@H](CN(C)C(=O)Cc1c[nH]c2ccc(Br)cc12)c1nn[n-]n1 ZINC000907350112 654534883 /nfs/dbraw/zinc/53/48/83/654534883.db2.gz MRFUSZWCTMDWHV-SECBINFHSA-N -1 1 377.246 2.248 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CC[C@@H]2CCC(C)(C)CO2)c(Br)n1C ZINC000907455935 654545073 /nfs/dbraw/zinc/54/50/73/654545073.db2.gz HHMVIZALFIYDBX-NSHDSACASA-N -1 1 394.335 2.365 20 0 GEADMM O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480631 654548258 /nfs/dbraw/zinc/54/82/58/654548258.db2.gz PUBRBEPNQPPUDF-XQQFMLRXSA-N -1 1 394.298 2.382 20 0 GEADMM O=C([C@@H]1CCc2cc(Br)ccc21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481664 654548339 /nfs/dbraw/zinc/54/83/39/654548339.db2.gz XQPZGLDXFWOFGZ-CHWSQXEVSA-N -1 1 394.298 2.309 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)c1F ZINC000907658798 654565328 /nfs/dbraw/zinc/56/53/28/654565328.db2.gz KQQVHBMEBDXKDI-FGWVZKOKSA-N -1 1 377.434 2.456 20 0 GEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2sccc2Cl)[n-]c1=O ZINC000908016034 654596560 /nfs/dbraw/zinc/59/65/60/654596560.db2.gz HEJSYEINDCQBGQ-SECBINFHSA-N -1 1 375.859 2.432 20 0 GEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)[n-]c1=O ZINC000908015334 654596643 /nfs/dbraw/zinc/59/66/43/654596643.db2.gz CDLARNGSZDCJJK-GHMZBOCLSA-N -1 1 377.413 2.093 20 0 GEADMM Cc1nc([C@@H]2CCN(C(=O)c3ccc(I)cc3[O-])C2)no1 ZINC000927321827 654599199 /nfs/dbraw/zinc/59/91/99/654599199.db2.gz MKWSACMTGZADCL-SECBINFHSA-N -1 1 399.188 2.318 20 0 GEADMM Cc1nc([C@H]2CCN(C(=O)c3cc(I)ccc3[O-])C2)no1 ZINC000927329558 654599721 /nfs/dbraw/zinc/59/97/21/654599721.db2.gz HKFXDRVAHSKUDO-VIFPVBQESA-N -1 1 399.188 2.318 20 0 GEADMM CS(=O)(=O)C1CCC(CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000927376310 654600595 /nfs/dbraw/zinc/60/05/95/654600595.db2.gz KQALZNZYAVACLI-UHFFFAOYSA-N -1 1 390.299 2.488 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCC(C)(C)O2)c(Br)n1C ZINC000908099742 654604257 /nfs/dbraw/zinc/60/42/57/654604257.db2.gz RKVGBFAQXNRCDW-JTQLQIEISA-N -1 1 380.308 2.117 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@H](O)C2CC2)c1F ZINC000908313766 654621231 /nfs/dbraw/zinc/62/12/31/654621231.db2.gz PYIJCJUZRRRKAE-JTQLQIEISA-N -1 1 382.251 2.036 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@H](O)C1CC1 ZINC000908311853 654621259 /nfs/dbraw/zinc/62/12/59/654621259.db2.gz GEYYUZPWRPQQDH-MYODQAERSA-N -1 1 386.417 2.029 20 0 GEADMM O=S(=O)([N-][C@H]1COC[C@H]1C1CC1)c1cc(Br)cnc1Cl ZINC000908407329 654626866 /nfs/dbraw/zinc/62/68/66/654626866.db2.gz DJFXRZYQMABRKW-UWVGGRQHSA-N -1 1 381.679 2.201 20 0 GEADMM O=S(=O)([N-][C@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1F ZINC000908619644 654636134 /nfs/dbraw/zinc/63/61/34/654636134.db2.gz RJZFLBYIEQOUOE-VIFPVBQESA-N -1 1 392.225 2.217 20 0 GEADMM CS(=O)(=O)N1CCC(CC(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908708195 654638134 /nfs/dbraw/zinc/63/81/34/654638134.db2.gz QGKVSCXTWOZPEI-UHFFFAOYSA-N -1 1 391.287 2.155 20 0 GEADMM CCC1(Cn2cc(C(=O)Nc3cccc([O-])c3Br)nn2)COC1 ZINC000908707524 654638179 /nfs/dbraw/zinc/63/81/79/654638179.db2.gz KCPLUOFHXLZPBU-UHFFFAOYSA-N -1 1 381.230 2.425 20 0 GEADMM O=C(Nc1cccc([O-])c1Br)c1ccnc(N2CCOCC2)n1 ZINC000908709623 654638529 /nfs/dbraw/zinc/63/85/29/654638529.db2.gz IAYPWUKJPYPINX-UHFFFAOYSA-N -1 1 379.214 2.034 20 0 GEADMM COc1ccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000908738134 654639240 /nfs/dbraw/zinc/63/92/40/654639240.db2.gz IKQAUJPKOCLDEG-AAEUAGOBSA-N -1 1 399.285 2.432 20 0 GEADMM Cc1c(I)ccc(NC(=O)CCCc2nn[n-]n2)c1C ZINC000928713456 654656662 /nfs/dbraw/zinc/65/66/62/654656662.db2.gz RLGCCSCXUQERRJ-UHFFFAOYSA-N -1 1 385.209 2.383 20 0 GEADMM O=C(CCc1nn[n-]n1)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000928928290 654666006 /nfs/dbraw/zinc/66/60/06/654666006.db2.gz OBYVKPTYFKFMLJ-LBPRGKRZSA-N -1 1 392.257 2.458 20 0 GEADMM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)c(Br)c1 ZINC000909673036 654670973 /nfs/dbraw/zinc/67/09/73/654670973.db2.gz PUBHWGGTWTZYMB-SECBINFHSA-N -1 1 378.226 2.292 20 0 GEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br)[C@@H]1CCSC1 ZINC000909954930 654684180 /nfs/dbraw/zinc/68/41/80/654684180.db2.gz OANUOKINLAGQID-QMTHXVAHSA-N -1 1 387.299 2.128 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000910172795 654690555 /nfs/dbraw/zinc/69/05/55/654690555.db2.gz FXIFHKFRKSCETN-BONVTDFDSA-N -1 1 375.252 2.034 20 0 GEADMM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC000910764821 654709725 /nfs/dbraw/zinc/70/97/25/654709725.db2.gz GRSJUJOOSFPDOX-UONOGXRCSA-N -1 1 385.258 2.136 20 0 GEADMM CN(CC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)[C@H]1CCSC1 ZINC000911060633 654716550 /nfs/dbraw/zinc/71/65/50/654716550.db2.gz DJAMGTLRXCVEQV-JSGCOSHPSA-N -1 1 376.400 2.385 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000911150359 654718217 /nfs/dbraw/zinc/71/82/17/654718217.db2.gz IWAWRTFGBGZTCG-VXGBXAGGSA-N -1 1 399.285 2.376 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000911671438 654729448 /nfs/dbraw/zinc/72/94/48/654729448.db2.gz VEWKPKUFXGZHOR-NSHDSACASA-N -1 1 394.269 2.343 20 0 GEADMM C[C@@](CO)(NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC000911760071 654731195 /nfs/dbraw/zinc/73/11/95/654731195.db2.gz YZOHBTMRYZKDIX-GTNSWQLSSA-N -1 1 389.279 2.114 20 0 GEADMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(C)cc1Br ZINC000912528241 654758403 /nfs/dbraw/zinc/75/84/03/654758403.db2.gz RBSBLNDNANMDLF-UHFFFAOYSA-N -1 1 375.200 2.035 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)c1nc(C(F)(F)F)cs1 ZINC000912542076 654759034 /nfs/dbraw/zinc/75/90/34/654759034.db2.gz KOGNGCZXXCFMGT-ZETCQYMHSA-N -1 1 398.388 2.101 20 0 GEADMM CSCC[C@H](NC(=O)COc1c(Cl)cccc1Cl)c1nn[n-]n1 ZINC000912859825 654771433 /nfs/dbraw/zinc/77/14/33/654771433.db2.gz DZXYUXOXDPRJKY-JTQLQIEISA-N -1 1 376.269 2.496 20 0 GEADMM CSCC[C@H](NC(=O)Cc1ccc(F)cc1Br)c1nn[n-]n1 ZINC000912862333 654771779 /nfs/dbraw/zinc/77/17/79/654771779.db2.gz MZCYALIPOFSPRM-NSHDSACASA-N -1 1 388.266 2.254 20 0 GEADMM O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493619 654795798 /nfs/dbraw/zinc/79/57/98/654795798.db2.gz DCTQSOIKCWVLAI-LLVKDONJSA-N -1 1 382.207 2.395 20 0 GEADMM O=C(CCCc1cc(Cl)sc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494707 654795865 /nfs/dbraw/zinc/79/58/65/654795865.db2.gz CGLXVARWVNSWFT-SECBINFHSA-N -1 1 376.269 2.491 20 0 GEADMM C[C@H](CC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000913497000 654796134 /nfs/dbraw/zinc/79/61/34/654796134.db2.gz GLNXSMJIRALZFB-RNCFNFMXSA-N -1 1 398.236 2.195 20 0 GEADMM O=C(c1cccc2cccc(Br)c21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496993 654796177 /nfs/dbraw/zinc/79/61/77/654796177.db2.gz GGOAMPQFTFYOIX-CYBMUJFWSA-N -1 1 388.225 2.329 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)Cc2c[nH]nc21 ZINC000913586829 654800919 /nfs/dbraw/zinc/80/09/19/654800919.db2.gz DPMISFCWMCVOHY-QMMMGPOBSA-N -1 1 383.189 2.479 20 0 GEADMM COc1c(Br)ccc(F)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913746492 654807432 /nfs/dbraw/zinc/80/74/32/654807432.db2.gz XBCWXAYDMYMPFD-UHFFFAOYSA-N -1 1 384.209 2.130 20 0 GEADMM O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913745958 654807492 /nfs/dbraw/zinc/80/74/92/654807492.db2.gz IIYMBORVDNOXBI-GFCCVEGCSA-N -1 1 392.257 2.235 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)Cc2ccsc2Br)CCCC1 ZINC000913896630 654814333 /nfs/dbraw/zinc/81/43/33/654814333.db2.gz HORIHQHLBCNTLQ-UHFFFAOYSA-N -1 1 382.301 2.416 20 0 GEADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000913966776 654819088 /nfs/dbraw/zinc/81/90/88/654819088.db2.gz RFUOMSNDHNOMMC-RKDXNWHRSA-N -1 1 391.291 2.213 20 0 GEADMM CC[C@@](C)([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC ZINC000914023541 654822219 /nfs/dbraw/zinc/82/22/19/654822219.db2.gz BSALQNWPVIVPKE-CYBMUJFWSA-N -1 1 398.250 2.217 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)c1F ZINC000914140888 654829262 /nfs/dbraw/zinc/82/92/62/654829262.db2.gz RVNPLYNPGKYEHO-ZJUUUORDSA-N -1 1 382.251 2.179 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](O)C(C)(C)C)c1F ZINC000914160116 654830670 /nfs/dbraw/zinc/83/06/70/654830670.db2.gz WIEWOEIRMUEEIT-JTQLQIEISA-N -1 1 384.267 2.282 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c1F ZINC000914175824 654832573 /nfs/dbraw/zinc/83/25/73/654832573.db2.gz MWXUVACMNJGICY-JTQLQIEISA-N -1 1 382.251 2.036 20 0 GEADMM CC(C)(CCO)C[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914208554 654835505 /nfs/dbraw/zinc/83/55/05/654835505.db2.gz VWKJDZVIPFYFKS-QHCPKHFHSA-N -1 1 388.433 2.276 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C1CC1 ZINC000914277663 654841525 /nfs/dbraw/zinc/84/15/25/654841525.db2.gz LZYPLZXIZDYDQO-JTQLQIEISA-N -1 1 382.251 2.300 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)c1F ZINC000914398664 654851127 /nfs/dbraw/zinc/85/11/27/654851127.db2.gz MVUGLOSRBPDOQF-VHSXEESVSA-N -1 1 382.251 2.035 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c1F ZINC000914425398 654853559 /nfs/dbraw/zinc/85/35/59/654853559.db2.gz WLDDJZSIMLDXAM-IUCAKERBSA-N -1 1 382.251 2.036 20 0 GEADMM CC1(C)C[C@](C)([N-]S(=O)(=O)Cc2ccsc2Br)C(=O)O1 ZINC000915922605 654882381 /nfs/dbraw/zinc/88/23/81/654882381.db2.gz YEZXZIXICORJFS-LBPRGKRZSA-N -1 1 382.301 2.414 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1CCn2ccnc21 ZINC000915991856 654883998 /nfs/dbraw/zinc/88/39/98/654883998.db2.gz IBQPRFRVBAZOKO-JNDILOIQSA-N -1 1 394.400 2.209 20 0 GEADMM C[C@H](CCO)CC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000915992720 654884382 /nfs/dbraw/zinc/88/43/82/654884382.db2.gz UVLSATCQQRQAGE-RULNZOCKSA-N -1 1 388.433 2.276 20 0 GEADMM O=C(c1ncc(C(F)(F)F)cc1Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935457080 654894616 /nfs/dbraw/zinc/89/46/16/654894616.db2.gz OJOOTCRQNMMIPV-MRVPVSSYSA-N -1 1 378.767 2.197 20 0 GEADMM Cc1c(Br)cc(F)cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935455155 654894664 /nfs/dbraw/zinc/89/46/64/654894664.db2.gz DISGFGNDTXUOJE-LLVKDONJSA-N -1 1 386.250 2.340 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1nc2cccc(C)c2s1 ZINC000480104565 531367091 /nfs/dbraw/zinc/36/70/91/531367091.db2.gz KMCDVGLBIIHSTO-UHFFFAOYSA-N -1 1 384.508 2.466 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)c1 ZINC000151799375 531520723 /nfs/dbraw/zinc/52/07/23/531520723.db2.gz HNRKTQKTJLLHJK-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM Cn1cc(Cl)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021006486 531585242 /nfs/dbraw/zinc/58/52/42/531585242.db2.gz HLJXYDZIYZXDNL-UHFFFAOYSA-N -1 1 383.857 2.421 20 0 GEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[n-]1 ZINC000153149588 531592794 /nfs/dbraw/zinc/59/27/94/531592794.db2.gz NLOXMKQZKFILAX-MRVPVSSYSA-N -1 1 391.280 2.325 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)c(F)c1 ZINC000155081684 531656357 /nfs/dbraw/zinc/65/63/57/531656357.db2.gz UVHBCGHFJIPMRL-ZDUSSCGKSA-N -1 1 389.836 2.022 20 0 GEADMM Cn1ncc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c1C(F)(F)F ZINC000155334724 531676213 /nfs/dbraw/zinc/67/62/13/531676213.db2.gz SGHCXHGYZDUUDO-RUZDIDTESA-N -1 1 388.293 2.402 20 0 GEADMM CSc1nc(C)c(CCC(=O)Oc2cccc(S(C)(=O)=O)c2)c(=O)[n-]1 ZINC000044769594 531686305 /nfs/dbraw/zinc/68/63/05/531686305.db2.gz DTARLWIJVYSXRY-UHFFFAOYSA-N -1 1 382.463 2.154 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cnc(C)s2)c(Br)o1 ZINC000155856628 531702604 /nfs/dbraw/zinc/70/26/04/531702604.db2.gz HLWBVHAHPNLYNH-UHFFFAOYSA-N -1 1 395.256 2.072 20 0 GEADMM CCOC(=O)c1sc2[n-]c(Cn3cc(Br)cn3)nc(=O)c2c1C ZINC000156121461 531716861 /nfs/dbraw/zinc/71/68/61/531716861.db2.gz XBNDZSUBEFDJJT-UHFFFAOYSA-N -1 1 397.254 2.477 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)N1CCCCC1 ZINC000048445462 531732144 /nfs/dbraw/zinc/73/21/44/531732144.db2.gz HOYRXMMJMGQYBJ-VIFPVBQESA-N -1 1 381.317 2.190 20 0 GEADMM O=C(CCc1nccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000055158068 531784022 /nfs/dbraw/zinc/78/40/22/531784022.db2.gz NANGLXOJPYPBPF-UHFFFAOYSA-N -1 1 381.479 2.205 20 0 GEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000055616662 531795865 /nfs/dbraw/zinc/79/58/65/531795865.db2.gz SAVLLBOFKBPCLA-UHFFFAOYSA-N -1 1 382.463 2.239 20 0 GEADMM CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000060341729 531841283 /nfs/dbraw/zinc/84/12/83/531841283.db2.gz WTJNESSFEDKPAS-UHFFFAOYSA-N -1 1 383.495 2.054 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c1 ZINC000064474633 531865288 /nfs/dbraw/zinc/86/52/88/531865288.db2.gz CGDNBFCFDJXHCQ-UHFFFAOYSA-N -1 1 397.503 2.314 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000164687643 531870237 /nfs/dbraw/zinc/87/02/37/531870237.db2.gz UIKINEFCOVHESF-JTQLQIEISA-N -1 1 388.205 2.026 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1Cl ZINC000069042058 531908233 /nfs/dbraw/zinc/90/82/33/531908233.db2.gz BOZOADFGWIBIJJ-SNVBAGLBSA-N -1 1 390.843 2.157 20 0 GEADMM CC(C)CN(CC(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000097546037 531937308 /nfs/dbraw/zinc/93/73/08/531937308.db2.gz SQISTPNQOZPHFL-UHFFFAOYSA-N -1 1 380.507 2.500 20 0 GEADMM Cn1ccnc1SCc1ccc(C(=O)NCCc2n[n-]c(=S)n2C)o1 ZINC000097550833 531938192 /nfs/dbraw/zinc/93/81/92/531938192.db2.gz JCIKAZSFPKXNDR-UHFFFAOYSA-N -1 1 378.483 2.069 20 0 GEADMM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Br)cc1[O-] ZINC000093908238 531927935 /nfs/dbraw/zinc/92/79/35/531927935.db2.gz HCQNMSRYTLUCPJ-AWEZNQCLSA-N -1 1 375.222 2.207 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(CN(C)C)c1 ZINC000114054165 531954999 /nfs/dbraw/zinc/95/49/99/531954999.db2.gz NCEMOGXXFHAMGR-UHFFFAOYSA-N -1 1 382.507 2.261 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000120912925 532002528 /nfs/dbraw/zinc/00/25/28/532002528.db2.gz XABDJXJEDGVNHF-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@@H](c3ccsc3)C2)c(=O)[n-]1 ZINC000120942509 532003553 /nfs/dbraw/zinc/00/35/53/532003553.db2.gz WDRQEILJXWTVRA-CQSZACIVSA-N -1 1 379.507 2.394 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Br)ccc2F)co1 ZINC000121668550 532040455 /nfs/dbraw/zinc/04/04/55/532040455.db2.gz GEHFOFCTFBCEOY-UHFFFAOYSA-N -1 1 377.191 2.342 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000175005384 532087095 /nfs/dbraw/zinc/08/70/95/532087095.db2.gz PIPDWUWRYIUGEL-UHFFFAOYSA-N -1 1 388.280 2.344 20 0 GEADMM C[C@H](CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[S@](C)=O ZINC000123962655 532111308 /nfs/dbraw/zinc/11/13/08/532111308.db2.gz YVBSCENKHDZTGU-QOLSBQFWSA-N -1 1 390.271 2.163 20 0 GEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000124297859 532117961 /nfs/dbraw/zinc/11/79/61/532117961.db2.gz ASWQWLNEVOPBFT-LLVKDONJSA-N -1 1 393.273 2.195 20 0 GEADMM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000124842692 532130684 /nfs/dbraw/zinc/13/06/84/532130684.db2.gz BLBPTSLNHLBZHW-ZETCQYMHSA-N -1 1 386.214 2.205 20 0 GEADMM CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000127654984 532155874 /nfs/dbraw/zinc/15/58/74/532155874.db2.gz FTRAOBMDCCGQCQ-CQSZACIVSA-N -1 1 378.491 2.444 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)co1 ZINC000129671436 532181379 /nfs/dbraw/zinc/18/13/79/532181379.db2.gz LHFSHJASXIVFSR-CYBMUJFWSA-N -1 1 384.479 2.071 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)co1 ZINC000129044558 532172367 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532507712 /nfs/dbraw/zinc/50/77/12/532507712.db2.gz SRZNUMXMIUXZOR-VIFPVBQESA-N -1 1 389.836 2.347 20 0 GEADMM CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(=O)OC ZINC000594462843 532508177 /nfs/dbraw/zinc/50/81/77/532508177.db2.gz MZKGKPOZAYLLLV-NSHDSACASA-N -1 1 395.836 2.276 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000630224957 532509351 /nfs/dbraw/zinc/50/93/51/532509351.db2.gz RIQUJHQADOQZSB-LBPRGKRZSA-N -1 1 379.507 2.422 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[N@@H+]1C1CC1 ZINC000563799645 532509787 /nfs/dbraw/zinc/50/97/87/532509787.db2.gz XKYNXHUOLRUIHY-JQWIXIFHSA-N -1 1 383.901 2.128 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000630223133 532510353 /nfs/dbraw/zinc/51/03/53/532510353.db2.gz KALSEXRVHAFPDJ-ZDUSSCGKSA-N -1 1 395.297 2.488 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(C)o2)C(F)(F)F)cn1 ZINC000594481240 532511040 /nfs/dbraw/zinc/51/10/40/532511040.db2.gz KMKVWPUSXJIHTO-LBPRGKRZSA-N 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GEADMM CCCCN(CCCO)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564512550 532526858 /nfs/dbraw/zinc/52/68/58/532526858.db2.gz CARZMARFWGNZAY-UHFFFAOYSA-N -1 1 397.324 2.283 20 0 GEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1Cl ZINC000432782380 532545128 /nfs/dbraw/zinc/54/51/28/532545128.db2.gz XAZCFXPMCCSCQK-UHFFFAOYSA-N -1 1 384.841 2.322 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OC(C)(C)C ZINC000594794159 532530413 /nfs/dbraw/zinc/53/04/13/532530413.db2.gz KSZMPXDNHCYUON-JTQLQIEISA-N -1 1 379.276 2.243 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C ZINC000525534736 532532766 /nfs/dbraw/zinc/53/27/66/532532766.db2.gz PGHNKRCREKHWHX-XMMPIXPASA-N -1 1 381.475 2.461 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)COc2c(F)cccc2F)c1 ZINC000594839114 532533032 /nfs/dbraw/zinc/53/30/32/532533032.db2.gz BIDIZDAWXSSBMV-SECBINFHSA-N -1 1 375.349 2.090 20 0 GEADMM COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2NS(C)(=O)=O)ccc1F ZINC000471603857 532554009 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COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2Br)cs1 ZINC000433396208 532567611 /nfs/dbraw/zinc/56/76/11/532567611.db2.gz DBLMCPMJFMXFKL-UHFFFAOYSA-N -1 1 377.241 2.493 20 0 GEADMM CN1CC[C@H]2CCN(S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000375578085 532567879 /nfs/dbraw/zinc/56/78/79/532567879.db2.gz NALDUTWKUOMOCK-ZANVPECISA-N -1 1 393.292 2.406 20 0 GEADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)o1 ZINC000433433572 532568994 /nfs/dbraw/zinc/56/89/94/532568994.db2.gz MEHPNWDVTJEHBC-UHFFFAOYSA-N -1 1 399.675 2.334 20 0 GEADMM O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1s[n-]c(=O)c1Cl ZINC000283610744 532549027 /nfs/dbraw/zinc/54/90/27/532549027.db2.gz YZNIGOHBHYFDQX-OLZOCXBDSA-N -1 1 381.885 2.115 20 0 GEADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@H]1CCOC1)c1c[nH]nc1C(F)(F)F ZINC000632177223 532586440 /nfs/dbraw/zinc/58/64/40/532586440.db2.gz OVZNZUHRGNULCK-AAEUAGOBSA-N -1 1 375.372 2.485 20 0 GEADMM Cn1c(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)nnc1C1CC1 ZINC000632198212 532588629 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GEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2c(Cl)cnn2C)c1 ZINC000613208319 532729358 /nfs/dbraw/zinc/72/93/58/532729358.db2.gz UMIHLXLQSMECAU-UHFFFAOYSA-N -1 1 386.861 2.062 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1 ZINC000539399709 532729382 /nfs/dbraw/zinc/72/93/82/532729382.db2.gz YNZLYZMBQJVKFV-UHFFFAOYSA-N -1 1 386.520 2.426 20 0 GEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1nn(C)cc1Br ZINC000577063235 532732488 /nfs/dbraw/zinc/73/24/88/532732488.db2.gz YVUNQKAVPILARV-GFCCVEGCSA-N -1 1 388.287 2.182 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc(Cl)cc2)sc1C ZINC000676413329 532743390 /nfs/dbraw/zinc/74/33/90/532743390.db2.gz BUGFLKMWBVJUPW-UHFFFAOYSA-N -1 1 394.927 2.166 20 0 GEADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)ccc1NC(N)=O ZINC000577121012 532734367 /nfs/dbraw/zinc/73/43/67/532734367.db2.gz SBYMYKXLGJMDMZ-UHFFFAOYSA-N -1 1 385.423 2.055 20 0 GEADMM Cc1nccnc1N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000442969236 532737344 /nfs/dbraw/zinc/73/73/44/532737344.db2.gz 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CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000447756579 532757545 /nfs/dbraw/zinc/75/75/45/532757545.db2.gz GKCCMJHHJFDDFW-CQSZACIVSA-N -1 1 399.266 2.427 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(F)(F)F ZINC000451031821 532761210 /nfs/dbraw/zinc/76/12/10/532761210.db2.gz NOGZJXCSNLIPCD-UHFFFAOYSA-N -1 1 389.193 2.167 20 0 GEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)c1 ZINC000509075350 532766157 /nfs/dbraw/zinc/76/61/57/532766157.db2.gz PTYKROPODJKWGM-GFCCVEGCSA-N -1 1 380.491 2.320 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(Br)n1C ZINC000286801032 532768936 /nfs/dbraw/zinc/76/89/36/532768936.db2.gz YVUMKPXFPCFLNU-UHFFFAOYSA-N -1 1 376.251 2.151 20 0 GEADMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509430603 532769754 /nfs/dbraw/zinc/76/97/54/532769754.db2.gz LFVXXALXKLKCIJ-PELKAZGASA-N -1 1 384.281 2.465 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545956340 532785088 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Cc1nc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c(Br)n1C ZINC000287902883 532813133 /nfs/dbraw/zinc/81/31/33/532813133.db2.gz SINOSHOEHUIYFB-UHFFFAOYSA-N -1 1 379.667 2.018 20 0 GEADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000414041293 532817575 /nfs/dbraw/zinc/81/75/75/532817575.db2.gz RGKBQIJUFGIZJW-KOLCDFICSA-N -1 1 375.206 2.230 20 0 GEADMM COc1cc(OC)c(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1Cl ZINC000414451471 532827524 /nfs/dbraw/zinc/82/75/24/532827524.db2.gz JQBXEHIDKWMGRY-LBPRGKRZSA-N -1 1 389.779 2.357 20 0 GEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[C@]12CCCO2 ZINC000273604739 532827730 /nfs/dbraw/zinc/82/77/30/532827730.db2.gz MOBVHGZVXWKBPA-MISXGVKJSA-N -1 1 381.281 2.393 20 0 GEADMM CC[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000288534760 532830244 /nfs/dbraw/zinc/83/02/44/532830244.db2.gz DCQBZKFFDUPKJV-KOLCDFICSA-N -1 1 376.272 2.192 20 0 GEADMM COCCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)cc1 ZINC000414465867 532829702 /nfs/dbraw/zinc/82/97/02/532829702.db2.gz ACLIHMBIWDBVDE-UHFFFAOYSA-N -1 1 390.259 2.307 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CN1CCOCC1 ZINC000331228722 532836175 /nfs/dbraw/zinc/83/61/75/532836175.db2.gz OOFCNMDACRVLRU-JTQLQIEISA-N -1 1 385.288 2.379 20 0 GEADMM CSc1cc2c(cc1[N-]C(=O)c1ncccc1S(C)(=O)=O)OCCO2 ZINC000415082593 532838004 /nfs/dbraw/zinc/83/80/04/532838004.db2.gz MGLIJDFBMLELPQ-UHFFFAOYSA-N -1 1 380.447 2.231 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000064467834 205189724 /nfs/dbraw/zinc/18/97/24/205189724.db2.gz QBDFXNCZVIBTJE-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM O=C(CN1CCCC[C@H]1c1nc(=O)[n-][nH]1)Nc1ccc(Br)cc1 ZINC000289315120 532852149 /nfs/dbraw/zinc/85/21/49/532852149.db2.gz JMXOUYYMJGOOSF-LBPRGKRZSA-N -1 1 380.246 2.026 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ncc(C3(O)CCCCC3)s2)o1 ZINC000274695088 532854493 /nfs/dbraw/zinc/85/44/93/532854493.db2.gz NWDLBYFPZOOUMR-UHFFFAOYSA-N -1 1 385.467 2.048 20 0 GEADMM Cc1cnc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c([O-])c1 ZINC000332408468 532854713 /nfs/dbraw/zinc/85/47/13/532854713.db2.gz ZXZOYZSDTWDNRJ-UHFFFAOYSA-N -1 1 377.242 2.216 20 0 GEADMM CN(C)c1ncnc(Cl)c1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289450032 532854940 /nfs/dbraw/zinc/85/49/40/532854940.db2.gz KZBLQPDLIHLPNX-JTQLQIEISA-N -1 1 379.814 2.087 20 0 GEADMM COc1ccc(CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(Br)c1OC ZINC000289461402 532855922 /nfs/dbraw/zinc/85/59/22/532855922.db2.gz QCGJCMSAUYSGTH-LLVKDONJSA-N -1 1 397.273 2.257 20 0 GEADMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCOC1=O ZINC000289563374 532859501 /nfs/dbraw/zinc/85/95/01/532859501.db2.gz NWVUQUNFNZTAKS-LLVKDONJSA-N -1 1 386.626 2.226 20 0 GEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000274969976 532860894 /nfs/dbraw/zinc/86/08/94/532860894.db2.gz KFROKXUETRNBGH-GFCCVEGCSA-N -1 1 381.281 2.211 20 0 GEADMM COC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)CC1 ZINC000289682780 532862678 /nfs/dbraw/zinc/86/26/78/532862678.db2.gz ZNRIBYKMZMPXHU-MRVPVSSYSA-N -1 1 375.397 2.012 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000416135662 532865023 /nfs/dbraw/zinc/86/50/23/532865023.db2.gz RLVOAPHJKKAJJR-UHFFFAOYSA-N -1 1 394.225 2.468 20 0 GEADMM COCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)OC ZINC000289823202 532865392 /nfs/dbraw/zinc/86/53/92/532865392.db2.gz JIFCWMCYSABVHS-SNVBAGLBSA-N -1 1 389.779 2.215 20 0 GEADMM O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc(I)ccc1[O-] ZINC000416355505 532871606 /nfs/dbraw/zinc/87/16/06/532871606.db2.gz SYLMYKAFHSEESV-SECBINFHSA-N -1 1 396.175 2.066 20 0 GEADMM CC[C@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1 ZINC000349561029 532882673 /nfs/dbraw/zinc/88/26/73/532882673.db2.gz ZLQKCAKUURDUQO-LSDHHAIUSA-N -1 1 389.543 2.020 20 0 GEADMM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349613250 532883918 /nfs/dbraw/zinc/88/39/18/532883918.db2.gz WFEVYDYODKEWFJ-LSDHHAIUSA-N -1 1 389.543 2.054 20 0 GEADMM CCCOC1(c2noc(C[N-]S(=O)(=O)CCOCC)n2)CCCCC1 ZINC000350329798 532885383 /nfs/dbraw/zinc/88/53/83/532885383.db2.gz FDJNHBANOCVWRL-UHFFFAOYSA-N -1 1 375.491 2.112 20 0 GEADMM C[C@H](CNC(=O)c1c([O-])cnc2c(Br)cccc21)c1nncn1C ZINC000290624133 532885131 /nfs/dbraw/zinc/88/51/31/532885131.db2.gz CIWHKBMQCSUFRG-SECBINFHSA-N -1 1 390.241 2.365 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC(=O)N(C2CC2)C1 ZINC000290806235 532889703 /nfs/dbraw/zinc/88/97/03/532889703.db2.gz FSUJSPYFQKULPE-UHFFFAOYSA-N -1 1 376.210 2.107 20 0 GEADMM COCCC1(C)CN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000291193512 532897986 /nfs/dbraw/zinc/89/79/86/532897986.db2.gz KRJYAEUNGVTJHR-UHFFFAOYSA-N -1 1 375.206 2.495 20 0 GEADMM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cccc2c1OCCO2 ZINC000292805318 532918684 /nfs/dbraw/zinc/91/86/84/532918684.db2.gz MPTPUJDKDACPRR-NSHDSACASA-N -1 1 380.369 2.496 20 0 GEADMM Cc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1I ZINC000366648213 532919671 /nfs/dbraw/zinc/91/96/71/532919671.db2.gz AJZVQTCREBYCDL-NSHDSACASA-N -1 1 397.220 2.133 20 0 GEADMM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293566362 532928872 /nfs/dbraw/zinc/92/88/72/532928872.db2.gz SIZHUVROHLYTJL-DTWKUNHWSA-N -1 1 383.417 2.291 20 0 GEADMM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)C2)n(C)n1 ZINC000369359842 532938922 /nfs/dbraw/zinc/93/89/22/532938922.db2.gz ULOJMUSHYSPUOY-LBPRGKRZSA-N -1 1 386.880 2.468 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000294466629 532939600 /nfs/dbraw/zinc/93/96/00/532939600.db2.gz VAYAVVFFESMYHZ-UHFFFAOYSA-N -1 1 377.344 2.084 20 0 GEADMM O=C(CCOc1cccc(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000371361095 532947669 /nfs/dbraw/zinc/94/76/69/532947669.db2.gz QNFFLOYIPFJSBA-LLVKDONJSA-N -1 1 380.246 2.137 20 0 GEADMM CCCN1CCCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000371854263 532949655 /nfs/dbraw/zinc/94/96/55/532949655.db2.gz WJFQVMWVPCKMMJ-UHFFFAOYSA-N -1 1 378.853 2.284 20 0 GEADMM Clc1ccc(NCc2ccnc(OC3CCOCC3)c2)nc1-c1nnn[n-]1 ZINC000737573484 598830602 /nfs/dbraw/zinc/83/06/02/598830602.db2.gz IMWOVWMWIGUGMT-UHFFFAOYSA-N -1 1 387.831 2.480 20 0 GEADMM Clc1ccc(NCc2ccnc(OC3CCOCC3)c2)nc1-c1nn[n-]n1 ZINC000737573484 598830604 /nfs/dbraw/zinc/83/06/04/598830604.db2.gz IMWOVWMWIGUGMT-UHFFFAOYSA-N -1 1 387.831 2.480 20 0 GEADMM COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736912172 598833852 /nfs/dbraw/zinc/83/38/52/598833852.db2.gz ZQGKIVCRHRJFOK-STQMWFEESA-N -1 1 383.433 2.021 20 0 GEADMM O=C(CCn1cccn1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737861042 598847340 /nfs/dbraw/zinc/84/73/40/598847340.db2.gz AFXDFUHCYZMMRL-UHFFFAOYSA-N -1 1 379.449 2.498 20 0 GEADMM C[C@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736204521 598873363 /nfs/dbraw/zinc/87/33/63/598873363.db2.gz QWNUYHBUXYZRSF-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM C[C@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736204521 598873365 /nfs/dbraw/zinc/87/33/65/598873365.db2.gz QWNUYHBUXYZRSF-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM Cc1csc(N(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C2CC2)n1 ZINC000737453627 598924189 /nfs/dbraw/zinc/92/41/89/598924189.db2.gz XTYAIOOTZXCRNF-UHFFFAOYSA-N -1 1 399.480 2.477 20 0 GEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1C ZINC000735489489 598929745 /nfs/dbraw/zinc/92/97/45/598929745.db2.gz ZUCZDEMIDVPYFQ-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000737301898 598930622 /nfs/dbraw/zinc/93/06/22/598930622.db2.gz VCZMWHJBQUVLPF-UHFFFAOYSA-N -1 1 383.389 2.082 20 0 GEADMM COc1cc2c(cc1OC)CN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000737055887 598934664 /nfs/dbraw/zinc/93/46/64/598934664.db2.gz QNQYYAUUPOHARM-UHFFFAOYSA-N -1 1 389.419 2.390 20 0 GEADMM COc1cc2c(cc1OC)CN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000737055887 598934666 /nfs/dbraw/zinc/93/46/66/598934666.db2.gz QNQYYAUUPOHARM-UHFFFAOYSA-N -1 1 389.419 2.390 20 0 GEADMM Cc1cc(C)n2nc(Sc3c4ccccc4nnc3-c3nn[n-]n3)nc2n1 ZINC000737256745 598934825 /nfs/dbraw/zinc/93/48/25/598934825.db2.gz MTZBECGCESBNRD-UHFFFAOYSA-N -1 1 376.409 2.016 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Sc1nnc(N2CCCC2)s1 ZINC000738437314 598937696 /nfs/dbraw/zinc/93/76/96/598937696.db2.gz ODJLGVVAZXMMJA-UHFFFAOYSA-N -1 1 383.466 2.413 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735633717 598961678 /nfs/dbraw/zinc/96/16/78/598961678.db2.gz QRXXWLNGRQQQFC-LBPRGKRZSA-N -1 1 396.455 2.303 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735633717 598961680 /nfs/dbraw/zinc/96/16/80/598961680.db2.gz QRXXWLNGRQQQFC-LBPRGKRZSA-N -1 1 396.455 2.303 20 0 GEADMM CC(C)(C)OC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735623940 598964368 /nfs/dbraw/zinc/96/43/68/598964368.db2.gz NNPGTKPWABQQBF-UHFFFAOYSA-N -1 1 381.440 2.368 20 0 GEADMM CC(C)(C)OC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735623940 598964370 /nfs/dbraw/zinc/96/43/70/598964370.db2.gz NNPGTKPWABQQBF-UHFFFAOYSA-N -1 1 381.440 2.368 20 0 GEADMM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737614082 598970999 /nfs/dbraw/zinc/97/09/99/598970999.db2.gz SCVMHGLFTQBTEX-ZDUSSCGKSA-N -1 1 392.872 2.384 20 0 GEADMM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737614082 598971001 /nfs/dbraw/zinc/97/10/01/598971001.db2.gz SCVMHGLFTQBTEX-ZDUSSCGKSA-N -1 1 392.872 2.384 20 0 GEADMM COc1cc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC(F)F ZINC000737047817 598986483 /nfs/dbraw/zinc/98/64/83/598986483.db2.gz SBXNTNIHPCKBHG-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1cc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC(F)F ZINC000737047817 598986485 /nfs/dbraw/zinc/98/64/85/598986485.db2.gz SBXNTNIHPCKBHG-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736317934 598991936 /nfs/dbraw/zinc/99/19/36/598991936.db2.gz APYSJNHOCRONTK-GFCCVEGCSA-N -1 1 379.424 2.176 20 0 GEADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736317934 598991937 /nfs/dbraw/zinc/99/19/37/598991937.db2.gz APYSJNHOCRONTK-GFCCVEGCSA-N -1 1 379.424 2.176 20 0 GEADMM O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738010240 598994582 /nfs/dbraw/zinc/99/45/82/598994582.db2.gz CSUVKMKGNZNEFF-UHFFFAOYSA-N -1 1 385.225 2.443 20 0 GEADMM O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738010240 598994584 /nfs/dbraw/zinc/99/45/84/598994584.db2.gz CSUVKMKGNZNEFF-UHFFFAOYSA-N -1 1 385.225 2.443 20 0 GEADMM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737132478 598997875 /nfs/dbraw/zinc/99/78/75/598997875.db2.gz ZBJLNUBNMVMYQP-QGZVFWFLSA-N -1 1 394.435 2.092 20 0 GEADMM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737132478 598997876 /nfs/dbraw/zinc/99/78/76/598997876.db2.gz ZBJLNUBNMVMYQP-QGZVFWFLSA-N -1 1 394.435 2.092 20 0 GEADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000735856998 598999419 /nfs/dbraw/zinc/99/94/19/598999419.db2.gz OGNNXBQJDCXOOS-UHFFFAOYSA-N -1 1 393.451 2.154 20 0 GEADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000735856998 598999421 /nfs/dbraw/zinc/99/94/21/598999421.db2.gz OGNNXBQJDCXOOS-UHFFFAOYSA-N -1 1 393.451 2.154 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Br ZINC000737104626 599006162 /nfs/dbraw/zinc/00/61/62/599006162.db2.gz SMXUCLJVPZXCJE-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Br ZINC000737104626 599006164 /nfs/dbraw/zinc/00/61/64/599006164.db2.gz SMXUCLJVPZXCJE-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM O=C(NCCCOc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738074308 599030147 /nfs/dbraw/zinc/03/01/47/599030147.db2.gz ANKHKGBLNLENQM-UHFFFAOYSA-N -1 1 375.392 2.009 20 0 GEADMM O=C(NCCCOc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738074308 599030150 /nfs/dbraw/zinc/03/01/50/599030150.db2.gz ANKHKGBLNLENQM-UHFFFAOYSA-N -1 1 375.392 2.009 20 0 GEADMM O=C(c1cc2occc2s1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738253652 599050295 /nfs/dbraw/zinc/05/02/95/599050295.db2.gz FLCQFNFRJNEZPC-UHFFFAOYSA-N -1 1 381.421 2.032 20 0 GEADMM O=C(c1cc2occc2s1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738253652 599050298 /nfs/dbraw/zinc/05/02/98/599050298.db2.gz FLCQFNFRJNEZPC-UHFFFAOYSA-N -1 1 381.421 2.032 20 0 GEADMM C[C@@H]1CCC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736244662 599100117 /nfs/dbraw/zinc/10/01/17/599100117.db2.gz LQQQFLJCPLHFRS-TZMCWYRMSA-N -1 1 385.472 2.207 20 0 GEADMM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000737089598 599106796 /nfs/dbraw/zinc/10/67/96/599106796.db2.gz YKHXRQMIJKWQPE-OAHLLOKOSA-N -1 1 378.436 2.365 20 0 GEADMM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000737089598 599106797 /nfs/dbraw/zinc/10/67/97/599106797.db2.gz YKHXRQMIJKWQPE-OAHLLOKOSA-N -1 1 378.436 2.365 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCCN1c1ccccc1 ZINC000738298060 599117631 /nfs/dbraw/zinc/11/76/31/599117631.db2.gz VSLJDGXHJWIXFV-KRWDZBQOSA-N -1 1 385.431 2.444 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCCN1c1ccccc1 ZINC000738298060 599117634 /nfs/dbraw/zinc/11/76/34/599117634.db2.gz VSLJDGXHJWIXFV-KRWDZBQOSA-N -1 1 385.431 2.444 20 0 GEADMM Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737388718 599133147 /nfs/dbraw/zinc/13/31/47/599133147.db2.gz DJMHWOBSGLMOKK-UHFFFAOYSA-N -1 1 380.408 2.454 20 0 GEADMM Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737388718 599133148 /nfs/dbraw/zinc/13/31/48/599133148.db2.gz DJMHWOBSGLMOKK-UHFFFAOYSA-N -1 1 380.408 2.454 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1c(Cl)cccc1Cl ZINC000737908046 599136816 /nfs/dbraw/zinc/13/68/16/599136816.db2.gz HEDPTDXACNBQFM-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1c(Cl)cccc1Cl ZINC000737908046 599136818 /nfs/dbraw/zinc/13/68/18/599136818.db2.gz HEDPTDXACNBQFM-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Br)c1 ZINC000737907532 599141690 /nfs/dbraw/zinc/14/16/90/599141690.db2.gz DMCATQPORCGKGO-UHFFFAOYSA-N -1 1 388.181 2.064 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Br)c1 ZINC000737907532 599141692 /nfs/dbraw/zinc/14/16/92/599141692.db2.gz DMCATQPORCGKGO-UHFFFAOYSA-N -1 1 388.181 2.064 20 0 GEADMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000819928250 599205270 /nfs/dbraw/zinc/20/52/70/599205270.db2.gz MALYNUQAIIAMSK-UHFFFAOYSA-N -1 1 380.408 2.398 20 0 GEADMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000819928250 599205271 /nfs/dbraw/zinc/20/52/71/599205271.db2.gz MALYNUQAIIAMSK-UHFFFAOYSA-N -1 1 380.408 2.398 20 0 GEADMM C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)C(N)=O ZINC000736163601 599215751 /nfs/dbraw/zinc/21/57/51/599215751.db2.gz PYEOIKGOFBZQNA-VIFPVBQESA-N -1 1 387.783 2.343 20 0 GEADMM O=C([O-])[C@H]1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)C1 ZINC000263533170 596902377 /nfs/dbraw/zinc/90/23/77/596902377.db2.gz XSZRDKRZDQZEFY-JTQLQIEISA-N -1 1 383.376 2.072 20 0 GEADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736405783 599235421 /nfs/dbraw/zinc/23/54/21/599235421.db2.gz HRAGSSBLXWXOGE-LLVKDONJSA-N -1 1 389.412 2.372 20 0 GEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000533202804 597080004 /nfs/dbraw/zinc/08/00/04/597080004.db2.gz LSBLZCPPHMGNNY-LBPRGKRZSA-N -1 1 377.832 2.046 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000738624211 597200313 /nfs/dbraw/zinc/20/03/13/597200313.db2.gz NKMZAWPYEFNFFD-UHFFFAOYSA-N -1 1 375.469 2.280 20 0 GEADMM CCOc1cc(CN2CCC[C@H](CC(=O)[O-])C2)nc2nc(C(F)(F)F)nn21 ZINC000818236450 597254877 /nfs/dbraw/zinc/25/48/77/597254877.db2.gz FTZCVISZKBSIJZ-SNVBAGLBSA-N -1 1 387.362 2.229 20 0 GEADMM O=C([O-])c1ccc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000262893621 597283789 /nfs/dbraw/zinc/28/37/89/597283789.db2.gz CGBQEFHLCJVEAZ-UHFFFAOYSA-N -1 1 375.469 2.219 20 0 GEADMM O=C([O-])c1ccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000563278422 597338821 /nfs/dbraw/zinc/33/88/21/597338821.db2.gz RVKLZDUVTHDPTL-UHFFFAOYSA-N -1 1 380.491 2.389 20 0 GEADMM CC[C@@]1(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)CCC(=O)NC1=O ZINC000820967653 607311618 /nfs/dbraw/zinc/31/16/18/607311618.db2.gz SBBMLOQCTGNXAN-IBGZPJMESA-N -1 1 380.408 2.156 20 0 GEADMM CC[C@@]1(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)CCC(=O)NC1=O ZINC000820967653 607311619 /nfs/dbraw/zinc/31/16/19/607311619.db2.gz SBBMLOQCTGNXAN-IBGZPJMESA-N -1 1 380.408 2.156 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)N1CCCC[C@H]1CCO ZINC000823493380 607312889 /nfs/dbraw/zinc/31/28/89/607312889.db2.gz MTYVOZLFQDLXSD-INIZCTEOSA-N -1 1 396.451 2.449 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)N1CCCC[C@H]1CCO ZINC000823493380 607312890 /nfs/dbraw/zinc/31/28/90/607312890.db2.gz MTYVOZLFQDLXSD-INIZCTEOSA-N -1 1 396.451 2.449 20 0 GEADMM C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000737719935 597494255 /nfs/dbraw/zinc/49/42/55/597494255.db2.gz XOOVIHJYVQIGRM-VIFPVBQESA-N -1 1 385.344 2.396 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000823583735 607328434 /nfs/dbraw/zinc/32/84/34/607328434.db2.gz ZWYSMIWAUHUHPP-UHFFFAOYSA-N -1 1 399.411 2.051 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000823601081 607332360 /nfs/dbraw/zinc/33/23/60/607332360.db2.gz QAOQCTVXFUJPRN-UHFFFAOYSA-N -1 1 395.366 2.302 20 0 GEADMM CCC1(C)CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000736394174 598231291 /nfs/dbraw/zinc/23/12/91/598231291.db2.gz AVYIYXZNCDWIFT-UHFFFAOYSA-N -1 1 396.499 2.498 20 0 GEADMM CCC1(C)CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000736394174 598231292 /nfs/dbraw/zinc/23/12/92/598231292.db2.gz AVYIYXZNCDWIFT-UHFFFAOYSA-N -1 1 396.499 2.498 20 0 GEADMM COc1cccc(N2C[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)CC2=O)c1 ZINC000737140100 598248120 /nfs/dbraw/zinc/24/81/20/598248120.db2.gz OYIUSICTISCIIU-QMMMGPOBSA-N -1 1 391.844 2.203 20 0 GEADMM COc1cccc(N2C[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)CC2=O)c1 ZINC000737140100 598248121 /nfs/dbraw/zinc/24/81/21/598248121.db2.gz OYIUSICTISCIIU-QMMMGPOBSA-N -1 1 391.844 2.203 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc2ccccc21 ZINC000736129649 598260401 /nfs/dbraw/zinc/26/04/01/598260401.db2.gz HVQSIVPQDQYAMI-GFCCVEGCSA-N -1 1 380.433 2.454 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc2ccccc21 ZINC000736129649 598260403 /nfs/dbraw/zinc/26/04/03/598260403.db2.gz HVQSIVPQDQYAMI-GFCCVEGCSA-N -1 1 380.433 2.454 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736132738 598260798 /nfs/dbraw/zinc/26/07/98/598260798.db2.gz WRIKBIDIFFGDHW-SECBINFHSA-N -1 1 398.370 2.320 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736132738 598260799 /nfs/dbraw/zinc/26/07/99/598260799.db2.gz WRIKBIDIFFGDHW-SECBINFHSA-N -1 1 398.370 2.320 20 0 GEADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597891 598268076 /nfs/dbraw/zinc/26/80/76/598268076.db2.gz TXSZPOSTQVFEKT-OCCSQVGLSA-N -1 1 378.502 2.393 20 0 GEADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597891 598268077 /nfs/dbraw/zinc/26/80/77/598268077.db2.gz TXSZPOSTQVFEKT-OCCSQVGLSA-N -1 1 378.502 2.393 20 0 GEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737328229 598268928 /nfs/dbraw/zinc/26/89/28/598268928.db2.gz AOHSQOUXTNKLIA-KRWDZBQOSA-N -1 1 384.465 2.404 20 0 GEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737328229 598268930 /nfs/dbraw/zinc/26/89/30/598268930.db2.gz AOHSQOUXTNKLIA-KRWDZBQOSA-N -1 1 384.465 2.404 20 0 GEADMM CC(C)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735830441 598270000 /nfs/dbraw/zinc/27/00/00/598270000.db2.gz FPBGNDJQSUFCCI-UHFFFAOYSA-N -1 1 390.444 2.248 20 0 GEADMM CC(C)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735830441 598270001 /nfs/dbraw/zinc/27/00/01/598270001.db2.gz FPBGNDJQSUFCCI-UHFFFAOYSA-N -1 1 390.444 2.248 20 0 GEADMM CCCCc1c(C)nc2nc(Sc3nccnc3-c3nn[n-]n3)nn2c1C ZINC000736464194 598346809 /nfs/dbraw/zinc/34/68/09/598346809.db2.gz VWJDWMFPSFAIBS-UHFFFAOYSA-N -1 1 382.457 2.205 20 0 GEADMM CCc1nn(Cc2csc(-c3ccco3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706388 598377901 /nfs/dbraw/zinc/37/79/01/598377901.db2.gz KLMBITZIXQGWJF-UHFFFAOYSA-N -1 1 383.437 2.313 20 0 GEADMM Fc1cccc(-c2noc([C@H]3CCCN(c4cnc(-c5nnn[n-]5)cn4)C3)n2)c1 ZINC000737664078 598387021 /nfs/dbraw/zinc/38/70/21/598387021.db2.gz BECBHYNPNAQXMA-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1cccc(-c2noc([C@H]3CCCN(c4cnc(-c5nn[n-]n5)cn4)C3)n2)c1 ZINC000737664078 598387023 /nfs/dbraw/zinc/38/70/23/598387023.db2.gz BECBHYNPNAQXMA-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM CCN(CC(=O)NC)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736510716 598408801 /nfs/dbraw/zinc/40/88/01/598408801.db2.gz HFXCTZHKNQJUAW-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM CCN(CC(=O)NC)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736510716 598408802 /nfs/dbraw/zinc/40/88/02/598408802.db2.gz HFXCTZHKNQJUAW-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000737200368 598606419 /nfs/dbraw/zinc/60/64/19/598606419.db2.gz LRNLZADBDYPWOX-UHFFFAOYSA-N -1 1 384.444 2.077 20 0 GEADMM CC(C)(C)/C=C/C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000735592577 598625023 /nfs/dbraw/zinc/62/50/23/598625023.db2.gz BNEIHOIGQTXOSV-VOTSOKGWSA-N -1 1 397.439 2.366 20 0 GEADMM Brc1ccc(N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000735367987 598672726 /nfs/dbraw/zinc/67/27/26/598672726.db2.gz DBUIDZLVYMGPOG-LLVKDONJSA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccc(N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000735367987 598672728 /nfs/dbraw/zinc/67/27/28/598672728.db2.gz DBUIDZLVYMGPOG-LLVKDONJSA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000735367988 598672926 /nfs/dbraw/zinc/67/29/26/598672926.db2.gz DBUIDZLVYMGPOG-NSHDSACASA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000735367988 598672927 /nfs/dbraw/zinc/67/29/27/598672927.db2.gz DBUIDZLVYMGPOG-NSHDSACASA-N -1 1 387.245 2.110 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000736131795 598686734 /nfs/dbraw/zinc/68/67/34/598686734.db2.gz SAYFWADYFZKITH-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737431210 598688874 /nfs/dbraw/zinc/68/88/74/598688874.db2.gz GHUFSFGRBMJNAI-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM CC(C)CCOC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735819976 598689619 /nfs/dbraw/zinc/68/96/19/598689619.db2.gz MZFWZPHBZQTGCD-UHFFFAOYSA-N -1 1 397.476 2.222 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCCc2cscn2)c1-c1nn[n-]n1 ZINC000737190199 598690275 /nfs/dbraw/zinc/69/02/75/598690275.db2.gz UMVHJNXLUNEKAJ-UHFFFAOYSA-N -1 1 387.494 2.290 20 0 GEADMM CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736558989 598691638 /nfs/dbraw/zinc/69/16/38/598691638.db2.gz RSWYWRMGTKIHKK-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737409216 598693551 /nfs/dbraw/zinc/69/35/51/598693551.db2.gz OCWMJQNQDFZZQL-OAHLLOKOSA-N -1 1 389.412 2.116 20 0 GEADMM Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737420725 598693627 /nfs/dbraw/zinc/69/36/27/598693627.db2.gz HAGSHESDRVBSNR-ZDUSSCGKSA-N -1 1 387.440 2.492 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000735500164 598694425 /nfs/dbraw/zinc/69/44/25/598694425.db2.gz YZJJGNXEKNVRRM-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1cccc(F)c1 ZINC000737860784 598720029 /nfs/dbraw/zinc/72/00/29/598720029.db2.gz VFXAPAOBDBOYSE-UHFFFAOYSA-N -1 1 378.367 2.350 20 0 GEADMM CC(=O)c1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735505757 598720777 /nfs/dbraw/zinc/72/07/77/598720777.db2.gz WKXXFAXVBSDPEF-UHFFFAOYSA-N -1 1 388.387 2.023 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2CCCO2)c2ccc(Br)cc12 ZINC000738371429 598723808 /nfs/dbraw/zinc/72/38/08/598723808.db2.gz KAZXOKIUTLPWSU-SNVBAGLBSA-N -1 1 376.214 2.123 20 0 GEADMM CCN(CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000736512510 598724586 /nfs/dbraw/zinc/72/45/86/598724586.db2.gz JYWWCCAJPUCCOM-UHFFFAOYSA-N -1 1 398.423 2.085 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000737199595 598764919 /nfs/dbraw/zinc/76/49/19/598764919.db2.gz ILGUHRXQSCEFAF-GFCCVEGCSA-N -1 1 398.471 2.172 20 0 GEADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735590389 598795194 /nfs/dbraw/zinc/79/51/94/598795194.db2.gz YGSBKZBHOFBIHM-VIFPVBQESA-N -1 1 383.909 2.355 20 0 GEADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735590389 598795195 /nfs/dbraw/zinc/79/51/95/598795195.db2.gz YGSBKZBHOFBIHM-VIFPVBQESA-N -1 1 383.909 2.355 20 0 GEADMM CCC[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736418507 598810041 /nfs/dbraw/zinc/81/00/41/598810041.db2.gz FOEUGNDYLJFGFO-LBPRGKRZSA-N -1 1 385.428 2.200 20 0 GEADMM O=C([N-]c1nnc(SCc2ccc(-c3nn[nH]n3)cc2)s1)c1cocn1 ZINC000738210732 598819334 /nfs/dbraw/zinc/81/93/34/598819334.db2.gz ULQDXMPUIUIHIB-UHFFFAOYSA-N -1 1 386.422 2.251 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOc2cc(F)ccc21 ZINC000737199213 599302028 /nfs/dbraw/zinc/30/20/28/599302028.db2.gz GBKWBWWXLXNSDJ-UHFFFAOYSA-N -1 1 398.398 2.081 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(Cc1ccncc1)C1CC1 ZINC000823600926 599337034 /nfs/dbraw/zinc/33/70/34/599337034.db2.gz MEVDNUQWTNXZNP-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821207934 599340557 /nfs/dbraw/zinc/34/05/57/599340557.db2.gz YSMMDGKEMAGQML-UHFFFAOYSA-N -1 1 383.783 2.483 20 0 GEADMM CN(CCc1ccc(F)cc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821604823 599340642 /nfs/dbraw/zinc/34/06/42/599340642.db2.gz IEHZQCGDGMZLQC-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM CN(CCc1ccc(F)cc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821604823 599340645 /nfs/dbraw/zinc/34/06/45/599340645.db2.gz IEHZQCGDGMZLQC-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000822351817 599343138 /nfs/dbraw/zinc/34/31/38/599343138.db2.gz REGZQNKIIIMNQN-ZDUSSCGKSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000822351817 599343140 /nfs/dbraw/zinc/34/31/40/599343140.db2.gz REGZQNKIIIMNQN-ZDUSSCGKSA-N -1 1 387.440 2.492 20 0 GEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737953913 599370665 /nfs/dbraw/zinc/37/06/65/599370665.db2.gz OMDUSJLYBCWAEC-UHFFFAOYSA-N -1 1 382.327 2.356 20 0 GEADMM CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821449929 599376909 /nfs/dbraw/zinc/37/69/09/599376909.db2.gz YQIFZXHGGDAPQU-GHMZBOCLSA-N -1 1 385.490 2.301 20 0 GEADMM CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821449929 599376912 /nfs/dbraw/zinc/37/69/12/599376912.db2.gz YQIFZXHGGDAPQU-GHMZBOCLSA-N -1 1 385.490 2.301 20 0 GEADMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)NC(=S)N1Cc1ccccc1Cl ZINC000823503372 599380828 /nfs/dbraw/zinc/38/08/28/599380828.db2.gz FALITFKNFAQDOZ-KPKJPENVSA-N -1 1 386.824 2.371 20 0 GEADMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)NC(=S)N1Cc1ccccc1Cl ZINC000823503372 599380830 /nfs/dbraw/zinc/38/08/30/599380830.db2.gz FALITFKNFAQDOZ-KPKJPENVSA-N -1 1 386.824 2.371 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000821977704 599445814 /nfs/dbraw/zinc/44/58/14/599445814.db2.gz JGBKODRNQVIGDE-FZMZJTMJSA-N -1 1 382.449 2.050 20 0 GEADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820864182 599494019 /nfs/dbraw/zinc/49/40/19/599494019.db2.gz XDXCFJGWSVRXGF-MGNBDDOMSA-N -1 1 390.513 2.388 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCC2(O)CCCCC2)c1-c1nn[n-]n1 ZINC000821990520 599495830 /nfs/dbraw/zinc/49/58/30/599495830.db2.gz UCGOHDAWZFQITE-UHFFFAOYSA-N -1 1 388.497 2.286 20 0 GEADMM CCC[C@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821009581 599497428 /nfs/dbraw/zinc/49/74/28/599497428.db2.gz WEDSCGOFQSTJKG-KRWDZBQOSA-N -1 1 376.486 2.142 20 0 GEADMM CC[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736403920 599594089 /nfs/dbraw/zinc/59/40/89/599594089.db2.gz ZFKVQLDBXRLDMY-JTQLQIEISA-N -1 1 375.376 2.449 20 0 GEADMM CCO[C@@H]1C[C@H](OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000736612507 599618376 /nfs/dbraw/zinc/61/83/76/599618376.db2.gz PFVRLGVKQNUDMW-KGLIPLIRSA-N -1 1 389.456 2.264 20 0 GEADMM Cc1nc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)sc1C ZINC000822444483 599626481 /nfs/dbraw/zinc/62/64/81/599626481.db2.gz SSOTUAIOQSLNJO-UHFFFAOYSA-N -1 1 388.453 2.333 20 0 GEADMM Cc1oc(NC(=O)[C@H](C)N2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822541929 599641542 /nfs/dbraw/zinc/64/15/42/599641542.db2.gz RJVVTMKWBIVOOJ-ZDUSSCGKSA-N -1 1 388.472 2.439 20 0 GEADMM CC[C@@H]1C[C@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820967210 599656029 /nfs/dbraw/zinc/65/60/29/599656029.db2.gz LNMCAINCENEHLF-SMDDNHRTSA-N -1 1 382.472 2.106 20 0 GEADMM CC[C@@H]1C[C@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820967210 599656030 /nfs/dbraw/zinc/65/60/30/599656030.db2.gz LNMCAINCENEHLF-SMDDNHRTSA-N -1 1 382.472 2.106 20 0 GEADMM CC[C@H]1C[C@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820967208 599656149 /nfs/dbraw/zinc/65/61/49/599656149.db2.gz LNMCAINCENEHLF-FZMZJTMJSA-N -1 1 382.472 2.106 20 0 GEADMM CC[C@H]1C[C@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820967208 599656150 /nfs/dbraw/zinc/65/61/50/599656150.db2.gz LNMCAINCENEHLF-FZMZJTMJSA-N -1 1 382.472 2.106 20 0 GEADMM O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823242231 599657254 /nfs/dbraw/zinc/65/72/54/599657254.db2.gz RUWGUUSETVRUGC-UHFFFAOYSA-N -1 1 380.742 2.447 20 0 GEADMM O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823242231 599657255 /nfs/dbraw/zinc/65/72/55/599657255.db2.gz RUWGUUSETVRUGC-UHFFFAOYSA-N -1 1 380.742 2.447 20 0 GEADMM COc1cccc(F)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821871514 599666364 /nfs/dbraw/zinc/66/63/64/599666364.db2.gz AEVVFDMTMNJBKZ-UHFFFAOYSA-N -1 1 389.343 2.020 20 0 GEADMM CN1CCN(c2ccc(NC(=O)CCCNC(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000737529494 599722666 /nfs/dbraw/zinc/72/26/66/599722666.db2.gz KFEKJKFMBZMTSF-UHFFFAOYSA-N -1 1 388.390 2.444 20 0 GEADMM CCc1[nH]c(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737243934 599746679 /nfs/dbraw/zinc/74/66/79/599746679.db2.gz ZYLBXVALJSKESY-SFHVURJKSA-N -1 1 398.507 2.302 20 0 GEADMM CN(C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737370489 599776091 /nfs/dbraw/zinc/77/60/91/599776091.db2.gz REMXKEDWSKEXJW-UHFFFAOYSA-N -1 1 388.392 2.009 20 0 GEADMM CCCC(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952996 599785425 /nfs/dbraw/zinc/78/54/25/599785425.db2.gz ZDZTYPZOSLBWMT-RDJZCZTQSA-N -1 1 389.496 2.018 20 0 GEADMM C[C@H](NC(=O)NCCCCC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000635507036 599792112 /nfs/dbraw/zinc/79/21/12/599792112.db2.gz IBLXMMSCSNCQOJ-AWEZNQCLSA-N -1 1 380.464 2.193 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736650750 599799517 /nfs/dbraw/zinc/79/95/17/599799517.db2.gz PICFSCMWNFQPSO-LBPRGKRZSA-N -1 1 380.404 2.038 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1cc(F)ccc1F ZINC000737575955 599814370 /nfs/dbraw/zinc/81/43/70/599814370.db2.gz CRACFWMHVDKLAP-OAHLLOKOSA-N -1 1 399.371 2.164 20 0 GEADMM O=C([O-])CCOc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000739739204 599816479 /nfs/dbraw/zinc/81/64/79/599816479.db2.gz FZTYAOWPHXNITD-UHFFFAOYSA-N -1 1 396.403 2.175 20 0 GEADMM CN1CCN(c2ncccc2CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000737529904 599825097 /nfs/dbraw/zinc/82/50/97/599825097.db2.gz MUGDTOIDEHIZHT-UHFFFAOYSA-N -1 1 397.479 2.172 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000738275329 599935631 /nfs/dbraw/zinc/93/56/31/599935631.db2.gz QJVVLCWADRJOMT-INIZCTEOSA-N -1 1 376.478 2.144 20 0 GEADMM O=C([O-])c1sc2ccccc2c1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000740280349 599959025 /nfs/dbraw/zinc/95/90/25/599959025.db2.gz KOKLWVWEVMELSG-UHFFFAOYSA-N -1 1 394.460 2.359 20 0 GEADMM CCOCCN1CCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1CC ZINC000737176294 599962420 /nfs/dbraw/zinc/96/24/20/599962420.db2.gz DQVLEUXXZIUAPW-KRWDZBQOSA-N -1 1 377.485 2.064 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1C ZINC000737687048 600023796 /nfs/dbraw/zinc/02/37/96/600023796.db2.gz BPZRLUNDAMQKQY-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000738546206 600103548 /nfs/dbraw/zinc/10/35/48/600103548.db2.gz MTUQOAHQZBTWIH-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000737687625 600105686 /nfs/dbraw/zinc/10/56/86/600105686.db2.gz DWTFMBAEHNZQDN-UHFFFAOYSA-N -1 1 392.433 2.347 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736652421 600117465 /nfs/dbraw/zinc/11/74/65/600117465.db2.gz HNRHYXYVPNFHNV-SNVBAGLBSA-N -1 1 385.351 2.262 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000274185636 600129068 /nfs/dbraw/zinc/12/90/68/600129068.db2.gz JTXORWRNLZWGBW-BZUAXINKSA-N -1 1 375.469 2.035 20 0 GEADMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1O ZINC000436826821 600177212 /nfs/dbraw/zinc/17/72/12/600177212.db2.gz RAPWPNIQAOWCKV-UHFFFAOYSA-N -1 1 376.390 2.018 20 0 GEADMM CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737323673 600196644 /nfs/dbraw/zinc/19/66/44/600196644.db2.gz GSUZFCHHSQWUEI-QGZVFWFLSA-N -1 1 397.456 2.360 20 0 GEADMM Cc1c(NC(=O)C(=O)NCc2ccc(F)c(CN(C)C)c2)cccc1C(=O)[O-] ZINC000738299933 600200485 /nfs/dbraw/zinc/20/04/85/600200485.db2.gz RAONEYDYNRXWHV-UHFFFAOYSA-N -1 1 387.411 2.149 20 0 GEADMM O=C([O-])[C@H]1CCCN1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000263574947 600229654 /nfs/dbraw/zinc/22/96/54/600229654.db2.gz OFCOXIZZODJHDG-IAGOWNOFSA-N -1 1 379.888 2.142 20 0 GEADMM Cc1[nH]nc(S(=O)(=O)Nc2ccc(Br)cc2F)c1C(=O)[O-] ZINC000738829124 600229864 /nfs/dbraw/zinc/22/98/64/600229864.db2.gz KRSVZQDSOGINEE-UHFFFAOYSA-N -1 1 378.179 2.119 20 0 GEADMM CC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736123088 600233341 /nfs/dbraw/zinc/23/33/41/600233341.db2.gz CKLYJNNSIRXAKQ-UHFFFAOYSA-N -1 1 384.360 2.447 20 0 GEADMM C[C@H](CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390531150 600234066 /nfs/dbraw/zinc/23/40/66/600234066.db2.gz IPUGXRIZKVEXHF-OAHLLOKOSA-N -1 1 376.478 2.325 20 0 GEADMM O=C([O-])CCCc1nc(CSc2nc(O)cc(=O)n2C2CCCC2)no1 ZINC000739703186 600282516 /nfs/dbraw/zinc/28/25/16/600282516.db2.gz VFHRXACKJSFSJK-UHFFFAOYSA-N -1 1 380.426 2.147 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N1CCN(C)CC1 ZINC000736352376 600284654 /nfs/dbraw/zinc/28/46/54/600284654.db2.gz JXQQOYUHEDBSJA-MRXNPFEDSA-N -1 1 382.892 2.432 20 0 GEADMM CCOC[C@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000737161306 600286216 /nfs/dbraw/zinc/28/62/16/600286216.db2.gz GXHVFWURPYWMAC-KXBFYZLASA-N -1 1 387.480 2.028 20 0 GEADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737360317 600298917 /nfs/dbraw/zinc/29/89/17/600298917.db2.gz LOFBPKCLDCCWRC-MRXNPFEDSA-N -1 1 389.839 2.396 20 0 GEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737712910 600300938 /nfs/dbraw/zinc/30/09/38/600300938.db2.gz PNETWJJHKDGWDM-UHFFFAOYSA-N -1 1 378.406 2.384 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736218832 600306103 /nfs/dbraw/zinc/30/61/03/600306103.db2.gz TXZQKWGCBJGPQO-YOEHRIQHSA-N -1 1 385.464 2.327 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723469 600312524 /nfs/dbraw/zinc/31/25/24/600312524.db2.gz GHQAXRDAPBKGSK-CJNGLKHVSA-N -1 1 399.422 2.414 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000737360773 600313322 /nfs/dbraw/zinc/31/33/22/600313322.db2.gz JBOPZDIFZMFJLE-INIZCTEOSA-N -1 1 391.374 2.021 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000737360921 600313341 /nfs/dbraw/zinc/31/33/41/600313341.db2.gz LITIIRWYKUPHTC-MRXNPFEDSA-N -1 1 391.374 2.021 20 0 GEADMM CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737385337 600348866 /nfs/dbraw/zinc/34/88/66/600348866.db2.gz ALHXIKNTTBSQAT-GFCCVEGCSA-N -1 1 380.491 2.457 20 0 GEADMM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1)C(=O)[O-] ZINC000736572742 600365670 /nfs/dbraw/zinc/36/56/70/600365670.db2.gz QINCRUMVFZJWPI-KBPBESRZSA-N -1 1 387.436 2.189 20 0 GEADMM CCOC(=O)c1sc2[nH]c([C@@H](C)N(C)C[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737157695 600370512 /nfs/dbraw/zinc/37/05/12/600370512.db2.gz VHYDPYBSSPENIZ-WCBMZHEXSA-N -1 1 381.454 2.183 20 0 GEADMM 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ZINC000827375270 601103773 /nfs/dbraw/zinc/10/37/73/601103773.db2.gz SHVUZXYKJDYOFK-LBPRGKRZSA-N -1 1 376.844 2.351 20 0 GEADMM COc1ccccc1Nc1ncccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832628994 601106531 /nfs/dbraw/zinc/10/65/31/601106531.db2.gz ZWXBRTDVXNFHDX-OAHLLOKOSA-N -1 1 398.463 2.455 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000827368569 601127467 /nfs/dbraw/zinc/12/74/67/601127467.db2.gz GRYPKORUVRPYKI-MAUKXSAKSA-N -1 1 391.468 2.257 20 0 GEADMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832942153 601128522 /nfs/dbraw/zinc/12/85/22/601128522.db2.gz TYLBLUSUJAWJCF-AWEZNQCLSA-N -1 1 388.468 2.356 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 ZINC000827368972 601128803 /nfs/dbraw/zinc/12/88/03/601128803.db2.gz LDVNIENVHPESKF-ZDUSSCGKSA-N -1 1 375.404 2.024 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000827369312 601129388 /nfs/dbraw/zinc/12/93/88/601129388.db2.gz UPNLYUISUVJNSD-QAPCUYQASA-N -1 1 391.468 2.257 20 0 GEADMM COC(=O)c1cc2cc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)ccc2o1 ZINC000831353399 601129701 /nfs/dbraw/zinc/12/97/01/601129701.db2.gz JGYFIWJUKQUEAV-GFCCVEGCSA-N -1 1 389.408 2.232 20 0 GEADMM COC(=O)c1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000831410973 601134125 /nfs/dbraw/zinc/13/41/25/601134125.db2.gz RAMKRZBNJBSIPU-NSHDSACASA-N -1 1 383.832 2.139 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000832913911 601162486 /nfs/dbraw/zinc/16/24/86/601162486.db2.gz NPTLZZKARQJWCH-UHFFFAOYSA-N -1 1 375.469 2.212 20 0 GEADMM Cc1nc([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])cc3OC(F)F)CCO2)n[nH]1 ZINC000832992160 601198237 /nfs/dbraw/zinc/19/82/37/601198237.db2.gz ZMODDJHGGBESQH-LBPRGKRZSA-N -1 1 397.338 2.018 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCN1Cc1ccccc1 ZINC000379615239 601227118 /nfs/dbraw/zinc/22/71/18/601227118.db2.gz JPNAKLFLUFLHHH-UKRRQHHQSA-N -1 1 378.450 2.309 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCN1Cc1ccccc1 ZINC000379635677 601227559 /nfs/dbraw/zinc/22/75/59/601227559.db2.gz QXIXYAHKGKVRDP-ZBFHGGJFSA-N -1 1 391.493 2.055 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000379619554 601227617 /nfs/dbraw/zinc/22/76/17/601227617.db2.gz QMOPIBFHQCTPCC-UKRRQHHQSA-N -1 1 377.466 2.044 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)c3ccnc(C(=O)[O-])c3)CC2)c1 ZINC000832970524 601243743 /nfs/dbraw/zinc/24/37/43/601243743.db2.gz AWEATWOYHYOBFZ-UHFFFAOYSA-N -1 1 382.464 2.030 20 0 GEADMM O=C([O-])c1sc2ccccc2c1S(=O)(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000833347519 601262411 /nfs/dbraw/zinc/26/24/11/601262411.db2.gz JGFRSFKJQVEIJB-UHFFFAOYSA-N -1 1 392.462 2.286 20 0 GEADMM CCC1CCC(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)(C(=O)[O-])CC1 ZINC000829080708 601294954 /nfs/dbraw/zinc/29/49/54/601294954.db2.gz GVEQTTTXFCCDEK-CIQOGTPDSA-N -1 1 386.452 2.221 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000013093421 601318622 /nfs/dbraw/zinc/31/86/22/601318622.db2.gz LSSMZENXIKABAG-UHFFFAOYSA-N -1 1 390.417 2.103 20 0 GEADMM C[C@@H](Sc1ccccc1C(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC000827915661 601331142 /nfs/dbraw/zinc/33/11/42/601331142.db2.gz PRVBFBPPVYEVBD-HUUCEWRRSA-N -1 1 378.494 2.046 20 0 GEADMM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000829160407 601337636 /nfs/dbraw/zinc/33/76/36/601337636.db2.gz IJGCJBOIANILJH-OLZOCXBDSA-N -1 1 381.502 2.426 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Br)n2)ccc1F ZINC000738679456 601359980 /nfs/dbraw/zinc/35/99/80/601359980.db2.gz VUSPCSYCVMOWBZ-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccc(Cl)cc1 ZINC000831079311 601387706 /nfs/dbraw/zinc/38/77/06/601387706.db2.gz UIKWRJQHTUMCMS-ZDUSSCGKSA-N -1 1 387.797 2.132 20 0 GEADMM CCOc1cc(CN2CCCC[C@@H]2CC(=O)[O-])nc2nc(C(F)(F)F)nn21 ZINC000652463836 601389754 /nfs/dbraw/zinc/38/97/54/601389754.db2.gz XLENIOLXAMOTPO-LLVKDONJSA-N -1 1 387.362 2.371 20 0 GEADMM O=C([O-])C1(CNC(=O)NCCCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000833138361 601413107 /nfs/dbraw/zinc/41/31/07/601413107.db2.gz TWIUOJISANUDBN-UHFFFAOYSA-N -1 1 388.512 2.143 20 0 GEADMM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000833268531 601467864 /nfs/dbraw/zinc/46/78/64/601467864.db2.gz OFFJQTIPEPFTNK-GOSISDBHSA-N -1 1 395.459 2.033 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000833359292 601485302 /nfs/dbraw/zinc/48/53/02/601485302.db2.gz WUSFRSSUYQXPME-UHFFFAOYSA-N -1 1 381.797 2.119 20 0 GEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000531780768 601489378 /nfs/dbraw/zinc/48/93/78/601489378.db2.gz LJTRKHXXAISYRK-UHFFFAOYSA-N -1 1 385.369 2.107 20 0 GEADMM CCC1CCC(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)(C(=O)[O-])CC1 ZINC000829107516 601494435 /nfs/dbraw/zinc/49/44/35/601494435.db2.gz MVDGTTVTFHVJCY-UHFFFAOYSA-N -1 1 375.469 2.340 20 0 GEADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000826404609 607514113 /nfs/dbraw/zinc/51/41/13/607514113.db2.gz GMPGBLGMTHUASO-OAHLLOKOSA-N -1 1 380.383 2.278 20 0 GEADMM O=C(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000826404609 607514115 /nfs/dbraw/zinc/51/41/15/607514115.db2.gz GMPGBLGMTHUASO-OAHLLOKOSA-N -1 1 380.383 2.278 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CN1C1CC1 ZINC000828167586 601569338 /nfs/dbraw/zinc/56/93/38/601569338.db2.gz JIJGRRHKIATEHA-GHMZBOCLSA-N -1 1 391.493 2.005 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCCCC1 ZINC000826611632 601570334 /nfs/dbraw/zinc/57/03/34/601570334.db2.gz LHDQOPQJKLOTIB-UHFFFAOYSA-N -1 1 376.425 2.206 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCCC[C@@H]1C ZINC000828257634 601570727 /nfs/dbraw/zinc/57/07/27/601570727.db2.gz GZMSNLQSSHBPGO-QWRGUYRKSA-N -1 1 376.425 2.204 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCCC[C@H]1C ZINC000828257632 601570801 /nfs/dbraw/zinc/57/08/01/601570801.db2.gz GZMSNLQSSHBPGO-GHMZBOCLSA-N -1 1 376.425 2.204 20 0 GEADMM COc1ccc(Br)cc1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC000832152909 601602845 /nfs/dbraw/zinc/60/28/45/601602845.db2.gz QGINQCMZSNSMFG-UHFFFAOYSA-N -1 1 393.240 2.413 20 0 GEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000826032150 601608749 /nfs/dbraw/zinc/60/87/49/601608749.db2.gz ZLAOPPRKBQLAKR-SCLBCKFNSA-N -1 1 394.431 2.261 20 0 GEADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000826004285 607518758 /nfs/dbraw/zinc/51/87/58/607518758.db2.gz QQLSQSCFKGDEAW-ZDUSSCGKSA-N -1 1 391.357 2.014 20 0 GEADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000826004285 607518760 /nfs/dbraw/zinc/51/87/60/607518760.db2.gz QQLSQSCFKGDEAW-ZDUSSCGKSA-N -1 1 391.357 2.014 20 0 GEADMM C[C@H]1CN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C[C@H]1C(=O)[O-] ZINC000828457122 601650058 /nfs/dbraw/zinc/65/00/58/601650058.db2.gz RNNHRNXAHKZNAW-WFXMFSGNSA-N -1 1 389.496 2.158 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)NCC(C)(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000828457125 601667369 /nfs/dbraw/zinc/66/73/69/601667369.db2.gz RRALQVJVFGABMP-GJZGRUSLSA-N -1 1 377.485 2.206 20 0 GEADMM O=C([O-])[C@@]1(NC(=O)[C@H]2CSCCS2)CCCN(Cc2ccccc2)C1 ZINC000833128970 601741309 /nfs/dbraw/zinc/74/13/09/601741309.db2.gz QACGMFJDAAGIIP-CRAIPNDOSA-N -1 1 380.535 2.071 20 0 GEADMM O=C([O-])C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000833217624 601764168 /nfs/dbraw/zinc/76/41/68/601764168.db2.gz QCDJTMYEWMRPAT-QGZVFWFLSA-N -1 1 395.887 2.190 20 0 GEADMM O=C([O-])C[C@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CCO1 ZINC000833218658 601765813 /nfs/dbraw/zinc/76/58/13/601765813.db2.gz ZIFLJZSEFNIYPC-IRXDYDNUSA-N -1 1 395.887 2.362 20 0 GEADMM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1C ZINC000829878136 601783170 /nfs/dbraw/zinc/78/31/70/601783170.db2.gz JLIRNMOZKMTKDL-TWGQIWQCSA-N -1 1 378.406 2.100 20 0 GEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000829571743 601792706 /nfs/dbraw/zinc/79/27/06/601792706.db2.gz VFOACDGJMRENMI-HNNXBMFYSA-N -1 1 387.440 2.380 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CCO2)n1 ZINC000829571743 601792707 /nfs/dbraw/zinc/79/27/07/601792707.db2.gz VFOACDGJMRENMI-HNNXBMFYSA-N -1 1 387.440 2.380 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000830049976 601796574 /nfs/dbraw/zinc/79/65/74/601796574.db2.gz UGGXMFKQGDKOJN-GDBMZVCRSA-N -1 1 390.484 2.022 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000830049978 601796703 /nfs/dbraw/zinc/79/67/03/601796703.db2.gz UGGXMFKQGDKOJN-GOEBONIOSA-N -1 1 390.484 2.022 20 0 GEADMM C[C@@H]1CN(CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448807 601815234 /nfs/dbraw/zinc/81/52/34/601815234.db2.gz GXYMXFLDFNVVBP-PYXVISIKSA-N -1 1 385.464 2.245 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CCC(CCC(=O)[O-])CC3)n2)cc1 ZINC000659399828 601828132 /nfs/dbraw/zinc/82/81/32/601828132.db2.gz YDSYPKUGIPGIEP-UHFFFAOYSA-N -1 1 387.440 2.267 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)N3CCC(CCC(=O)[O-])CC3)n[nH]2)cc1 ZINC000659399828 601828133 /nfs/dbraw/zinc/82/81/33/601828133.db2.gz YDSYPKUGIPGIEP-UHFFFAOYSA-N -1 1 387.440 2.267 20 0 GEADMM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccsc1C(=O)[O-] ZINC000830781160 601829082 /nfs/dbraw/zinc/82/90/82/601829082.db2.gz MEIOWDGZTYQNQQ-UHFFFAOYSA-N -1 1 383.514 2.431 20 0 GEADMM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1C ZINC000753078686 601830041 /nfs/dbraw/zinc/83/00/41/601830041.db2.gz KPQHHPAFHBMLSO-UHFFFAOYSA-N -1 1 386.813 2.354 20 0 GEADMM O=C([O-])c1cc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000833297785 601831808 /nfs/dbraw/zinc/83/18/08/601831808.db2.gz NNLMSPUONBVBKT-UHFFFAOYSA-N -1 1 377.466 2.177 20 0 GEADMM NC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1F ZINC000109417620 601834253 /nfs/dbraw/zinc/83/42/53/601834253.db2.gz RUDAEDFNOYDNMT-UHFFFAOYSA-N -1 1 390.751 2.216 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)NCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000666513761 601848498 /nfs/dbraw/zinc/84/84/98/601848498.db2.gz SAAXLQRUHDXCOI-UHFFFAOYSA-N -1 1 396.491 2.002 20 0 GEADMM CN(C[C@H]1CCCN(CC(=O)NCCc2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739637079 601853657 /nfs/dbraw/zinc/85/36/57/601853657.db2.gz NWZKGBODRHXXOW-CQSZACIVSA-N -1 1 390.509 2.277 20 0 GEADMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000504666569 601859380 /nfs/dbraw/zinc/85/93/80/601859380.db2.gz WBCWPIDRFFQOLB-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000740399883 601867364 /nfs/dbraw/zinc/86/73/64/601867364.db2.gz NUISVIRFWJOEDN-QRQLOZEOSA-N -1 1 386.496 2.473 20 0 GEADMM Cc1cccc(-n2ccnc2S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000826295350 607530830 /nfs/dbraw/zinc/53/08/30/607530830.db2.gz DDWRLFSASPHSMB-UHFFFAOYSA-N -1 1 395.448 2.038 20 0 GEADMM Cc1cccc(-n2ccnc2S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000826295350 607530832 /nfs/dbraw/zinc/53/08/32/607530832.db2.gz DDWRLFSASPHSMB-UHFFFAOYSA-N -1 1 395.448 2.038 20 0 GEADMM Cc1cc(CNCc2ccc3c(c2)CCS3(=O)=O)cc(C)c1OCC(=O)[O-] ZINC000832885507 601870259 /nfs/dbraw/zinc/87/02/59/601870259.db2.gz OIYBBGCUDBNXMG-UHFFFAOYSA-N -1 1 389.473 2.386 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000828029082 601890847 /nfs/dbraw/zinc/89/08/47/601890847.db2.gz PIGOTEJDEHEMSB-SJORKVTESA-N -1 1 383.807 2.000 20 0 GEADMM CN(CCN1C(=O)c2ccccc2C1=O)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830781330 601899636 /nfs/dbraw/zinc/89/96/36/601899636.db2.gz WXOZEIQMPGEWRI-MRXNPFEDSA-N -1 1 392.333 2.458 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826303884 607534208 /nfs/dbraw/zinc/53/42/08/607534208.db2.gz KNYXIYVBLQJZHG-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1-c1nn[nH]n1 ZINC000826303781 607534364 /nfs/dbraw/zinc/53/43/64/607534364.db2.gz FDURRRNMKUFYBZ-UHFFFAOYSA-N -1 1 381.421 2.162 20 0 GEADMM CCOC(=O)c1ccccc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739478157 601933728 /nfs/dbraw/zinc/93/37/28/601933728.db2.gz KZDDDCZOOHGVIM-UHFFFAOYSA-N -1 1 389.452 2.409 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC000828024157 601943918 /nfs/dbraw/zinc/94/39/18/601943918.db2.gz JDJUFQBWEGNRFH-QFIPXVFZSA-N -1 1 395.459 2.352 20 0 GEADMM C[C@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000738951480 601949844 /nfs/dbraw/zinc/94/98/44/601949844.db2.gz IUCIRRPNECPQJP-AWEZNQCLSA-N -1 1 392.475 2.335 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000831930499 601956981 /nfs/dbraw/zinc/95/69/81/601956981.db2.gz ZMBBUHQMIUMNBD-SDDRHHMPSA-N -1 1 390.527 2.100 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000580074483 601968407 /nfs/dbraw/zinc/96/84/07/601968407.db2.gz VGUDIDWQYPRITC-KBXCAEBGSA-N -1 1 381.432 2.103 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000832892293 601969640 /nfs/dbraw/zinc/96/96/40/601969640.db2.gz RTWCLFCPSOYGKT-YJBOKZPZSA-N -1 1 395.459 2.411 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398153103 601988954 /nfs/dbraw/zinc/98/89/54/601988954.db2.gz ZCQVODVMMKZZFQ-HIFRSBDPSA-N -1 1 392.452 2.465 20 0 GEADMM C[C@@H]1CCc2c(sc3ncn(Cc4ccnc(-c5nnn[n-]5)c4)c(=O)c23)C1 ZINC000824966387 607538489 /nfs/dbraw/zinc/53/84/89/607538489.db2.gz AJPKMPQWMRBWEL-SNVBAGLBSA-N -1 1 379.449 2.206 20 0 GEADMM C[C@@H]1CCc2c(sc3ncn(Cc4ccnc(-c5nn[n-]n5)c4)c(=O)c23)C1 ZINC000824966387 607538492 /nfs/dbraw/zinc/53/84/92/607538492.db2.gz AJPKMPQWMRBWEL-SNVBAGLBSA-N -1 1 379.449 2.206 20 0 GEADMM CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000825176030 607538512 /nfs/dbraw/zinc/53/85/12/607538512.db2.gz CQYRQVGDORQTSS-SFHVURJKSA-N -1 1 397.826 2.272 20 0 GEADMM CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000825176030 607538514 /nfs/dbraw/zinc/53/85/14/607538514.db2.gz CQYRQVGDORQTSS-SFHVURJKSA-N -1 1 397.826 2.272 20 0 GEADMM Cc1ccc([C@H](CNC(=O)NCC2CCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000740116561 602021137 /nfs/dbraw/zinc/02/11/37/602021137.db2.gz FIDJCRAKNCCWDD-INIZCTEOSA-N -1 1 378.473 2.414 20 0 GEADMM CN(C)C(=O)CCN1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000830547036 602051064 /nfs/dbraw/zinc/05/10/64/602051064.db2.gz CKXHSHIURZCABG-MRXNPFEDSA-N -1 1 388.295 2.215 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000739456736 602056527 /nfs/dbraw/zinc/05/65/27/602056527.db2.gz OOWJUADAPQTGNQ-UHFFFAOYSA-N -1 1 375.473 2.092 20 0 GEADMM O=C([O-])N1CCC[C@H](CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740413219 602058682 /nfs/dbraw/zinc/05/86/82/602058682.db2.gz HQIYDKSTJKBVHO-CVEARBPZSA-N -1 1 378.473 2.496 20 0 GEADMM O=C([O-])N(CCNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000740437012 602059585 /nfs/dbraw/zinc/05/95/85/602059585.db2.gz NADWFPTZZJBDKC-UHFFFAOYSA-N -1 1 378.448 2.232 20 0 GEADMM O=S(=O)(c1ccccc1)N(Cc1ccnc(-c2nnn[n-]2)c1)c1nccs1 ZINC000826496067 607543147 /nfs/dbraw/zinc/54/31/47/607543147.db2.gz JZPDXSXCDSQFHC-UHFFFAOYSA-N -1 1 399.461 2.114 20 0 GEADMM O=S(=O)(c1ccccc1)N(Cc1ccnc(-c2nn[n-]n2)c1)c1nccs1 ZINC000826496067 607543149 /nfs/dbraw/zinc/54/31/49/607543149.db2.gz JZPDXSXCDSQFHC-UHFFFAOYSA-N -1 1 399.461 2.114 20 0 GEADMM c1ccc2c(c1)OC[C@H](c1nnc(SCc3ccnc(-c4nnn[n-]4)c3)o1)O2 ZINC000826524469 607543504 /nfs/dbraw/zinc/54/35/04/607543504.db2.gz WPXPPBHSSSTOQH-CQSZACIVSA-N -1 1 395.404 2.450 20 0 GEADMM c1ccc2c(c1)OC[C@H](c1nnc(SCc3ccnc(-c4nn[n-]n4)c3)o1)O2 ZINC000826524469 607543505 /nfs/dbraw/zinc/54/35/05/607543505.db2.gz WPXPPBHSSSTOQH-CQSZACIVSA-N -1 1 395.404 2.450 20 0 GEADMM O=C([O-])NC[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740635802 602103198 /nfs/dbraw/zinc/10/31/98/602103198.db2.gz QBULSVJEXZCQNM-INIZCTEOSA-N -1 1 392.475 2.479 20 0 GEADMM C[C@@H](NS(=O)(=O)c1scc(Br)c1Br)C(=O)[O-] ZINC000261591143 602174363 /nfs/dbraw/zinc/17/43/63/602174363.db2.gz VCBAGWMTUAHSLH-GSVOUGTGSA-N -1 1 393.078 2.025 20 0 GEADMM C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000828237756 602219589 /nfs/dbraw/zinc/21/95/89/602219589.db2.gz FWGHAQQLMCFLBF-BETUJISGSA-N -1 1 397.497 2.173 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C[C@H](C)O1 ZINC000739182431 602278832 /nfs/dbraw/zinc/27/88/32/602278832.db2.gz NZRQXFFIYXDWOW-KBPBESRZSA-N -1 1 376.457 2.348 20 0 GEADMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000826039131 602323459 /nfs/dbraw/zinc/32/34/59/602323459.db2.gz NGIQZINBAPCTAA-SJKOYZFVSA-N -1 1 397.456 2.263 20 0 GEADMM CN(CC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)[O-] ZINC000737397446 602327239 /nfs/dbraw/zinc/32/72/39/602327239.db2.gz RSIFMMFYVIENRX-UHFFFAOYSA-N -1 1 376.457 2.440 20 0 GEADMM CC(C)CO[C@@H]1CCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)C1 ZINC000826895549 602342079 /nfs/dbraw/zinc/34/20/79/602342079.db2.gz PVHYFSSMKLICNP-APWZRJJASA-N -1 1 387.480 2.468 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])n2)cc1 ZINC000739880856 602364428 /nfs/dbraw/zinc/36/44/28/602364428.db2.gz YFFGIJMKXLXABU-KBMXLJTQSA-N -1 1 399.451 2.408 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])n[nH]2)cc1 ZINC000739880856 602364430 /nfs/dbraw/zinc/36/44/30/602364430.db2.gz YFFGIJMKXLXABU-KBMXLJTQSA-N -1 1 399.451 2.408 20 0 GEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738620532 602399432 /nfs/dbraw/zinc/39/94/32/602399432.db2.gz VRVSEFZDRJAIOL-CHWSQXEVSA-N -1 1 380.420 2.184 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000739030252 602443708 /nfs/dbraw/zinc/44/37/08/602443708.db2.gz YXGBOUGOERVDPE-ZDUSSCGKSA-N -1 1 383.876 2.203 20 0 GEADMM Cc1cccc(N2CCN(C(=O)CN3CCC([C@H](C)NC(=O)[O-])CC3)CC2)c1 ZINC000740167608 602448051 /nfs/dbraw/zinc/44/80/51/602448051.db2.gz BOBNKUMCAREIEP-KRWDZBQOSA-N -1 1 388.512 2.012 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)CC1 ZINC000738951062 602449568 /nfs/dbraw/zinc/44/95/68/602449568.db2.gz NYVPTGOOFBHRNG-QWHCGFSZSA-N -1 1 383.439 2.380 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N(C)CCOc2ccccc2F)CC1 ZINC000739030309 602451352 /nfs/dbraw/zinc/45/13/52/602451352.db2.gz ZTKHZWHMHYETOC-AWEZNQCLSA-N -1 1 381.448 2.031 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N(C)CCOc2ccccc2F)CC1 ZINC000739030310 602451524 /nfs/dbraw/zinc/45/15/24/602451524.db2.gz ZTKHZWHMHYETOC-CQSZACIVSA-N -1 1 381.448 2.031 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)c1OC ZINC000739948442 602451843 /nfs/dbraw/zinc/45/18/43/602451843.db2.gz XMRNCUANNOUMFU-AWEZNQCLSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000738628419 602452072 /nfs/dbraw/zinc/45/20/72/602452072.db2.gz DPPPJHVRANQRNF-HOTGVXAUSA-N -1 1 392.475 2.160 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739999635 602515941 /nfs/dbraw/zinc/51/59/41/602515941.db2.gz FBGDLBXQOGHPIT-UHFFFAOYSA-N -1 1 381.385 2.217 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738630021 602530449 /nfs/dbraw/zinc/53/04/49/602530449.db2.gz IXFBRNUMNZKUIG-LSDHHAIUSA-N -1 1 388.468 2.072 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738630119 602530520 /nfs/dbraw/zinc/53/05/20/602530520.db2.gz JMTZBOGLZIEUDS-LSDHHAIUSA-N -1 1 388.468 2.072 20 0 GEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738630113 602530662 /nfs/dbraw/zinc/53/06/62/602530662.db2.gz JMTZBOGLZIEUDS-CABCVRRESA-N -1 1 388.468 2.072 20 0 GEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739660534 602540257 /nfs/dbraw/zinc/54/02/57/602540257.db2.gz NIRVOVARCNKKHP-CQSZACIVSA-N -1 1 385.411 2.178 20 0 GEADMM CN(Cc1ccccc1Br)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739658802 602540359 /nfs/dbraw/zinc/54/03/59/602540359.db2.gz HIKDKIJKLVRHIR-CYBMUJFWSA-N -1 1 398.301 2.339 20 0 GEADMM CN(CC1CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1)C(=O)[O-] ZINC000739643034 602574349 /nfs/dbraw/zinc/57/43/49/602574349.db2.gz ZRMFEOIDQWZKJL-LJQANCHMSA-N -1 1 389.496 2.033 20 0 GEADMM CN(C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1)C(=O)[O-] ZINC000739652137 602610406 /nfs/dbraw/zinc/61/04/06/602610406.db2.gz SQZPHFBRFIPMHE-HOTGVXAUSA-N -1 1 378.473 2.448 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)C[C@H](C)O1 ZINC000739182528 602614306 /nfs/dbraw/zinc/61/43/06/602614306.db2.gz OREZYXJUUGNXML-UXLLHSPISA-N -1 1 384.521 2.001 20 0 GEADMM O=S(=O)(NCCc1ccc(F)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491611 607576275 /nfs/dbraw/zinc/57/62/75/607576275.db2.gz RSZLIAAMQZORRU-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=S(=O)(NCCc1ccc(F)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491611 607576277 /nfs/dbraw/zinc/57/62/77/607576277.db2.gz RSZLIAAMQZORRU-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000739925067 602652732 /nfs/dbraw/zinc/65/27/32/602652732.db2.gz ZXYYVIPQIOYUOJ-UHFFFAOYSA-N -1 1 391.409 2.176 20 0 GEADMM Cc1ccc(SCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826293614 607580344 /nfs/dbraw/zinc/58/03/44/607580344.db2.gz WFFYWRBOWJMVSH-UHFFFAOYSA-N -1 1 393.469 2.385 20 0 GEADMM Cc1ccc(SCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826293614 607580346 /nfs/dbraw/zinc/58/03/46/607580346.db2.gz WFFYWRBOWJMVSH-UHFFFAOYSA-N -1 1 393.469 2.385 20 0 GEADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493360 607581180 /nfs/dbraw/zinc/58/11/80/607581180.db2.gz HHDFUWCTWLIKHA-UHFFFAOYSA-N -1 1 394.796 2.059 20 0 GEADMM Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117494 602712420 /nfs/dbraw/zinc/71/24/20/602712420.db2.gz KBVIHNAZKQLQFZ-HOTGVXAUSA-N -1 1 378.473 2.414 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117498 602712511 /nfs/dbraw/zinc/71/25/11/602712511.db2.gz KBVIHNAZKQLQFZ-JKSUJKDBSA-N -1 1 378.473 2.414 20 0 GEADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000739031743 602729825 /nfs/dbraw/zinc/72/98/25/602729825.db2.gz CKLMNJYWJXCAQL-NSHDSACASA-N -1 1 375.347 2.058 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C)N1CCCC1 ZINC000739964128 602754177 /nfs/dbraw/zinc/75/41/77/602754177.db2.gz POXAXFSFZPRVFM-RDJZCZTQSA-N -1 1 390.484 2.226 20 0 GEADMM C[C@H]1CN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739184248 602771544 /nfs/dbraw/zinc/77/15/44/602771544.db2.gz WJQALKLWVFEIEC-ZFWWWQNUSA-N -1 1 389.477 2.327 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739498911 602795784 /nfs/dbraw/zinc/79/57/84/602795784.db2.gz VDJGYBCHXAXINC-DZKIICNBSA-N -1 1 393.484 2.249 20 0 GEADMM C[C@@H](CC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)NC(=O)[O-] ZINC000824645747 602881870 /nfs/dbraw/zinc/88/18/70/602881870.db2.gz BLVHIYVPABFYFN-AWEZNQCLSA-N -1 1 382.892 2.015 20 0 GEADMM Cc1ccccc1C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826306907 607592732 /nfs/dbraw/zinc/59/27/32/607592732.db2.gz PJVWVZIVPLHNRQ-GFCCVEGCSA-N -1 1 375.429 2.224 20 0 GEADMM Cc1ccccc1C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826306907 607592734 /nfs/dbraw/zinc/59/27/34/607592734.db2.gz PJVWVZIVPLHNRQ-GFCCVEGCSA-N -1 1 375.429 2.224 20 0 GEADMM O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490339 607591000 /nfs/dbraw/zinc/59/10/00/607591000.db2.gz RNVTWMZIHNOIKB-UHFFFAOYSA-N -1 1 391.403 2.155 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738149078 602962093 /nfs/dbraw/zinc/96/20/93/602962093.db2.gz IBILYSIUUDQZDB-UHFFFAOYSA-N -1 1 381.348 2.186 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H](c1ccco1)N1CCCC1)C2 ZINC000831629256 603004591 /nfs/dbraw/zinc/00/45/91/603004591.db2.gz ZGEZNGVDHPPLIN-WTXIUTQJSA-N -1 1 376.457 2.389 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826189599 607601207 /nfs/dbraw/zinc/60/12/07/607601207.db2.gz ZFSDQBQXRUWBFP-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826189599 607601208 /nfs/dbraw/zinc/60/12/08/607601208.db2.gz ZFSDQBQXRUWBFP-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000739894641 603058636 /nfs/dbraw/zinc/05/86/36/603058636.db2.gz LVKQPJKZXIMBKU-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM COc1ccc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000739894641 603058638 /nfs/dbraw/zinc/05/86/38/603058638.db2.gz LVKQPJKZXIMBKU-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739063910 603066682 /nfs/dbraw/zinc/06/66/82/603066682.db2.gz OHQYUHVEJCEOEH-HOCLYGCPSA-N -1 1 386.452 2.498 20 0 GEADMM CC(=O)c1ccc(F)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824024412 607605825 /nfs/dbraw/zinc/60/58/25/607605825.db2.gz DDKVIMGVESBJBJ-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824157830 607606134 /nfs/dbraw/zinc/60/61/34/607606134.db2.gz OEYKCAZKNOKWDT-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM COCCN(CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)C(=O)[O-] ZINC000739818715 603106033 /nfs/dbraw/zinc/10/60/33/603106033.db2.gz LNLDCZOQJFFYHG-LJQANCHMSA-N -1 1 382.420 2.395 20 0 GEADMM CN(C)[C@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1ccc(F)cc1 ZINC000739602668 603120822 /nfs/dbraw/zinc/12/08/22/603120822.db2.gz PQCGDSNZSCIKCZ-GOSISDBHSA-N -1 1 385.439 2.350 20 0 GEADMM CC(C)CN1CCO[C@H](COC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000738826855 603144445 /nfs/dbraw/zinc/14/44/45/603144445.db2.gz ZVGYDUZZTWUEGR-KRWDZBQOSA-N -1 1 393.484 2.317 20 0 GEADMM CC(C)CN1CCO[C@@H](COC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000738826856 603144452 /nfs/dbraw/zinc/14/44/52/603144452.db2.gz ZVGYDUZZTWUEGR-QGZVFWFLSA-N -1 1 393.484 2.317 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148695 607609896 /nfs/dbraw/zinc/60/98/96/607609896.db2.gz SDDSNNQBVFMZSL-LLVKDONJSA-N -1 1 382.446 2.200 20 0 GEADMM C[C@@H](NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000738952069 603178942 /nfs/dbraw/zinc/17/89/42/603178942.db2.gz SDHWQPNDUYJOLZ-LLVKDONJSA-N -1 1 393.875 2.468 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)CC1 ZINC000739455491 603183444 /nfs/dbraw/zinc/18/34/44/603183444.db2.gz IKPDAQQEBACEPP-HOTGVXAUSA-N -1 1 389.500 2.338 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740079935 603185250 /nfs/dbraw/zinc/18/52/50/603185250.db2.gz MLVHSDHLEFXGRY-QAPCUYQASA-N -1 1 389.500 2.257 20 0 GEADMM Cc1cc(S(=O)(=O)Nc2cccc(OCCNC(=O)[O-])c2)cnc1Cl ZINC000740093577 603186105 /nfs/dbraw/zinc/18/61/05/603186105.db2.gz LXXLNHAQFXLMPX-UHFFFAOYSA-N -1 1 385.829 2.491 20 0 GEADMM C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000738911547 603213883 /nfs/dbraw/zinc/21/38/83/603213883.db2.gz LWGQEFGBIDKIGM-INIZCTEOSA-N -1 1 376.501 2.140 20 0 GEADMM Cc1cccnc1[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC000826308390 607617190 /nfs/dbraw/zinc/61/71/90/607617190.db2.gz XFQMGRZUSRZJJJ-HNNXBMFYSA-N -1 1 390.444 2.385 20 0 GEADMM Cc1cccnc1[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC000826308390 607617191 /nfs/dbraw/zinc/61/71/91/607617191.db2.gz XFQMGRZUSRZJJJ-HNNXBMFYSA-N -1 1 390.444 2.385 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000830084273 603258621 /nfs/dbraw/zinc/25/86/21/603258621.db2.gz IMLZPBRDDYNWEI-MAUKXSAKSA-N -1 1 389.500 2.305 20 0 GEADMM CC(C)(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824079583 607618087 /nfs/dbraw/zinc/61/80/87/607618087.db2.gz PPSQGRXCVGEBHK-NHYWBVRUSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824079583 607618089 /nfs/dbraw/zinc/61/80/89/607618089.db2.gz PPSQGRXCVGEBHK-NHYWBVRUSA-N -1 1 397.476 2.125 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000738002462 603272381 /nfs/dbraw/zinc/27/23/81/603272381.db2.gz ATBJJCIPQLIRAE-KRWDZBQOSA-N -1 1 390.484 2.055 20 0 GEADMM CS[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826227233 607618296 /nfs/dbraw/zinc/61/82/96/607618296.db2.gz NZAGBNGAYPUIDV-ZJUUUORDSA-N -1 1 387.918 2.473 20 0 GEADMM CS[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826227233 607618297 /nfs/dbraw/zinc/61/82/97/607618297.db2.gz NZAGBNGAYPUIDV-ZJUUUORDSA-N -1 1 387.918 2.473 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000824198255 607619566 /nfs/dbraw/zinc/61/95/66/607619566.db2.gz AJCGZWIXVOFHPP-HNNXBMFYSA-N -1 1 376.417 2.076 20 0 GEADMM Cc1ccc([C@@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826283414 607621563 /nfs/dbraw/zinc/62/15/63/607621563.db2.gz QIEYNTDAJZQMTA-LBPRGKRZSA-N -1 1 375.429 2.396 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1nccs1 ZINC000825146506 607621762 /nfs/dbraw/zinc/62/17/62/607621762.db2.gz CMCXYZMSYPRYOK-VIFPVBQESA-N -1 1 384.874 2.406 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1nccs1 ZINC000825146506 607621764 /nfs/dbraw/zinc/62/17/64/607621764.db2.gz CMCXYZMSYPRYOK-VIFPVBQESA-N -1 1 384.874 2.406 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000825427777 603363787 /nfs/dbraw/zinc/36/37/87/603363787.db2.gz ZAYLEFOJNGSMRQ-YJBOKZPZSA-N -1 1 391.516 2.409 20 0 GEADMM CCN(CC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1)C(=O)[O-] ZINC000739456114 603386595 /nfs/dbraw/zinc/38/65/95/603386595.db2.gz LZWGZDPXOUMIGC-AWEZNQCLSA-N -1 1 380.464 2.145 20 0 GEADMM CN(Cc1ccc(O)cc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825965942 607625961 /nfs/dbraw/zinc/62/59/61/607625961.db2.gz INXRGWPAGWHBHS-UHFFFAOYSA-N -1 1 379.829 2.046 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000740141814 603415103 /nfs/dbraw/zinc/41/51/03/603415103.db2.gz RUNRNWKTXSPBQX-IJEWVQPXSA-N -1 1 376.457 2.318 20 0 GEADMM CCN(CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000739398357 603428020 /nfs/dbraw/zinc/42/80/20/603428020.db2.gz UZEZPBTUVQYFBX-UHFFFAOYSA-N -1 1 377.422 2.426 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)c1-c1nn[n-]n1 ZINC000826231708 607629216 /nfs/dbraw/zinc/62/92/16/607629216.db2.gz XACUQOIHLXDXIN-PWSUYJOCSA-N -1 1 388.497 2.094 20 0 GEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000830845302 603572472 /nfs/dbraw/zinc/57/24/72/603572472.db2.gz DABCZOUEMSZPST-ZDUSSCGKSA-N -1 1 376.461 2.181 20 0 GEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)n[nH]1 ZINC000830845301 603572775 /nfs/dbraw/zinc/57/27/75/603572775.db2.gz DABCZOUEMSZPST-CYBMUJFWSA-N -1 1 376.461 2.181 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN(C1CC1)C1CCCC1)C2=O ZINC000832500145 603595585 /nfs/dbraw/zinc/59/55/85/603595585.db2.gz VFTBQPMJGSXZHQ-DJJJIMSYSA-N -1 1 378.473 2.099 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CN(C1CC1)C1CCCC1)C2=O ZINC000832500147 603595668 /nfs/dbraw/zinc/59/56/68/603595668.db2.gz VFTBQPMJGSXZHQ-YJYMSZOUSA-N -1 1 378.473 2.099 20 0 GEADMM CCC(CC)(CNC(=O)Nc1ccccc1N1CCN(C)CC1)NC(=O)[O-] ZINC000826544985 603605503 /nfs/dbraw/zinc/60/55/03/603605503.db2.gz YLBOVCWDHLXLBN-UHFFFAOYSA-N -1 1 377.489 2.386 20 0 GEADMM CC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)CC1 ZINC000826674532 603605906 /nfs/dbraw/zinc/60/59/06/603605906.db2.gz AHGPBWRNZWUNNU-VCBZYWHSSA-N -1 1 380.489 2.204 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN1CCC3(C1)CCCCC3)C2=O ZINC000832498368 603606531 /nfs/dbraw/zinc/60/65/31/603606531.db2.gz HEFLRDAULFZPTL-YWZLYKJASA-N -1 1 392.500 2.349 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)NC(=O)[O-] ZINC000824091750 603607775 /nfs/dbraw/zinc/60/77/75/603607775.db2.gz JPEYKAZVNMPKHL-LBPRGKRZSA-N -1 1 378.454 2.378 20 0 GEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000824197123 603619194 /nfs/dbraw/zinc/61/91/94/603619194.db2.gz SCSJDXOUUOVKNM-KRWDZBQOSA-N -1 1 377.489 2.028 20 0 GEADMM Cc1cccc([C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826296285 607644147 /nfs/dbraw/zinc/64/41/47/607644147.db2.gz QCSIRVJWWSNUAV-GFCCVEGCSA-N -1 1 375.429 2.396 20 0 GEADMM Cc1cccc([C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826296285 607644149 /nfs/dbraw/zinc/64/41/49/607644149.db2.gz QCSIRVJWWSNUAV-GFCCVEGCSA-N -1 1 375.429 2.396 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]2CCCO[C@H]21 ZINC000824789005 607646257 /nfs/dbraw/zinc/64/62/57/607646257.db2.gz FDOBAADZUAEILD-OWYVNGRQSA-N -1 1 397.888 2.002 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]2CCCO[C@H]21 ZINC000824789005 607646259 /nfs/dbraw/zinc/64/62/59/607646259.db2.gz FDOBAADZUAEILD-OWYVNGRQSA-N -1 1 397.888 2.002 20 0 GEADMM CCN(CC1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)CC1)C(=O)[O-] ZINC000827080184 603750267 /nfs/dbraw/zinc/75/02/67/603750267.db2.gz RIURTWAHKKBRMI-UHFFFAOYSA-N -1 1 388.472 2.279 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829591106 603815423 /nfs/dbraw/zinc/81/54/23/603815423.db2.gz BAZMTCKVVWWFAG-DNVCBOLYSA-N -1 1 379.432 2.040 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@]3(F)CCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000826059639 603839103 /nfs/dbraw/zinc/83/91/03/603839103.db2.gz XYVCPVLMYRCQRB-STXHMFSFSA-N -1 1 393.459 2.004 20 0 GEADMM CCCC[C@H](CNC(=O)[O-])NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000826801281 603875485 /nfs/dbraw/zinc/87/54/85/603875485.db2.gz PSKMQPKXHNEAJW-OAHLLOKOSA-N -1 1 377.489 2.386 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1)N1CCCC1 ZINC000829597045 603888118 /nfs/dbraw/zinc/88/81/18/603888118.db2.gz DSWSZGREQXYZBR-DOTOQJQBSA-N -1 1 390.484 2.226 20 0 GEADMM CCO[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000825576841 607658709 /nfs/dbraw/zinc/65/87/09/607658709.db2.gz OMSCHXHDYIUYAD-GFCCVEGCSA-N -1 1 387.893 2.250 20 0 GEADMM CCO[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000825576841 607658711 /nfs/dbraw/zinc/65/87/11/607658711.db2.gz OMSCHXHDYIUYAD-GFCCVEGCSA-N -1 1 387.893 2.250 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3cn4ccccc4n3)cc2)n1 ZINC000832730272 603909948 /nfs/dbraw/zinc/90/99/48/603909948.db2.gz QUYAGXXCEUHOSL-UHFFFAOYSA-N -1 1 391.391 2.068 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3cn4ccccc4n3)cc2)n[nH]1 ZINC000832730272 603909953 /nfs/dbraw/zinc/90/99/53/603909953.db2.gz QUYAGXXCEUHOSL-UHFFFAOYSA-N -1 1 391.391 2.068 20 0 GEADMM O=S(=O)(NCCc1cc(F)ccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491295 607660041 /nfs/dbraw/zinc/66/00/41/607660041.db2.gz BPHPWTCFPPUIIK-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=S(=O)(NCCc1cc(F)ccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491295 607660043 /nfs/dbraw/zinc/66/00/43/607660043.db2.gz BPHPWTCFPPUIIK-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000832349385 603939813 /nfs/dbraw/zinc/93/98/13/603939813.db2.gz DDBAHWIFFFLIDV-ROUUACIJSA-N -1 1 381.517 2.164 20 0 GEADMM CCCc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)[O-])CCO2)[nH]1 ZINC000826954718 603952248 /nfs/dbraw/zinc/95/22/48/603952248.db2.gz VBFCXLMUTDXCRX-KFWWJZLASA-N -1 1 393.488 2.264 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)[O-])CCO2)n1 ZINC000826954718 603952253 /nfs/dbraw/zinc/95/22/53/603952253.db2.gz VBFCXLMUTDXCRX-KFWWJZLASA-N -1 1 393.488 2.264 20 0 GEADMM COC1(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CCN(C(=O)[O-])CC1 ZINC000828849556 603970787 /nfs/dbraw/zinc/97/07/87/603970787.db2.gz RCIVDBBIHUAUHF-QGZVFWFLSA-N -1 1 389.496 2.268 20 0 GEADMM O=S(=O)(N[C@@H]1CCCc2[nH]ccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488412 607665045 /nfs/dbraw/zinc/66/50/45/607665045.db2.gz PCHJMHZXBQKYOU-GFCCVEGCSA-N -1 1 378.845 2.204 20 0 GEADMM O=S(=O)(N[C@@H]1CCCc2[nH]ccc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488412 607665047 /nfs/dbraw/zinc/66/50/47/607665047.db2.gz PCHJMHZXBQKYOU-GFCCVEGCSA-N -1 1 378.845 2.204 20 0 GEADMM COc1cccc([C@H](CNC(=O)N(C)C2CCN(C(=O)[O-])CC2)N(C)C)c1 ZINC000829543199 604023057 /nfs/dbraw/zinc/02/30/57/604023057.db2.gz GKSTVPJHAYSBDZ-KRWDZBQOSA-N -1 1 378.473 2.082 20 0 GEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826282965 607669393 /nfs/dbraw/zinc/66/93/93/607669393.db2.gz HHGDBNKGPZSTTM-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826282965 607669394 /nfs/dbraw/zinc/66/93/94/607669394.db2.gz HHGDBNKGPZSTTM-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)CC1 ZINC000826586606 604100436 /nfs/dbraw/zinc/10/04/36/604100436.db2.gz DJJSQYVRGOHYHL-KRWDZBQOSA-N -1 1 378.473 2.107 20 0 GEADMM O=C([O-])NCCCOC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000832629072 604108542 /nfs/dbraw/zinc/10/85/42/604108542.db2.gz ACFGTDUSIKCQRL-GOSISDBHSA-N -1 1 375.469 2.321 20 0 GEADMM O=S(=O)(NC1(Cc2ccccc2)CCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487444 607672977 /nfs/dbraw/zinc/67/29/77/607672977.db2.gz OTNMONAXRQVMNZ-UHFFFAOYSA-N -1 1 387.440 2.450 20 0 GEADMM C[C@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825100376 604134747 /nfs/dbraw/zinc/13/47/47/604134747.db2.gz CVOFWQOISTVUPA-AWEZNQCLSA-N -1 1 392.475 2.335 20 0 GEADMM C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825166852 604135369 /nfs/dbraw/zinc/13/53/69/604135369.db2.gz UZSCBIWOMMGDCX-GOEBONIOSA-N -1 1 380.464 2.335 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000827187158 604145215 /nfs/dbraw/zinc/14/52/15/604145215.db2.gz RJKBZIDFCOARJA-INIZCTEOSA-N -1 1 390.484 2.373 20 0 GEADMM CN(CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000828315760 604148860 /nfs/dbraw/zinc/14/88/60/604148860.db2.gz DDSVBADJIANJTM-UHFFFAOYSA-N -1 1 388.399 2.102 20 0 GEADMM Cc1cccc(C)c1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826296558 607675315 /nfs/dbraw/zinc/67/53/15/607675315.db2.gz BBBLFFZIDJTVNB-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM Cc1cccc(C)c1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826296558 607675317 /nfs/dbraw/zinc/67/53/17/607675317.db2.gz BBBLFFZIDJTVNB-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])N1CCc2ccccc2C1 ZINC000824931255 604162264 /nfs/dbraw/zinc/16/22/64/604162264.db2.gz VKFIWXICPCLOJS-IPELMVKDSA-N -1 1 386.496 2.360 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000825265849 604177275 /nfs/dbraw/zinc/17/72/75/604177275.db2.gz UKQXFQVDLMOEHL-ZIAGYGMSSA-N -1 1 383.876 2.203 20 0 GEADMM CN(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])Cc1ccc(F)cc1 ZINC000828323843 604178107 /nfs/dbraw/zinc/17/81/07/604178107.db2.gz FUJRMDHFNUICFX-SJORKVTESA-N -1 1 378.448 2.184 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000825255981 604190047 /nfs/dbraw/zinc/19/00/47/604190047.db2.gz STLYFIMZISOQIT-MPTYRVRUSA-N -1 1 375.469 2.383 20 0 GEADMM CN(C)C1(C(=O)Nc2cccc(C(=O)OC3CCN(C(=O)[O-])CC3)c2)CCC1 ZINC000828001992 604278158 /nfs/dbraw/zinc/27/81/58/604278158.db2.gz YUFWDRDJLRIMQN-UHFFFAOYSA-N -1 1 389.452 2.409 20 0 GEADMM C[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685670 604310392 /nfs/dbraw/zinc/31/03/92/604310392.db2.gz OPYCCOFZUZXYKE-HOTGVXAUSA-N -1 1 389.500 2.188 20 0 GEADMM O=C([O-])C1(NCc2csc(-c3ccc(F)cc3)n2)CCS(=O)(=O)CC1 ZINC000833175467 604437958 /nfs/dbraw/zinc/43/79/58/604437958.db2.gz BIJQDSJJQKHPPT-UHFFFAOYSA-N -1 1 384.454 2.071 20 0 GEADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCN(CCc2ccccc2)CC1 ZINC000833701604 604472536 /nfs/dbraw/zinc/47/25/36/604472536.db2.gz LLMXSIJVSAPJAM-FQEVSTJZSA-N -1 1 382.460 2.459 20 0 GEADMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833420750 604500869 /nfs/dbraw/zinc/50/08/69/604500869.db2.gz ONRHJBLXFQWOGP-LLVKDONJSA-N -1 1 376.438 2.147 20 0 GEADMM CC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc21 ZINC000266771758 604503244 /nfs/dbraw/zinc/50/32/44/604503244.db2.gz JNZBSGHFQTUFGF-UHFFFAOYSA-N -1 1 378.406 2.386 20 0 GEADMM CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)c1ccco1 ZINC000829666920 604530551 /nfs/dbraw/zinc/53/05/51/604530551.db2.gz WNIVXFGORUHZGR-GFCCVEGCSA-N -1 1 379.438 2.177 20 0 GEADMM CC1CCC(NC(=O)CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC000833603935 604618188 /nfs/dbraw/zinc/61/81/88/604618188.db2.gz OMFKGDQZPSVZFC-FQVRHNBASA-N -1 1 387.524 2.390 20 0 GEADMM Cc1nc([C@H]2CCCN(C(=O)[C@@H](NC(=O)[O-])c3cccc(Cl)c3)C2)n[nH]1 ZINC000830732791 604643901 /nfs/dbraw/zinc/64/39/01/604643901.db2.gz DDWAHVQACXAXEH-JSGCOSHPSA-N -1 1 377.832 2.481 20 0 GEADMM O=C([O-])c1ccc(OC[C@H](O)CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000833782906 604647135 /nfs/dbraw/zinc/64/71/35/604647135.db2.gz SKKBMAPUWUYOPW-ZHALLVOQSA-N -1 1 375.396 2.072 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CCO1 ZINC000825329507 604703673 /nfs/dbraw/zinc/70/36/73/604703673.db2.gz ZKAJZDQEZZFUOG-MEBBXXQBSA-N -1 1 378.816 2.227 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826332513 607710649 /nfs/dbraw/zinc/71/06/49/607710649.db2.gz WPXFQDUAHWFPRU-HNNXBMFYSA-N -1 1 384.440 2.201 20 0 GEADMM COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000833732875 604728906 /nfs/dbraw/zinc/72/89/06/604728906.db2.gz UJUPUTKAIWFUOW-SFHVURJKSA-N -1 1 390.480 2.050 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC(CNC(=O)[O-])CC3)n2)cc1 ZINC000830160079 604795831 /nfs/dbraw/zinc/79/58/31/604795831.db2.gz MRGYQFHNNQHPON-UHFFFAOYSA-N -1 1 389.481 2.378 20 0 GEADMM O=C([O-])CC1(NCc2nnc(-c3ccc(Br)o3)o2)CCOCC1 ZINC000833205713 604796407 /nfs/dbraw/zinc/79/64/07/604796407.db2.gz LYORBEZKBNUKBK-UHFFFAOYSA-N -1 1 386.202 2.206 20 0 GEADMM CCOc1ccccc1OCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825659137 607716859 /nfs/dbraw/zinc/71/68/59/607716859.db2.gz OSGACZMNSYAYKH-UHFFFAOYSA-N -1 1 392.419 2.363 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1noc(-c2cccs2)n1 ZINC000826294961 607718601 /nfs/dbraw/zinc/71/86/01/607718601.db2.gz LDDZVDYIJYNTSV-UHFFFAOYSA-N -1 1 392.404 2.045 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)C1 ZINC000833577190 604865430 /nfs/dbraw/zinc/86/54/30/604865430.db2.gz ICNIGYICQUWCRS-XCLFUZPHSA-N -1 1 391.443 2.373 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000833415626 604879937 /nfs/dbraw/zinc/87/99/37/604879937.db2.gz PPEITHQXPMHKTK-CYBMUJFWSA-N -1 1 386.452 2.032 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)cc1Br ZINC000316880210 604888961 /nfs/dbraw/zinc/88/89/61/604888961.db2.gz PWZMGNRNHFELSI-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000833767727 604898335 /nfs/dbraw/zinc/89/83/35/604898335.db2.gz OOOFVCAPWMVFLZ-AVGNSLFASA-N -1 1 383.326 2.224 20 0 GEADMM CCc1[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(C)c1C(=O)[O-] ZINC000830191860 604917152 /nfs/dbraw/zinc/91/71/52/604917152.db2.gz KFIPCWYSINNVAF-FUHWJXTLSA-N -1 1 399.491 2.197 20 0 GEADMM O=C([O-])Nc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000833290830 604918224 /nfs/dbraw/zinc/91/82/24/604918224.db2.gz SZCJXHJEVOBPAN-MJGOQNOKSA-N -1 1 383.448 2.389 20 0 GEADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCC3(CCOC3)CC2)cc(C(=O)[O-])c1 ZINC000833713070 604932252 /nfs/dbraw/zinc/93/22/52/604932252.db2.gz MPKAXMZJGWHEAD-CYBMUJFWSA-N -1 1 390.436 2.001 20 0 GEADMM CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])n[nH]1 ZINC000833512927 605023606 /nfs/dbraw/zinc/02/36/06/605023606.db2.gz WHZLBAICSAODRO-QMMMGPOBSA-N -1 1 391.453 2.381 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccccc1Br ZINC000833627131 605048081 /nfs/dbraw/zinc/04/80/81/605048081.db2.gz UNEVZJPGSIQIAS-ZDUSSCGKSA-N -1 1 398.301 2.182 20 0 GEADMM CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833668135 605052684 /nfs/dbraw/zinc/05/26/84/605052684.db2.gz NSIYKJIHVWYQAX-FMIVXFBMSA-N -1 1 395.458 2.379 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000833621395 605056424 /nfs/dbraw/zinc/05/64/24/605056424.db2.gz BKVHHWGZUVIAJB-AWEZNQCLSA-N -1 1 383.876 2.047 20 0 GEADMM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833445455 605074105 /nfs/dbraw/zinc/07/41/05/605074105.db2.gz WKOUBAGTMHHJDZ-HNNXBMFYSA-N -1 1 388.424 2.111 20 0 GEADMM C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833546788 605076075 /nfs/dbraw/zinc/07/60/75/605076075.db2.gz WAMVIVJHVNQSOC-ZANVPECISA-N -1 1 398.282 2.465 20 0 GEADMM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000833473449 605081052 /nfs/dbraw/zinc/08/10/52/605081052.db2.gz KVKJDFHWNZZSKR-HNNXBMFYSA-N -1 1 392.843 2.473 20 0 GEADMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000016482535 605095432 /nfs/dbraw/zinc/09/54/32/605095432.db2.gz DSKIWDCAUIYRCG-UHFFFAOYSA-N -1 1 392.437 2.107 20 0 GEADMM COc1ccc(CCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(OC)c1 ZINC000833731828 605112791 /nfs/dbraw/zinc/11/27/91/605112791.db2.gz NJAOCENDBCNECI-OAHLLOKOSA-N -1 1 378.469 2.034 20 0 GEADMM CCN(Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21)C(=O)[O-] ZINC000827175864 605122826 /nfs/dbraw/zinc/12/28/26/605122826.db2.gz BDRGHOFXFBRSDY-HNNXBMFYSA-N -1 1 385.424 2.042 20 0 GEADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825205697 607736002 /nfs/dbraw/zinc/73/60/02/607736002.db2.gz WZAGWJIMCKNSPP-ZWNOBZJWSA-N -1 1 375.864 2.364 20 0 GEADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825205697 607736003 /nfs/dbraw/zinc/73/60/03/607736003.db2.gz WZAGWJIMCKNSPP-ZWNOBZJWSA-N -1 1 375.864 2.364 20 0 GEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)O1 ZINC000833583518 605135170 /nfs/dbraw/zinc/13/51/70/605135170.db2.gz ILGSYLNOXSVCDF-HZPDHXFCSA-N -1 1 380.466 2.040 20 0 GEADMM CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833737234 605137181 /nfs/dbraw/zinc/13/71/81/605137181.db2.gz SPZKSKKASXUYCK-UHFFFAOYSA-N -1 1 395.458 2.007 20 0 GEADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000833702756 605146300 /nfs/dbraw/zinc/14/63/00/605146300.db2.gz ZGUBDFJIINARRD-JKSUJKDBSA-N -1 1 384.436 2.474 20 0 GEADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833702756 605146305 /nfs/dbraw/zinc/14/63/05/605146305.db2.gz ZGUBDFJIINARRD-JKSUJKDBSA-N -1 1 384.436 2.474 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000833618711 605156876 /nfs/dbraw/zinc/15/68/76/605156876.db2.gz DXGAFQUUXXQWCR-OAHLLOKOSA-N -1 1 394.899 2.396 20 0 GEADMM CCN1C[C@@H](C)N(C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C[C@@H]1C ZINC000833657652 605164566 /nfs/dbraw/zinc/16/45/66/605164566.db2.gz NNCZMHOPKUNUBJ-VHSXEESVSA-N -1 1 383.470 2.488 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1-c1nccs1 ZINC000833742778 605206402 /nfs/dbraw/zinc/20/64/02/605206402.db2.gz VQAXNGGXQRCALL-CYBMUJFWSA-N -1 1 376.482 2.172 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1-c1nccs1 ZINC000833742779 605206490 /nfs/dbraw/zinc/20/64/90/605206490.db2.gz VQAXNGGXQRCALL-ZDUSSCGKSA-N -1 1 376.482 2.172 20 0 GEADMM C[C@@H]1C[C@H](C)CN(C(=O)CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000833587316 605220450 /nfs/dbraw/zinc/22/04/50/605220450.db2.gz BKNKXQDPMGURPS-KGVIQGDOSA-N -1 1 387.524 2.200 20 0 GEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)CN(C(=O)[O-])c2ccccc2)c1 ZINC000827488234 605242366 /nfs/dbraw/zinc/24/23/66/605242366.db2.gz IKLIDZRQFBVKHS-UHFFFAOYSA-N -1 1 378.406 2.309 20 0 GEADMM O=C([O-])N1CCC[C@@H](CNc2ccc3[nH]c(CCN4CCOCC4)nc3c2)C1 ZINC000831986406 605252562 /nfs/dbraw/zinc/25/25/62/605252562.db2.gz RBHABYGFXTUKEL-HNNXBMFYSA-N -1 1 387.484 2.240 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C)n1-c1nccs1 ZINC000833741934 605255434 /nfs/dbraw/zinc/25/54/34/605255434.db2.gz CUDPDANBPZVAND-ZDUSSCGKSA-N -1 1 376.482 2.172 20 0 GEADMM C[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1CCC(=O)[O-] ZINC000833625170 605256905 /nfs/dbraw/zinc/25/69/05/605256905.db2.gz SUEQTKKEMDMNEZ-SNVBAGLBSA-N -1 1 377.388 2.315 20 0 GEADMM C[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCN1CCC(=O)[O-] ZINC000833625168 605256920 /nfs/dbraw/zinc/25/69/20/605256920.db2.gz SUEQTKKEMDMNEZ-JTQLQIEISA-N -1 1 377.388 2.315 20 0 GEADMM COc1cc(C)cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826178238 607744146 /nfs/dbraw/zinc/74/41/46/607744146.db2.gz PFBADTPRAHCXHJ-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM COc1cc(C)cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826178238 607744147 /nfs/dbraw/zinc/74/41/47/607744147.db2.gz PFBADTPRAHCXHJ-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM C[C@H](CS(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)C(=O)[O-] ZINC000833517729 605267233 /nfs/dbraw/zinc/26/72/33/605267233.db2.gz CMJLEDWFAHNXJG-TZMCWYRMSA-N -1 1 384.502 2.082 20 0 GEADMM C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000833629129 605296543 /nfs/dbraw/zinc/29/65/43/605296543.db2.gz FKZKLBGEJFVPFS-DYESRHJHSA-N -1 1 384.476 2.390 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)CN(C(=O)[O-])c3ccccc3)n2)cc1 ZINC000829243293 605297384 /nfs/dbraw/zinc/29/73/84/605297384.db2.gz OBAASJAFFPJCTO-UHFFFAOYSA-N -1 1 381.392 2.281 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)CN(C(=O)[O-])c3ccccc3)n[nH]2)cc1 ZINC000829243293 605297387 /nfs/dbraw/zinc/29/73/87/605297387.db2.gz OBAASJAFFPJCTO-UHFFFAOYSA-N -1 1 381.392 2.281 20 0 GEADMM O=C([O-])N[C@H]1CCc2ncc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc2C1 ZINC000834195144 605331507 /nfs/dbraw/zinc/33/15/07/605331507.db2.gz ISOLHVWSAJRBNF-LBPRGKRZSA-N -1 1 378.388 2.300 20 0 GEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)O1 ZINC000833581703 605352216 /nfs/dbraw/zinc/35/22/16/605352216.db2.gz ZDUMWZRAWNVIMH-QGZVFWFLSA-N -1 1 376.428 2.050 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NCCN3CCc4ccccc4C3)C[C@@H]21 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/nfs/dbraw/zinc/45/21/03/605452103.db2.gz FIONXDZWWNEGNK-TZMCWYRMSA-N -1 1 387.461 2.337 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)CC1 ZINC000827229145 605472954 /nfs/dbraw/zinc/47/29/54/605472954.db2.gz VJLCWPBEIBZABZ-HZPDHXFCSA-N -1 1 389.500 2.481 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccsc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833594830 605477799 /nfs/dbraw/zinc/47/77/99/605477799.db2.gz AQXSXFLHXPKBHS-JSGCOSHPSA-N -1 1 387.461 2.164 20 0 GEADMM O=C([O-])Nc1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccc1F ZINC000834253038 605622474 /nfs/dbraw/zinc/62/24/74/605622474.db2.gz DOKFSACVUNYKDW-INIZCTEOSA-N -1 1 387.411 2.065 20 0 GEADMM CCC(CC)(CNC(=O)N1CCC(CCCN2CCOCC2)CC1)C(=O)[O-] ZINC000424431728 605632508 /nfs/dbraw/zinc/63/25/08/605632508.db2.gz PJRFMIPHAOIDBX-UHFFFAOYSA-N -1 1 383.533 2.411 20 0 GEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)CN3CCC(NC(=O)[O-])CC3)[nH]c2c1 ZINC000830433435 605676809 /nfs/dbraw/zinc/67/68/09/605676809.db2.gz UHMXTXUHIBHIGJ-KRWDZBQOSA-N -1 1 385.468 2.267 20 0 GEADMM COC(=O)[C@@H]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C(=O)[O-])C1 ZINC000833707229 605685938 /nfs/dbraw/zinc/68/59/38/605685938.db2.gz KJTGOWRLRIKSDZ-IVMMDQJWSA-N -1 1 380.828 2.171 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@]1(C)CCCN1C(=O)[O-] ZINC000833862152 605704397 /nfs/dbraw/zinc/70/43/97/605704397.db2.gz RLWUEZPQPYOXNH-HXUWFJFHSA-N -1 1 390.484 2.308 20 0 GEADMM CCOc1ccc(-c2nc(CONC(=N)[C@H]3COCCN3C(=O)[O-])co2)cc1 ZINC000833862146 605732140 /nfs/dbraw/zinc/73/21/40/605732140.db2.gz FCGUAWTVTDDIDE-OAHLLOKOSA-N -1 1 390.396 2.118 20 0 GEADMM O=C([O-])NC[C@@H](NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834206457 605822986 /nfs/dbraw/zinc/82/29/86/605822986.db2.gz QUVVLESATCFFCZ-HUUCEWRRSA-N -1 1 384.440 2.364 20 0 GEADMM O=C([O-])N1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000831964302 605861648 /nfs/dbraw/zinc/86/16/48/605861648.db2.gz VAAVRNRYFUVCEP-MRXNPFEDSA-N -1 1 393.440 2.468 20 0 GEADMM C[C@@H]1Cc2cc(S(=O)(=O)Nc3cnc4c(c3)CN(C(=O)[O-])CC4)ccc2O1 ZINC000833837632 605876505 /nfs/dbraw/zinc/87/65/05/605876505.db2.gz JJFUBKJBDTUJLH-LLVKDONJSA-N -1 1 389.433 2.242 20 0 GEADMM CC(C)(C)CCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC000833429224 605901004 /nfs/dbraw/zinc/90/10/04/605901004.db2.gz GFVXEXAHPMJPSW-UHFFFAOYSA-N -1 1 379.432 2.043 20 0 GEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000833831029 605906848 /nfs/dbraw/zinc/90/68/48/605906848.db2.gz MFNIXMWLENVSNF-YPMHNXCESA-N -1 1 389.374 2.179 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820227485 605937347 /nfs/dbraw/zinc/93/73/47/605937347.db2.gz HGVASLJMZOCPKQ-GDBMZVCRSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000820227485 605937351 /nfs/dbraw/zinc/93/73/51/605937351.db2.gz HGVASLJMZOCPKQ-GDBMZVCRSA-N -1 1 381.432 2.103 20 0 GEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000832235092 605937659 /nfs/dbraw/zinc/93/76/59/605937659.db2.gz WHMHIVWLSKAVLR-RLAWYHOSSA-N -1 1 377.407 2.440 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cn1 ZINC000834276557 606063483 /nfs/dbraw/zinc/06/34/83/606063483.db2.gz XUWCOFZDPCYKPN-ZDUSSCGKSA-N -1 1 379.380 2.329 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cn1 ZINC000834275714 606065613 /nfs/dbraw/zinc/06/56/13/606065613.db2.gz GJVUZJTVINSANL-ZDUSSCGKSA-N -1 1 393.407 2.371 20 0 GEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834151904 606094594 /nfs/dbraw/zinc/09/45/94/606094594.db2.gz YTBONEZMIRKLEP-HZPDHXFCSA-N -1 1 383.452 2.267 20 0 GEADMM CCOC(=O)c1sc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)nc1C ZINC000821347228 606103276 /nfs/dbraw/zinc/10/32/76/606103276.db2.gz UFKILHVANAWSMT-UHFFFAOYSA-N -1 1 379.833 2.469 20 0 GEADMM CCOC(=O)c1sc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)nc1C ZINC000821347228 606103278 /nfs/dbraw/zinc/10/32/78/606103278.db2.gz UFKILHVANAWSMT-UHFFFAOYSA-N -1 1 379.833 2.469 20 0 GEADMM CCCN(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1cccnc1 ZINC000821083210 606118440 /nfs/dbraw/zinc/11/84/40/606118440.db2.gz VUHGITHWZQOYFP-UHFFFAOYSA-N -1 1 381.440 2.355 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000823483776 606122192 /nfs/dbraw/zinc/12/21/92/606122192.db2.gz MRURUPNBRRFULR-UHFFFAOYSA-N -1 1 376.392 2.169 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000823483776 606122195 /nfs/dbraw/zinc/12/21/95/606122195.db2.gz MRURUPNBRRFULR-UHFFFAOYSA-N -1 1 376.392 2.169 20 0 GEADMM COC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000821667190 606127725 /nfs/dbraw/zinc/12/77/25/606127725.db2.gz YZZGJHIICPYJIF-UHFFFAOYSA-N -1 1 392.375 2.068 20 0 GEADMM COC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000821667190 606127726 /nfs/dbraw/zinc/12/77/26/606127726.db2.gz YZZGJHIICPYJIF-UHFFFAOYSA-N -1 1 392.375 2.068 20 0 GEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821457571 606128186 /nfs/dbraw/zinc/12/81/86/606128186.db2.gz XGSZCPANVJTPGX-VXGBXAGGSA-N -1 1 394.526 2.483 20 0 GEADMM C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820734648 606132539 /nfs/dbraw/zinc/13/25/39/606132539.db2.gz NLQIOTKNFJVXFD-NSHDSACASA-N -1 1 383.433 2.453 20 0 GEADMM C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820734648 606132540 /nfs/dbraw/zinc/13/25/40/606132540.db2.gz NLQIOTKNFJVXFD-NSHDSACASA-N -1 1 383.433 2.453 20 0 GEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820564205 606132560 /nfs/dbraw/zinc/13/25/60/606132560.db2.gz ZBAKKJRXHQPCKR-JTQLQIEISA-N -1 1 389.412 2.444 20 0 GEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820564205 606132561 /nfs/dbraw/zinc/13/25/61/606132561.db2.gz ZBAKKJRXHQPCKR-JTQLQIEISA-N -1 1 389.412 2.444 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819933510 606133783 /nfs/dbraw/zinc/13/37/83/606133783.db2.gz UJYUCGWHLWMXNU-JTQLQIEISA-N -1 1 379.442 2.485 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819933510 606133784 /nfs/dbraw/zinc/13/37/84/606133784.db2.gz UJYUCGWHLWMXNU-JTQLQIEISA-N -1 1 379.442 2.485 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccco1 ZINC000820027782 606133874 /nfs/dbraw/zinc/13/38/74/606133874.db2.gz UEYDNZUMBMSZKH-ZDUSSCGKSA-N -1 1 375.410 2.019 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccco1 ZINC000820027782 606133875 /nfs/dbraw/zinc/13/38/75/606133875.db2.gz UEYDNZUMBMSZKH-ZDUSSCGKSA-N -1 1 375.410 2.019 20 0 GEADMM Cc1ccccc1C[C@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822355975 606138216 /nfs/dbraw/zinc/13/82/16/606138216.db2.gz FELULIFJWLNDTB-LBPRGKRZSA-N -1 1 385.449 2.141 20 0 GEADMM Cc1ccccc1C[C@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822355975 606138218 /nfs/dbraw/zinc/13/82/18/606138218.db2.gz FELULIFJWLNDTB-LBPRGKRZSA-N -1 1 385.449 2.141 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614879 606156033 /nfs/dbraw/zinc/15/60/33/606156033.db2.gz VURVZRZOTIEGJM-SKDRFNHKSA-N -1 1 392.345 2.297 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614879 606156034 /nfs/dbraw/zinc/15/60/34/606156034.db2.gz VURVZRZOTIEGJM-SKDRFNHKSA-N -1 1 392.345 2.297 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccco2)Cc2ccccc2)n1 ZINC000822604903 606160123 /nfs/dbraw/zinc/16/01/23/606160123.db2.gz PDIGJARPRYBELI-UHFFFAOYSA-N -1 1 378.396 2.428 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccco2)Cc2ccccc2)n1 ZINC000822604903 606160125 /nfs/dbraw/zinc/16/01/25/606160125.db2.gz PDIGJARPRYBELI-UHFFFAOYSA-N -1 1 378.396 2.428 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000820380129 606163603 /nfs/dbraw/zinc/16/36/03/606163603.db2.gz LSIYWENXNCVQGR-SNVBAGLBSA-N -1 1 379.384 2.138 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000820380129 606163605 /nfs/dbraw/zinc/16/36/05/606163605.db2.gz LSIYWENXNCVQGR-SNVBAGLBSA-N -1 1 379.384 2.138 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822233407 606164004 /nfs/dbraw/zinc/16/40/04/606164004.db2.gz OECPBMGCLKUBNU-HOCLYGCPSA-N -1 1 396.455 2.198 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822233407 606164005 /nfs/dbraw/zinc/16/40/05/606164005.db2.gz OECPBMGCLKUBNU-HOCLYGCPSA-N -1 1 396.455 2.198 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2csc(-c3ccccc3)n2)n1 ZINC000822620203 606164470 /nfs/dbraw/zinc/16/44/70/606164470.db2.gz LOTHAPFAXLBHLF-UHFFFAOYSA-N -1 1 381.425 2.045 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2csc(-c3ccccc3)n2)n1 ZINC000822620203 606164471 /nfs/dbraw/zinc/16/44/71/606164471.db2.gz LOTHAPFAXLBHLF-UHFFFAOYSA-N -1 1 381.425 2.045 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccnc(Oc3ccccc3)c2)n1 ZINC000822619540 606167741 /nfs/dbraw/zinc/16/77/41/606167741.db2.gz AFGQJMKFCFVPLO-UHFFFAOYSA-N -1 1 391.395 2.109 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccnc(Oc3ccccc3)c2)n1 ZINC000822619540 606167742 /nfs/dbraw/zinc/16/77/42/606167742.db2.gz AFGQJMKFCFVPLO-UHFFFAOYSA-N -1 1 391.395 2.109 20 0 GEADMM CC[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820908952 606168366 /nfs/dbraw/zinc/16/83/66/606168366.db2.gz SFNKJPCHETZPPV-JTQLQIEISA-N -1 1 390.835 2.233 20 0 GEADMM CC[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820908952 606168368 /nfs/dbraw/zinc/16/83/68/606168368.db2.gz SFNKJPCHETZPPV-JTQLQIEISA-N -1 1 390.835 2.233 20 0 GEADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000820669159 606196523 /nfs/dbraw/zinc/19/65/23/606196523.db2.gz ZFRIFRLJOZNYGN-HZMBPMFUSA-N -1 1 378.392 2.419 20 0 GEADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726671 606201558 /nfs/dbraw/zinc/20/15/58/606201558.db2.gz AFPCEYDAEOWJTM-MGPLVRAMSA-N -1 1 388.428 2.003 20 0 GEADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726671 606201559 /nfs/dbraw/zinc/20/15/59/606201559.db2.gz AFPCEYDAEOWJTM-MGPLVRAMSA-N -1 1 388.428 2.003 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000819991672 606201622 /nfs/dbraw/zinc/20/16/22/606201622.db2.gz KEJCEYHUWVWFIL-UHFFFAOYSA-N -1 1 397.382 2.498 20 0 GEADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(OC)c(OC)c1 ZINC000821689122 606293231 /nfs/dbraw/zinc/29/32/31/606293231.db2.gz LLBXJDGTQYGNOJ-UHFFFAOYSA-N -1 1 389.437 2.239 20 0 GEADMM COCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(OC)c(OC)c1 ZINC000821689122 606293232 /nfs/dbraw/zinc/29/32/32/606293232.db2.gz LLBXJDGTQYGNOJ-UHFFFAOYSA-N -1 1 389.437 2.239 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000822004115 606294274 /nfs/dbraw/zinc/29/42/74/606294274.db2.gz AQOSVHMGBMRWHW-NSHDSACASA-N -1 1 398.389 2.318 20 0 GEADMM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823114782 606295801 /nfs/dbraw/zinc/29/58/01/606295801.db2.gz DNQJLDOVTOEGQS-UHFFFAOYSA-N -1 1 379.355 2.078 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1csc(Nc2ccccn2)n1 ZINC000823294897 606296282 /nfs/dbraw/zinc/29/62/82/606296282.db2.gz WTGVIUNZMWHDDD-UHFFFAOYSA-N -1 1 380.393 2.420 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cn(-c2ccccc2Cl)nn1 ZINC000823294620 606296941 /nfs/dbraw/zinc/29/69/41/606296941.db2.gz KNJSGJAUXHNEAF-UHFFFAOYSA-N -1 1 382.771 2.059 20 0 GEADMM CC[C@@H](C)CN(CC)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820870064 606300396 /nfs/dbraw/zinc/30/03/96/606300396.db2.gz MLQGCSUYFZJWOV-GFCCVEGCSA-N -1 1 384.488 2.353 20 0 GEADMM CC[C@@H](C)CN(CC)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820870064 606300398 /nfs/dbraw/zinc/30/03/98/606300398.db2.gz MLQGCSUYFZJWOV-GFCCVEGCSA-N -1 1 384.488 2.353 20 0 GEADMM CC(=O)Nc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1 ZINC000819818224 606391827 /nfs/dbraw/zinc/39/18/27/606391827.db2.gz SLCAHHNKMRTYHB-JYRVWZFOSA-N -1 1 380.389 2.231 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1C ZINC000820642929 606393430 /nfs/dbraw/zinc/39/34/30/606393430.db2.gz MWHCMPWAHOXHMX-CYBMUJFWSA-N -1 1 376.442 2.098 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3nn[n-]n3)s2)N(C)C(=O)N1C ZINC000820636062 606393630 /nfs/dbraw/zinc/39/36/30/606393630.db2.gz PMOCFROXUDHAJI-CYBMUJFWSA-N -1 1 376.442 2.192 20 0 GEADMM CC1=C(C(=O)N(C)C)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1CC(C)C ZINC000820637747 606393660 /nfs/dbraw/zinc/39/36/60/606393660.db2.gz ZLSZLFKKNFXCDF-AWEZNQCLSA-N -1 1 389.485 2.013 20 0 GEADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2)n[nH]1 ZINC000822419236 606395708 /nfs/dbraw/zinc/39/57/08/606395708.db2.gz NPJKEKGJXYCFAG-UHFFFAOYSA-N -1 1 396.436 2.069 20 0 GEADMM CCc1nn(CC(=O)c2cc(C)c(F)cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821516816 606399125 /nfs/dbraw/zinc/39/91/25/606399125.db2.gz CTJLMOQDNQSREQ-UHFFFAOYSA-N -1 1 388.378 2.018 20 0 GEADMM c1cc(-c2cccc(CNc3nccn4nnnc34)c2)sc1-c1nn[n-]n1 ZINC000823751981 606433044 /nfs/dbraw/zinc/43/30/44/606433044.db2.gz VHXHYXVMBWTKKA-UHFFFAOYSA-N -1 1 376.409 2.040 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@H]1C ZINC000820726946 606434477 /nfs/dbraw/zinc/43/44/77/606434477.db2.gz DOQNZFCITYZZMG-BDAKNGLRSA-N -1 1 375.376 2.305 20 0 GEADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000823561331 606460063 /nfs/dbraw/zinc/46/00/63/606460063.db2.gz CVXBLSVIZMKKEG-UHFFFAOYSA-N -1 1 399.263 2.454 20 0 GEADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000823561331 606460064 /nfs/dbraw/zinc/46/00/64/606460064.db2.gz CVXBLSVIZMKKEG-UHFFFAOYSA-N -1 1 399.263 2.454 20 0 GEADMM C[C@H]1CN=C(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)S1 ZINC000820804604 606468885 /nfs/dbraw/zinc/46/88/85/606468885.db2.gz VRHWYESMFDBGGM-LBPRGKRZSA-N -1 1 380.481 2.028 20 0 GEADMM CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821936830 606490451 /nfs/dbraw/zinc/49/04/51/606490451.db2.gz GQDUSPJBVZDDKG-UHFFFAOYSA-N -1 1 383.842 2.237 20 0 GEADMM CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821936830 606490452 /nfs/dbraw/zinc/49/04/52/606490452.db2.gz GQDUSPJBVZDDKG-UHFFFAOYSA-N -1 1 383.842 2.237 20 0 GEADMM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821165389 606491515 /nfs/dbraw/zinc/49/15/15/606491515.db2.gz QQNWWYHWZMUUOH-UHFFFAOYSA-N -1 1 386.437 2.038 20 0 GEADMM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821165389 606491517 /nfs/dbraw/zinc/49/15/17/606491517.db2.gz QQNWWYHWZMUUOH-UHFFFAOYSA-N -1 1 386.437 2.038 20 0 GEADMM CCN1C[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)Oc2ccccc21 ZINC000821239709 606496384 /nfs/dbraw/zinc/49/63/84/606496384.db2.gz CCUKGOLRXLOYKC-GFCCVEGCSA-N -1 1 384.465 2.288 20 0 GEADMM CCN1C[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)Oc2ccccc21 ZINC000821239709 606496385 /nfs/dbraw/zinc/49/63/85/606496385.db2.gz CCUKGOLRXLOYKC-GFCCVEGCSA-N -1 1 384.465 2.288 20 0 GEADMM O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823219726 606499887 /nfs/dbraw/zinc/49/98/87/606499887.db2.gz OGRYNMXTHGSTMO-UHFFFAOYSA-N -1 1 391.840 2.325 20 0 GEADMM O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823219726 606499889 /nfs/dbraw/zinc/49/98/89/606499889.db2.gz OGRYNMXTHGSTMO-UHFFFAOYSA-N -1 1 391.840 2.325 20 0 GEADMM CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821175168 606508130 /nfs/dbraw/zinc/50/81/30/606508130.db2.gz GYHGRBWYFQWCAK-UHFFFAOYSA-N -1 1 384.465 2.340 20 0 GEADMM CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821175168 606508132 /nfs/dbraw/zinc/50/81/32/606508132.db2.gz GYHGRBWYFQWCAK-UHFFFAOYSA-N -1 1 384.465 2.340 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)N2CCOCC2)cc1 ZINC000822230569 606517387 /nfs/dbraw/zinc/51/73/87/606517387.db2.gz KCEZJSSODIRNPU-OAHLLOKOSA-N -1 1 398.492 2.040 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)N2CCOCC2)cc1 ZINC000822230569 606517389 /nfs/dbraw/zinc/51/73/89/606517389.db2.gz KCEZJSSODIRNPU-OAHLLOKOSA-N -1 1 398.492 2.040 20 0 GEADMM C[C@@H]1CCN(c2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)ccn2)C1 ZINC000820727095 606523485 /nfs/dbraw/zinc/52/34/85/606523485.db2.gz GOHBMMXGXQXGPT-GFCCVEGCSA-N -1 1 395.471 2.312 20 0 GEADMM C[C@@H]1CCN(c2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)ccn2)C1 ZINC000820727095 606523487 /nfs/dbraw/zinc/52/34/87/606523487.db2.gz GOHBMMXGXQXGPT-GFCCVEGCSA-N -1 1 395.471 2.312 20 0 GEADMM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000822323291 606527450 /nfs/dbraw/zinc/52/74/50/606527450.db2.gz DKGCUPSPNANMRC-GFCCVEGCSA-N -1 1 397.464 2.123 20 0 GEADMM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000822323291 606527451 /nfs/dbraw/zinc/52/74/51/606527451.db2.gz DKGCUPSPNANMRC-GFCCVEGCSA-N -1 1 397.464 2.123 20 0 GEADMM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)n1 ZINC000822152651 606534786 /nfs/dbraw/zinc/53/47/86/606534786.db2.gz IHCVRXCZPQOFTO-UHFFFAOYSA-N -1 1 379.405 2.239 20 0 GEADMM O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc(-c2nnn[n-]2)s1 ZINC000823289149 606548210 /nfs/dbraw/zinc/54/82/10/606548210.db2.gz CSHGDGPTYMMUDR-UHFFFAOYSA-N -1 1 387.450 2.098 20 0 GEADMM O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc(-c2nn[n-]n2)s1 ZINC000823289149 606548212 /nfs/dbraw/zinc/54/82/12/606548212.db2.gz CSHGDGPTYMMUDR-UHFFFAOYSA-N -1 1 387.450 2.098 20 0 GEADMM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821694493 606565003 /nfs/dbraw/zinc/56/50/03/606565003.db2.gz PLJVDXOMEQGCHZ-SANMLTNESA-N -1 1 391.478 2.076 20 0 GEADMM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821694493 606565004 /nfs/dbraw/zinc/56/50/04/606565004.db2.gz PLJVDXOMEQGCHZ-SANMLTNESA-N -1 1 391.478 2.076 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939411 606573756 /nfs/dbraw/zinc/57/37/56/606573756.db2.gz AYULHIVTIWNTSS-QWRGUYRKSA-N -1 1 392.485 2.351 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939411 606573758 /nfs/dbraw/zinc/57/37/58/606573758.db2.gz AYULHIVTIWNTSS-QWRGUYRKSA-N -1 1 392.485 2.351 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000822541736 606585001 /nfs/dbraw/zinc/58/50/01/606585001.db2.gz PUJATOSTISSXAE-CZUORRHYSA-N -1 1 384.440 2.350 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000822541736 606585002 /nfs/dbraw/zinc/58/50/02/606585002.db2.gz PUJATOSTISSXAE-CZUORRHYSA-N -1 1 384.440 2.350 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821571789 606588609 /nfs/dbraw/zinc/58/86/09/606588609.db2.gz FLIYVDGKRDUYRB-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821571789 606588611 /nfs/dbraw/zinc/58/86/11/606588611.db2.gz FLIYVDGKRDUYRB-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000821309575 606599967 /nfs/dbraw/zinc/59/99/67/606599967.db2.gz PCAPEFVGGNSMHA-UHFFFAOYSA-N -1 1 388.453 2.498 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCC2(C)CCOCC2)c1-c1nn[n-]n1 ZINC000821990679 606607035 /nfs/dbraw/zinc/60/70/35/606607035.db2.gz VFJSJYDJMOVXFC-UHFFFAOYSA-N -1 1 388.497 2.408 20 0 GEADMM CCCN(CC)C(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821095158 606647777 /nfs/dbraw/zinc/64/77/77/606647777.db2.gz ZJCUKQQSGWBQTP-UHFFFAOYSA-N -1 1 394.435 2.491 20 0 GEADMM CCCN(CC)C(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821095158 606647778 /nfs/dbraw/zinc/64/77/78/606647778.db2.gz ZJCUKQQSGWBQTP-UHFFFAOYSA-N -1 1 394.435 2.491 20 0 GEADMM COc1ccccc1-c1nn(C)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821877628 606648728 /nfs/dbraw/zinc/64/87/28/606648728.db2.gz NXKLDKCRMRQLQU-UHFFFAOYSA-N -1 1 391.391 2.028 20 0 GEADMM COc1ccccc1-c1nn(C)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821877628 606648729 /nfs/dbraw/zinc/64/87/29/606648729.db2.gz NXKLDKCRMRQLQU-UHFFFAOYSA-N -1 1 391.391 2.028 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000823440053 606650017 /nfs/dbraw/zinc/65/00/17/606650017.db2.gz ANLVYSNXRWOPRJ-UHFFFAOYSA-N -1 1 387.403 2.293 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000823440053 606650018 /nfs/dbraw/zinc/65/00/18/606650018.db2.gz ANLVYSNXRWOPRJ-UHFFFAOYSA-N -1 1 387.403 2.293 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823436271 606650581 /nfs/dbraw/zinc/65/05/81/606650581.db2.gz OFYUMZDPXCWCHB-CQSZACIVSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823436271 606650582 /nfs/dbraw/zinc/65/05/82/606650582.db2.gz OFYUMZDPXCWCHB-CQSZACIVSA-N -1 1 398.810 2.011 20 0 GEADMM CC(C)CC(=O)N[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820051778 606651930 /nfs/dbraw/zinc/65/19/30/606651930.db2.gz WIURBZDRAHJMEY-SFHVURJKSA-N -1 1 394.435 2.209 20 0 GEADMM CC(C)CC(=O)N[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820051778 606651931 /nfs/dbraw/zinc/65/19/31/606651931.db2.gz WIURBZDRAHJMEY-SFHVURJKSA-N -1 1 394.435 2.209 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC000821990926 606687534 /nfs/dbraw/zinc/68/75/34/606687534.db2.gz ZKOJRKGVUFWQHX-JTQLQIEISA-N -1 1 390.513 2.388 20 0 GEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cn(-c2ccccc2)nn1 ZINC000819988249 606691788 /nfs/dbraw/zinc/69/17/88/606691788.db2.gz VGICNSOTTFAAQP-UHFFFAOYSA-N -1 1 380.437 2.174 20 0 GEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cn(-c2ccccc2)nn1 ZINC000819988249 606691789 /nfs/dbraw/zinc/69/17/89/606691789.db2.gz VGICNSOTTFAAQP-UHFFFAOYSA-N -1 1 380.437 2.174 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOc2ccc(F)cc21 ZINC000822006275 606694454 /nfs/dbraw/zinc/69/44/54/606694454.db2.gz ZVWGWOWHXANEGH-UHFFFAOYSA-N -1 1 398.398 2.081 20 0 GEADMM O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823216100 606743065 /nfs/dbraw/zinc/74/30/65/606743065.db2.gz ZZNAXTCOIOWZIV-UHFFFAOYSA-N -1 1 384.343 2.151 20 0 GEADMM O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823216100 606743067 /nfs/dbraw/zinc/74/30/67/606743067.db2.gz ZZNAXTCOIOWZIV-UHFFFAOYSA-N -1 1 384.343 2.151 20 0 GEADMM CCOc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821422077 606764516 /nfs/dbraw/zinc/76/45/16/606764516.db2.gz MEGNOVKUSJEPRZ-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000820187847 606819656 /nfs/dbraw/zinc/81/96/56/606819656.db2.gz VTGBORMKFHRKKE-AWEZNQCLSA-N -1 1 392.467 2.131 20 0 GEADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000820187847 606819657 /nfs/dbraw/zinc/81/96/57/606819657.db2.gz VTGBORMKFHRKKE-AWEZNQCLSA-N -1 1 392.467 2.131 20 0 GEADMM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821609682 606841101 /nfs/dbraw/zinc/84/11/01/606841101.db2.gz HOBOWPGYAKUNNI-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820944803 606843569 /nfs/dbraw/zinc/84/35/69/606843569.db2.gz OMFIWIBHMPTQEZ-CQSZACIVSA-N -1 1 376.417 2.173 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2c(Cl)cccc2C1 ZINC000823607824 606844573 /nfs/dbraw/zinc/84/45/73/606844573.db2.gz XQYVBPIRZYEFJC-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM Cn1cc(-c2nc3ccccn3c2NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822605105 606856225 /nfs/dbraw/zinc/85/62/25/606856225.db2.gz YUVAVTANXCZDSJ-UHFFFAOYSA-N -1 1 391.420 2.229 20 0 GEADMM Cn1cc(-c2nc3ccccn3c2NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822605105 606856226 /nfs/dbraw/zinc/85/62/26/606856226.db2.gz YUVAVTANXCZDSJ-UHFFFAOYSA-N -1 1 391.420 2.229 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000822613667 606908439 /nfs/dbraw/zinc/90/84/39/606908439.db2.gz FNRWFWMXUDHYJB-CYBMUJFWSA-N -1 1 380.412 2.168 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000822613667 606908440 /nfs/dbraw/zinc/90/84/40/606908440.db2.gz FNRWFWMXUDHYJB-CYBMUJFWSA-N -1 1 380.412 2.168 20 0 GEADMM Cc1cccc(C)c1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822293799 607049044 /nfs/dbraw/zinc/04/90/44/607049044.db2.gz MCBZNOUDEXBRFM-UHFFFAOYSA-N -1 1 380.452 2.450 20 0 GEADMM Cc1ccc(C)n1-c1nc(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)cs1 ZINC000822232087 607110360 /nfs/dbraw/zinc/11/03/60/607110360.db2.gz SPARSDNGKUTPEZ-UHFFFAOYSA-N -1 1 386.466 2.368 20 0 GEADMM Cc1ccc(C)n1-c1nc(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)cs1 ZINC000822232087 607110362 /nfs/dbraw/zinc/11/03/62/607110362.db2.gz SPARSDNGKUTPEZ-UHFFFAOYSA-N -1 1 386.466 2.368 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823600549 607145071 /nfs/dbraw/zinc/14/50/71/607145071.db2.gz ICEKGNHZSFEYLM-INIZCTEOSA-N -1 1 398.492 2.438 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000823600549 607145073 /nfs/dbraw/zinc/14/50/73/607145073.db2.gz ICEKGNHZSFEYLM-INIZCTEOSA-N -1 1 398.492 2.438 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)[nH]nc1C1CC1 ZINC000822020952 607152665 /nfs/dbraw/zinc/15/26/65/607152665.db2.gz OWBQTYPHSNYMGH-UHFFFAOYSA-N -1 1 379.833 2.230 20 0 GEADMM O=C1NCCC[C@@H]1Sc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000823548457 607161020 /nfs/dbraw/zinc/16/10/20/607161020.db2.gz XBEURTWHHQYVBN-ZDUSSCGKSA-N -1 1 382.449 2.381 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000821882462 607228279 /nfs/dbraw/zinc/22/82/79/607228279.db2.gz BNYSWYISRMBLRI-KRWDZBQOSA-N -1 1 376.376 2.383 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC000821882462 607228280 /nfs/dbraw/zinc/22/82/80/607228280.db2.gz BNYSWYISRMBLRI-KRWDZBQOSA-N -1 1 376.376 2.383 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(-c2cc(C)nc(C)n2)n1 ZINC000822154019 607239280 /nfs/dbraw/zinc/23/92/80/607239280.db2.gz SPLDHRUJFRHTMO-UHFFFAOYSA-N -1 1 381.425 2.081 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(-c2cc(C)nc(C)n2)n1 ZINC000822154019 607239281 /nfs/dbraw/zinc/23/92/81/607239281.db2.gz SPLDHRUJFRHTMO-UHFFFAOYSA-N -1 1 381.425 2.081 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC2CCC(OC(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826229358 607781019 /nfs/dbraw/zinc/78/10/19/607781019.db2.gz AYMMYHIBFXTJPH-UHFFFAOYSA-N -1 1 392.485 2.155 20 0 GEADMM OC[C@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826507514 607820995 /nfs/dbraw/zinc/82/09/95/607820995.db2.gz QBBMAIFBPKDAHZ-LIRRHRJNSA-N -1 1 376.420 2.311 20 0 GEADMM OC[C@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826507514 607820996 /nfs/dbraw/zinc/82/09/96/607820996.db2.gz QBBMAIFBPKDAHZ-LIRRHRJNSA-N -1 1 376.420 2.311 20 0 GEADMM Cc1cccc(N2CCN(C(=O)COc3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000826298825 607863709 /nfs/dbraw/zinc/86/37/09/607863709.db2.gz HZPUQGFFXFVNIE-UHFFFAOYSA-N -1 1 396.426 2.042 20 0 GEADMM Cc1cccc(N2CCN(C(=O)COc3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000826298825 607863710 /nfs/dbraw/zinc/86/37/10/607863710.db2.gz HZPUQGFFXFVNIE-UHFFFAOYSA-N -1 1 396.426 2.042 20 0 GEADMM CCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000825643763 607867538 /nfs/dbraw/zinc/86/75/38/607867538.db2.gz TYMDGTUCGPYWNY-UHFFFAOYSA-N -1 1 378.385 2.481 20 0 GEADMM CCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000825643763 607867539 /nfs/dbraw/zinc/86/75/39/607867539.db2.gz TYMDGTUCGPYWNY-UHFFFAOYSA-N -1 1 378.385 2.481 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCC2Cc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000826229859 607929636 /nfs/dbraw/zinc/92/96/36/607929636.db2.gz ULFGHKCZGFYDJG-UHFFFAOYSA-N -1 1 396.476 2.224 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](c1ccccc1)N1CCCCC1=O ZINC000826451281 607999042 /nfs/dbraw/zinc/99/90/42/607999042.db2.gz YXUJOJWHCIJUTC-SFHVURJKSA-N -1 1 392.419 2.265 20 0 GEADMM CC[C@@H](C)N(OC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825067821 607999951 /nfs/dbraw/zinc/99/99/51/607999951.db2.gz NRMLAAWMYFUNFH-MRVPVSSYSA-N -1 1 379.364 2.236 20 0 GEADMM Cc1nn(Cc2cccc(NC(=O)OC(C)(C)C)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826335047 608022538 /nfs/dbraw/zinc/02/25/38/608022538.db2.gz VOUZYVROEKAPFG-UHFFFAOYSA-N -1 1 397.439 2.436 20 0 GEADMM CC(=O)c1ccc(Oc2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc2)cc1 ZINC000824030148 608026222 /nfs/dbraw/zinc/02/62/22/608026222.db2.gz WQHGBCRPBKVQTO-UHFFFAOYSA-N -1 1 389.375 2.329 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cnc(Cl)s1 ZINC000826232987 608028256 /nfs/dbraw/zinc/02/82/56/608028256.db2.gz PKXGVFDKNNXRQG-UHFFFAOYSA-N -1 1 394.844 2.370 20 0 GEADMM CC(=O)c1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)nc1 ZINC000824025046 608031216 /nfs/dbraw/zinc/03/12/16/608031216.db2.gz TXYKMFPPERTHLV-UHFFFAOYSA-N -1 1 377.364 2.409 20 0 GEADMM CC(=O)c1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)nc1 ZINC000824025046 608031217 /nfs/dbraw/zinc/03/12/17/608031217.db2.gz TXYKMFPPERTHLV-UHFFFAOYSA-N -1 1 377.364 2.409 20 0 GEADMM CCOC(=O)c1oc2ccccc2c1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000825577256 608079046 /nfs/dbraw/zinc/07/90/46/608079046.db2.gz UQGAJGYZXXPATC-UHFFFAOYSA-N -1 1 394.391 2.011 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC000826279850 608101401 /nfs/dbraw/zinc/10/14/01/608101401.db2.gz DXZDTZIALVILLR-UHFFFAOYSA-N -1 1 383.393 2.026 20 0 GEADMM C[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1nccs1 ZINC000824412524 608127056 /nfs/dbraw/zinc/12/70/56/608127056.db2.gz AFQBHMFWZXEYTG-VIFPVBQESA-N -1 1 398.901 2.401 20 0 GEADMM NC(=O)c1ccc(CN(c2snc(Cl)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000826393217 608173941 /nfs/dbraw/zinc/17/39/41/608173941.db2.gz HYUUWKABXLPZQJ-UHFFFAOYSA-N -1 1 375.845 2.245 20 0 GEADMM NC(=O)c1ccc(CN(c2snc(Cl)c2-c2nn[n-]n2)C2CC2)cc1 ZINC000826393217 608173943 /nfs/dbraw/zinc/17/39/43/608173943.db2.gz HYUUWKABXLPZQJ-UHFFFAOYSA-N -1 1 375.845 2.245 20 0 GEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825833392 608192336 /nfs/dbraw/zinc/19/23/36/608192336.db2.gz HKLDEGXYEAQWKO-SNVBAGLBSA-N -1 1 377.861 2.088 20 0 GEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825833392 608192338 /nfs/dbraw/zinc/19/23/38/608192338.db2.gz HKLDEGXYEAQWKO-SNVBAGLBSA-N -1 1 377.861 2.088 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000826340987 608251019 /nfs/dbraw/zinc/25/10/19/608251019.db2.gz RDBUCVHQLCVHBC-ZIAGYGMSSA-N -1 1 384.440 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000826340987 608251021 /nfs/dbraw/zinc/25/10/21/608251021.db2.gz RDBUCVHQLCVHBC-ZIAGYGMSSA-N -1 1 384.440 2.492 20 0 GEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1Cl ZINC000825759927 608267001 /nfs/dbraw/zinc/26/70/01/608267001.db2.gz PDPXEHQHQSQVNC-UHFFFAOYSA-N -1 1 395.876 2.179 20 0 GEADMM COc1cc(C=O)c(Br)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826179040 608405146 /nfs/dbraw/zinc/40/51/46/608405146.db2.gz WLMGGIXQMYXQSY-UHFFFAOYSA-N -1 1 377.158 2.033 20 0 GEADMM COc1cc(C=O)c(Br)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826179040 608405147 /nfs/dbraw/zinc/40/51/47/608405147.db2.gz WLMGGIXQMYXQSY-UHFFFAOYSA-N -1 1 377.158 2.033 20 0 GEADMM O=C(CCc1cc2ccccc2[nH]c1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826407802 608454103 /nfs/dbraw/zinc/45/41/03/608454103.db2.gz BRHSHEHPKOJVQV-UHFFFAOYSA-N -1 1 376.376 2.192 20 0 GEADMM O=C(CCc1cc2ccccc2[nH]c1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826407802 608454105 /nfs/dbraw/zinc/45/41/05/608454105.db2.gz BRHSHEHPKOJVQV-UHFFFAOYSA-N -1 1 376.376 2.192 20 0 GEADMM O=C(c1ccc(F)c(F)c1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826473304 608534566 /nfs/dbraw/zinc/53/45/66/608534566.db2.gz SARYWLNUKMZTOW-UHFFFAOYSA-N -1 1 390.419 2.164 20 0 GEADMM CC(C)C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824228339 608557101 /nfs/dbraw/zinc/55/71/01/608557101.db2.gz HOPBDPATNWVYBM-OAHLLOKOSA-N -1 1 396.499 2.393 20 0 GEADMM CC(C)C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824228339 608557103 /nfs/dbraw/zinc/55/71/03/608557103.db2.gz HOPBDPATNWVYBM-OAHLLOKOSA-N -1 1 396.499 2.393 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(O)cc(O)c2)c1-c1nn[n-]n1 ZINC000826332830 608565804 /nfs/dbraw/zinc/56/58/04/608565804.db2.gz JNVNFURZSWWNBC-UHFFFAOYSA-N -1 1 392.375 2.129 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(C)Cc2ccccc2C1 ZINC000826233013 608639652 /nfs/dbraw/zinc/63/96/52/608639652.db2.gz QPOVIILNIOYCLJ-UHFFFAOYSA-N -1 1 392.463 2.190 20 0 GEADMM Cc1ccccc1CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826306893 608657613 /nfs/dbraw/zinc/65/76/13/608657613.db2.gz PDEMENXGNDNIPS-UHFFFAOYSA-N -1 1 382.493 2.124 20 0 GEADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1nccs1 ZINC000824235780 608827194 /nfs/dbraw/zinc/82/71/94/608827194.db2.gz JOZSDBFERQGGGM-SECBINFHSA-N -1 1 391.482 2.168 20 0 GEADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1nccs1 ZINC000824235780 608827197 /nfs/dbraw/zinc/82/71/97/608827197.db2.gz JOZSDBFERQGGGM-SECBINFHSA-N -1 1 391.482 2.168 20 0 GEADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824506097 608842887 /nfs/dbraw/zinc/84/28/87/608842887.db2.gz LEYAOURGEKCZEO-WCQYABFASA-N -1 1 394.501 2.042 20 0 GEADMM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826261883 608894698 /nfs/dbraw/zinc/89/46/98/608894698.db2.gz WTMFPSGBEORWPV-UHFFFAOYSA-N -1 1 381.484 2.336 20 0 GEADMM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826261883 608894700 /nfs/dbraw/zinc/89/47/00/608894700.db2.gz WTMFPSGBEORWPV-UHFFFAOYSA-N -1 1 381.484 2.336 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000825930356 609162812 /nfs/dbraw/zinc/16/28/12/609162812.db2.gz ULHKAANXYPTZMI-UHFFFAOYSA-N -1 1 381.444 2.146 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000825930356 609162814 /nfs/dbraw/zinc/16/28/14/609162814.db2.gz ULHKAANXYPTZMI-UHFFFAOYSA-N -1 1 381.444 2.146 20 0 GEADMM CCc1ncsc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825754577 609286941 /nfs/dbraw/zinc/28/69/41/609286941.db2.gz DNDHTMHIPVKAHS-UHFFFAOYSA-N -1 1 384.400 2.463 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1(C(F)(F)F)CC1 ZINC000826458505 609288270 /nfs/dbraw/zinc/28/82/70/609288270.db2.gz SJCGSXGXXUIKJT-UHFFFAOYSA-N -1 1 381.293 2.473 20 0 GEADMM C[C@@H]1C[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1=O ZINC000824866794 609290684 /nfs/dbraw/zinc/29/06/84/609290684.db2.gz NQCBKCXEGHNIOW-GHMZBOCLSA-N -1 1 383.387 2.135 20 0 GEADMM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](OC(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000826341563 609297708 /nfs/dbraw/zinc/29/77/08/609297708.db2.gz KNRXXAUDWVYLBB-KOLCDFICSA-N -1 1 384.387 2.107 20 0 GEADMM CC(C)[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824193513 609298646 /nfs/dbraw/zinc/29/86/46/609298646.db2.gz ZHESCLPDIWSTAC-MRXNPFEDSA-N -1 1 397.487 2.143 20 0 GEADMM CC(C)[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824193513 609298647 /nfs/dbraw/zinc/29/86/47/609298647.db2.gz ZHESCLPDIWSTAC-MRXNPFEDSA-N -1 1 397.487 2.143 20 0 GEADMM CCC(CC)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000825106493 609331940 /nfs/dbraw/zinc/33/19/40/609331940.db2.gz DWMSHLJCYHOTSJ-HIFRSBDPSA-N -1 1 397.476 2.268 20 0 GEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000826164643 609338288 /nfs/dbraw/zinc/33/82/88/609338288.db2.gz JSGGJLXGIXIDSQ-UHFFFAOYSA-N -1 1 379.829 2.467 20 0 GEADMM Cc1cnc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000826318261 609357591 /nfs/dbraw/zinc/35/75/91/609357591.db2.gz AMPNPWLGCQRGOM-UHFFFAOYSA-N -1 1 399.415 2.278 20 0 GEADMM CC1(C)[C@@H]2CN(C(=O)Nc3ccn(-c4cccc(F)c4-c4nn[n-]n4)n3)C[C@@H]21 ZINC000824791205 609357909 /nfs/dbraw/zinc/35/79/09/609357909.db2.gz XIJCHSNDLYALLB-PHIMTYICSA-N -1 1 382.403 2.311 20 0 GEADMM CC[C@@H](CSC)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825125142 609363596 /nfs/dbraw/zinc/36/35/96/609363596.db2.gz ACKWCXSKUZNAFM-JTQLQIEISA-N -1 1 390.448 2.455 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000826341108 609405200 /nfs/dbraw/zinc/40/52/00/609405200.db2.gz WVXCVEAARAMTMB-UONOGXRCSA-N -1 1 384.440 2.182 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000826341108 609405201 /nfs/dbraw/zinc/40/52/01/609405201.db2.gz WVXCVEAARAMTMB-UONOGXRCSA-N -1 1 384.440 2.182 20 0 GEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]2C ZINC000826212293 609426728 /nfs/dbraw/zinc/42/67/28/609426728.db2.gz MAJYAQAQPKZOMS-WDEREUQCSA-N -1 1 382.424 2.249 20 0 GEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]2C ZINC000826212293 609426730 /nfs/dbraw/zinc/42/67/30/609426730.db2.gz MAJYAQAQPKZOMS-WDEREUQCSA-N -1 1 382.424 2.249 20 0 GEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000826334130 609467531 /nfs/dbraw/zinc/46/75/31/609467531.db2.gz IXTVEKHYHIDLBD-UHFFFAOYSA-N -1 1 393.448 2.276 20 0 GEADMM COCc1nc(CSc2nc(C)cc(C(F)(F)F)c2-c2nn[n-]n2)no1 ZINC000826165690 609512264 /nfs/dbraw/zinc/51/22/64/609512264.db2.gz FTXLIAQHVQZLOF-UHFFFAOYSA-N -1 1 387.347 2.411 20 0 GEADMM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826233645 609522214 /nfs/dbraw/zinc/52/22/14/609522214.db2.gz PVRDGYZPWDLZTB-UHFFFAOYSA-N -1 1 389.775 2.290 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)c1ccc(C)o1 ZINC000826150422 609553696 /nfs/dbraw/zinc/55/36/96/609553696.db2.gz DPKNHXRXXGFZPY-GFCCVEGCSA-N -1 1 397.844 2.088 20 0 GEADMM CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1 ZINC000448536880 650016507 /nfs/dbraw/zinc/01/65/07/650016507.db2.gz DRKDBIUQRNYXAZ-UHFFFAOYSA-N -1 1 381.410 2.703 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)cn1 ZINC000451062115 650083162 /nfs/dbraw/zinc/08/31/62/650083162.db2.gz CPVOBRBGKZGQOC-JTQLQIEISA-N -1 1 395.384 2.215 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)N1CCOCC1 ZINC000451123813 650089079 /nfs/dbraw/zinc/08/90/79/650089079.db2.gz FYNDHRFCHJKDSK-SNVBAGLBSA-N -1 1 388.898 2.080 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CC2CC2)c(F)c1 ZINC000451182200 650094108 /nfs/dbraw/zinc/09/41/08/650094108.db2.gz HHWWKOVDKUJRGR-LLVKDONJSA-N -1 1 378.491 2.444 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CC)CC2)c(F)c1 ZINC000451290232 650101639 /nfs/dbraw/zinc/10/16/39/650101639.db2.gz LOVZORZAIUSAEV-UHFFFAOYSA-N -1 1 378.491 2.446 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(F)(F)C2)c(F)c1 ZINC000451372158 650108524 /nfs/dbraw/zinc/10/85/24/650108524.db2.gz XNBBUFLHBGYOST-UHFFFAOYSA-N -1 1 386.417 2.007 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2(C)CC2)c(F)c1 ZINC000451483934 650119784 /nfs/dbraw/zinc/11/97/84/650119784.db2.gz YUQXXAXIGBINRF-UHFFFAOYSA-N -1 1 378.491 2.446 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)C2)c(F)c1 ZINC000451558635 650124971 /nfs/dbraw/zinc/12/49/71/650124971.db2.gz ZVCIRHISKMNMES-MNOVXSKESA-N -1 1 382.454 2.146 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)COCC)c(F)c1 ZINC000451582348 650127491 /nfs/dbraw/zinc/12/74/91/650127491.db2.gz LVOSRVUSMXEZDH-UHFFFAOYSA-N -1 1 396.506 2.071 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCc2c1ccc(F)c2Br ZINC000451908571 650152164 /nfs/dbraw/zinc/15/21/64/650152164.db2.gz JGFZCOABIMLQMI-SNVBAGLBSA-N -1 1 390.234 2.433 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(Cc2cccc(Cl)c2)CC1 ZINC000452002778 650164578 /nfs/dbraw/zinc/16/45/78/650164578.db2.gz HZOGFXILCMVUGH-UHFFFAOYSA-N -1 1 383.857 2.293 20 0 GEADMM COC[C@](C)(O)CCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000452340009 650180102 /nfs/dbraw/zinc/18/01/02/650180102.db2.gz HCIADKPVKQOIMZ-MRXNPFEDSA-N -1 1 383.242 2.220 20 0 GEADMM CO[C@H]1CCN(C(=O)c2cc(I)ccc2[O-])C[C@@H]1C ZINC000452878108 650199993 /nfs/dbraw/zinc/19/99/93/650199993.db2.gz MMQYTPSTTLXSNQ-ZANVPECISA-N -1 1 375.206 2.494 20 0 GEADMM CO[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])C[C@H]1C ZINC000452878092 650200008 /nfs/dbraw/zinc/20/00/08/650200008.db2.gz MMQYTPSTTLXSNQ-NOZJJQNGSA-N -1 1 375.206 2.494 20 0 GEADMM CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000452891543 650200482 /nfs/dbraw/zinc/20/04/82/650200482.db2.gz VOAVHFDWBBAYRY-MFKMUULPSA-N -1 1 395.308 2.155 20 0 GEADMM Cc1nn(C)cc1CS(=O)(=O)c1nc2cc(Br)c(C)nc2[n-]1 ZINC000453034545 650204669 /nfs/dbraw/zinc/20/46/69/650204669.db2.gz VGDBHABWHIHMBY-UHFFFAOYSA-N -1 1 384.259 2.045 20 0 GEADMM Cc1nn(C)cc1CS(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000453034545 650204675 /nfs/dbraw/zinc/20/46/75/650204675.db2.gz VGDBHABWHIHMBY-UHFFFAOYSA-N -1 1 384.259 2.045 20 0 GEADMM O=C(NC1(CF)CCOCC1)c1cc(I)ccc1[O-] ZINC000456059293 650329015 /nfs/dbraw/zinc/32/90/15/650329015.db2.gz JBZFXRNGEVNUQT-UHFFFAOYSA-N -1 1 379.169 2.245 20 0 GEADMM C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc(I)ccc1[O-] ZINC000456431730 650340159 /nfs/dbraw/zinc/34/01/59/650340159.db2.gz GDPSXIYZMBICNX-VIFPVBQESA-N -1 1 385.205 2.091 20 0 GEADMM COC[C@]1(CO)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000456787938 650362767 /nfs/dbraw/zinc/36/27/67/650362767.db2.gz YTIPNHCMFNQNAD-QGZVFWFLSA-N -1 1 395.253 2.174 20 0 GEADMM COC[C@@]1(CO)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000456787934 650362876 /nfs/dbraw/zinc/36/28/76/650362876.db2.gz YTIPNHCMFNQNAD-KRWDZBQOSA-N -1 1 395.253 2.174 20 0 GEADMM COc1ccc(NC(=O)N2CC(F)(F)C(F)(F)C2)cc1[N-]S(C)(=O)=O ZINC000459448785 650424551 /nfs/dbraw/zinc/42/45/51/650424551.db2.gz SJJJBSSOJRKRIF-UHFFFAOYSA-N -1 1 385.339 2.185 20 0 GEADMM CCn1cc(S(=O)(=O)Nc2ccc(C(=O)NC)c(Cl)c2)cc1C(=O)[O-] ZINC000504245620 650428991 /nfs/dbraw/zinc/42/89/91/650428991.db2.gz GRUORQQUFDWXKC-UHFFFAOYSA-N -1 1 385.829 2.020 20 0 GEADMM CCOc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000504126175 650427565 /nfs/dbraw/zinc/42/75/65/650427565.db2.gz RIVLESUJVQUZRH-GFCCVEGCSA-N -1 1 375.874 2.484 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2NS(C)(=O)=O)cc1F ZINC000460841985 650446786 /nfs/dbraw/zinc/44/67/86/650446786.db2.gz JKFJGURDCBHMGB-UHFFFAOYSA-N -1 1 388.442 2.315 20 0 GEADMM O=S(=O)([N-]c1ncccn1)c1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000507965248 650470883 /nfs/dbraw/zinc/47/08/83/650470883.db2.gz MVYMMXRTELWOJR-UHFFFAOYSA-N -1 1 396.475 2.140 20 0 GEADMM CN(CCc1cccs1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462573783 650484917 /nfs/dbraw/zinc/48/49/17/650484917.db2.gz AYZUKMRZGRUMSM-UHFFFAOYSA-N -1 1 392.499 2.122 20 0 GEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)c1 ZINC000509089603 650486435 /nfs/dbraw/zinc/48/64/35/650486435.db2.gz MPYZVVXYSXVLRU-UHFFFAOYSA-N -1 1 386.520 2.259 20 0 GEADMM O=S(=O)([N-][C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Br)o1 ZINC000509732752 650499801 /nfs/dbraw/zinc/49/98/01/650499801.db2.gz DEGNTBXTQSQRFS-LLVKDONJSA-N -1 1 397.254 2.423 20 0 GEADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc([S@](C)=O)c3)cc2oc1=O ZINC000466961349 650500036 /nfs/dbraw/zinc/50/00/36/650500036.db2.gz JJOLJRPFYQBWER-DEOSSOPVSA-N -1 1 380.447 2.153 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H](O)C1(C)C ZINC000509960104 650504492 /nfs/dbraw/zinc/50/44/92/650504492.db2.gz ZFCXLCQRRGVKOR-WDEREUQCSA-N -1 1 382.265 2.218 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@@H](O)C1 ZINC000509966730 650504671 /nfs/dbraw/zinc/50/46/71/650504671.db2.gz BVVOZSYYSSODDA-WCBMZHEXSA-N -1 1 382.265 2.219 20 0 GEADMM CC[C@]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510560793 650514267 /nfs/dbraw/zinc/51/42/67/650514267.db2.gz SWVMLRPYISUMTB-HZUKXOBISA-N -1 1 375.874 2.215 20 0 GEADMM COc1cc(C(=O)NCc2ccc(S(C)(=O)=O)s2)cc(Cl)c1[O-] ZINC000470721363 650516339 /nfs/dbraw/zinc/51/63/39/650516339.db2.gz CAFBNMMUQXDIIY-UHFFFAOYSA-N -1 1 375.855 2.449 20 0 GEADMM COC(=O)[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCSC1 ZINC000473954710 650525703 /nfs/dbraw/zinc/52/57/03/650525703.db2.gz YSSOUCWIRFXDBP-LBPRGKRZSA-N -1 1 388.269 2.460 20 0 GEADMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOC1 ZINC000473955798 650525771 /nfs/dbraw/zinc/52/57/71/650525771.db2.gz JHLYGZHVGCOGKL-ZDUSSCGKSA-N -1 1 386.228 2.133 20 0 GEADMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1C ZINC000511158230 650528458 /nfs/dbraw/zinc/52/84/58/650528458.db2.gz UVCNEOYNDFZCQH-UHFFFAOYSA-N -1 1 384.479 2.069 20 0 GEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 ZINC000476281111 650547674 /nfs/dbraw/zinc/54/76/74/650547674.db2.gz SSEURTJFNWJTFF-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cn(C)cn1)c1ccc(Cl)c(Cl)c1 ZINC000476150971 650545173 /nfs/dbraw/zinc/54/51/73/650545173.db2.gz LOORGGLXCWMOOU-AWEZNQCLSA-N -1 1 392.264 2.094 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC(F)F)c1 ZINC000513847579 650570062 /nfs/dbraw/zinc/57/00/62/650570062.db2.gz OIEWHAPUTCCOPZ-UHFFFAOYSA-N -1 1 375.349 2.455 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(Br)sc1Br ZINC000477015852 650566160 /nfs/dbraw/zinc/56/61/60/650566160.db2.gz BLSGDBYVABDVOL-UHFFFAOYSA-N -1 1 393.064 2.205 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Br)cc1Br ZINC000477039245 650567047 /nfs/dbraw/zinc/56/70/47/650567047.db2.gz HVWIIXKVGWDSMQ-UHFFFAOYSA-N -1 1 387.035 2.144 20 0 GEADMM NC(=O)CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000477340740 650574085 /nfs/dbraw/zinc/57/40/85/650574085.db2.gz LBTDWLALZXTPDV-UHFFFAOYSA-N -1 1 380.447 2.184 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2sccc2Cl)CCCN1Cc1ccccn1 ZINC000514711582 650577387 /nfs/dbraw/zinc/57/73/87/650577387.db2.gz BZLIZOYFXZFLPC-CYBMUJFWSA-N -1 1 385.898 2.266 20 0 GEADMM COc1cc(Br)ccc1CCC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000478584498 650587909 /nfs/dbraw/zinc/58/79/09/650587909.db2.gz MTDPAGJZBGRFKB-JTQLQIEISA-N -1 1 382.262 2.166 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(N3C(=O)CNC3=O)c2)c(C)s1 ZINC000478693551 650590331 /nfs/dbraw/zinc/59/03/31/650590331.db2.gz OYKCHVIITJCPHL-UHFFFAOYSA-N -1 1 383.426 2.361 20 0 GEADMM CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000478700830 650590338 /nfs/dbraw/zinc/59/03/38/650590338.db2.gz NXNKWOJEDCHYHV-UHFFFAOYSA-N -1 1 384.274 2.421 20 0 GEADMM O=S(=O)([N-]CCN1CC=CCC1)c1cc(Br)c(F)cc1F ZINC000480789644 650632388 /nfs/dbraw/zinc/63/23/88/650632388.db2.gz TULBHOSQZWLTST-UHFFFAOYSA-N -1 1 381.242 2.268 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nccs1 ZINC000524123069 650638685 /nfs/dbraw/zinc/63/86/85/650638685.db2.gz KGZWLUIEEFKFFH-NSHDSACASA-N -1 1 393.487 2.083 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2nnn[n-]2)c1)c1ccc(Br)o1 ZINC000524578760 650643149 /nfs/dbraw/zinc/64/31/49/650643149.db2.gz YWJOCBBKDKQIJR-UHFFFAOYSA-N -1 1 377.158 2.060 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2nn[n-]n2)c1)c1ccc(Br)o1 ZINC000524578760 650643153 /nfs/dbraw/zinc/64/31/53/650643153.db2.gz YWJOCBBKDKQIJR-UHFFFAOYSA-N -1 1 377.158 2.060 20 0 GEADMM Cc1cc(COc2ccc(C(=O)Nc3nnn[n-]3)cc2Br)no1 ZINC000524579464 650643189 /nfs/dbraw/zinc/64/31/89/650643189.db2.gz WQNDSQUIXXETNS-UHFFFAOYSA-N -1 1 379.174 2.090 20 0 GEADMM Cc1cc(COc2ccc(C(=O)Nc3nn[n-]n3)cc2Br)no1 ZINC000524579464 650643193 /nfs/dbraw/zinc/64/31/93/650643193.db2.gz WQNDSQUIXXETNS-UHFFFAOYSA-N -1 1 379.174 2.090 20 0 GEADMM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525017958 650649660 /nfs/dbraw/zinc/64/96/60/650649660.db2.gz BOQSGLULLZOGFB-UHFFFAOYSA-N -1 1 377.447 2.407 20 0 GEADMM O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)c([O-])c1 ZINC000481976919 650657258 /nfs/dbraw/zinc/65/72/58/650657258.db2.gz XQISDNVFFVXZIF-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000527192810 650670689 /nfs/dbraw/zinc/67/06/89/650670689.db2.gz AHNTUOZAIHGXHO-LBPRGKRZSA-N -1 1 376.356 2.121 20 0 GEADMM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485790773 650700268 /nfs/dbraw/zinc/70/02/68/650700268.db2.gz XCZFRAVAFFXJEZ-NXEZZACHSA-N -1 1 392.253 2.429 20 0 GEADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486879311 650724797 /nfs/dbraw/zinc/72/47/97/650724797.db2.gz AAVKAKJTUTXKSP-GFCCVEGCSA-N -1 1 392.253 2.444 20 0 GEADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486893543 650724814 /nfs/dbraw/zinc/72/48/14/650724814.db2.gz DUWKPPDJZIDRHG-BXKDBHETSA-N -1 1 392.253 2.347 20 0 GEADMM CCN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@H](C)C1=O ZINC000487439617 650733719 /nfs/dbraw/zinc/73/37/19/650733719.db2.gz BJEOXXJTQRCXRT-SNVBAGLBSA-N -1 1 392.253 2.396 20 0 GEADMM C[C@@H]1C(=O)N(C)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487452651 650733768 /nfs/dbraw/zinc/73/37/68/650733768.db2.gz QBCFNAORNLVCOZ-SECBINFHSA-N -1 1 378.226 2.006 20 0 GEADMM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2=O)on1 ZINC000531143829 650735521 /nfs/dbraw/zinc/73/55/21/650735521.db2.gz HPOUMADJQDCHAP-AWEZNQCLSA-N -1 1 383.857 2.251 20 0 GEADMM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2=O)on1 ZINC000531143831 650735573 /nfs/dbraw/zinc/73/55/73/650735573.db2.gz HPOUMADJQDCHAP-CQSZACIVSA-N -1 1 383.857 2.251 20 0 GEADMM COC(=O)NNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000007737494 642344644 /nfs/dbraw/zinc/34/46/44/642344644.db2.gz WVPICIDEUIZIET-UHFFFAOYSA-N -1 1 383.813 2.142 20 0 GEADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2s1 ZINC000022410154 642406212 /nfs/dbraw/zinc/40/62/12/642406212.db2.gz DUDNRAJWOMUKFS-UHFFFAOYSA-N -1 1 383.476 2.053 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000025694591 642426652 /nfs/dbraw/zinc/42/66/52/642426652.db2.gz IJDMJDKTPUFKRJ-UHFFFAOYSA-N -1 1 382.781 2.170 20 0 GEADMM 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CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)c(F)c1 ZINC000657139767 652132173 /nfs/dbraw/zinc/13/21/73/652132173.db2.gz OYXVWHKTJGBDJU-OAHLLOKOSA-N -1 1 384.454 2.163 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)Cc3ccccc32)c(F)c1 ZINC000621305734 652144890 /nfs/dbraw/zinc/14/48/90/652144890.db2.gz HHXOAKKQQNTGLN-OAHLLOKOSA-N -1 1 387.429 2.221 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(OC)ns2)c1 ZINC000621331013 652150328 /nfs/dbraw/zinc/15/03/28/652150328.db2.gz NEQBLRGRWRPGFU-UHFFFAOYSA-N -1 1 385.467 2.140 20 0 GEADMM Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747381260 652160978 /nfs/dbraw/zinc/16/09/78/652160978.db2.gz SVBMBLAUAWLCJB-GFCCVEGCSA-N -1 1 379.404 2.081 20 0 GEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Cc3ccc(Br)cc3)nc2n1 ZINC000622870722 652205063 /nfs/dbraw/zinc/20/50/63/652205063.db2.gz DKUWHEDUVREYOI-VIFPVBQESA-N -1 1 390.241 2.306 20 0 GEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748641374 652208616 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O=C1CCCN1[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000579127977 652318941 /nfs/dbraw/zinc/31/89/41/652318941.db2.gz LLPIZUMGYQFVJZ-MNOVXSKESA-N -1 1 376.400 2.316 20 0 GEADMM O=S(=O)([N-]Cc1ccccc1CO)c1cc(Br)cnc1Cl ZINC000751249449 652334334 /nfs/dbraw/zinc/33/43/34/652334334.db2.gz VCDAMAUAKGPAMG-UHFFFAOYSA-N -1 1 391.674 2.468 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc3ccccc3s2)o1 ZINC000751494256 652357590 /nfs/dbraw/zinc/35/75/90/652357590.db2.gz WJOWLJTZODEDMX-LLVKDONJSA-N -1 1 381.431 2.293 20 0 GEADMM Cc1cc(C2([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)CCOCC2)on1 ZINC000625654274 652364486 /nfs/dbraw/zinc/36/44/86/652364486.db2.gz XVUSEHWOJGPQST-UHFFFAOYSA-N -1 1 376.356 2.385 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)C1CC1 ZINC000580069772 652366018 /nfs/dbraw/zinc/36/60/18/652366018.db2.gz WSAUQYMPHCTYLV-LBPRGKRZSA-N -1 1 396.690 2.474 20 0 GEADMM CC(C)(C)N1C[C@H](C[N-]S(=O)(=O)c2sccc2Br)CC1=O ZINC000660040845 652377277 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C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000755169970 652459512 /nfs/dbraw/zinc/45/95/12/652459512.db2.gz PFELANYHMDLYKA-QMMMGPOBSA-N -1 1 383.264 2.234 20 0 GEADMM COCc1noc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000582731593 652461007 /nfs/dbraw/zinc/46/10/07/652461007.db2.gz FBRDVMNKMODBQV-QWHCGFSZSA-N -1 1 396.241 2.279 20 0 GEADMM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cccc(I)c1[O-] ZINC000755549591 652468610 /nfs/dbraw/zinc/46/86/10/652468610.db2.gz TWZNEPAJVBXEHJ-MRVPVSSYSA-N -1 1 383.189 2.007 20 0 GEADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000755585188 652469919 /nfs/dbraw/zinc/46/99/19/652469919.db2.gz VUYOSVMBHYZEAD-SNVBAGLBSA-N -1 1 382.247 2.379 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)N(C)CC1CC1)c1ccc(Cl)cc1Cl ZINC000583169667 652475108 /nfs/dbraw/zinc/47/51/08/652475108.db2.gz ASSJMDQOWSKGEN-CYBMUJFWSA-N -1 1 381.281 2.384 20 0 GEADMM Cc1nnc(CCNC(=O)c2c([O-])cnc3c(Br)cccc32)[nH]1 ZINC000583173468 652475122 /nfs/dbraw/zinc/47/51/22/652475122.db2.gz FIAMMWXBIWXBHB-UHFFFAOYSA-N -1 1 376.214 2.102 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC(=O)C1CCCC1 ZINC000628996638 652477461 /nfs/dbraw/zinc/47/74/61/652477461.db2.gz UMXMCMZKJYIBPM-UHFFFAOYSA-N -1 1 393.292 2.147 20 0 GEADMM COc1cc2nccc(N[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]3O)c2cc1Br ZINC000662896253 652477886 /nfs/dbraw/zinc/47/78/86/652477886.db2.gz JAAXEENMMGDSRY-WZYXQFPFSA-N -1 1 381.226 2.064 20 0 GEADMM CC(=O)N1CCC(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000583291306 652480094 /nfs/dbraw/zinc/48/00/94/652480094.db2.gz IEKKIDXUVCQLFU-UHFFFAOYSA-N -1 1 392.253 2.444 20 0 GEADMM Cc1c(Br)cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c(=O)n1C ZINC000583418961 652484117 /nfs/dbraw/zinc/48/41/17/652484117.db2.gz QBOPOTHCEUVTDD-UHFFFAOYSA-N -1 1 378.186 2.087 20 0 GEADMM COCc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1OC ZINC000629333026 652491722 /nfs/dbraw/zinc/49/17/22/652491722.db2.gz NZOKZSVNLHVXOU-UHFFFAOYSA-N -1 1 385.463 2.046 20 0 GEADMM Cc1cc(C)c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(C)c1Br ZINC000629953597 652500097 /nfs/dbraw/zinc/50/00/97/652500097.db2.gz RDNXYOWAICAYBR-UHFFFAOYSA-N -1 1 387.259 2.148 20 0 GEADMM Cc1cc(C)c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(C)c1Br ZINC000629953597 652500099 /nfs/dbraw/zinc/50/00/99/652500099.db2.gz RDNXYOWAICAYBR-UHFFFAOYSA-N -1 1 387.259 2.148 20 0 GEADMM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000584032057 652506579 /nfs/dbraw/zinc/50/65/79/652506579.db2.gz ILEADKBRKZLNSR-UHFFFAOYSA-N -1 1 386.499 2.369 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 ZINC000757645524 652519752 /nfs/dbraw/zinc/51/97/52/652519752.db2.gz MXLVNLNGHJIYGK-UHFFFAOYSA-N -1 1 375.328 2.412 20 0 GEADMM CN(CCc1cn(CC(=O)[O-])nn1)Cc1ccc(Br)cc1Cl ZINC000584475513 652522326 /nfs/dbraw/zinc/52/23/26/652522326.db2.gz LYCIXFLIKZDTNQ-UHFFFAOYSA-N -1 1 387.665 2.453 20 0 GEADMM C[C@H](CN1CCCC1=O)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000584689752 652525790 /nfs/dbraw/zinc/52/57/90/652525790.db2.gz CXMKIYCAOKTCDT-SNVBAGLBSA-N -1 1 392.253 2.444 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)sn1 ZINC000631795688 652534723 /nfs/dbraw/zinc/53/47/23/652534723.db2.gz MAHAXHWSQFROPM-AWEZNQCLSA-N -1 1 381.479 2.048 20 0 GEADMM COc1cc(-c2noc(CCc3cn(C)nn3)n2)cc(Br)c1[O-] ZINC000664849732 652540890 /nfs/dbraw/zinc/54/08/90/652540890.db2.gz GOQILKGLICSHFE-UHFFFAOYSA-N -1 1 380.202 2.127 20 0 GEADMM CC(C)(C(N)=O)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000665449468 652552796 /nfs/dbraw/zinc/55/27/96/652552796.db2.gz UHYVLOIXXGZZEQ-UHFFFAOYSA-N -1 1 380.036 2.367 20 0 GEADMM O=C(N[C@@H]1CCNC(=O)CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000665660163 652556819 /nfs/dbraw/zinc/55/68/19/652556819.db2.gz JDQRQBMUYMDBMD-VIFPVBQESA-N -1 1 378.226 2.101 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000632362614 652558695 /nfs/dbraw/zinc/55/86/95/652558695.db2.gz LYZSRUXCHWQILX-HQJQHLMTSA-N -1 1 381.401 2.471 20 0 GEADMM CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)CC(C)C 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CN(Cc1ccc(Br)s1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908701267 654638258 /nfs/dbraw/zinc/63/82/58/654638258.db2.gz XLUWTQLGNCGBNO-SNVBAGLBSA-N -1 1 375.288 2.266 20 0 GEADMM Cc1ccn(C[C@@](C)(O)C(=O)Nc2cccc([O-])c2Br)c(=O)c1 ZINC000908708466 654638277 /nfs/dbraw/zinc/63/82/77/654638277.db2.gz UWLKPBJEEVYXMU-MRXNPFEDSA-N -1 1 381.226 2.015 20 0 GEADMM CC(C)[C@H](C(=O)Nc1cccc([O-])c1Br)N1CCCS1(=O)=O ZINC000908709835 654638564 /nfs/dbraw/zinc/63/85/64/654638564.db2.gz VAIXJDBPQVBDHH-CYBMUJFWSA-N -1 1 391.287 2.153 20 0 GEADMM O=C(Nc1cccc([O-])c1Br)c1cc(N2CCOCC2)ncn1 ZINC000908709220 654638633 /nfs/dbraw/zinc/63/86/33/654638633.db2.gz CSPMXHRMVRIEDX-UHFFFAOYSA-N -1 1 379.214 2.034 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000908780323 654639975 /nfs/dbraw/zinc/63/99/75/654639975.db2.gz WXNYTRAMBOILTJ-ABAIWWIYSA-N -1 1 381.270 2.349 20 0 GEADMM C[C@@](NC(=O)[C@H]1CCc2[nH]cnc2C1)(C(=O)[O-])c1cccc(Br)c1 ZINC000909323608 654660177 /nfs/dbraw/zinc/66/01/77/654660177.db2.gz RNXVMTUEXORSRG-BTDLBPIBSA-N -1 1 392.253 2.393 20 0 GEADMM CN(CC(=O)NCc1ccc(C(=O)[O-])cc1Br)[C@@H]1CCSC1 ZINC000909673550 654670987 /nfs/dbraw/zinc/67/09/87/654670987.db2.gz UZJCVPKWNMVIIL-GFCCVEGCSA-N -1 1 387.299 2.201 20 0 GEADMM COc1ccc([C@H](NC(=O)[C@@H]2CCCCN2C)C(=O)[O-])cc1Br ZINC000909773355 654675117 /nfs/dbraw/zinc/67/51/17/654675117.db2.gz BLQDDGSCRZJLBL-JSGCOSHPSA-N -1 1 385.258 2.184 20 0 GEADMM O=C(COC(=O)c1cc(Cl)cc(Cl)c1[O-])N1CCC2(CC1)OCCO2 ZINC000909863855 654680269 /nfs/dbraw/zinc/68/02/69/654680269.db2.gz ZKCQIHJGRJBNSC-UHFFFAOYSA-N -1 1 390.219 2.221 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000910172352 654690360 /nfs/dbraw/zinc/69/03/60/654690360.db2.gz AXDQLSLSASYKCD-NHYWBVRUSA-N -1 1 389.279 2.424 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000910174131 654690561 /nfs/dbraw/zinc/69/05/61/654690561.db2.gz QTEKPTHHROJOPU-ZDUSSCGKSA-N -1 1 395.297 2.488 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000910355328 654697875 /nfs/dbraw/zinc/69/78/75/654697875.db2.gz RIDHYWGFABQRPZ-HYEYJGRESA-N -1 1 393.281 2.000 20 0 GEADMM COC(=O)c1ccc(Br)c(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000930284312 654704152 /nfs/dbraw/zinc/70/41/52/654704152.db2.gz VBJMENGHEWIWJH-UHFFFAOYSA-N -1 1 395.257 2.439 20 0 GEADMM O=C([N-]Cc1ncc2c(n1)CCOC2)C(F)(F)c1ncccc1Br ZINC000911879475 654735014 /nfs/dbraw/zinc/73/50/14/654735014.db2.gz RXIBMBWUSUQQNV-UHFFFAOYSA-N -1 1 399.195 2.115 20 0 GEADMM O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)c1cc(Br)ccc1[O-] ZINC000911985792 654738799 /nfs/dbraw/zinc/73/87/99/654738799.db2.gz KFLJTORVIYZCEQ-HNNXBMFYSA-N -1 1 384.270 2.452 20 0 GEADMM COC(=O)[C@@](C)(CCF)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000912520016 654757876 /nfs/dbraw/zinc/75/78/76/654757876.db2.gz TZUYAFWVROAREO-GFCCVEGCSA-N -1 1 383.164 2.343 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000912527884 654758347 /nfs/dbraw/zinc/75/83/47/654758347.db2.gz IVWQYRTVDUFRKT-MRVPVSSYSA-N -1 1 377.344 2.255 20 0 GEADMM CSCC[C@H](NC(=O)c1cc(F)c(Br)cc1F)c1nn[n-]n1 ZINC000912858243 654771589 /nfs/dbraw/zinc/77/15/89/654771589.db2.gz HVSOVFCTCZPHNW-JTQLQIEISA-N -1 1 392.229 2.465 20 0 GEADMM CSCC[C@H](NC(=O)Cc1ccc(Br)c(F)c1)c1nn[n-]n1 ZINC000912861798 654771948 /nfs/dbraw/zinc/77/19/48/654771948.db2.gz YFAQYFOCEKHQMV-NSHDSACASA-N -1 1 388.266 2.254 20 0 GEADMM O=C([N-]N1CC(=O)NC1=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000932882405 654793408 /nfs/dbraw/zinc/79/34/08/654793408.db2.gz PZFJYWNMBHXACH-VIFPVBQESA-N -1 1 385.129 2.363 20 0 GEADMM CC[C@@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Br)cc1 ZINC000913493168 654795770 /nfs/dbraw/zinc/79/57/70/654795770.db2.gz FXAPPEFNOUALLG-OLZOCXBDSA-N -1 1 380.246 2.056 20 0 GEADMM CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494349 654795782 /nfs/dbraw/zinc/79/57/82/654795782.db2.gz DWGUWUORFZDITR-OCCSQVGLSA-N -1 1 394.273 2.131 20 0 GEADMM O=C(c1csc(-c2ccccc2Cl)n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495492 654796205 /nfs/dbraw/zinc/79/62/05/654796205.db2.gz YSHLYWJWYLDIDG-LBPRGKRZSA-N -1 1 376.829 2.190 20 0 GEADMM O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913743625 654807223 /nfs/dbraw/zinc/80/72/23/654807223.db2.gz DMEPOHPFXUVECJ-UHFFFAOYSA-N -1 1 389.257 2.392 20 0 GEADMM CCCCc1nc(C)c(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000913781293 654809071 /nfs/dbraw/zinc/80/90/71/654809071.db2.gz ISFUVEGWPZRVAQ-UHFFFAOYSA-N -1 1 377.432 2.474 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CCO)C2CC2)c1F ZINC000914175825 654832538 /nfs/dbraw/zinc/83/25/38/654832538.db2.gz MWXUVACMNJGICY-SNVBAGLBSA-N -1 1 382.251 2.036 20 0 GEADMM CC(C)[C@H](CCO)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914193635 654834261 /nfs/dbraw/zinc/83/42/61/654834261.db2.gz HOSGLZDYRBSNLZ-MYODQAERSA-N -1 1 388.433 2.275 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c1F ZINC000914196937 654834529 /nfs/dbraw/zinc/83/45/29/654834529.db2.gz INGZSPWSWOHTIA-SCZZXKLOSA-N -1 1 382.251 2.036 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c1F ZINC000914196935 654834558 /nfs/dbraw/zinc/83/45/58/654834558.db2.gz INGZSPWSWOHTIA-PSASIEDQSA-N -1 1 382.251 2.036 20 0 GEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CCO1 ZINC000914318719 654844926 /nfs/dbraw/zinc/84/49/26/654844926.db2.gz WWRIGPCMNAYLQE-HFXCSBFXSA-N -1 1 386.417 2.435 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)N(C)c1ccccc1 ZINC000915876046 654881523 /nfs/dbraw/zinc/88/15/23/654881523.db2.gz IKTGLLMQUWOGBT-NSHDSACASA-N -1 1 382.463 2.328 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCn3ccnc32)c1F ZINC000915992591 654884422 /nfs/dbraw/zinc/88/44/22/654884422.db2.gz PJPOGODVTRLKHM-VIFPVBQESA-N -1 1 390.234 2.217 20 0 GEADMM CN(CCCC(=O)Nc1nc(Br)ccc1[O-])C(=O)c1ccncc1 ZINC000935594073 654902863 /nfs/dbraw/zinc/90/28/63/654902863.db2.gz CWCOTGAWSQBEGX-UHFFFAOYSA-N -1 1 393.241 2.436 20 0 GEADMM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NS(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001465107337 804088739 /nfs/dbraw/zinc/08/87/39/804088739.db2.gz LWZJXIAPPQUORD-RCCFBDPRSA-N -1 1 394.537 2.242 20 0 GEADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1cccc(Br)c1 ZINC000007230212 531537837 /nfs/dbraw/zinc/53/78/37/531537837.db2.gz GYKNQKHFCTUOIT-UHFFFAOYSA-N -1 1 380.227 2.430 20 0 GEADMM CC[N@H+](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)C1CC1 ZINC000152953371 531579775 /nfs/dbraw/zinc/57/97/75/531579775.db2.gz PYWRXNQOKGVRTD-UHFFFAOYSA-N -1 1 389.880 2.343 20 0 GEADMM CCc1nc(S(=O)(=O)Cc2nc(-c3cccc(Br)c3)no2)n[n-]1 ZINC000153135675 531589871 /nfs/dbraw/zinc/58/98/71/531589871.db2.gz ZIEVKRGPIZHXSB-UHFFFAOYSA-N -1 1 398.242 2.154 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000153919138 531613105 /nfs/dbraw/zinc/61/31/05/531613105.db2.gz TUNZIFJWZKCIEL-CYBMUJFWSA-N -1 1 384.841 2.277 20 0 GEADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000026163849 531617994 /nfs/dbraw/zinc/61/79/94/531617994.db2.gz ZRHVONJHAWIVMJ-UHFFFAOYSA-N -1 1 388.417 2.206 20 0 GEADMM CN(C)c1cccc(CNC(=O)c2cc(I)ccc2[O-])n1 ZINC000154881289 531640266 /nfs/dbraw/zinc/64/02/66/531640266.db2.gz XPBQLSCGIXBAFJ-UHFFFAOYSA-N -1 1 397.216 2.388 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000032585974 531653069 /nfs/dbraw/zinc/65/30/69/531653069.db2.gz VGXMVOSSVKZRHQ-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM COc1cc(NC(=O)CSCc2ccccn2)ccc1[N-]S(C)(=O)=O ZINC000048320674 531727725 /nfs/dbraw/zinc/72/77/25/531727725.db2.gz UCEVZFPLHDYYKE-UHFFFAOYSA-N -1 1 381.479 2.334 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(C)s1 ZINC000158279535 531772925 /nfs/dbraw/zinc/77/29/25/531772925.db2.gz ILQZIKKNTBMRLO-ZDUSSCGKSA-N -1 1 378.475 2.371 20 0 GEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC000055595752 531796766 /nfs/dbraw/zinc/79/67/66/531796766.db2.gz ZTWOJAOVXPDNMD-UHFFFAOYSA-N -1 1 375.859 2.065 20 0 GEADMM Cc1ccc(-c2cc(C(=O)Nc3nnc([N-]S(C)(=O)=O)s3)on2)cc1 ZINC000515876294 531813975 /nfs/dbraw/zinc/81/39/75/531813975.db2.gz SGIGYUDFKPJBAP-UHFFFAOYSA-N -1 1 379.423 2.125 20 0 GEADMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2n(C)c1=O ZINC000064477754 531866971 /nfs/dbraw/zinc/86/69/71/531866971.db2.gz IIGQOHVBCGQSKB-UHFFFAOYSA-N -1 1 396.266 2.440 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000067660016 531887549 /nfs/dbraw/zinc/88/75/49/531887549.db2.gz NSPSFZQBJSBIOT-UHFFFAOYSA-N -1 1 387.410 2.118 20 0 GEADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1 ZINC000171789114 531917681 /nfs/dbraw/zinc/91/76/81/531917681.db2.gz URIUTBXIDBZKFY-UHFFFAOYSA-N -1 1 383.792 2.264 20 0 GEADMM Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nc(CS(C)(=O)=O)no2)s1 ZINC000172405391 531951625 /nfs/dbraw/zinc/95/16/25/531951625.db2.gz HPOABVZJSZAHQR-UHFFFAOYSA-N -1 1 378.435 2.298 20 0 GEADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CC[C@H](O)C1 ZINC000119801053 531973374 /nfs/dbraw/zinc/97/33/74/531973374.db2.gz INDBFTFQAKFDNI-HNNXBMFYSA-N -1 1 380.853 2.348 20 0 GEADMM O=S(=O)([N-]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000173024172 531980562 /nfs/dbraw/zinc/98/05/62/531980562.db2.gz SZSCSFFXGFFSCH-SECBINFHSA-N -1 1 395.269 2.490 20 0 GEADMM C[C@H](CO)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000120630579 531985798 /nfs/dbraw/zinc/98/57/98/531985798.db2.gz QJIXAUBRKPJVEC-LBPRGKRZSA-N -1 1 382.869 2.499 20 0 GEADMM CCc1n[nH]c(=O)c(CNC(=O)c2ccc(Br)cc2[O-])c1CC ZINC000121027756 532009932 /nfs/dbraw/zinc/00/99/32/532009932.db2.gz GTOUKCRTWCZUCY-UHFFFAOYSA-N -1 1 380.242 2.293 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3ccsc3C2)c(F)c1 ZINC000121669139 532040771 /nfs/dbraw/zinc/04/07/71/532040771.db2.gz CCICQHNDHXESGI-UHFFFAOYSA-N -1 1 390.483 2.006 20 0 GEADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000122821530 532083981 /nfs/dbraw/zinc/08/39/81/532083981.db2.gz CHRNZBMQWJUMGP-XMMPIXPASA-N -1 1 378.475 2.455 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2OC(F)F)o1 ZINC000175265874 532096508 /nfs/dbraw/zinc/09/65/08/532096508.db2.gz KHFQSMLEUOTVIA-UHFFFAOYSA-N -1 1 394.783 2.373 20 0 GEADMM C[C@H](CN(C)C(=O)Cc1c[nH]c2cc(Br)ccc12)c1nn[n-]n1 ZINC000124344088 532118648 /nfs/dbraw/zinc/11/86/48/532118648.db2.gz HGEXIIRSWUPKGY-SECBINFHSA-N -1 1 377.246 2.248 20 0 GEADMM CCC[C@@H](NC(=O)c1ccc(C)c(I)c1)c1nn[n-]n1 ZINC000176750948 532148951 /nfs/dbraw/zinc/14/89/51/532148951.db2.gz GKQMKWAVQHBOFM-LLVKDONJSA-N -1 1 385.209 2.384 20 0 GEADMM O=C(NCCNC(=O)c1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC000177134717 532162884 /nfs/dbraw/zinc/16/28/84/532162884.db2.gz SHILHHUVCKXWAG-UHFFFAOYSA-N -1 1 381.201 2.454 20 0 GEADMM CC(C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000128472012 532164294 /nfs/dbraw/zinc/16/42/94/532164294.db2.gz NAUQVYJQQRWBBD-UHFFFAOYSA-N -1 1 376.360 2.143 20 0 GEADMM CC(C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000128472012 532164298 /nfs/dbraw/zinc/16/42/98/532164298.db2.gz NAUQVYJQQRWBBD-UHFFFAOYSA-N -1 1 376.360 2.143 20 0 GEADMM COCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000129079316 532172128 /nfs/dbraw/zinc/17/21/28/532172128.db2.gz GHRHKXWCUHGPGZ-ZETCQYMHSA-N -1 1 397.309 2.086 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(F)cccc1Cl)N1CCc2sccc2C1 ZINC000131504082 532199435 /nfs/dbraw/zinc/19/94/35/532199435.db2.gz BAUWDRRYDMYQDV-UHFFFAOYSA-N -1 1 388.873 2.404 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)co1 ZINC000179379792 532229785 /nfs/dbraw/zinc/22/97/85/532229785.db2.gz GPSQIXHSCVTRFX-JTQLQIEISA-N -1 1 379.463 2.158 20 0 GEADMM O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccc(Br)c([O-])c1 ZINC000133269595 532230589 /nfs/dbraw/zinc/23/05/89/532230589.db2.gz AWQMHZCZGHKHPP-LBPRGKRZSA-N -1 1 384.201 2.464 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cc2Br)c1 ZINC000179537603 532234572 /nfs/dbraw/zinc/23/45/72/532234572.db2.gz OMOYXMSVYDBNDT-UHFFFAOYSA-N -1 1 389.202 2.194 20 0 GEADMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)c([O-])c1 ZINC000133443364 532235264 /nfs/dbraw/zinc/23/52/64/532235264.db2.gz OOUNAXZTCOMGAG-SECBINFHSA-N -1 1 381.148 2.048 20 0 GEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000179765941 532243133 /nfs/dbraw/zinc/24/31/33/532243133.db2.gz ZVDFPWRXOOMAOC-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM Cc1nsc(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)n1 ZINC000133533711 532237831 /nfs/dbraw/zinc/23/78/31/532237831.db2.gz GODMUZVSTSBAHT-UHFFFAOYSA-N -1 1 383.271 2.277 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1nn[n-]n1 ZINC000136721521 532286563 /nfs/dbraw/zinc/28/65/63/532286563.db2.gz MTXAABITJFPALV-GFCCVEGCSA-N -1 1 391.229 2.075 20 0 GEADMM C[C@H](NC(=O)CCn1c(-c2cccs2)n[n-]c1=S)C(=O)NC(C)(C)C ZINC000143693409 532296716 /nfs/dbraw/zinc/29/67/16/532296716.db2.gz OCJYJWAEJMXYSJ-JTQLQIEISA-N -1 1 381.527 2.479 20 0 GEADMM Cc1ccc(S(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000186352166 532340617 /nfs/dbraw/zinc/34/06/17/532340617.db2.gz QUCHPPYXKAXVAD-LBPRGKRZSA-N -1 1 389.445 2.414 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)N1CCC[C@@H](C)C1 ZINC000184915470 532335720 /nfs/dbraw/zinc/33/57/20/532335720.db2.gz SUJYDYLUWTZGMP-MNOVXSKESA-N -1 1 376.425 2.062 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CN1CCOCC1 ZINC000188001529 532346261 /nfs/dbraw/zinc/34/62/61/532346261.db2.gz MFUJPUNVJNQQIT-SNVBAGLBSA-N -1 1 385.288 2.379 20 0 GEADMM CO[C@H]1CN(C(=O)c2cc(I)ccc2[O-])CC[C@H]1C ZINC000189822169 532353866 /nfs/dbraw/zinc/35/38/66/532353866.db2.gz JRLRCZBNNNWDQQ-RNCFNFMXSA-N -1 1 375.206 2.494 20 0 GEADMM CCCN(CC(=O)OC)C(=O)c1cc(I)ccc1[O-] ZINC000189875651 532353914 /nfs/dbraw/zinc/35/39/14/532353914.db2.gz MNPOPEVEHVHBBI-UHFFFAOYSA-N -1 1 377.178 2.022 20 0 GEADMM O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)c1nc2ncncc2[n-]1 ZINC000187470725 532344533 /nfs/dbraw/zinc/34/45/33/532344533.db2.gz OJDYLAMIHSBVJS-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)c1nc2cncnc2[n-]1 ZINC000187470725 532344534 /nfs/dbraw/zinc/34/45/34/532344534.db2.gz OJDYLAMIHSBVJS-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)c1nc2c[n-]cnc-2n1 ZINC000187470725 532344535 /nfs/dbraw/zinc/34/45/35/532344535.db2.gz OJDYLAMIHSBVJS-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM CCOc1cc(-c2noc(CS(=O)(=O)CCOC)n2)cc(Cl)c1[O-] ZINC000278045163 532372378 /nfs/dbraw/zinc/37/23/78/532372378.db2.gz KWEWLZDAJZPJLH-UHFFFAOYSA-N -1 1 376.818 2.056 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)COc2ccc(F)cc2)c(F)c1 ZINC000425202884 532373712 /nfs/dbraw/zinc/37/37/12/532373712.db2.gz MYFWQSLIMJGVEA-LBPRGKRZSA-N -1 1 375.368 2.131 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-]C2CCC(CS(C)(=O)=O)CC2)c(F)c1 ZINC000425228148 532375988 /nfs/dbraw/zinc/37/59/88/532375988.db2.gz GVKSUVJFAYQMKL-UHFFFAOYSA-N -1 1 381.466 2.155 20 0 GEADMM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000425232649 532378457 /nfs/dbraw/zinc/37/84/57/532378457.db2.gz UXNBKABVHLKOGE-UHFFFAOYSA-N -1 1 378.328 2.092 20 0 GEADMM Cn1ncc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1C(F)F ZINC000677611050 532379581 /nfs/dbraw/zinc/37/95/81/532379581.db2.gz UQEOMCFQAZLLLI-UHFFFAOYSA-N -1 1 376.385 2.280 20 0 GEADMM O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425318024 532383401 /nfs/dbraw/zinc/38/34/01/532383401.db2.gz GZHCCUFHGKOGAF-ZDUSSCGKSA-N -1 1 394.225 2.247 20 0 GEADMM O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318024 532383406 /nfs/dbraw/zinc/38/34/06/532383406.db2.gz GZHCCUFHGKOGAF-ZDUSSCGKSA-N -1 1 394.225 2.247 20 0 GEADMM O=S(=O)([N-][C@H]1CCc2nnnn2CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000516444771 532386358 /nfs/dbraw/zinc/38/63/58/532386358.db2.gz CXMPQXLNQQKQOC-QMMMGPOBSA-N -1 1 396.687 2.317 20 0 GEADMM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)cs1 ZINC000463977922 532386430 /nfs/dbraw/zinc/38/64/30/532386430.db2.gz CKZPILSHIUAOCF-SNVBAGLBSA-N -1 1 387.483 2.014 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc(F)cc3OC)s2)o1 ZINC000590964949 532393748 /nfs/dbraw/zinc/39/37/48/532393748.db2.gz FSTNGNDODNALML-UHFFFAOYSA-N -1 1 385.398 2.197 20 0 GEADMM Cc1nn2cc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)cnc2c1Cl ZINC000559840831 532406446 /nfs/dbraw/zinc/40/64/46/532406446.db2.gz OYKIFIBAUCEMNJ-UHFFFAOYSA-N -1 1 380.739 2.234 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)c1ccc(F)cc1 ZINC000625122020 532411632 /nfs/dbraw/zinc/41/16/32/532411632.db2.gz OYZXITQKYQWFBG-SNVBAGLBSA-N -1 1 383.323 2.035 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)o1 ZINC000465306294 532413847 /nfs/dbraw/zinc/41/38/47/532413847.db2.gz KOTSPEPYEMMCJI-UHFFFAOYSA-N -1 1 397.400 2.328 20 0 GEADMM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)CO2 ZINC000625349721 532418708 /nfs/dbraw/zinc/41/87/08/532418708.db2.gz POUIWBGPKZRBIR-LLVKDONJSA-N -1 1 383.267 2.435 20 0 GEADMM O=C([N-]CC1CCN(C(=O)c2csc(NC3CC3)n2)CC1)C(F)(F)F ZINC000281835342 532436837 /nfs/dbraw/zinc/43/68/37/532436837.db2.gz WTLYUUCGLNFMGB-UHFFFAOYSA-N -1 1 376.404 2.248 20 0 GEADMM CC(C)CN1C[C@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCN2C1=O ZINC000427811519 532432973 /nfs/dbraw/zinc/43/29/73/532432973.db2.gz MUYWTARSGVWQCL-CYBMUJFWSA-N -1 1 396.285 2.373 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O)c1ccccc1 ZINC000295322315 532433848 /nfs/dbraw/zinc/43/38/48/532433848.db2.gz OHJRREDIKWSWGV-INIZCTEOSA-N -1 1 384.479 2.188 20 0 GEADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)o1 ZINC000592038133 532435213 /nfs/dbraw/zinc/43/52/13/532435213.db2.gz UPNXOVOAVZAEFL-UHFFFAOYSA-N -1 1 378.328 2.349 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)o1 ZINC000518276675 532438503 /nfs/dbraw/zinc/43/85/03/532438503.db2.gz TVERGSICAWXTAW-UHFFFAOYSA-N -1 1 396.475 2.443 20 0 GEADMM CC(C)[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)C(=O)[O-] ZINC000428070940 532443115 /nfs/dbraw/zinc/44/31/15/532443115.db2.gz ONBNLXZHVBODAY-JTQLQIEISA-N -1 1 387.177 2.007 20 0 GEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000518842658 532447848 /nfs/dbraw/zinc/44/78/48/532447848.db2.gz WWGHWVIONSIZNR-UHFFFAOYSA-N -1 1 382.463 2.370 20 0 GEADMM CC(C)CCOCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000562091665 532458239 /nfs/dbraw/zinc/45/82/39/532458239.db2.gz NNVTWTQEDYXFBD-UHFFFAOYSA-N -1 1 397.324 2.451 20 0 GEADMM Cc1ccc(F)c(N2CCC([N-]S(=O)(=O)c3ncn(C)c3Cl)CC2)c1 ZINC000373743602 532466577 /nfs/dbraw/zinc/46/65/77/532466577.db2.gz WXFVKDSMFFRLDO-UHFFFAOYSA-N -1 1 386.880 2.468 20 0 GEADMM C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000195113513 532468615 /nfs/dbraw/zinc/46/86/15/532468615.db2.gz JBWQPRJDBRYVJD-JTQLQIEISA-N -1 1 382.873 2.346 20 0 GEADMM C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113513 532468624 /nfs/dbraw/zinc/46/86/24/532468624.db2.gz JBWQPRJDBRYVJD-JTQLQIEISA-N -1 1 382.873 2.346 20 0 GEADMM CC1CCN(C(=O)CS(=O)(=O)c2nnc(-c3ccc(Cl)cc3)[n-]2)CC1 ZINC000195112178 532469048 /nfs/dbraw/zinc/46/90/48/532469048.db2.gz YBXBFZNVPWEOFE-UHFFFAOYSA-N -1 1 382.873 2.157 20 0 GEADMM CC1CCN(C(=O)CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)CC1 ZINC000195112178 532469055 /nfs/dbraw/zinc/46/90/55/532469055.db2.gz YBXBFZNVPWEOFE-UHFFFAOYSA-N -1 1 382.873 2.157 20 0 GEADMM C[C@H]1CCCCN1C(=O)CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195112667 532469123 /nfs/dbraw/zinc/46/91/23/532469123.db2.gz QUFRLJNBSHHXCA-NSHDSACASA-N -1 1 382.873 2.300 20 0 GEADMM C[C@H]1CCCCN1C(=O)CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195112667 532469129 /nfs/dbraw/zinc/46/91/29/532469129.db2.gz QUFRLJNBSHHXCA-NSHDSACASA-N -1 1 382.873 2.300 20 0 GEADMM O=C(NCCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1)C1CCCC1 ZINC000195115528 532470270 /nfs/dbraw/zinc/47/02/70/532470270.db2.gz HJPGIDOBZCVJOS-UHFFFAOYSA-N -1 1 382.873 2.205 20 0 GEADMM O=C(NCCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1)C1CCCC1 ZINC000195115528 532470277 /nfs/dbraw/zinc/47/02/77/532470277.db2.gz HJPGIDOBZCVJOS-UHFFFAOYSA-N -1 1 382.873 2.205 20 0 GEADMM Cc1cc(Br)sc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000651573277 532478064 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GEADMM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272237527 532813583 /nfs/dbraw/zinc/81/35/83/532813583.db2.gz QHRKVQXJSYTCIZ-UHFFFAOYSA-N -1 1 392.264 2.388 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccc(C)cc3)C2=O)sc1C ZINC000330146168 532814612 /nfs/dbraw/zinc/81/46/12/532814612.db2.gz LJYUFWYIANYCFI-HNNXBMFYSA-N -1 1 379.507 2.148 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1 ZINC000272465988 532816023 /nfs/dbraw/zinc/81/60/23/532816023.db2.gz ORTXNTNIPVJZBB-UHFFFAOYSA-N -1 1 375.353 2.252 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c(C)c1F ZINC000272860168 532818547 /nfs/dbraw/zinc/81/85/47/532818547.db2.gz SEYWZTAXEUPBNJ-UHFFFAOYSA-N -1 1 387.454 2.488 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(OC)c1 ZINC000330515146 532820903 /nfs/dbraw/zinc/82/09/03/532820903.db2.gz DIASRRXKNRKAON-STQMWFEESA-N -1 1 390.527 2.123 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(Cl)c(OC)c1 ZINC000414399690 532824842 /nfs/dbraw/zinc/82/48/42/532824842.db2.gz VRQFZIIZWZPOQG-JTQLQIEISA-N -1 1 387.845 2.316 20 0 GEADMM C[C@H](CN(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1nn[n-]n1 ZINC000273596982 532827409 /nfs/dbraw/zinc/82/74/09/532827409.db2.gz WPXURIUIFDUADJ-SECBINFHSA-N -1 1 390.245 2.228 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(F)c(Br)c2)C1=O ZINC000414652959 532834078 /nfs/dbraw/zinc/83/40/78/532834078.db2.gz HINZRMAEEBCPPE-ZIAGYGMSSA-N -1 1 387.249 2.388 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000414652153 532834037 /nfs/dbraw/zinc/83/40/37/532834037.db2.gz GZTSASSKDCAEPN-UONOGXRCSA-N -1 1 387.249 2.388 20 0 GEADMM CN1CC[C@H](N2CCC(NC(=O)c3c([O-])cc(Cl)cc3Cl)CC2)C1=O ZINC000332351574 532852627 /nfs/dbraw/zinc/85/26/27/532852627.db2.gz AZKOMYNBRNPSTE-ZDUSSCGKSA-N -1 1 386.279 2.124 20 0 GEADMM NC(=O)[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000289359010 532852996 /nfs/dbraw/zinc/85/29/96/532852996.db2.gz INPYUFJPEJVNGK-NSHDSACASA-N -1 1 378.226 2.183 20 0 GEADMM CCN1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1c1ncc[nH]1 ZINC000332369720 532853406 /nfs/dbraw/zinc/85/34/06/532853406.db2.gz WMYRQCWDOPITBX-ZDUSSCGKSA-N -1 1 379.258 2.397 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(OC)cc2Br)s1 ZINC000289446894 532855211 /nfs/dbraw/zinc/85/52/11/532855211.db2.gz FOWNQUQVMZQBCS-UHFFFAOYSA-N -1 1 392.300 2.350 20 0 GEADMM Cc1ccc(CS(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289517207 532857426 /nfs/dbraw/zinc/85/74/26/532857426.db2.gz LEHQDWHWJSYIKB-CQSZACIVSA-N -1 1 378.416 2.215 20 0 GEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2sccc2Br)no1 ZINC000289602575 532860597 /nfs/dbraw/zinc/86/05/97/532860597.db2.gz QKGYOQHNRIJETH-SSDOTTSWSA-N -1 1 396.288 2.470 20 0 GEADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)NC1CCC2(CC1)OCCO2 ZINC000289661522 532862340 /nfs/dbraw/zinc/86/23/40/532862340.db2.gz YAFGDPZIEDZOSB-UHFFFAOYSA-N -1 1 375.397 2.014 20 0 GEADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000289758838 532864675 /nfs/dbraw/zinc/86/46/75/532864675.db2.gz FVYZXTYFWYKRCR-LBPRGKRZSA-N -1 1 392.253 2.444 20 0 GEADMM O=C(N[C@@H]1CCN(CC(F)F)C1)c1ccc(I)c([O-])c1 ZINC000416351450 532871751 /nfs/dbraw/zinc/87/17/51/532871751.db2.gz MUZARQWJFUYYKI-SECBINFHSA-N -1 1 396.175 2.066 20 0 GEADMM O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000275343125 532873268 /nfs/dbraw/zinc/87/32/68/532873268.db2.gz VKXCQNTZYZJIAU-ZETCQYMHSA-N -1 1 394.140 2.114 20 0 GEADMM CN(CCN1CCOCC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000290176922 532874586 /nfs/dbraw/zinc/87/45/86/532874586.db2.gz SMWJYXOFACNOPY-UHFFFAOYSA-N -1 1 394.269 2.107 20 0 GEADMM COC1(C)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000290268988 532876265 /nfs/dbraw/zinc/87/62/65/532876265.db2.gz BTNXSSNBXSBNCQ-UHFFFAOYSA-N -1 1 395.308 2.299 20 0 GEADMM CCSCc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)no1 ZINC000290465800 532881732 /nfs/dbraw/zinc/88/17/32/532881732.db2.gz VRZBXIMSOPEJRE-JTQLQIEISA-N -1 1 379.404 2.458 20 0 GEADMM CC1(C)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349529341 532881961 /nfs/dbraw/zinc/88/19/61/532881961.db2.gz WDZCZCGIXWWYBS-UHFFFAOYSA-N -1 1 395.934 2.071 20 0 GEADMM CC1(C)CCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349594173 532883558 /nfs/dbraw/zinc/88/35/58/532883558.db2.gz RUQIUCUVULMTQC-CQSZACIVSA-N -1 1 389.543 2.102 20 0 GEADMM CCN(C1CC(C)(C)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349458590 532881068 /nfs/dbraw/zinc/88/10/68/532881068.db2.gz LVDCROCDHSHUOJ-UHFFFAOYSA-N -1 1 389.543 2.054 20 0 GEADMM CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCSC1 ZINC000290780486 532889503 /nfs/dbraw/zinc/88/95/03/532889503.db2.gz CAZRENKXRQUDBX-SECBINFHSA-N -1 1 383.322 2.236 20 0 GEADMM CCCCN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@H](CC)OC)c1 ZINC000421146823 532888608 /nfs/dbraw/zinc/88/86/08/532888608.db2.gz CPPOLHQECPMOCZ-HNNXBMFYSA-N -1 1 392.543 2.274 20 0 GEADMM Cc1nnc(CCNC(=O)c2c([O-])cnc3c(Br)cccc32)n1C ZINC000290771150 532888788 /nfs/dbraw/zinc/88/87/88/532888788.db2.gz PURFLIPKRVJVRI-UHFFFAOYSA-N -1 1 390.241 2.112 20 0 GEADMM O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000360828404 532891267 /nfs/dbraw/zinc/89/12/67/532891267.db2.gz IYGDCLFDPJDXJM-KWCYVHTRSA-N -1 1 376.258 2.472 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000290911067 532892330 /nfs/dbraw/zinc/89/23/30/532892330.db2.gz GXDITTHQJPKAGL-UHFFFAOYSA-N -1 1 383.373 2.023 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(Cl)n(C)nc2C(C)C)c1 ZINC000290837210 532890664 /nfs/dbraw/zinc/89/06/64/532890664.db2.gz AIFRFPXAMFPZDZ-UHFFFAOYSA-N -1 1 386.861 2.063 20 0 GEADMM Cc1cc(Br)cc2cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)oc21 ZINC000362456066 532895893 /nfs/dbraw/zinc/89/58/93/532895893.db2.gz ZADGSRDJFWGWGU-LBPRGKRZSA-N -1 1 392.213 2.231 20 0 GEADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cnn(CC(F)F)c1 ZINC000276626093 532898817 /nfs/dbraw/zinc/89/88/17/532898817.db2.gz VJJRJDWWENUNAE-UHFFFAOYSA-N -1 1 379.772 2.374 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc(C(=O)[O-])c1Cl ZINC000363940108 532902190 /nfs/dbraw/zinc/90/21/90/532902190.db2.gz SANZRMZSOUPXPL-SNVBAGLBSA-N -1 1 384.845 2.033 20 0 GEADMM Cn1cc(Br)cc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291396145 532901483 /nfs/dbraw/zinc/90/14/83/532901483.db2.gz HCXOTOWAEYRHDX-VIFPVBQESA-N -1 1 396.207 2.318 20 0 GEADMM CC(C)(O)CN(C(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000277049783 532906787 /nfs/dbraw/zinc/90/67/87/532906787.db2.gz NIJYMTIIDZGLFD-UHFFFAOYSA-N -1 1 375.206 2.372 20 0 GEADMM Cc1nc(CCNC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)cs1 ZINC000291720521 532907949 /nfs/dbraw/zinc/90/79/49/532907949.db2.gz QPVLRFJDDVIMPU-BXKDBHETSA-N -1 1 378.420 2.235 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(Br)cc(C(=O)OC)c1)c1nn[n-]n1 ZINC000291907233 532910402 /nfs/dbraw/zinc/91/04/02/532910402.db2.gz KQTBGMGZZSHURK-LLVKDONJSA-N -1 1 382.218 2.020 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(Br)cc2[O-])c(-n2cncn2)n1 ZINC000365029636 532908625 /nfs/dbraw/zinc/90/86/25/532908625.db2.gz SZQPNTNFLVHOSY-UHFFFAOYSA-N -1 1 388.225 2.369 20 0 GEADMM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000292791706 532918681 /nfs/dbraw/zinc/91/86/81/532918681.db2.gz LNZAGGSQXAMQHF-SSDOTTSWSA-N -1 1 394.322 2.484 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@H]([C@H]2CCOC2)C1 ZINC000366654208 532919888 /nfs/dbraw/zinc/91/98/88/532919888.db2.gz LHFDROTVCWODEN-QWRGUYRKSA-N -1 1 387.217 2.495 20 0 GEADMM Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000292976049 532920448 /nfs/dbraw/zinc/92/04/48/532920448.db2.gz LOYFGFQASILRFT-NSHDSACASA-N -1 1 384.445 2.444 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccncc2)s1 ZINC000366764443 532920967 /nfs/dbraw/zinc/92/09/67/532920967.db2.gz VGVYBIYFQKIMQG-UHFFFAOYSA-N -1 1 378.435 2.429 20 0 GEADMM CO[C@@H](C)CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000367038120 532922371 /nfs/dbraw/zinc/92/23/71/532922371.db2.gz XDAZHTXZZXMXBK-ISVAXAHUSA-N -1 1 377.825 2.214 20 0 GEADMM O=C(CCOc1ccccc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000367117968 532922844 /nfs/dbraw/zinc/92/28/44/532922844.db2.gz VZFUSPZWEWTVRQ-LLVKDONJSA-N -1 1 380.246 2.137 20 0 GEADMM C[C@@H](CN(C)C(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nn[n-]n1 ZINC000293400973 532926301 /nfs/dbraw/zinc/92/63/01/532926301.db2.gz FLSLPUOXEPISQR-JTQLQIEISA-N -1 1 390.245 2.024 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c(C(F)(F)F)n1 ZINC000293427906 532926906 /nfs/dbraw/zinc/92/69/06/532926906.db2.gz JDWOGOWXLSNYFH-SNVBAGLBSA-N -1 1 375.372 2.284 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)c(C(F)(F)F)n1 ZINC000293482243 532927469 /nfs/dbraw/zinc/92/74/69/532927469.db2.gz MKWHEQXGJYPZSX-LBPRGKRZSA-N -1 1 377.388 2.231 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(C(F)(F)F)n1 ZINC000293658269 532929941 /nfs/dbraw/zinc/92/99/41/532929941.db2.gz YMQZMQGBFJDAMG-UHFFFAOYSA-N -1 1 394.322 2.393 20 0 GEADMM COC(=O)C(C)(C)c1csc(NC(=O)c2ccc3n[n-]c(=S)n3c2)n1 ZINC000293954642 532933769 /nfs/dbraw/zinc/93/37/69/532933769.db2.gz HYFWROGHGBPOIM-UHFFFAOYSA-N -1 1 377.451 2.177 20 0 GEADMM Cn1c([S-])nnc1CCCNC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000294149496 532936278 /nfs/dbraw/zinc/93/62/78/532936278.db2.gz NGKPWMQFVGXCPW-SNAWJCMRSA-N -1 1 382.902 2.229 20 0 GEADMM O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370857958 532945896 /nfs/dbraw/zinc/94/58/96/532945896.db2.gz AWKWWZAKYPPWMK-NSHDSACASA-N -1 1 392.630 2.139 20 0 GEADMM O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370862840 532945943 /nfs/dbraw/zinc/94/59/43/532945943.db2.gz RZMYRZFFKGRGEV-ZDUSSCGKSA-N -1 1 377.495 2.282 20 0 GEADMM Cc1c2cccc(Br)c2oc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000371699321 532949429 /nfs/dbraw/zinc/94/94/29/532949429.db2.gz FVQKEPKPKMAKLD-LLVKDONJSA-N -1 1 392.213 2.231 20 0 GEADMM CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000436690952 570435872 /nfs/dbraw/zinc/43/58/72/570435872.db2.gz WGYFGRHGSSPWSK-LBPRGKRZSA-N -1 1 390.871 2.373 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000737488510 598839227 /nfs/dbraw/zinc/83/92/27/598839227.db2.gz WIJULSJDUXBFDE-RYUDHWBXSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000737488510 598839228 /nfs/dbraw/zinc/83/92/28/598839228.db2.gz WIJULSJDUXBFDE-RYUDHWBXSA-N -1 1 396.499 2.400 20 0 GEADMM CC[C@@H](Nc1ccccc1)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736367760 598844820 /nfs/dbraw/zinc/84/48/20/598844820.db2.gz CGKHEANERWPOEQ-CQSZACIVSA-N -1 1 398.423 2.449 20 0 GEADMM CCCO[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736489479 598873913 /nfs/dbraw/zinc/87/39/13/598873913.db2.gz VFVWDWJCOWRPRN-GFCCVEGCSA-N -1 1 399.904 2.490 20 0 GEADMM CCCO[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736489479 598873915 /nfs/dbraw/zinc/87/39/15/598873915.db2.gz VFVWDWJCOWRPRN-GFCCVEGCSA-N -1 1 399.904 2.490 20 0 GEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821342277 607254917 /nfs/dbraw/zinc/25/49/17/607254917.db2.gz AIZZCCCWQHNYKS-UHFFFAOYSA-N -1 1 387.421 2.153 20 0 GEADMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)cc21 ZINC000736567875 598948058 /nfs/dbraw/zinc/94/80/58/598948058.db2.gz GIPZCMIDLOBPMX-UHFFFAOYSA-N -1 1 384.465 2.358 20 0 GEADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000736941039 598948312 /nfs/dbraw/zinc/94/83/12/598948312.db2.gz SZIUKBVYBTWQTJ-UHFFFAOYSA-N -1 1 388.409 2.154 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000737225816 598949449 /nfs/dbraw/zinc/94/94/49/598949449.db2.gz SOBWRVSCYVXRGD-UHFFFAOYSA-N -1 1 395.448 2.221 20 0 GEADMM OC[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000738389300 598958765 /nfs/dbraw/zinc/95/87/65/598958765.db2.gz KFHFPQRPYCDEPG-CYBMUJFWSA-N -1 1 379.399 2.212 20 0 GEADMM OC[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000738389300 598958767 /nfs/dbraw/zinc/95/87/67/598958767.db2.gz KFHFPQRPYCDEPG-CYBMUJFWSA-N -1 1 379.399 2.212 20 0 GEADMM FC(F)(F)CN1CC[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737627177 598961043 /nfs/dbraw/zinc/96/10/43/598961043.db2.gz LXBKSTPULJTGBX-SNVBAGLBSA-N -1 1 378.362 2.106 20 0 GEADMM FC(F)(F)CN1CC[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737627177 598961045 /nfs/dbraw/zinc/96/10/45/598961045.db2.gz LXBKSTPULJTGBX-SNVBAGLBSA-N -1 1 378.362 2.106 20 0 GEADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2s1 ZINC000736988799 598986880 /nfs/dbraw/zinc/98/68/80/598986880.db2.gz RWUGFXKABQADQI-UHFFFAOYSA-N -1 1 381.421 2.165 20 0 GEADMM COCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2s1 ZINC000736988799 598986881 /nfs/dbraw/zinc/98/68/81/598986881.db2.gz RWUGFXKABQADQI-UHFFFAOYSA-N -1 1 381.421 2.165 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736118861 598992287 /nfs/dbraw/zinc/99/22/87/598992287.db2.gz KXKWWPJRUHZWDE-LLVKDONJSA-N -1 1 392.423 2.037 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736118861 598992289 /nfs/dbraw/zinc/99/22/89/598992289.db2.gz KXKWWPJRUHZWDE-LLVKDONJSA-N -1 1 392.423 2.037 20 0 GEADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(SC)cc1 ZINC000736912287 599003240 /nfs/dbraw/zinc/00/32/40/599003240.db2.gz PPCMQPHIIBAGCW-HNNXBMFYSA-N -1 1 398.448 2.018 20 0 GEADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(SC)cc1 ZINC000736912287 599003242 /nfs/dbraw/zinc/00/32/42/599003242.db2.gz PPCMQPHIIBAGCW-HNNXBMFYSA-N -1 1 398.448 2.018 20 0 GEADMM COC(=O)c1sc2ccccc2c1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736958170 599029454 /nfs/dbraw/zinc/02/94/54/599029454.db2.gz ZZODMDBTHMWPNJ-UHFFFAOYSA-N -1 1 394.416 2.193 20 0 GEADMM COC(=O)c1sc2ccccc2c1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736958170 599029456 /nfs/dbraw/zinc/02/94/56/599029456.db2.gz ZZODMDBTHMWPNJ-UHFFFAOYSA-N -1 1 394.416 2.193 20 0 GEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1C(=O)OC(C)(C)C ZINC000820776978 599043687 /nfs/dbraw/zinc/04/36/87/599043687.db2.gz OLXJQESOOJMCBU-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1C(=O)OC(C)(C)C ZINC000820776978 599043690 /nfs/dbraw/zinc/04/36/90/599043690.db2.gz OLXJQESOOJMCBU-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000737486318 599083508 /nfs/dbraw/zinc/08/35/08/599083508.db2.gz DCXDKMKTMQUIIH-YPMHNXCESA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000737486318 599083511 /nfs/dbraw/zinc/08/35/11/599083511.db2.gz DCXDKMKTMQUIIH-YPMHNXCESA-N -1 1 382.472 2.106 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000823521276 599096074 /nfs/dbraw/zinc/09/60/74/599096074.db2.gz UTVWFANSRHUMTM-GZBFAFLISA-N -1 1 395.854 2.484 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000823521276 599096076 /nfs/dbraw/zinc/09/60/76/599096076.db2.gz UTVWFANSRHUMTM-GZBFAFLISA-N -1 1 395.854 2.484 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Br ZINC000738217992 599133066 /nfs/dbraw/zinc/13/30/66/599133066.db2.gz CAXZNUWDFZJPRZ-UHFFFAOYSA-N -1 1 388.181 2.064 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Br ZINC000738217992 599133068 /nfs/dbraw/zinc/13/30/68/599133068.db2.gz CAXZNUWDFZJPRZ-UHFFFAOYSA-N -1 1 388.181 2.064 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@@H](c3ccccc3C)C2)c(-c2nn[n-]n2)c1C ZINC000737423365 599143552 /nfs/dbraw/zinc/14/35/52/599143552.db2.gz PHBQDETZQDKSES-MRXNPFEDSA-N -1 1 396.451 2.397 20 0 GEADMM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823161038 599186634 /nfs/dbraw/zinc/18/66/34/599186634.db2.gz KEQSCUZQITUPBZ-LLVKDONJSA-N -1 1 377.191 2.432 20 0 GEADMM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823161038 599186637 /nfs/dbraw/zinc/18/66/37/599186637.db2.gz KEQSCUZQITUPBZ-LLVKDONJSA-N -1 1 377.191 2.432 20 0 GEADMM Cc1nc(C)n(C[C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000737473819 599204086 /nfs/dbraw/zinc/20/40/86/599204086.db2.gz HQQBGZCIHPBXGR-SNVBAGLBSA-N -1 1 379.881 2.102 20 0 GEADMM Cc1nc(C)n(C[C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000737473819 599204090 /nfs/dbraw/zinc/20/40/90/599204090.db2.gz HQQBGZCIHPBXGR-SNVBAGLBSA-N -1 1 379.881 2.102 20 0 GEADMM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822236449 599205019 /nfs/dbraw/zinc/20/50/19/599205019.db2.gz ZUHMFVISVBMNCO-GOSISDBHSA-N -1 1 392.463 2.434 20 0 GEADMM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822236449 599205022 /nfs/dbraw/zinc/20/50/22/599205022.db2.gz ZUHMFVISVBMNCO-GOSISDBHSA-N -1 1 392.463 2.434 20 0 GEADMM C[C@@H](OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)C(N)=O ZINC000736163600 599216215 /nfs/dbraw/zinc/21/62/15/599216215.db2.gz PYEOIKGOFBZQNA-SECBINFHSA-N -1 1 387.783 2.343 20 0 GEADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000822233456 599237033 /nfs/dbraw/zinc/23/70/33/599237033.db2.gz PIWLMXFFZWGZBG-NHYWBVRUSA-N -1 1 388.453 2.325 20 0 GEADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000822233456 599237034 /nfs/dbraw/zinc/23/70/34/599237034.db2.gz PIWLMXFFZWGZBG-NHYWBVRUSA-N -1 1 388.453 2.325 20 0 GEADMM O=C([O-])C[C@H]1CCCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000819357552 597125227 /nfs/dbraw/zinc/12/52/27/597125227.db2.gz DAJOLNGDONCIBK-QGZVFWFLSA-N -1 1 381.517 2.165 20 0 GEADMM COc1ccc(C(=O)O[C@@H](C)C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000738092439 597493019 /nfs/dbraw/zinc/49/30/19/597493019.db2.gz MJKOOHQUSGGPIX-LBPRGKRZSA-N -1 1 393.417 2.434 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000818583031 597506053 /nfs/dbraw/zinc/50/60/53/597506053.db2.gz NYBGSCKUXAFHNF-SJLPKXTDSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000635525813 597610446 /nfs/dbraw/zinc/61/04/46/597610446.db2.gz KWJXBBBPJJOLBD-UHFFFAOYSA-N -1 1 389.496 2.419 20 0 GEADMM O=C(O[C@@H]1CNC(=O)C1)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823521195 607323165 /nfs/dbraw/zinc/32/31/65/607323165.db2.gz SAEGSNTWQIYPNI-LBPRGKRZSA-N -1 1 399.794 2.358 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337984 598259210 /nfs/dbraw/zinc/25/92/10/598259210.db2.gz IPNLEGPZYNYGLP-UHFFFAOYSA-N -1 1 399.263 2.090 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337984 598259212 /nfs/dbraw/zinc/25/92/12/598259212.db2.gz IPNLEGPZYNYGLP-UHFFFAOYSA-N -1 1 399.263 2.090 20 0 GEADMM CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736817469 598259607 /nfs/dbraw/zinc/25/96/07/598259607.db2.gz ZNUJJQGVNHDLDA-UHFFFAOYSA-N -1 1 386.481 2.380 20 0 GEADMM CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736817469 598259608 /nfs/dbraw/zinc/25/96/08/598259608.db2.gz ZNUJJQGVNHDLDA-UHFFFAOYSA-N -1 1 386.481 2.380 20 0 GEADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000735800556 598266045 /nfs/dbraw/zinc/26/60/45/598266045.db2.gz ZQPRNOKQEJOIMP-ZDUSSCGKSA-N -1 1 378.483 2.389 20 0 GEADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000735800556 598266046 /nfs/dbraw/zinc/26/60/46/598266046.db2.gz ZQPRNOKQEJOIMP-ZDUSSCGKSA-N -1 1 378.483 2.389 20 0 GEADMM C[C@@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735984620 598268337 /nfs/dbraw/zinc/26/83/37/598268337.db2.gz FUPJCOXNXJZMHZ-ZDUSSCGKSA-N -1 1 386.481 2.296 20 0 GEADMM C[C@@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735984620 598268339 /nfs/dbraw/zinc/26/83/39/598268339.db2.gz FUPJCOXNXJZMHZ-ZDUSSCGKSA-N -1 1 386.481 2.296 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nnsc1Cl ZINC000737549442 598298088 /nfs/dbraw/zinc/29/80/88/598298088.db2.gz VGALNILZJMMCTL-UHFFFAOYSA-N -1 1 391.800 2.421 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1nnsc1Cl ZINC000737549442 598298090 /nfs/dbraw/zinc/29/80/90/598298090.db2.gz VGALNILZJMMCTL-UHFFFAOYSA-N -1 1 391.800 2.421 20 0 GEADMM CCN(Cc1ccoc1)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736557140 598328718 /nfs/dbraw/zinc/32/87/18/598328718.db2.gz XGVULGPYGUQFQD-UHFFFAOYSA-N -1 1 394.439 2.101 20 0 GEADMM CCN(Cc1ccoc1)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736557140 598328720 /nfs/dbraw/zinc/32/87/20/598328720.db2.gz XGVULGPYGUQFQD-UHFFFAOYSA-N -1 1 394.439 2.101 20 0 GEADMM Brc1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nnn[n-]1)CC3 ZINC000735369378 598341658 /nfs/dbraw/zinc/34/16/58/598341658.db2.gz SLJKXTSNKPCTIW-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM Brc1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nn[n-]n1)CC3 ZINC000735369378 598341661 /nfs/dbraw/zinc/34/16/61/598341661.db2.gz SLJKXTSNKPCTIW-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM COc1ccc(Oc2cc(CNc3nccnc3-c3nnn[n-]3)ccn2)cc1 ZINC000737111921 598345447 /nfs/dbraw/zinc/34/54/47/598345447.db2.gz QYHWDFIIFHHJDE-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM COc1ccc(Oc2cc(CNc3nccnc3-c3nn[n-]n3)ccn2)cc1 ZINC000737111921 598345449 /nfs/dbraw/zinc/34/54/49/598345449.db2.gz QYHWDFIIFHHJDE-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM CCc1nn(CC(=O)c2ccc3c(c2)CCCC3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705553 598377967 /nfs/dbraw/zinc/37/79/67/598377967.db2.gz KDDYAQXGDLOYEQ-UHFFFAOYSA-N -1 1 392.463 2.310 20 0 GEADMM CCOc1cc2c(cc1C=CC(=O)N=c1cc[nH]cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000736636793 598379013 /nfs/dbraw/zinc/37/90/13/598379013.db2.gz SGFXRVKZVHLQNU-QMAVJUDZSA-N -1 1 392.419 2.058 20 0 GEADMM CCc1nn(Cc2cccc(Br)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707078 598379779 /nfs/dbraw/zinc/37/97/79/598379779.db2.gz PNGWDLMXOXUSLQ-UHFFFAOYSA-N -1 1 389.257 2.359 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCc2ccccc2C1 ZINC000737201831 598400054 /nfs/dbraw/zinc/40/00/54/598400054.db2.gz WUEPHIJAVPXKSV-UHFFFAOYSA-N -1 1 392.463 2.492 20 0 GEADMM CCCCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736442733 598408126 /nfs/dbraw/zinc/40/81/26/598408126.db2.gz YRSOMEQHFCGWOT-UHFFFAOYSA-N -1 1 383.412 2.114 20 0 GEADMM CCCCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736442733 598408128 /nfs/dbraw/zinc/40/81/28/598408128.db2.gz YRSOMEQHFCGWOT-UHFFFAOYSA-N -1 1 383.412 2.114 20 0 GEADMM O=C(C=C1CCCC1)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737906508 598410512 /nfs/dbraw/zinc/41/05/12/598410512.db2.gz GBQWKUKFBDDSAK-UHFFFAOYSA-N -1 1 393.407 2.035 20 0 GEADMM O=C(C=C1CCCC1)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737906508 598410514 /nfs/dbraw/zinc/41/05/14/598410514.db2.gz GBQWKUKFBDDSAK-UHFFFAOYSA-N -1 1 393.407 2.035 20 0 GEADMM CO[C@](C)(C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000736956663 598412043 /nfs/dbraw/zinc/41/20/43/598412043.db2.gz HUTOITNFAIKANV-IBGZPJMESA-N -1 1 399.407 2.120 20 0 GEADMM O=C(O[C@H]1CCOC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738216004 598412544 /nfs/dbraw/zinc/41/25/44/598412544.db2.gz UPIRBMMSZXXMAX-AWEZNQCLSA-N -1 1 384.323 2.270 20 0 GEADMM O=C(O[C@H]1CCOC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738216004 598412545 /nfs/dbraw/zinc/41/25/45/598412545.db2.gz UPIRBMMSZXXMAX-AWEZNQCLSA-N -1 1 384.323 2.270 20 0 GEADMM Cc1nn(-c2ccccc2)c(Cn2nc(C(C)(C)C)ccc2=O)c1-c1nn[n-]n1 ZINC000737503670 598440102 /nfs/dbraw/zinc/44/01/02/598440102.db2.gz JQCYJYBEVWFSER-UHFFFAOYSA-N -1 1 390.451 2.263 20 0 GEADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)NCCc2cccs2)o1 ZINC000735850366 598496399 /nfs/dbraw/zinc/49/63/99/598496399.db2.gz CQGKGHKWTWQQDF-UHFFFAOYSA-N -1 1 392.514 2.148 20 0 GEADMM C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)[C@@H]1C ZINC000736262684 598503592 /nfs/dbraw/zinc/50/35/92/598503592.db2.gz PTHOKWHBMVAIBL-XJKCOSOUSA-N -1 1 380.452 2.123 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Oc1cccc(F)c1F ZINC000737486208 598519279 /nfs/dbraw/zinc/51/92/79/598519279.db2.gz CBQDPLAUMQRGKE-UHFFFAOYSA-N -1 1 399.361 2.343 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Oc1cccc(F)c1F ZINC000737486208 598519280 /nfs/dbraw/zinc/51/92/80/598519280.db2.gz CBQDPLAUMQRGKE-UHFFFAOYSA-N -1 1 399.361 2.343 20 0 GEADMM CN(CCc1ccccc1F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736805712 598596340 /nfs/dbraw/zinc/59/63/40/598596340.db2.gz JEKLVJYYZZNLPW-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM CCc1nn(Cc2ccc(OC(F)F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705867 598642102 /nfs/dbraw/zinc/64/21/02/598642102.db2.gz BWBSGIYRLDTWHB-UHFFFAOYSA-N -1 1 376.367 2.198 20 0 GEADMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1Cc1cccs1 ZINC000737227711 598676921 /nfs/dbraw/zinc/67/69/21/598676921.db2.gz PSFXJPCANQAAHC-UHFFFAOYSA-N -1 1 394.460 2.439 20 0 GEADMM CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736636442 598688401 /nfs/dbraw/zinc/68/84/01/598688401.db2.gz JCUQQRMCKQWWLW-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000736371498 598689953 /nfs/dbraw/zinc/68/99/53/598689953.db2.gz VMVVMWIWXLKMEZ-HNNXBMFYSA-N -1 1 391.428 2.444 20 0 GEADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000737090270 598694950 /nfs/dbraw/zinc/69/49/50/598694950.db2.gz DVIVJKIJXBOJCV-UHFFFAOYSA-N -1 1 391.428 2.144 20 0 GEADMM CN([C@@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736748818 598695036 /nfs/dbraw/zinc/69/50/36/598695036.db2.gz XPBMOMIAELRFTI-ZDUSSCGKSA-N -1 1 398.370 2.186 20 0 GEADMM CN([C@@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736748818 598695038 /nfs/dbraw/zinc/69/50/38/598695038.db2.gz XPBMOMIAELRFTI-ZDUSSCGKSA-N -1 1 398.370 2.186 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cncc(Br)c2)c2ccccc12 ZINC000738372381 598719904 /nfs/dbraw/zinc/71/99/04/598719904.db2.gz OWXJAUVOLBGROX-UHFFFAOYSA-N -1 1 383.209 2.387 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2noc(-c3cccs3)n2)c2ccccc12 ZINC000738372891 598720555 /nfs/dbraw/zinc/72/05/55/598720555.db2.gz XYIOGGVZVLUURR-UHFFFAOYSA-N -1 1 377.389 2.341 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(C[C@@H]2CCCO2)c2ccc(Br)cc12 ZINC000738371424 598723755 /nfs/dbraw/zinc/72/37/55/598723755.db2.gz KAZXOKIUTLPWSU-JTQLQIEISA-N -1 1 376.214 2.123 20 0 GEADMM COC(=O)c1cc(F)ccc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736949138 598733329 /nfs/dbraw/zinc/73/33/29/598733329.db2.gz CZZXMNPLYYNWQC-UHFFFAOYSA-N -1 1 379.351 2.156 20 0 GEADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCSc2ccccc2Cl)c1=O ZINC000736714999 598733526 /nfs/dbraw/zinc/73/35/26/598733526.db2.gz ZMKDTXUTFBBMKI-UHFFFAOYSA-N -1 1 392.872 2.046 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000738259273 599317736 /nfs/dbraw/zinc/31/77/36/599317736.db2.gz POSSIOLBJJYUKS-JTQLQIEISA-N -1 1 392.345 2.023 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000738259273 599317739 /nfs/dbraw/zinc/31/77/39/599317739.db2.gz POSSIOLBJJYUKS-JTQLQIEISA-N -1 1 392.345 2.023 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1(C)C ZINC000821361667 599344777 /nfs/dbraw/zinc/34/47/77/599344777.db2.gz WBZOKIACGXMFNB-UONOGXRCSA-N -1 1 399.904 2.344 20 0 GEADMM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822233460 599350299 /nfs/dbraw/zinc/35/02/99/599350299.db2.gz PKDNIACXCDHTDA-KRWDZBQOSA-N -1 1 384.465 2.486 20 0 GEADMM Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822233460 599350301 /nfs/dbraw/zinc/35/03/01/599350301.db2.gz PKDNIACXCDHTDA-KRWDZBQOSA-N -1 1 384.465 2.486 20 0 GEADMM C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820669029 599368569 /nfs/dbraw/zinc/36/85/69/599368569.db2.gz YTYFWVVIRFZFSN-ZBEGNZNMSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820669029 599368571 /nfs/dbraw/zinc/36/85/71/599368571.db2.gz YTYFWVVIRFZFSN-ZBEGNZNMSA-N -1 1 388.428 2.173 20 0 GEADMM CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821449930 599377074 /nfs/dbraw/zinc/37/70/74/599377074.db2.gz YQIFZXHGGDAPQU-MNOVXSKESA-N -1 1 385.490 2.301 20 0 GEADMM CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821449930 599377077 /nfs/dbraw/zinc/37/70/77/599377077.db2.gz YQIFZXHGGDAPQU-MNOVXSKESA-N -1 1 385.490 2.301 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)Nc2ccnc3ccnn32)c1-c1nn[n-]n1 ZINC000737189134 599386238 /nfs/dbraw/zinc/38/62/38/599386238.db2.gz JEHIUNZYCOFTEO-UHFFFAOYSA-N -1 1 393.436 2.156 20 0 GEADMM FC(F)(F)c1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC000737635896 599395034 /nfs/dbraw/zinc/39/50/34/599395034.db2.gz PHMJKJOKHLPSMW-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM FC(F)(F)c1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000737635896 599395038 /nfs/dbraw/zinc/39/50/38/599395038.db2.gz PHMJKJOKHLPSMW-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM OCCn1ncc2c1CCC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823726886 599478478 /nfs/dbraw/zinc/47/84/78/599478478.db2.gz HYDORWNFEVLMSQ-HNNXBMFYSA-N -1 1 376.424 2.093 20 0 GEADMM OCCn1ncc2c1CCC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823726886 599478482 /nfs/dbraw/zinc/47/84/82/599478482.db2.gz HYDORWNFEVLMSQ-HNNXBMFYSA-N -1 1 376.424 2.093 20 0 GEADMM CCN(CC)C(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821169690 599492372 /nfs/dbraw/zinc/49/23/72/599492372.db2.gz AYKBHOILORYNPZ-INIZCTEOSA-N -1 1 399.455 2.078 20 0 GEADMM CCN(CC)C(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821169690 599492375 /nfs/dbraw/zinc/49/23/75/599492375.db2.gz AYKBHOILORYNPZ-INIZCTEOSA-N -1 1 399.455 2.078 20 0 GEADMM O[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)COc1ccc(F)cc1 ZINC000823690891 599494594 /nfs/dbraw/zinc/49/45/94/599494594.db2.gz XFKBWBLELXSIBK-CYBMUJFWSA-N -1 1 380.383 2.406 20 0 GEADMM O[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)COc1ccc(F)cc1 ZINC000823690891 599494597 /nfs/dbraw/zinc/49/45/97/599494597.db2.gz XFKBWBLELXSIBK-CYBMUJFWSA-N -1 1 380.383 2.406 20 0 GEADMM CCC(O)(CC)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820925779 599494866 /nfs/dbraw/zinc/49/48/66/599494866.db2.gz LYQIFCKQSLNEBR-UHFFFAOYSA-N -1 1 376.486 2.142 20 0 GEADMM c1oc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1-c1ccccc1 ZINC000823767747 599537815 /nfs/dbraw/zinc/53/78/15/599537815.db2.gz WKXXEINOVNJEDG-UHFFFAOYSA-N -1 1 388.435 2.239 20 0 GEADMM CCO[C@@H]1C[C@H](O)C12CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821360334 599571442 /nfs/dbraw/zinc/57/14/42/599571442.db2.gz QSVBKWLLTVRXPC-ZWKOTPCHSA-N -1 1 380.452 2.171 20 0 GEADMM CCO[C@@H]1C[C@H](O)C12CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821360334 599571443 /nfs/dbraw/zinc/57/14/43/599571443.db2.gz QSVBKWLLTVRXPC-ZWKOTPCHSA-N -1 1 380.452 2.171 20 0 GEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC[C@H]1C1CC1 ZINC000738356202 599594582 /nfs/dbraw/zinc/59/45/82/599594582.db2.gz YLRKRBXRKWODJR-LBPRGKRZSA-N -1 1 387.387 2.449 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H](C)c2cccs2)c(-c2nn[n-]n2)c1C ZINC000737550550 599607772 /nfs/dbraw/zinc/60/77/72/599607772.db2.gz ALZVOHLVPKOCHE-SECBINFHSA-N -1 1 375.410 2.423 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H](C)c2ccsc2)c(-c2nn[n-]n2)c1C ZINC000737551906 599607977 /nfs/dbraw/zinc/60/79/77/599607977.db2.gz LCISZUQRTDHPQB-SECBINFHSA-N -1 1 375.410 2.423 20 0 GEADMM COc1ccc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cn1 ZINC000821825308 599626945 /nfs/dbraw/zinc/62/69/45/599626945.db2.gz WBUVIIJRUVRBDF-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM COc1ccc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cn1 ZINC000821825308 599626946 /nfs/dbraw/zinc/62/69/46/599626946.db2.gz WBUVIIJRUVRBDF-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM CCc1ccc(CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000821480663 599663414 /nfs/dbraw/zinc/66/34/14/599663414.db2.gz CPYKZRVKCGZWQE-UHFFFAOYSA-N -1 1 383.408 2.363 20 0 GEADMM O=C([O-])C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000738564185 599755613 /nfs/dbraw/zinc/75/56/13/599755613.db2.gz QRXJGXBPIUBAQM-INIZCTEOSA-N -1 1 380.404 2.015 20 0 GEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736776234 599780079 /nfs/dbraw/zinc/78/00/79/599780079.db2.gz VBHAHGXSDFKTIO-GJZGRUSLSA-N -1 1 384.498 2.081 20 0 GEADMM CN1CCN(C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC000737526464 599780539 /nfs/dbraw/zinc/78/05/39/599780539.db2.gz PVJGNUOMVLFVIH-IBGZPJMESA-N -1 1 382.464 2.495 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737525232 599789171 /nfs/dbraw/zinc/78/91/71/599789171.db2.gz CXUPNKXTDIEMIQ-LJQANCHMSA-N -1 1 382.464 2.495 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2sc(Br)cc2C1 ZINC000823478998 607395997 /nfs/dbraw/zinc/39/59/97/607395997.db2.gz YVOIDGHIWXTCQG-UHFFFAOYSA-N -1 1 391.254 2.284 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2sc(Br)cc2C1 ZINC000823478998 607396000 /nfs/dbraw/zinc/39/60/00/607396000.db2.gz YVOIDGHIWXTCQG-UHFFFAOYSA-N -1 1 391.254 2.284 20 0 GEADMM Cn1c(=O)oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc21 ZINC000489721697 599815036 /nfs/dbraw/zinc/81/50/36/599815036.db2.gz RCSZZWXPQHQTJH-UHFFFAOYSA-N -1 1 382.781 2.284 20 0 GEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000736368814 599850448 /nfs/dbraw/zinc/85/04/48/599850448.db2.gz PGVVFFDFLDRDMT-QGZVFWFLSA-N -1 1 396.919 2.261 20 0 GEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000737648860 599851046 /nfs/dbraw/zinc/85/10/46/599851046.db2.gz HTEDUBNHELCMBW-UHFFFAOYSA-N -1 1 397.380 2.267 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c(C(=O)[O-])c1C ZINC000736175409 599893401 /nfs/dbraw/zinc/89/34/01/599893401.db2.gz AQBJVYZSBURLAI-UHFFFAOYSA-N -1 1 399.382 2.007 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c(C(=O)[O-])c1C ZINC000736175409 599893404 /nfs/dbraw/zinc/89/34/04/599893404.db2.gz AQBJVYZSBURLAI-UHFFFAOYSA-N -1 1 399.382 2.007 20 0 GEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(OCCC(=O)[O-])cc3)cc12 ZINC000504704786 599926544 /nfs/dbraw/zinc/92/65/44/599926544.db2.gz ZWNFIQHIAKMOKK-UHFFFAOYSA-N -1 1 377.378 2.186 20 0 GEADMM CN(C)[C@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000737358505 599942131 /nfs/dbraw/zinc/94/21/31/599942131.db2.gz NWKRHSRVHWHTAE-MRXNPFEDSA-N -1 1 377.466 2.427 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000740135564 599955912 /nfs/dbraw/zinc/95/59/12/599955912.db2.gz OVEODMXMLKKPGG-UHFFFAOYSA-N -1 1 392.824 2.302 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000740135564 599955916 /nfs/dbraw/zinc/95/59/16/599955916.db2.gz OVEODMXMLKKPGG-UHFFFAOYSA-N -1 1 392.824 2.302 20 0 GEADMM CCOCCN1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1CC ZINC000737177632 599961773 /nfs/dbraw/zinc/96/17/73/599961773.db2.gz YCGZKFCFUDTIRF-AEFFLSMTSA-N -1 1 391.512 2.453 20 0 GEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738873683 599983107 /nfs/dbraw/zinc/98/31/07/599983107.db2.gz ZGHWZVATVSEHJK-UHFFFAOYSA-N -1 1 376.319 2.209 20 0 GEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc(F)ccc1NS(C)(=O)=O ZINC000431650928 599986474 /nfs/dbraw/zinc/98/64/74/599986474.db2.gz GUVBKEWAWXVWNY-UHFFFAOYSA-N -1 1 396.396 2.221 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000738411135 600042665 /nfs/dbraw/zinc/04/26/65/600042665.db2.gz PIMFWMVPANYBHH-QGZVFWFLSA-N -1 1 381.432 2.022 20 0 GEADMM CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737228342 600094267 /nfs/dbraw/zinc/09/42/67/600094267.db2.gz ZDHPXSJUEAJGGH-UHFFFAOYSA-N -1 1 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GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000832851939 600762621 /nfs/dbraw/zinc/76/26/21/600762621.db2.gz KASYOYCLFXPZJH-UHFFFAOYSA-N -1 1 388.489 2.071 20 0 GEADMM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000832961551 600764556 /nfs/dbraw/zinc/76/45/56/600764556.db2.gz FIPXGYIZGGJCNH-DOTOQJQBSA-N -1 1 389.477 2.028 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000830954689 600780595 /nfs/dbraw/zinc/78/05/95/600780595.db2.gz FMZCVYJTNVGCGX-HXUWFJFHSA-N -1 1 381.476 2.032 20 0 GEADMM CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000383274564 600782705 /nfs/dbraw/zinc/78/27/05/600782705.db2.gz GWCIONBTEAYBRJ-UHFFFAOYSA-N -1 1 391.493 2.008 20 0 GEADMM Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000491063004 600809319 /nfs/dbraw/zinc/80/93/19/600809319.db2.gz CEUNZOAXHWJCJE-UHFFFAOYSA-N -1 1 392.462 2.409 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(OC[C@H]2CCCO2)c1 ZINC000299123557 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COC(=O)c1c(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)sc2c1CC[C@@H](C)C2 ZINC000831230414 601034503 /nfs/dbraw/zinc/03/45/03/601034503.db2.gz ASCSTILTWPKKKL-GIGQVBGESA-N -1 1 394.493 2.441 20 0 GEADMM O=C([O-])CCN(Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C1CCOCC1 ZINC000833236612 601050337 /nfs/dbraw/zinc/05/03/37/601050337.db2.gz UJNMDLDWTIBNPW-UHFFFAOYSA-N -1 1 377.466 2.341 20 0 GEADMM CC(C)(C)c1nc(CN2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)cs1 ZINC000824142402 607485796 /nfs/dbraw/zinc/48/57/96/607485796.db2.gz RTTCVSUHDLGBAJ-UHFFFAOYSA-N -1 1 398.540 2.334 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCCc2nc(-c3cccs3)no2)CC1 ZINC000630225496 601093108 /nfs/dbraw/zinc/09/31/08/601093108.db2.gz VVTVODDMVCBAFA-CYBMUJFWSA-N -1 1 392.481 2.128 20 0 GEADMM Cc1ccc(C)n1-c1nc(CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cs1 ZINC000832925624 601098405 /nfs/dbraw/zinc/09/84/05/601098405.db2.gz RDEPGJXOYDJHJJ-OAHLLOKOSA-N -1 1 390.509 2.101 20 0 GEADMM Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630224848 601099439 /nfs/dbraw/zinc/09/94/39/601099439.db2.gz QRLKADZEXHHIBS-OAHLLOKOSA-N -1 1 378.517 2.096 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000630221274 601103068 /nfs/dbraw/zinc/10/30/68/601103068.db2.gz WUMWDVUONNWJJJ-MRXNPFEDSA-N -1 1 383.448 2.282 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000630224918 601107478 /nfs/dbraw/zinc/10/74/78/601107478.db2.gz RCTXZMJVDFDYRC-ZDUSSCGKSA-N -1 1 391.468 2.499 20 0 GEADMM Cc1ccc(NC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)cc1C(=O)[O-] ZINC000832943810 601109860 /nfs/dbraw/zinc/10/98/60/601109860.db2.gz JXVRBOFEKVNIJJ-UHFFFAOYSA-N -1 1 379.376 2.135 20 0 GEADMM O=C([O-])CCc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000833238736 601122552 /nfs/dbraw/zinc/12/25/52/601122552.db2.gz VGFDCNUPIAQMMN-UHFFFAOYSA-N -1 1 383.429 2.341 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 ZINC000827368720 601127246 /nfs/dbraw/zinc/12/72/46/601127246.db2.gz ILIKDWGQTCHAKE-LLVKDONJSA-N -1 1 383.832 2.124 20 0 GEADMM CCOc1cc2c(cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)O[C@@H](C)C2 ZINC000830054192 601127717 /nfs/dbraw/zinc/12/77/17/601127717.db2.gz SHAKBPOJFLJBBA-KBPBESRZSA-N -1 1 391.468 2.421 20 0 GEADMM Cc1cc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)n(Cc2ccccc2)n1 ZINC000832894333 601127998 /nfs/dbraw/zinc/12/79/98/601127998.db2.gz ILYVZJVIOOUUHL-MRXNPFEDSA-N -1 1 385.468 2.253 20 0 GEADMM COc1ccc([C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)N2CCCC2)cc1 ZINC000832241763 601129998 /nfs/dbraw/zinc/12/99/98/601129998.db2.gz YPYQDKJRAKZOKM-QGZVFWFLSA-N -1 1 396.509 2.006 20 0 GEADMM Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1C(=O)[O-] ZINC000832939142 601166402 /nfs/dbraw/zinc/16/64/02/601166402.db2.gz GGEQBHVEEJASRT-GOSISDBHSA-N -1 1 395.459 2.413 20 0 GEADMM Cc1nc([C@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccc3OC(C)C)CCO2)n[nH]1 ZINC000832991096 601198081 /nfs/dbraw/zinc/19/80/81/601198081.db2.gz KHAWMKLJZCQSKH-OAHLLOKOSA-N -1 1 389.412 2.204 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000831934351 601215636 /nfs/dbraw/zinc/21/56/36/601215636.db2.gz JOYHLGDPEFGJOQ-GFCCVEGCSA-N -1 1 398.506 2.254 20 0 GEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828239597 601234725 /nfs/dbraw/zinc/23/47/25/601234725.db2.gz OZEGTPSWQWFIBB-QWRGUYRKSA-N -1 1 376.425 2.204 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000751214235 601250483 /nfs/dbraw/zinc/25/04/83/601250483.db2.gz JXWYWJMIEXJBGG-XMMPIXPASA-N -1 1 396.368 2.152 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CCN1C ZINC000322578951 601252216 /nfs/dbraw/zinc/25/22/16/601252216.db2.gz HIXGLLGIGSPEBF-BDAKNGLRSA-N -1 1 381.281 2.453 20 0 GEADMM CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1 ZINC000829754198 601255743 /nfs/dbraw/zinc/25/57/43/601255743.db2.gz UYUCILVYYVLVJG-PELKAZGASA-N -1 1 381.281 2.310 20 0 GEADMM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000829160271 601270560 /nfs/dbraw/zinc/27/05/60/601270560.db2.gz GNKKHFLKTILYKT-HUUCEWRRSA-N -1 1 375.469 2.242 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1 ZINC000827375077 601294028 /nfs/dbraw/zinc/29/40/28/601294028.db2.gz PHFBZCIVXFQGES-GFCCVEGCSA-N -1 1 375.454 2.218 20 0 GEADMM CC[C@@H]1CN2CCCC[C@H]2CN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829160238 601323367 /nfs/dbraw/zinc/32/33/67/601323367.db2.gz GFMZONMKPFHLKZ-OLZOCXBDSA-N -1 1 390.509 2.440 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000108055041 601325670 /nfs/dbraw/zinc/32/56/70/601325670.db2.gz YGSILCUKAVDAQE-UHFFFAOYSA-N -1 1 388.405 2.288 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(O)c1 ZINC000829881385 601331437 /nfs/dbraw/zinc/33/14/37/601331437.db2.gz HREJYHBDOZMXEZ-YHYXMXQVSA-N -1 1 391.401 2.468 20 0 GEADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000731470293 601331685 /nfs/dbraw/zinc/33/16/85/601331685.db2.gz ZBLWPBMBCZLPSD-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)ccc1C ZINC000476394134 601334410 /nfs/dbraw/zinc/33/44/10/601334410.db2.gz BPYKWQPVGNZLNE-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000829160411 601337887 /nfs/dbraw/zinc/33/78/87/601337887.db2.gz IJGCJBOIANILJH-STQMWFEESA-N -1 1 381.502 2.426 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000830519782 601377250 /nfs/dbraw/zinc/37/72/50/601377250.db2.gz VSSMLXWGQITRSP-CVEARBPZSA-N -1 1 394.468 2.066 20 0 GEADMM Cc1nc2c(c(=O)n(CN3C[C@@H]4CCCC[C@@H]4C3)n2C)c(C)c1CCC(=O)[O-] ZINC000833005888 601400324 /nfs/dbraw/zinc/40/03/24/601400324.db2.gz SUMDTCZRQVUZSA-IYBDPMFKSA-N -1 1 386.496 2.449 20 0 GEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])n[nH]1 ZINC000663145317 601487946 /nfs/dbraw/zinc/48/79/46/601487946.db2.gz XPSQFWJOWJVQQJ-GOSISDBHSA-N -1 1 379.420 2.251 20 0 GEADMM COC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000831586103 601491254 /nfs/dbraw/zinc/49/12/54/601491254.db2.gz SWYULQAYUXCGBZ-QGZVFWFLSA-N -1 1 398.506 2.183 20 0 GEADMM CCC1CCC(NCC(=O)NCc2ccc(NC(=O)OC)cc2)(C(=O)[O-])CC1 ZINC000829101260 601493896 /nfs/dbraw/zinc/49/38/96/601493896.db2.gz LMDIOLINNLALEZ-UHFFFAOYSA-N -1 1 391.468 2.494 20 0 GEADMM CCN1C[C@H](C)[C@H](Nc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)C1 ZINC000829752606 601565092 /nfs/dbraw/zinc/56/50/92/601565092.db2.gz JHHFZMREPJCOPD-SMDDNHRTSA-N -1 1 376.844 2.336 20 0 GEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000828240005 601576554 /nfs/dbraw/zinc/57/65/54/601576554.db2.gz SJPVHXUOXKEGON-QWRGUYRKSA-N -1 1 376.425 2.204 20 0 GEADMM CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000829118408 601578453 /nfs/dbraw/zinc/57/84/53/601578453.db2.gz GLCXQAQQLJXACI-NSHDSACASA-N -1 1 376.425 2.206 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000827694437 601611399 /nfs/dbraw/zinc/61/13/99/601611399.db2.gz GCVHMOACOVIXBU-GDZNZVCISA-N -1 1 394.431 2.259 20 0 GEADMM Cc1ccc(NC(=O)CN(C)C(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832943658 601650957 /nfs/dbraw/zinc/65/09/57/601650957.db2.gz KXSJRGNNXCEEKA-KKSFZXQISA-N -1 1 397.475 2.444 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)NCC(C)(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000828457124 601667453 /nfs/dbraw/zinc/66/74/53/601667453.db2.gz RRALQVJVFGABMP-GASCZTMLSA-N -1 1 377.485 2.206 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000827354289 601678152 /nfs/dbraw/zinc/67/81/52/601678152.db2.gz DGSCRKBSOJHXRD-OAHLLOKOSA-N -1 1 397.516 2.079 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])c2C1 ZINC000826682232 601765772 /nfs/dbraw/zinc/76/57/72/601765772.db2.gz XIDCIYYOPNYCQJ-CYBMUJFWSA-N -1 1 375.469 2.212 20 0 GEADMM CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000440279795 601794885 /nfs/dbraw/zinc/79/48/85/601794885.db2.gz DIGBDKNAZVOERD-UHFFFAOYSA-N -1 1 389.437 2.364 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)ccc1Cl ZINC000392666457 601843457 /nfs/dbraw/zinc/84/34/57/601843457.db2.gz DUYLFYGIPXJGPN-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000830580681 601852662 /nfs/dbraw/zinc/85/26/62/601852662.db2.gz JISHWIWGYCUILZ-MRXNPFEDSA-N -1 1 391.374 2.021 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000828029317 601886474 /nfs/dbraw/zinc/88/64/74/601886474.db2.gz YKASVHNYXZMSHI-SJORKVTESA-N -1 1 399.369 2.227 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000739526661 601946435 /nfs/dbraw/zinc/94/64/35/601946435.db2.gz CJYZTGAYOUCTLZ-CJNGLKHVSA-N -1 1 380.464 2.191 20 0 GEADMM c1cc(CSCc2nc(-c3ccc4c(c3)OCO4)no2)cc(-c2nnn[n-]2)n1 ZINC000826516670 607535450 /nfs/dbraw/zinc/53/54/50/607535450.db2.gz VNKCCXSBLIQEGT-UHFFFAOYSA-N -1 1 395.404 2.474 20 0 GEADMM c1cc(CSCc2nc(-c3ccc4c(c3)OCO4)no2)cc(-c2nn[n-]n2)n1 ZINC000826516670 607535452 /nfs/dbraw/zinc/53/54/52/607535452.db2.gz VNKCCXSBLIQEGT-UHFFFAOYSA-N -1 1 395.404 2.474 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N(C)CCC2CCOCC2)c1 ZINC000831363616 601966443 /nfs/dbraw/zinc/96/64/43/601966443.db2.gz FJPFYUOJCGRAIY-ZDUSSCGKSA-N -1 1 392.452 2.247 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000828167022 601969359 /nfs/dbraw/zinc/96/93/59/601969359.db2.gz AJHMUIAKECTLHF-XJKSGUPXSA-N -1 1 399.422 2.242 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1-c1nn[nH]n1 ZINC000826303898 607536605 /nfs/dbraw/zinc/53/66/05/607536605.db2.gz LJFAIMVZDKIWRY-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM COc1ccc(Cl)cc1CS(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826208734 607536654 /nfs/dbraw/zinc/53/66/54/607536654.db2.gz YBCIKMGCIJNCEC-UHFFFAOYSA-N -1 1 379.829 2.039 20 0 GEADMM COc1ccc(Cl)cc1CS(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826208734 607536655 /nfs/dbraw/zinc/53/66/55/607536655.db2.gz YBCIKMGCIJNCEC-UHFFFAOYSA-N -1 1 379.829 2.039 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000828432550 601977408 /nfs/dbraw/zinc/97/74/08/601977408.db2.gz NTSSGEFHEKNRBH-ZWNOBZJWSA-N -1 1 393.509 2.281 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000830856643 601984881 /nfs/dbraw/zinc/98/48/81/601984881.db2.gz MYLSFOUDTPLHQC-OAHLLOKOSA-N -1 1 392.452 2.419 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398153106 601988937 /nfs/dbraw/zinc/98/89/37/601988937.db2.gz ZCQVODVMMKZZFQ-UKRRQHHQSA-N -1 1 392.452 2.465 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398154083 601990437 /nfs/dbraw/zinc/99/04/37/601990437.db2.gz ZJDISKFQPQCHGJ-HNAYVOBHSA-N -1 1 388.489 2.467 20 0 GEADMM O=S(=O)([N-]c1ccc2c(cnn2C(F)F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492972 607537838 /nfs/dbraw/zinc/53/78/38/607537838.db2.gz NNQYDCFSUZPFON-UHFFFAOYSA-N -1 1 391.363 2.412 20 0 GEADMM Ic1cccc(OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826379371 607540851 /nfs/dbraw/zinc/54/08/51/607540851.db2.gz QHOGKXSLAPUGRI-UHFFFAOYSA-N -1 1 379.161 2.445 20 0 GEADMM Ic1cccc(OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826379371 607540852 /nfs/dbraw/zinc/54/08/52/607540852.db2.gz QHOGKXSLAPUGRI-UHFFFAOYSA-N -1 1 379.161 2.445 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000830620545 602045196 /nfs/dbraw/zinc/04/51/96/602045196.db2.gz VKEBKIOOWCDKNS-HZPDHXFCSA-N -1 1 390.484 2.392 20 0 GEADMM O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826483578 607541889 /nfs/dbraw/zinc/54/18/89/607541889.db2.gz RYCSRGOJXULAAB-UHFFFAOYSA-N -1 1 375.175 2.365 20 0 GEADMM O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826483578 607541891 /nfs/dbraw/zinc/54/18/91/607541891.db2.gz RYCSRGOJXULAAB-UHFFFAOYSA-N -1 1 375.175 2.365 20 0 GEADMM C[C@@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738982764 602058212 /nfs/dbraw/zinc/05/82/12/602058212.db2.gz SWTDNRMHHSKNOS-IAGOWNOFSA-N -1 1 396.532 2.099 20 0 GEADMM O=C([O-])N1CCC[C@H](CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000740413221 602058698 /nfs/dbraw/zinc/05/86/98/602058698.db2.gz HQIYDKSTJKBVHO-HZPDHXFCSA-N -1 1 378.473 2.496 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)C[C@H](C)O1 ZINC000739183448 602075742 /nfs/dbraw/zinc/07/57/42/602075742.db2.gz SHWHBJFFDUSDEE-MHORFTMASA-N -1 1 396.532 2.050 20 0 GEADMM C[C@H](CNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915763 602096835 /nfs/dbraw/zinc/09/68/35/602096835.db2.gz IJESFGRNKDXKRI-IAGOWNOFSA-N -1 1 388.512 2.465 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000738619859 602128323 /nfs/dbraw/zinc/12/83/23/602128323.db2.gz DIAIPGMKHCHQHB-IBGZPJMESA-N -1 1 395.459 2.033 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1cc(C)ccn1 ZINC000832208667 602157875 /nfs/dbraw/zinc/15/78/75/602157875.db2.gz LXUZSBBABDCTRR-UHFFFAOYSA-N -1 1 388.405 2.083 20 0 GEADMM CCC(CC)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)N(C)C ZINC000828854358 602219779 /nfs/dbraw/zinc/21/97/79/602219779.db2.gz ADTIIEGYUHJJNW-MRXNPFEDSA-N -1 1 399.513 2.276 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000825977670 602230645 /nfs/dbraw/zinc/23/06/45/602230645.db2.gz LZQLKTGENXLFOD-CABCVRRESA-N -1 1 382.501 2.142 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cc(C(=O)OCC(=O)[O-])ccc1C ZINC000818635826 602241614 /nfs/dbraw/zinc/24/16/14/602241614.db2.gz VJWQHSDZUWLGKA-UHFFFAOYSA-N -1 1 379.390 2.046 20 0 GEADMM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cc(S(C)(=O)=O)c3)[nH]n2)o1 ZINC000486335825 602256070 /nfs/dbraw/zinc/25/60/70/602256070.db2.gz AGLNCEKJRILDFY-UHFFFAOYSA-N -1 1 389.389 2.332 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])cc1OC ZINC000739909876 602275157 /nfs/dbraw/zinc/27/51/57/602275157.db2.gz TYPCGFRBLPDNHW-GDBMZVCRSA-N -1 1 393.484 2.173 20 0 GEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)[nH]n1 ZINC000740245564 602280437 /nfs/dbraw/zinc/28/04/37/602280437.db2.gz ZFFBRFNOPQFECH-UHFFFAOYSA-N -1 1 398.423 2.326 20 0 GEADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)C(C)(C)NC(=O)[O-])CC2)c1C ZINC000737840049 602313305 /nfs/dbraw/zinc/31/33/05/602313305.db2.gz PXDRFSNYVIRPJV-UHFFFAOYSA-N -1 1 392.500 2.176 20 0 GEADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)CCCNC(=O)[O-])CC2)c1C ZINC000737839187 602313352 /nfs/dbraw/zinc/31/33/52/602313352.db2.gz FRGBTWMUBDXCFH-UHFFFAOYSA-N -1 1 392.500 2.178 20 0 GEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000826039132 602323377 /nfs/dbraw/zinc/32/33/77/602323377.db2.gz NGIQZINBAPCTAA-YVEFUNNKSA-N -1 1 397.456 2.263 20 0 GEADMM O=C([O-])CN(Cc1nnnn1-c1ccccc1Br)C1CCCC1 ZINC000576241949 602336798 /nfs/dbraw/zinc/33/67/98/602336798.db2.gz JYMLWGMAHWCIGE-UHFFFAOYSA-N -1 1 380.246 2.254 20 0 GEADMM COc1ccc([C@@H](CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)N(C)C)cc1OC ZINC000832240292 602377996 /nfs/dbraw/zinc/37/79/96/602377996.db2.gz ANIZOOGHJDOZLJ-OAHLLOKOSA-N -1 1 390.440 2.165 20 0 GEADMM CN(CC1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)CC1)C(=O)[O-] ZINC000739661251 602383410 /nfs/dbraw/zinc/38/34/10/602383410.db2.gz PALQTKJWADLMOV-UHFFFAOYSA-N -1 1 385.411 2.226 20 0 GEADMM CN(CC1CCN(CC(=O)NCCc2cccc3cccnc32)CC1)C(=O)[O-] ZINC000739661263 602383628 /nfs/dbraw/zinc/38/36/28/602383628.db2.gz PPDQCLOEDRPRMA-UHFFFAOYSA-N -1 1 384.480 2.215 20 0 GEADMM CC(C)N(CCCNC(=O)NC1CCN(Cc2ccncc2)CC1)C(=O)[O-] ZINC000738848852 602416770 /nfs/dbraw/zinc/41/67/70/602416770.db2.gz LIGKNCGMTHCVJL-UHFFFAOYSA-N -1 1 377.489 2.124 20 0 GEADMM O=C([O-])N1CCC(CNC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000740417700 602495500 /nfs/dbraw/zinc/49/55/00/602495500.db2.gz GDHBIAFTBRTAQS-UHFFFAOYSA-N -1 1 381.230 2.445 20 0 GEADMM CC(C)(NC(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000736329015 602516821 /nfs/dbraw/zinc/51/68/21/602516821.db2.gz SMYLGZIRQXWDII-UHFFFAOYSA-N -1 1 382.892 2.015 20 0 GEADMM CN(C[C@@H]1CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739661633 602532058 /nfs/dbraw/zinc/53/20/58/602532058.db2.gz ROIIWNIMXQSUPV-ZDUSSCGKSA-N -1 1 389.374 2.133 20 0 GEADMM COc1ccc([C@H](NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C(C)C)cc1 ZINC000739894718 602533929 /nfs/dbraw/zinc/53/39/29/602533929.db2.gz QDVFPYKVDWIJEO-DNVCBOLYSA-N -1 1 377.485 2.440 20 0 GEADMM O=S(=O)(NC1CCCCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488545 607572229 /nfs/dbraw/zinc/57/22/29/607572229.db2.gz SLGKDAADYRQWMX-UHFFFAOYSA-N -1 1 375.376 2.497 20 0 GEADMM CN(C[C@@H]1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C1)C(=O)[O-] ZINC000739663243 602537636 /nfs/dbraw/zinc/53/76/36/602537636.db2.gz CKOOIOCMDKNBQT-AWEZNQCLSA-N -1 1 389.477 2.280 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC(N(C)C(=O)[O-])CC2)N(C)C)c1 ZINC000738118196 602561965 /nfs/dbraw/zinc/56/19/65/602561965.db2.gz QXXBOAGVGINCCD-QGZVFWFLSA-N -1 1 378.473 2.082 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1-c1nn[n-]n1 ZINC000826304647 607574374 /nfs/dbraw/zinc/57/43/74/607574374.db2.gz SSCUXXGRVYKMOT-UHFFFAOYSA-N -1 1 398.400 2.358 20 0 GEADMM O=C([O-])N1CCC[C@H]1CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000740420022 602597344 /nfs/dbraw/zinc/59/73/44/602597344.db2.gz POXSONWGPXMGHY-KRWDZBQOSA-N -1 1 378.448 2.232 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N2CCCC2)cc1 ZINC000739895446 602611522 /nfs/dbraw/zinc/61/15/22/602611522.db2.gz JUPXXJAURUVBJH-RHSMWYFYSA-N -1 1 378.473 2.130 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)C[C@@H](C)O1 ZINC000739182522 602614295 /nfs/dbraw/zinc/61/42/95/602614295.db2.gz OREZYXJUUGNXML-BFYDXBDKSA-N -1 1 384.521 2.001 20 0 GEADMM O=S(=O)(NCCSCc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491465 607579079 /nfs/dbraw/zinc/57/90/79/607579079.db2.gz KSRVQMRGMCADKP-UHFFFAOYSA-N -1 1 393.469 2.218 20 0 GEADMM O=S(=O)(NCCSCc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491465 607579081 /nfs/dbraw/zinc/57/90/81/607579081.db2.gz KSRVQMRGMCADKP-UHFFFAOYSA-N -1 1 393.469 2.218 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000826188774 607580204 /nfs/dbraw/zinc/58/02/04/607580204.db2.gz GJBABQBQYJFTTI-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740424920 602691488 /nfs/dbraw/zinc/69/14/88/602691488.db2.gz BFDJBQVEWDBRJE-CVEARBPZSA-N -1 1 378.473 2.496 20 0 GEADMM CC[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)N1CCc2ccccc2C1 ZINC000739257621 602697897 /nfs/dbraw/zinc/69/78/97/602697897.db2.gz INPYZPPHOUOTJA-HNNXBMFYSA-N -1 1 388.493 2.477 20 0 GEADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740425785 602702508 /nfs/dbraw/zinc/70/25/08/602702508.db2.gz IFCWYPKHSGZZSU-MRXNPFEDSA-N -1 1 392.475 2.479 20 0 GEADMM O=C([O-])N1CCC[C@@H](CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 ZINC000740513009 602703116 /nfs/dbraw/zinc/70/31/16/602703116.db2.gz SGSVSJXMTHNRFL-INIZCTEOSA-N -1 1 385.468 2.244 20 0 GEADMM O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488769 607583007 /nfs/dbraw/zinc/58/30/07/607583007.db2.gz YSFSBLIAWWWFFG-IUCAKERBSA-N -1 1 393.366 2.405 20 0 GEADMM O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488769 607583008 /nfs/dbraw/zinc/58/30/08/607583008.db2.gz YSFSBLIAWWWFFG-IUCAKERBSA-N -1 1 393.366 2.405 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C)N1CCCC1 ZINC000739964125 602754341 /nfs/dbraw/zinc/75/43/41/602754341.db2.gz POXAXFSFZPRVFM-DOTOQJQBSA-N -1 1 390.484 2.226 20 0 GEADMM C[C@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739177908 602764140 /nfs/dbraw/zinc/76/41/40/602764140.db2.gz XEJUEIBXPSJELA-WFASDCNBSA-N -1 1 385.411 2.224 20 0 GEADMM O=C(NCCOc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826439135 607588455 /nfs/dbraw/zinc/58/84/55/607588455.db2.gz GNKDWPBEXNTHBR-UHFFFAOYSA-N -1 1 384.343 2.151 20 0 GEADMM O=C(NCCOc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826439135 607588456 /nfs/dbraw/zinc/58/84/56/607588456.db2.gz GNKDWPBEXNTHBR-UHFFFAOYSA-N -1 1 384.343 2.151 20 0 GEADMM O=C([O-])N1CCCc2cc(NC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)ccc21 ZINC000740464919 602826464 /nfs/dbraw/zinc/82/64/64/602826464.db2.gz LLGDULCFWXURQY-ZWKOTPCHSA-N -1 1 388.468 2.180 20 0 GEADMM CCN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825428575 607595390 /nfs/dbraw/zinc/59/53/90/607595390.db2.gz QJPIDCNXUHTSAR-UHFFFAOYSA-N -1 1 392.872 2.168 20 0 GEADMM CCN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825428575 607595392 /nfs/dbraw/zinc/59/53/92/607595392.db2.gz QJPIDCNXUHTSAR-UHFFFAOYSA-N -1 1 392.872 2.168 20 0 GEADMM C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000824899341 607591310 /nfs/dbraw/zinc/59/13/10/607591310.db2.gz JHUILCKZBUJDRY-BXKDBHETSA-N -1 1 377.401 2.201 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000740079540 602880669 /nfs/dbraw/zinc/88/06/69/602880669.db2.gz INSHTGBBTSSSGM-INIZCTEOSA-N -1 1 389.500 2.401 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000739977486 602885159 /nfs/dbraw/zinc/88/51/59/602885159.db2.gz MYQMCICBEOKKOK-BBRMVZONSA-N -1 1 377.466 2.485 20 0 GEADMM C[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)NC(=O)[O-] ZINC000824686067 602901766 /nfs/dbraw/zinc/90/17/66/602901766.db2.gz OYXTZSKLAQQMGL-NSHDSACASA-N -1 1 388.390 2.442 20 0 GEADMM O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490516 607590946 /nfs/dbraw/zinc/59/09/46/607590946.db2.gz XWJYOEWBPJICFS-UHFFFAOYSA-N -1 1 391.403 2.155 20 0 GEADMM O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490516 607590948 /nfs/dbraw/zinc/59/09/48/607590948.db2.gz XWJYOEWBPJICFS-UHFFFAOYSA-N -1 1 391.403 2.155 20 0 GEADMM Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c12 ZINC000826334210 607597830 /nfs/dbraw/zinc/59/78/30/607597830.db2.gz LTALEDHFPRRGCK-UHFFFAOYSA-N -1 1 390.407 2.086 20 0 GEADMM Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c12 ZINC000826334210 607597831 /nfs/dbraw/zinc/59/78/31/607597831.db2.gz LTALEDHFPRRGCK-UHFFFAOYSA-N -1 1 390.407 2.086 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488007 607599122 /nfs/dbraw/zinc/59/91/22/607599122.db2.gz GOEGPFFRYRFMHA-AAEUAGOBSA-N -1 1 393.831 2.494 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488007 607599124 /nfs/dbraw/zinc/59/91/24/607599124.db2.gz GOEGPFFRYRFMHA-AAEUAGOBSA-N -1 1 393.831 2.494 20 0 GEADMM CCC1CCC(N(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C2CC2)CC1 ZINC000739265508 603045892 /nfs/dbraw/zinc/04/58/92/603045892.db2.gz KOLQJVKDJGQAMK-UHFFFAOYSA-N -1 1 392.500 2.442 20 0 GEADMM C[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824400183 607603148 /nfs/dbraw/zinc/60/31/48/607603148.db2.gz BQTQENUBCGSGGD-LBPRGKRZSA-N -1 1 375.429 2.478 20 0 GEADMM C[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824400183 607603149 /nfs/dbraw/zinc/60/31/49/607603149.db2.gz BQTQENUBCGSGGD-LBPRGKRZSA-N -1 1 375.429 2.478 20 0 GEADMM O=S(=O)(NCc1ccc(F)c(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492026 607604120 /nfs/dbraw/zinc/60/41/20/607604120.db2.gz OZDHCVUSGFXCGZ-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=S(=O)(NCc1ccc(F)c(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492026 607604122 /nfs/dbraw/zinc/60/41/22/607604122.db2.gz OZDHCVUSGFXCGZ-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM CCC(CC)[C@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)N1CCOCC1 ZINC000739252125 603091764 /nfs/dbraw/zinc/09/17/64/603091764.db2.gz ITZBICKDKUAGTC-JCYILVPMSA-N -1 1 384.521 2.001 20 0 GEADMM CCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC000825242303 607608476 /nfs/dbraw/zinc/60/84/76/607608476.db2.gz NUJCRSUPEDNACZ-CYBMUJFWSA-N -1 1 376.417 2.221 20 0 GEADMM CCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC000825242303 607608478 /nfs/dbraw/zinc/60/84/78/607608478.db2.gz NUJCRSUPEDNACZ-CYBMUJFWSA-N -1 1 376.417 2.221 20 0 GEADMM CN(C[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1)C(=O)[O-] ZINC000739638439 603127812 /nfs/dbraw/zinc/12/78/12/603127812.db2.gz PSXGVJPVAXZBDF-LBPRGKRZSA-N -1 1 390.419 2.142 20 0 GEADMM CN(C[C@@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1)C(=O)[O-] ZINC000739638439 603127816 /nfs/dbraw/zinc/12/78/16/603127816.db2.gz PSXGVJPVAXZBDF-LBPRGKRZSA-N -1 1 390.419 2.142 20 0 GEADMM COc1cccc([C@@H](CNC(=O)NC2CCC(NC(=O)[O-])CC2)N(C)C)c1 ZINC000739946037 603144196 /nfs/dbraw/zinc/14/41/96/603144196.db2.gz PZGJBXIWHTULJB-VMBOVVBDSA-N -1 1 378.473 2.176 20 0 GEADMM O=S(=O)(NCCCc1cccc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490904 607612110 /nfs/dbraw/zinc/61/21/10/607612110.db2.gz MBUJOHMNZJDNKE-UHFFFAOYSA-N -1 1 379.392 2.056 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cs1 ZINC000828760872 603241357 /nfs/dbraw/zinc/24/13/57/603241357.db2.gz JMRNQPXXYUWNIW-UHFFFAOYSA-N -1 1 384.435 2.445 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC000824198810 607619601 /nfs/dbraw/zinc/61/96/01/607619601.db2.gz FJQOVBYZXKOFHW-HNNXBMFYSA-N -1 1 376.417 2.076 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC000824198810 607619602 /nfs/dbraw/zinc/61/96/02/607619602.db2.gz FJQOVBYZXKOFHW-HNNXBMFYSA-N -1 1 376.417 2.076 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C[C@H](C)O1 ZINC000739181293 603295003 /nfs/dbraw/zinc/29/50/03/603295003.db2.gz IIRUMLSLYGPBCY-GASCZTMLSA-N -1 1 390.484 2.344 20 0 GEADMM O=S(=O)(NCCCC1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490938 607620745 /nfs/dbraw/zinc/62/07/45/607620745.db2.gz NJHQLHYGJYYLPA-UHFFFAOYSA-N -1 1 375.376 2.354 20 0 GEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000740658736 603331166 /nfs/dbraw/zinc/33/11/66/603331166.db2.gz GBLOBALODCJROY-CYBMUJFWSA-N -1 1 390.415 2.077 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C[C@H](C)O1 ZINC000739182421 603362903 /nfs/dbraw/zinc/36/29/03/603362903.db2.gz NSQMHNQJRDMYJT-GASCZTMLSA-N -1 1 378.473 2.417 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000824257315 603363233 /nfs/dbraw/zinc/36/32/33/603363233.db2.gz OSXKMKUFUNTRPT-RHSMWYFYSA-N -1 1 378.473 2.494 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)N1CCCC1 ZINC000829593404 603429485 /nfs/dbraw/zinc/42/94/85/603429485.db2.gz ZOMCGBJWWMOFHG-INMHGKMJSA-N -1 1 375.469 2.385 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2c1cccc2O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489443 607631185 /nfs/dbraw/zinc/63/11/85/607631185.db2.gz PUTRLFVVLMOBNC-GFCCVEGCSA-N -1 1 391.840 2.192 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2c1cccc2O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489443 607631186 /nfs/dbraw/zinc/63/11/86/607631186.db2.gz PUTRLFVVLMOBNC-GFCCVEGCSA-N -1 1 391.840 2.192 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826057684 603469527 /nfs/dbraw/zinc/46/95/27/603469527.db2.gz JTSLBJDUWZLJLL-OHQAAIJDSA-N -1 1 389.496 2.348 20 0 GEADMM CCN(CC1CCN([C@H](C)C(=O)NCc2cccc(OC)c2)CC1)C(=O)[O-] ZINC000827089687 603509930 /nfs/dbraw/zinc/50/99/30/603509930.db2.gz QOGHJCBZZICENU-OAHLLOKOSA-N -1 1 377.485 2.412 20 0 GEADMM CCC(CC)(CNC(=O)[O-])NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000826547736 603519142 /nfs/dbraw/zinc/51/91/42/603519142.db2.gz MCCHSJBCDLIYIM-UHFFFAOYSA-N -1 1 377.489 2.386 20 0 GEADMM CCC(CC)[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)OC ZINC000825097375 607634887 /nfs/dbraw/zinc/63/48/87/607634887.db2.gz WBCRHXHUGVKVPB-ZDUSSCGKSA-N -1 1 394.501 2.260 20 0 GEADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000825501971 603538171 /nfs/dbraw/zinc/53/81/71/603538171.db2.gz GFRDOLDHDCIKTH-GFCCVEGCSA-N -1 1 378.454 2.273 20 0 GEADMM COc1ccc(-c2cc(C(=O)N(C)CC(C)(C)CNC(=O)[O-])n[nH]2)cc1OC ZINC000829234008 603553230 /nfs/dbraw/zinc/55/32/30/603553230.db2.gz IHFHQQVINLCDQS-UHFFFAOYSA-N -1 1 390.440 2.460 20 0 GEADMM CN(C(=O)[O-])[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000827847167 603629179 /nfs/dbraw/zinc/62/91/79/603629179.db2.gz UYIUSYSVEWQUQF-KRWDZBQOSA-N -1 1 378.448 2.184 20 0 GEADMM CN(CCNC(=O)N(C)C1CCC(NC(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000828321308 603674163 /nfs/dbraw/zinc/67/41/63/603674163.db2.gz MTYGVZKTVWUFOF-UHFFFAOYSA-N -1 1 380.464 2.478 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832504859 603701278 /nfs/dbraw/zinc/70/12/78/603701278.db2.gz FDPMPNLGBSNSTM-SJLPKXTDSA-N -1 1 389.500 2.172 20 0 GEADMM C[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)[C@H]1CNC(=O)[O-] ZINC000825919620 603708118 /nfs/dbraw/zinc/70/81/18/603708118.db2.gz PNRYJFIVKDWUDF-KUHUBIRLSA-N -1 1 384.480 2.421 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@H](C)[C@H]2CNC(=O)[O-])c1OC ZINC000829556168 603718939 /nfs/dbraw/zinc/71/89/39/603718939.db2.gz JXWGGGAWDCFYIB-GOEBONIOSA-N -1 1 393.484 2.030 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCSc2ncccc21 ZINC000826494489 607648045 /nfs/dbraw/zinc/64/80/45/607648045.db2.gz DVNYKGJIVIYOHX-UHFFFAOYSA-N -1 1 394.869 2.216 20 0 GEADMM CCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826883950 603756474 /nfs/dbraw/zinc/75/64/74/603756474.db2.gz FJFWKKZKYCFBJL-IBGZPJMESA-N -1 1 388.512 2.039 20 0 GEADMM Cc1cnc([C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C2CC2)s1 ZINC000826317490 607649771 /nfs/dbraw/zinc/64/97/71/607649771.db2.gz DWWHHKVWPMXFTL-ZDUSSCGKSA-N -1 1 394.457 2.200 20 0 GEADMM O=C([O-])N1CC(CC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000831355251 603799365 /nfs/dbraw/zinc/79/93/65/603799365.db2.gz JVMAOSWNMODKFJ-OAHLLOKOSA-N -1 1 385.386 2.396 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829543390 603890308 /nfs/dbraw/zinc/89/03/08/603890308.db2.gz JLKVELFHHKIVDQ-PVAVHDDUSA-N -1 1 378.473 2.033 20 0 GEADMM Cc1nc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)sc1C ZINC000826326402 607658418 /nfs/dbraw/zinc/65/84/18/607658418.db2.gz OCPOVOWLWIVZMM-UHFFFAOYSA-N -1 1 384.874 2.072 20 0 GEADMM Cc1nc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)sc1C ZINC000826326402 607658420 /nfs/dbraw/zinc/65/84/20/607658420.db2.gz OCPOVOWLWIVZMM-UHFFFAOYSA-N -1 1 384.874 2.072 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](C)c1ccccc1 ZINC000824640321 607658652 /nfs/dbraw/zinc/65/86/52/607658652.db2.gz GISPJOBYCKHYFJ-NWDGAFQWSA-N -1 1 375.429 2.476 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000824640321 607658654 /nfs/dbraw/zinc/65/86/54/607658654.db2.gz GISPJOBYCKHYFJ-NWDGAFQWSA-N -1 1 375.429 2.476 20 0 GEADMM CC(C)c1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)nn1C ZINC000824459592 603910133 /nfs/dbraw/zinc/91/01/33/603910133.db2.gz OYYSUJVOFGOOFA-UHFFFAOYSA-N -1 1 383.412 2.349 20 0 GEADMM CC(C)c1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)nn1C ZINC000824459592 603910138 /nfs/dbraw/zinc/91/01/38/603910138.db2.gz OYYSUJVOFGOOFA-UHFFFAOYSA-N -1 1 383.412 2.349 20 0 GEADMM Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830671583 603911662 /nfs/dbraw/zinc/91/16/62/603911662.db2.gz DCSOOHJNGULYIZ-UHFFFAOYSA-N -1 1 383.412 2.151 20 0 GEADMM Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830671583 603911664 /nfs/dbraw/zinc/91/16/64/603911664.db2.gz DCSOOHJNGULYIZ-UHFFFAOYSA-N -1 1 383.412 2.151 20 0 GEADMM O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493430 607663080 /nfs/dbraw/zinc/66/30/80/607663080.db2.gz KETARNBPFYPLAX-UHFFFAOYSA-N -1 1 389.412 2.374 20 0 GEADMM O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493430 607663081 /nfs/dbraw/zinc/66/30/81/607663081.db2.gz KETARNBPFYPLAX-UHFFFAOYSA-N -1 1 389.412 2.374 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)c1 ZINC000827036589 603979448 /nfs/dbraw/zinc/97/94/48/603979448.db2.gz ZBLJCWZIQFUCNU-UHFFFAOYSA-N -1 1 390.484 2.181 20 0 GEADMM CC(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccnc1 ZINC000824192980 607664771 /nfs/dbraw/zinc/66/47/71/607664771.db2.gz PSSQNNNHMAMUAM-HNNXBMFYSA-N -1 1 390.444 2.119 20 0 GEADMM CCS[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825668563 607665244 /nfs/dbraw/zinc/66/52/44/607665244.db2.gz GRENQGLAAAJKRL-QWHCGFSZSA-N -1 1 385.490 2.348 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3CCCc4n[nH]cc43)cc2)n1 ZINC000832730528 604003731 /nfs/dbraw/zinc/00/37/31/604003731.db2.gz TXELUOYWVCKUDM-LBPRGKRZSA-N -1 1 381.396 2.021 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3CCCc4n[nH]cc43)cc2)n[nH]1 ZINC000832730528 604003737 /nfs/dbraw/zinc/00/37/37/604003737.db2.gz TXELUOYWVCKUDM-LBPRGKRZSA-N -1 1 381.396 2.021 20 0 GEADMM Cc1cc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000826262810 607666043 /nfs/dbraw/zinc/66/60/43/607666043.db2.gz ZJJRBUNFJIDZFZ-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM Cc1cc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000826262810 607666045 /nfs/dbraw/zinc/66/60/45/607666045.db2.gz ZJJRBUNFJIDZFZ-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827418806 604014505 /nfs/dbraw/zinc/01/45/05/604014505.db2.gz SDLXCWKSOKLHIM-LSDHHAIUSA-N -1 1 390.484 2.212 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000827418211 604014959 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JHHJPZPXETZEPT-UHFFFAOYSA-N -1 1 386.437 2.494 20 0 GEADMM C[C@H](NC(=O)CN(C(=O)[O-])c1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000825116237 605362249 /nfs/dbraw/zinc/36/22/49/605362249.db2.gz ZKUKWMOACOMZFY-INIZCTEOSA-N -1 1 375.469 2.321 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)N(C)C)c1 ZINC000829544849 605372714 /nfs/dbraw/zinc/37/27/14/605372714.db2.gz YIOZZBVTPVRFJO-UNEWFSDZSA-N -1 1 378.473 2.128 20 0 GEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c2c1 ZINC000833744478 605456909 /nfs/dbraw/zinc/45/69/09/605456909.db2.gz BLWRQNGKVFCEAB-GFCCVEGCSA-N -1 1 375.400 2.009 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccnn3C3CCCC3)C[C@H]21 ZINC000834187683 605458941 /nfs/dbraw/zinc/45/89/41/605458941.db2.gz LHKPDUUGRSHFAN-NUEKZKHPSA-N -1 1 375.473 2.305 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccsc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833594829 605477746 /nfs/dbraw/zinc/47/77/46/605477746.db2.gz AQXSXFLHXPKBHS-GXTWGEPZSA-N -1 1 387.461 2.164 20 0 GEADMM CS(=O)(=O)Nc1ccccc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833737133 605494543 /nfs/dbraw/zinc/49/45/43/605494543.db2.gz ABOBKLWEGALXHJ-HNNXBMFYSA-N -1 1 381.381 2.050 20 0 GEADMM O=C([O-])N1CC(OCC(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000834012199 605718012 /nfs/dbraw/zinc/71/80/12/605718012.db2.gz VVVWAQXACDKCFS-UHFFFAOYSA-N -1 1 379.594 2.125 20 0 GEADMM N=C(NOCc1csc(CCc2ccccc2)n1)[C@@H]1COCCN1C(=O)[O-] ZINC000833980307 605731318 /nfs/dbraw/zinc/73/13/18/605731318.db2.gz NQDUKUYGBLFQME-HNNXBMFYSA-N -1 1 390.465 2.306 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)C1 ZINC000833420619 605785661 /nfs/dbraw/zinc/78/56/61/605785661.db2.gz WXRUADWGMPOYAC-AOMKIAJQSA-N -1 1 384.476 2.410 20 0 GEADMM COc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc(OC)c1C(C)C ZINC000833726468 605788883 /nfs/dbraw/zinc/78/88/83/605788883.db2.gz CGDCXWLTSKZLHA-AWEZNQCLSA-N -1 1 378.469 2.448 20 0 GEADMM O=C([O-])N1CCCN1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000834110389 605791332 /nfs/dbraw/zinc/79/13/32/605791332.db2.gz OMXSPURUOXJVAU-UHFFFAOYSA-N -1 1 390.465 2.373 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834168159 605812688 /nfs/dbraw/zinc/81/26/88/605812688.db2.gz NOOUAZBQOJEDJE-QZTJIDSGSA-N -1 1 381.517 2.164 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834168161 605812766 /nfs/dbraw/zinc/81/27/66/605812766.db2.gz NOOUAZBQOJEDJE-ZWKOTPCHSA-N -1 1 381.517 2.164 20 0 GEADMM O=C([O-])N1CC[C@H](CCC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834071176 605812895 /nfs/dbraw/zinc/81/28/95/605812895.db2.gz GFYHUALZTKZTEP-SFHVURJKSA-N -1 1 381.517 2.118 20 0 GEADMM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000834110357 605823023 /nfs/dbraw/zinc/82/30/23/605823023.db2.gz WNPDKOPWHUORFV-HUUCEWRRSA-N -1 1 384.440 2.461 20 0 GEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000834093922 605942093 /nfs/dbraw/zinc/94/20/93/605942093.db2.gz TVOIGCZWNWOAKJ-OWCLPIDISA-N -1 1 376.457 2.343 20 0 GEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000834094451 605978847 /nfs/dbraw/zinc/97/88/47/605978847.db2.gz XDSNRAZXALNUQV-KGLIPLIRSA-N -1 1 388.403 2.037 20 0 GEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000834094451 605978850 /nfs/dbraw/zinc/97/88/50/605978850.db2.gz XDSNRAZXALNUQV-KGLIPLIRSA-N -1 1 388.403 2.037 20 0 GEADMM Cn1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c(C(F)F)n1 ZINC000833943098 606033022 /nfs/dbraw/zinc/03/30/22/606033022.db2.gz HGJXEZWWNPHZOX-UHFFFAOYSA-N -1 1 391.338 2.163 20 0 GEADMM Cn1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c(C(F)F)n1 ZINC000833943098 606033026 /nfs/dbraw/zinc/03/30/26/606033026.db2.gz HGJXEZWWNPHZOX-UHFFFAOYSA-N -1 1 391.338 2.163 20 0 GEADMM Cc1oc(NC(=O)CN(C)Cc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1C ZINC000822548601 606072950 /nfs/dbraw/zinc/07/29/50/606072950.db2.gz MNRDJVOLNCBRKO-UHFFFAOYSA-N -1 1 375.820 2.195 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823483649 606121314 /nfs/dbraw/zinc/12/13/14/606121314.db2.gz KNKYOOORGALGEC-CYBMUJFWSA-N -1 1 377.470 2.119 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823483649 606121316 /nfs/dbraw/zinc/12/13/16/606121316.db2.gz KNKYOOORGALGEC-CYBMUJFWSA-N -1 1 377.470 2.119 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000820513399 606134441 /nfs/dbraw/zinc/13/44/41/606134441.db2.gz ZBSXOMCFVQJGGN-VXGBXAGGSA-N -1 1 385.449 2.393 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000820513399 606134442 /nfs/dbraw/zinc/13/44/42/606134442.db2.gz ZBSXOMCFVQJGGN-VXGBXAGGSA-N -1 1 385.449 2.393 20 0 GEADMM CC(C)OC(=O)Cc1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000820142592 606135163 /nfs/dbraw/zinc/13/51/63/606135163.db2.gz PRUDSNCGMYPDBE-UHFFFAOYSA-N -1 1 393.450 2.236 20 0 GEADMM CC(C)OC(=O)Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000820142592 606135164 /nfs/dbraw/zinc/13/51/64/606135164.db2.gz PRUDSNCGMYPDBE-UHFFFAOYSA-N -1 1 393.450 2.236 20 0 GEADMM Cc1ccc(I)c(Oc2nccnc2-c2nn[n-]n2)c1 ZINC000822241423 606141210 /nfs/dbraw/zinc/14/12/10/606141210.db2.gz VQMPPULLZYNLEY-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@]2(CCCOC2)C1 ZINC000823606903 606146727 /nfs/dbraw/zinc/14/67/27/606146727.db2.gz PDJCHQPKEGMUSB-MRXNPFEDSA-N -1 1 397.888 2.101 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@]2(CCCOC2)C1 ZINC000823606903 606146728 /nfs/dbraw/zinc/14/67/28/606146728.db2.gz PDJCHQPKEGMUSB-MRXNPFEDSA-N -1 1 397.888 2.101 20 0 GEADMM CO[C@H](C)c1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000821675804 606167840 /nfs/dbraw/zinc/16/78/40/606167840.db2.gz UFHHBHOMMQYJSY-SNVBAGLBSA-N -1 1 399.367 2.006 20 0 GEADMM CO[C@H](C)c1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000821675804 606167841 /nfs/dbraw/zinc/16/78/41/606167841.db2.gz UFHHBHOMMQYJSY-SNVBAGLBSA-N -1 1 399.367 2.006 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000822620473 606169164 /nfs/dbraw/zinc/16/91/64/606169164.db2.gz SCKYOHBIXQZGQO-UHFFFAOYSA-N -1 1 398.761 2.177 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000822620473 606169166 /nfs/dbraw/zinc/16/91/66/606169166.db2.gz SCKYOHBIXQZGQO-UHFFFAOYSA-N -1 1 398.761 2.177 20 0 GEADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821678085 606170982 /nfs/dbraw/zinc/17/09/82/606170982.db2.gz JMQIQCPDJWDBFL-NOZJJQNGSA-N -1 1 390.835 2.151 20 0 GEADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821678085 606170983 /nfs/dbraw/zinc/17/09/83/606170983.db2.gz JMQIQCPDJWDBFL-NOZJJQNGSA-N -1 1 390.835 2.151 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Oc3ccccc3)nc2)n1 ZINC000822620481 606172260 /nfs/dbraw/zinc/17/22/60/606172260.db2.gz SPXXRFNADDENHM-UHFFFAOYSA-N -1 1 391.395 2.109 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Oc3ccccc3)nc2)n1 ZINC000822620481 606172263 /nfs/dbraw/zinc/17/22/63/606172263.db2.gz SPXXRFNADDENHM-UHFFFAOYSA-N -1 1 391.395 2.109 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000822609062 606173093 /nfs/dbraw/zinc/17/30/93/606173093.db2.gz IRDQOZUNQLLRIF-UHFFFAOYSA-N -1 1 388.382 2.290 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)n1 ZINC000822609062 606173094 /nfs/dbraw/zinc/17/30/94/606173094.db2.gz IRDQOZUNQLLRIF-UHFFFAOYSA-N -1 1 388.382 2.290 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933533 606177293 /nfs/dbraw/zinc/17/72/93/606177293.db2.gz VIKVRMPNJNOPJD-SNVBAGLBSA-N -1 1 379.442 2.485 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933533 606177294 /nfs/dbraw/zinc/17/72/94/606177294.db2.gz VIKVRMPNJNOPJD-SNVBAGLBSA-N -1 1 379.442 2.485 20 0 GEADMM Clc1ncc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1 ZINC000822591145 606183379 /nfs/dbraw/zinc/18/33/79/606183379.db2.gz SECQUGKIETUOQX-UHFFFAOYSA-N -1 1 392.876 2.164 20 0 GEADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000820667727 606195446 /nfs/dbraw/zinc/19/54/46/606195446.db2.gz NRTZOGNBKWBCPT-IINYFYTJSA-N -1 1 378.392 2.419 20 0 GEADMM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820254016 606292477 /nfs/dbraw/zinc/29/24/77/606292477.db2.gz MIBXJNTVURVAAN-SNVBAGLBSA-N -1 1 376.417 2.014 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819933249 606294949 /nfs/dbraw/zinc/29/49/49/606294949.db2.gz LAOCCQQUBXNWBX-LBPRGKRZSA-N -1 1 388.428 2.300 20 0 GEADMM Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822424125 606298176 /nfs/dbraw/zinc/29/81/76/606298176.db2.gz RWVVVLPROVUCFC-UHFFFAOYSA-N -1 1 380.393 2.047 20 0 GEADMM COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821654293 606393851 /nfs/dbraw/zinc/39/38/51/606393851.db2.gz ZMXWJJZXSPGUKH-CQSZACIVSA-N -1 1 390.469 2.488 20 0 GEADMM CNC(=O)CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821632931 606396716 /nfs/dbraw/zinc/39/67/16/606396716.db2.gz PJPURIPZIOWJFO-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM CNC(=O)CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821632931 606396717 /nfs/dbraw/zinc/39/67/17/606396717.db2.gz PJPURIPZIOWJFO-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM O=S1(=O)CCCN1c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823614378 606412063 /nfs/dbraw/zinc/41/20/63/606412063.db2.gz PHJIJXBQVDKNLY-UHFFFAOYSA-N -1 1 376.467 2.080 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000823478261 606450252 /nfs/dbraw/zinc/45/02/52/606450252.db2.gz IEBHWLREQISJBM-QGZVFWFLSA-N -1 1 378.436 2.126 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000823478261 606450254 /nfs/dbraw/zinc/45/02/54/606450254.db2.gz IEBHWLREQISJBM-QGZVFWFLSA-N -1 1 378.436 2.126 20 0 GEADMM COc1cccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)c2nccn2C)c1 ZINC000821863176 606498284 /nfs/dbraw/zinc/49/82/84/606498284.db2.gz INUFYACHCYVWOV-OAHLLOKOSA-N -1 1 395.448 2.190 20 0 GEADMM COc1cccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)c2nccn2C)c1 ZINC000821863176 606498286 /nfs/dbraw/zinc/49/82/86/606498286.db2.gz INUFYACHCYVWOV-OAHLLOKOSA-N -1 1 395.448 2.190 20 0 GEADMM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)nc1 ZINC000822242186 606515438 /nfs/dbraw/zinc/51/54/38/606515438.db2.gz CZCMHZUCYBVXIB-UHFFFAOYSA-N -1 1 397.464 2.123 20 0 GEADMM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)nc1 ZINC000822242186 606515440 /nfs/dbraw/zinc/51/54/40/606515440.db2.gz CZCMHZUCYBVXIB-UHFFFAOYSA-N -1 1 397.464 2.123 20 0 GEADMM CCOc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc(OCC)c1OCC ZINC000821395357 606530804 /nfs/dbraw/zinc/53/08/04/606530804.db2.gz WUBAABTUFUUDAL-UHFFFAOYSA-N -1 1 387.400 2.038 20 0 GEADMM CCOc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc(OCC)c1OCC ZINC000821395357 606530806 /nfs/dbraw/zinc/53/08/06/606530806.db2.gz WUBAABTUFUUDAL-UHFFFAOYSA-N -1 1 387.400 2.038 20 0 GEADMM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823041341 606532517 /nfs/dbraw/zinc/53/25/17/606532517.db2.gz ZKLJLEDBGUGCDM-UHFFFAOYSA-N -1 1 379.380 2.232 20 0 GEADMM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823041341 606532519 /nfs/dbraw/zinc/53/25/19/606532519.db2.gz ZKLJLEDBGUGCDM-UHFFFAOYSA-N -1 1 379.380 2.232 20 0 GEADMM O=C(CC1CCCC1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822940929 606555292 /nfs/dbraw/zinc/55/52/92/606555292.db2.gz KIVAQUNFIFVTLD-UHFFFAOYSA-N -1 1 388.497 2.183 20 0 GEADMM O=C(CC1CCCC1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822940929 606555294 /nfs/dbraw/zinc/55/52/94/606555294.db2.gz KIVAQUNFIFVTLD-UHFFFAOYSA-N -1 1 388.497 2.183 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C(=O)NC2CC2)c1 ZINC000821835546 606555333 /nfs/dbraw/zinc/55/53/33/606555333.db2.gz MNROFAIUJZFYSJ-UHFFFAOYSA-N -1 1 384.421 2.081 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C(=O)NC2CC2)c1 ZINC000821835546 606555335 /nfs/dbraw/zinc/55/53/35/606555335.db2.gz MNROFAIUJZFYSJ-UHFFFAOYSA-N -1 1 384.421 2.081 20 0 GEADMM CN(C)C(=O)Sc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821578026 606560696 /nfs/dbraw/zinc/56/06/96/606560696.db2.gz KCKBIBMFONQTHE-UHFFFAOYSA-N -1 1 384.421 2.392 20 0 GEADMM CN(C)C(=O)Sc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821578026 606560698 /nfs/dbraw/zinc/56/06/98/606560698.db2.gz KCKBIBMFONQTHE-UHFFFAOYSA-N -1 1 384.421 2.392 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1noc(C)n1 ZINC000821882679 606561686 /nfs/dbraw/zinc/56/16/86/606561686.db2.gz HXELUMSRWFJNHB-CQSZACIVSA-N -1 1 397.420 2.148 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1noc(C)n1 ZINC000821882679 606561688 /nfs/dbraw/zinc/56/16/88/606561688.db2.gz HXELUMSRWFJNHB-CQSZACIVSA-N -1 1 397.420 2.148 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820742713 606569192 /nfs/dbraw/zinc/56/91/92/606569192.db2.gz MINBNHXPMUEEMS-GHMZBOCLSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820742713 606569193 /nfs/dbraw/zinc/56/91/93/606569193.db2.gz MINBNHXPMUEEMS-GHMZBOCLSA-N -1 1 392.485 2.304 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822248578 606574793 /nfs/dbraw/zinc/57/47/93/606574793.db2.gz GTSSSWDWYZRGKO-UHFFFAOYSA-N -1 1 397.464 2.227 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822248578 606574795 /nfs/dbraw/zinc/57/47/95/606574795.db2.gz GTSSSWDWYZRGKO-UHFFFAOYSA-N -1 1 397.464 2.227 20 0 GEADMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820096649 606580301 /nfs/dbraw/zinc/58/03/01/606580301.db2.gz DIQPZZXCQYILIZ-SNVBAGLBSA-N -1 1 391.457 2.317 20 0 GEADMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820096649 606580302 /nfs/dbraw/zinc/58/03/02/606580302.db2.gz DIQPZZXCQYILIZ-SNVBAGLBSA-N -1 1 391.457 2.317 20 0 GEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821573584 606580572 /nfs/dbraw/zinc/58/05/72/606580572.db2.gz WJPXDWIVTMCSQO-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821573584 606580574 /nfs/dbraw/zinc/58/05/74/606580574.db2.gz WJPXDWIVTMCSQO-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823488472 606583136 /nfs/dbraw/zinc/58/31/36/606583136.db2.gz NWJCXKJIOLXMTF-UHFFFAOYSA-N -1 1 383.433 2.369 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000819971627 606590882 /nfs/dbraw/zinc/59/08/82/606590882.db2.gz OWZPNLUAGVQNCZ-ALCCZGGFSA-N -1 1 381.396 2.199 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000819971627 606590883 /nfs/dbraw/zinc/59/08/83/606590883.db2.gz OWZPNLUAGVQNCZ-ALCCZGGFSA-N -1 1 381.396 2.199 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000822223932 606625424 /nfs/dbraw/zinc/62/54/24/606625424.db2.gz PQFSKNHJUVCZLT-UHFFFAOYSA-N -1 1 383.433 2.495 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C1CC1)C(F)(F)F ZINC000822010091 606642213 /nfs/dbraw/zinc/64/22/13/606642213.db2.gz MTIXHULMDIUOSQ-CYBMUJFWSA-N -1 1 385.346 2.401 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823435873 606647690 /nfs/dbraw/zinc/64/76/90/606647690.db2.gz CDAJRTYKMJSSJB-GFCCVEGCSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823435873 606647691 /nfs/dbraw/zinc/64/76/91/606647691.db2.gz CDAJRTYKMJSSJB-GFCCVEGCSA-N -1 1 398.810 2.011 20 0 GEADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000820668997 606647918 /nfs/dbraw/zinc/64/79/18/606647918.db2.gz YJGRAOULCFPBNL-ABAIWWIYSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000820668997 606647919 /nfs/dbraw/zinc/64/79/19/606647919.db2.gz YJGRAOULCFPBNL-ABAIWWIYSA-N -1 1 378.392 2.213 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)n1Cc1ccccn1 ZINC000822184484 606648854 /nfs/dbraw/zinc/64/88/54/606648854.db2.gz VOWSLKZVZMIQGJ-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)n1Cc1ccccn1 ZINC000822184484 606648855 /nfs/dbraw/zinc/64/88/55/606648855.db2.gz VOWSLKZVZMIQGJ-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM COC(=O)CCCc1csc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821661521 606693999 /nfs/dbraw/zinc/69/39/99/606693999.db2.gz MTVLVEJLBRIAGV-UHFFFAOYSA-N -1 1 378.439 2.133 20 0 GEADMM COC(=O)CCCc1csc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821661521 606694000 /nfs/dbraw/zinc/69/40/00/606694000.db2.gz MTVLVEJLBRIAGV-UHFFFAOYSA-N -1 1 378.439 2.133 20 0 GEADMM Fc1cccnc1N1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822796443 606730275 /nfs/dbraw/zinc/73/02/75/606730275.db2.gz RDTLMTICXFJHOH-LLVKDONJSA-N -1 1 377.387 2.035 20 0 GEADMM Fc1cccnc1N1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822796443 606730276 /nfs/dbraw/zinc/73/02/76/606730276.db2.gz RDTLMTICXFJHOH-LLVKDONJSA-N -1 1 377.387 2.035 20 0 GEADMM O=C(N[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)c1cc2ccccc2o1 ZINC000823149672 606732457 /nfs/dbraw/zinc/73/24/57/606732457.db2.gz GBFBDKYOTWDVBB-AWEZNQCLSA-N -1 1 389.419 2.407 20 0 GEADMM O=C(N[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)c1cc2ccccc2o1 ZINC000823149672 606732458 /nfs/dbraw/zinc/73/24/58/606732458.db2.gz GBFBDKYOTWDVBB-AWEZNQCLSA-N -1 1 389.419 2.407 20 0 GEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1c1c(F)cccc1F ZINC000823514139 606733840 /nfs/dbraw/zinc/73/38/40/606733840.db2.gz WZDQLRHBXZBOGN-MRVPVSSYSA-N -1 1 397.798 2.472 20 0 GEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1c1c(F)cccc1F ZINC000823514139 606733841 /nfs/dbraw/zinc/73/38/41/606733841.db2.gz WZDQLRHBXZBOGN-MRVPVSSYSA-N -1 1 397.798 2.472 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000822535176 606752522 /nfs/dbraw/zinc/75/25/22/606752522.db2.gz IRVYIWMOMNOGES-MGPQQGTHSA-N -1 1 382.424 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000822535176 606752523 /nfs/dbraw/zinc/75/25/23/606752523.db2.gz IRVYIWMOMNOGES-MGPQQGTHSA-N -1 1 382.424 2.246 20 0 GEADMM O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823443360 606753078 /nfs/dbraw/zinc/75/30/78/606753078.db2.gz AHVYWGHYXMTDNO-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823443360 606753079 /nfs/dbraw/zinc/75/30/79/606753079.db2.gz AHVYWGHYXMTDNO-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2C[C@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822548300 606753493 /nfs/dbraw/zinc/75/34/93/606753493.db2.gz HOXVMKAGZYOKGT-HUUCEWRRSA-N -1 1 395.419 2.437 20 0 GEADMM COc1ccccc1N1CC[C@@H](Sc2nc(C)nc(C)c2-c2nn[n-]n2)C1=O ZINC000821896820 606793173 /nfs/dbraw/zinc/79/31/73/606793173.db2.gz BWFQYSSRNVRMJF-CQSZACIVSA-N -1 1 397.464 2.180 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cccc(C(C)C)n2)c(-c2nn[n-]n2)c1C ZINC000822548844 606800227 /nfs/dbraw/zinc/80/02/27/606800227.db2.gz PHDGIYKPCYEWKP-UHFFFAOYSA-N -1 1 384.396 2.390 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCS2)c1-c1nn[n-]n1 ZINC000821988665 606809723 /nfs/dbraw/zinc/80/97/23/606809723.db2.gz GHQHICYYDGUYLG-JTQLQIEISA-N -1 1 376.511 2.486 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[nH]n2)c(C)c1 ZINC000821845370 606821027 /nfs/dbraw/zinc/82/10/27/606821027.db2.gz FEPSNOXRFAZWKR-UHFFFAOYSA-N -1 1 388.453 2.051 20 0 GEADMM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820087449 606823453 /nfs/dbraw/zinc/82/34/53/606823453.db2.gz RXWXCXVVCDOUOY-KRWDZBQOSA-N -1 1 384.415 2.233 20 0 GEADMM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820087449 606823454 /nfs/dbraw/zinc/82/34/54/606823454.db2.gz RXWXCXVVCDOUOY-KRWDZBQOSA-N -1 1 384.415 2.233 20 0 GEADMM CCCCC[C@H](C)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821049722 606823551 /nfs/dbraw/zinc/82/35/51/606823551.db2.gz NDSNDNROXQKWHN-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCC[C@H](C)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821049722 606823552 /nfs/dbraw/zinc/82/35/52/606823552.db2.gz NDSNDNROXQKWHN-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)CC(C)(C)C ZINC000820220282 606824150 /nfs/dbraw/zinc/82/41/50/606824150.db2.gz QCPVWSYULZHRST-KBPBESRZSA-N -1 1 386.504 2.156 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)CC(C)(C)C ZINC000820220282 606824151 /nfs/dbraw/zinc/82/41/51/606824151.db2.gz QCPVWSYULZHRST-KBPBESRZSA-N -1 1 386.504 2.156 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000823123127 606824528 /nfs/dbraw/zinc/82/45/28/606824528.db2.gz OSWJGOOQDDWRJH-LJQANCHMSA-N -1 1 392.463 2.466 20 0 GEADMM CCCC(O)(CCC)CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821020728 606828757 /nfs/dbraw/zinc/82/87/57/606828757.db2.gz HDLJTOFYWBXBDQ-UHFFFAOYSA-N -1 1 393.444 2.280 20 0 GEADMM CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821610928 606841033 /nfs/dbraw/zinc/84/10/33/606841033.db2.gz KMFLBEWEHKFWND-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821221614 606842132 /nfs/dbraw/zinc/84/21/32/606842132.db2.gz KXPQYUBXCOHEEO-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822233508 606844005 /nfs/dbraw/zinc/84/40/05/606844005.db2.gz QJIIQXRNVHWUGR-CYBMUJFWSA-N -1 1 377.401 2.433 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ccccc2F)C1 ZINC000823607123 606844724 /nfs/dbraw/zinc/84/47/24/606844724.db2.gz QKRZQBXVZQAKEG-NSHDSACASA-N -1 1 391.403 2.323 20 0 GEADMM Cn1cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822693449 606845768 /nfs/dbraw/zinc/84/57/68/606845768.db2.gz FDSNGABUACDREJ-OAHLLOKOSA-N -1 1 390.444 2.260 20 0 GEADMM Cn1cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822693448 606845783 /nfs/dbraw/zinc/84/57/83/606845783.db2.gz FDSNGABUACDREJ-HNNXBMFYSA-N -1 1 390.444 2.260 20 0 GEADMM Cc1nc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)sc1C ZINC000822440200 606919732 /nfs/dbraw/zinc/91/97/32/606919732.db2.gz JXCAFCAVTWJOQV-UHFFFAOYSA-N -1 1 386.485 2.128 20 0 GEADMM Cc1cccc(C)c1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822293502 607006916 /nfs/dbraw/zinc/00/69/16/607006916.db2.gz AAFYJWRETYTDMW-UHFFFAOYSA-N -1 1 379.392 2.240 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c(F)cc(F)cc2C1 ZINC000823600897 607007417 /nfs/dbraw/zinc/00/74/17/607007417.db2.gz LTUKUOFGFBEHIV-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2)n[nH]1 ZINC000822211507 607018953 /nfs/dbraw/zinc/01/89/53/607018953.db2.gz BQAAYUPOHVQJAO-UHFFFAOYSA-N -1 1 397.420 2.491 20 0 GEADMM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c2)n1 ZINC000822198691 607024034 /nfs/dbraw/zinc/02/40/34/607024034.db2.gz GTANLKDGDWYGBY-UHFFFAOYSA-N -1 1 380.437 2.437 20 0 GEADMM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c2)n1 ZINC000822198691 607024036 /nfs/dbraw/zinc/02/40/36/607024036.db2.gz GTANLKDGDWYGBY-UHFFFAOYSA-N -1 1 380.437 2.437 20 0 GEADMM C[C@@H]1CC[C@H](CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820684586 607025467 /nfs/dbraw/zinc/02/54/67/607025467.db2.gz RNFDCJPQEALIPT-OLZOCXBDSA-N -1 1 385.472 2.207 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H](c1ccccc1)N1CCSCC1 ZINC000823380076 607103509 /nfs/dbraw/zinc/10/35/09/607103509.db2.gz PHGCWSMBLSJUPJ-ZDUSSCGKSA-N -1 1 387.494 2.052 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H](c1ccccc1)N1CCSCC1 ZINC000823380076 607103510 /nfs/dbraw/zinc/10/35/10/607103510.db2.gz PHGCWSMBLSJUPJ-ZDUSSCGKSA-N -1 1 387.494 2.052 20 0 GEADMM C[C@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCCN(C(=O)c2ccccc2)C1 ZINC000820577806 607106101 /nfs/dbraw/zinc/10/61/01/607106101.db2.gz VNSCQFFHGWTLAL-SFHVURJKSA-N -1 1 397.464 2.204 20 0 GEADMM C[C@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCCN(C(=O)c2ccccc2)C1 ZINC000820577806 607106103 /nfs/dbraw/zinc/10/61/03/607106103.db2.gz VNSCQFFHGWTLAL-SFHVURJKSA-N -1 1 397.464 2.204 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(OCCF)c2)cc1-c1nn[n-]n1 ZINC000821978862 607142193 /nfs/dbraw/zinc/14/21/93/607142193.db2.gz NHKBSQWTFZBYBM-UHFFFAOYSA-N -1 1 390.400 2.290 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cnc(Cl)cc2C)cc1-c1nn[n-]n1 ZINC000821977480 607161488 /nfs/dbraw/zinc/16/14/88/607161488.db2.gz HDNVOOXUISKEBJ-UHFFFAOYSA-N -1 1 377.817 2.298 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000822535625 607168975 /nfs/dbraw/zinc/16/89/75/607168975.db2.gz YQWXEOONNWMZQR-CYBMUJFWSA-N -1 1 382.424 2.390 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000822535625 607168976 /nfs/dbraw/zinc/16/89/76/607168976.db2.gz YQWXEOONNWMZQR-CYBMUJFWSA-N -1 1 382.424 2.390 20 0 GEADMM COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cc1CO ZINC000821831814 607191851 /nfs/dbraw/zinc/19/18/51/607191851.db2.gz NNHRNCRKYBRLQY-UHFFFAOYSA-N -1 1 394.391 2.312 20 0 GEADMM COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cc1CO ZINC000821831814 607191852 /nfs/dbraw/zinc/19/18/52/607191852.db2.gz NNHRNCRKYBRLQY-UHFFFAOYSA-N -1 1 394.391 2.312 20 0 GEADMM COc1ccc2nc(C3CC3)cc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2c1 ZINC000826213660 607786740 /nfs/dbraw/zinc/78/67/40/607786740.db2.gz GFKSUSOVZSIEGI-UHFFFAOYSA-N -1 1 390.407 2.287 20 0 GEADMM COc1ccc2nc(C3CC3)cc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2c1 ZINC000826213660 607786741 /nfs/dbraw/zinc/78/67/41/607786741.db2.gz GFKSUSOVZSIEGI-UHFFFAOYSA-N -1 1 390.407 2.287 20 0 GEADMM OC[C@@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826507513 607821027 /nfs/dbraw/zinc/82/10/27/607821027.db2.gz QBBMAIFBPKDAHZ-KUHUBIRLSA-N -1 1 376.420 2.311 20 0 GEADMM OC[C@@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826507513 607821028 /nfs/dbraw/zinc/82/10/28/607821028.db2.gz QBBMAIFBPKDAHZ-KUHUBIRLSA-N -1 1 376.420 2.311 20 0 GEADMM CCOc1ccc(CN(C)C(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825638702 607863369 /nfs/dbraw/zinc/86/33/69/607863369.db2.gz OANPZKYVIVTOAC-UHFFFAOYSA-N -1 1 385.399 2.442 20 0 GEADMM CCOc1ccc(CN(C)C(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825638702 607863370 /nfs/dbraw/zinc/86/33/70/607863370.db2.gz OANPZKYVIVTOAC-UHFFFAOYSA-N -1 1 385.399 2.442 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cccc(N2CCCC2=O)c1 ZINC000826418710 607865689 /nfs/dbraw/zinc/86/56/89/607865689.db2.gz SNUFXTWXXFVPCW-UHFFFAOYSA-N -1 1 396.382 2.150 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cccc(N2CCCC2=O)c1 ZINC000826418710 607865690 /nfs/dbraw/zinc/86/56/90/607865690.db2.gz SNUFXTWXXFVPCW-UHFFFAOYSA-N -1 1 396.382 2.150 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2=C(C)OCCC2)c1-c1nn[n-]n1 ZINC000824851979 607919407 /nfs/dbraw/zinc/91/94/07/607919407.db2.gz HBEQLGYNLKRKTF-UHFFFAOYSA-N -1 1 380.408 2.488 20 0 GEADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1c(C)noc1C ZINC000825134640 607962437 /nfs/dbraw/zinc/96/24/37/607962437.db2.gz VYMRAGRNKUSQNN-NSHDSACASA-N -1 1 389.441 2.175 20 0 GEADMM Cc1ccc(C)c(OCc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)o2)c1 ZINC000826284782 607988563 /nfs/dbraw/zinc/98/85/63/607988563.db2.gz FRDORKYOUGNSQT-UHFFFAOYSA-N -1 1 382.409 2.387 20 0 GEADMM Cc1ccc(C)c(OCc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)o2)c1 ZINC000826284782 607988564 /nfs/dbraw/zinc/98/85/64/607988564.db2.gz FRDORKYOUGNSQT-UHFFFAOYSA-N -1 1 382.409 2.387 20 0 GEADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825081151 607994037 /nfs/dbraw/zinc/99/40/37/607994037.db2.gz GWGDGJSDSIFCNI-PWSUYJOCSA-N -1 1 390.513 2.388 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(O)(c1ccccc1)c1ccccc1 ZINC000826451302 607998129 /nfs/dbraw/zinc/99/81/29/607998129.db2.gz ZWEURXGNYKYXGY-UHFFFAOYSA-N -1 1 387.399 2.447 20 0 GEADMM Cc1nc(COc2cccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2)no1 ZINC000826326663 607999672 /nfs/dbraw/zinc/99/96/72/607999672.db2.gz ZBEKOSABKSBKAQ-UHFFFAOYSA-N -1 1 393.363 2.095 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cccc(CSc2ccccn2)c1 ZINC000826425302 608013661 /nfs/dbraw/zinc/01/36/61/608013661.db2.gz XOCKUIWGIVAKJU-UHFFFAOYSA-N -1 1 392.448 2.389 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cccc(CSc2ccccn2)c1 ZINC000826425302 608013662 /nfs/dbraw/zinc/01/36/62/608013662.db2.gz XOCKUIWGIVAKJU-UHFFFAOYSA-N -1 1 392.448 2.389 20 0 GEADMM O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1sccc1-c1nn[n-]n1 ZINC000826462027 608029122 /nfs/dbraw/zinc/02/91/22/608029122.db2.gz MHRCVCNYLZZEQM-CQSZACIVSA-N -1 1 383.433 2.276 20 0 GEADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(C(=O)c2ccccc2)c1 ZINC000824052375 608077754 /nfs/dbraw/zinc/07/77/54/608077754.db2.gz NVQFEVQVXBBTLO-LBPRGKRZSA-N -1 1 387.403 2.320 20 0 GEADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ncc1Br ZINC000826180749 608103310 /nfs/dbraw/zinc/10/33/10/608103310.db2.gz VOUJKZMQVKVRLW-UHFFFAOYSA-N -1 1 381.215 2.347 20 0 GEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ncc1Br ZINC000826180749 608103311 /nfs/dbraw/zinc/10/33/11/608103311.db2.gz VOUJKZMQVKVRLW-UHFFFAOYSA-N -1 1 381.215 2.347 20 0 GEADMM CCc1csc(-n2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cn2)n1 ZINC000825739713 608107515 /nfs/dbraw/zinc/10/75/15/608107515.db2.gz ILFXBOGWKDVFMJ-UHFFFAOYSA-N -1 1 382.409 2.029 20 0 GEADMM O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1sccc1-c1nn[n-]n1 ZINC000826462411 608116622 /nfs/dbraw/zinc/11/66/22/608116622.db2.gz XHDKUBPDLFCYSI-ZDUSSCGKSA-N -1 1 387.396 2.420 20 0 GEADMM CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029089 608121195 /nfs/dbraw/zinc/12/11/95/608121195.db2.gz OCUZMLGALHMRMN-DOMZBBRYSA-N -1 1 390.419 2.382 20 0 GEADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826334322 608171699 /nfs/dbraw/zinc/17/16/99/608171699.db2.gz QDEFUTSVHKBRJQ-UHFFFAOYSA-N -1 1 395.345 2.129 20 0 GEADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000826011091 608183484 /nfs/dbraw/zinc/18/34/84/608183484.db2.gz WQRMFUHKIJKGCJ-JTQLQIEISA-N -1 1 393.835 2.357 20 0 GEADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000826011091 608183485 /nfs/dbraw/zinc/18/34/85/608183485.db2.gz WQRMFUHKIJKGCJ-JTQLQIEISA-N -1 1 393.835 2.357 20 0 GEADMM CCOC(=O)c1cnn(-c2snc(Cl)c2-c2nnn[n-]2)c1C(F)F ZINC000825564841 608183981 /nfs/dbraw/zinc/18/39/81/608183981.db2.gz HKGOZXOUVZTHOF-UHFFFAOYSA-N -1 1 375.748 2.277 20 0 GEADMM CCOC(=O)c1cnn(-c2snc(Cl)c2-c2nn[n-]n2)c1C(F)F ZINC000825564841 608183983 /nfs/dbraw/zinc/18/39/83/608183983.db2.gz HKGOZXOUVZTHOF-UHFFFAOYSA-N -1 1 375.748 2.277 20 0 GEADMM CN(Cc1nc(-c2cccnc2)no1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825992129 608188578 /nfs/dbraw/zinc/18/85/78/608188578.db2.gz QFKGBCBECJWBCK-UHFFFAOYSA-N -1 1 375.805 2.058 20 0 GEADMM CN(Cc1nc(-c2cccnc2)no1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825992129 608188580 /nfs/dbraw/zinc/18/85/80/608188580.db2.gz QFKGBCBECJWBCK-UHFFFAOYSA-N -1 1 375.805 2.058 20 0 GEADMM COc1ccc(-c2nc(SCc3ccn(C)n3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181596 608218553 /nfs/dbraw/zinc/21/85/53/608218553.db2.gz GHTTZHZMLOABED-UHFFFAOYSA-N -1 1 396.436 2.064 20 0 GEADMM COC(=O)C(C)(C)[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826098825 608238022 /nfs/dbraw/zinc/23/80/22/608238022.db2.gz QDJQHSOIRCHVKD-LBPRGKRZSA-N -1 1 381.440 2.226 20 0 GEADMM COC(=O)C(C)(C)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826098825 608238024 /nfs/dbraw/zinc/23/80/24/608238024.db2.gz QDJQHSOIRCHVKD-LBPRGKRZSA-N -1 1 381.440 2.226 20 0 GEADMM FC(F)(F)c1ccc(O[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)nc1 ZINC000826368897 608243454 /nfs/dbraw/zinc/24/34/54/608243454.db2.gz FOHCDTAJERYOFF-LLVKDONJSA-N -1 1 377.330 2.333 20 0 GEADMM FC(F)(F)c1ccc(O[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)nc1 ZINC000826368897 608243456 /nfs/dbraw/zinc/24/34/56/608243456.db2.gz FOHCDTAJERYOFF-LLVKDONJSA-N -1 1 377.330 2.333 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Oc1ccc2cncnc2c1 ZINC000826232815 608273113 /nfs/dbraw/zinc/27/31/13/608273113.db2.gz JOUFGSVQHWBWAM-UHFFFAOYSA-N -1 1 391.391 2.066 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(c3ccc(F)cc3Cl)CC2)n1 ZINC000826357133 608306710 /nfs/dbraw/zinc/30/67/10/608306710.db2.gz SKTXSNDUZORUBQ-UHFFFAOYSA-N -1 1 390.810 2.246 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(c3ccc(F)cc3Cl)CC2)n1 ZINC000826357133 608306712 /nfs/dbraw/zinc/30/67/12/608306712.db2.gz SKTXSNDUZORUBQ-UHFFFAOYSA-N -1 1 390.810 2.246 20 0 GEADMM CCCN(CC(=O)OCC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825307501 608310043 /nfs/dbraw/zinc/31/00/43/608310043.db2.gz BSCWYLTUIVSNOW-UHFFFAOYSA-N -1 1 383.456 2.136 20 0 GEADMM CCC(CC)(CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825089300 608358372 /nfs/dbraw/zinc/35/83/72/608358372.db2.gz CHAZWSYNNZAIIA-UHFFFAOYSA-N -1 1 390.492 2.089 20 0 GEADMM CCC(CC)(CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825089300 608358374 /nfs/dbraw/zinc/35/83/74/608358374.db2.gz CHAZWSYNNZAIIA-UHFFFAOYSA-N -1 1 390.492 2.089 20 0 GEADMM c1cc2c(ccnc2N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826518922 608366820 /nfs/dbraw/zinc/36/68/20/608366820.db2.gz COWXUMZDIGXCLB-UHFFFAOYSA-N -1 1 378.396 2.200 20 0 GEADMM COc1ccc(-c2nc(SCc3ccnn3C)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181664 608396450 /nfs/dbraw/zinc/39/64/50/608396450.db2.gz JRNWANRJTKPWBA-UHFFFAOYSA-N -1 1 396.436 2.064 20 0 GEADMM Clc1nsc(N2CCC[C@H](c3nncn3C3CC3)C2)c1-c1nnn[n-]1 ZINC000826353899 608408855 /nfs/dbraw/zinc/40/88/55/608408855.db2.gz IINZVILWSATUEF-QMMMGPOBSA-N -1 1 377.865 2.287 20 0 GEADMM Clc1nsc(N2CCC[C@H](c3nncn3C3CC3)C2)c1-c1nn[n-]n1 ZINC000826353899 608408857 /nfs/dbraw/zinc/40/88/57/608408857.db2.gz IINZVILWSATUEF-QMMMGPOBSA-N -1 1 377.865 2.287 20 0 GEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000824655118 608417677 /nfs/dbraw/zinc/41/76/77/608417677.db2.gz BHQXNIWIOZKGEE-GFCCVEGCSA-N -1 1 387.407 2.477 20 0 GEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000824655118 608417679 /nfs/dbraw/zinc/41/76/79/608417679.db2.gz BHQXNIWIOZKGEE-GFCCVEGCSA-N -1 1 387.407 2.477 20 0 GEADMM CN(C)C(=O)C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)c2ccc(Cl)cc21 ZINC000825839191 608422912 /nfs/dbraw/zinc/42/29/12/608422912.db2.gz GWNYDKDQVAJWGY-SNVBAGLBSA-N -1 1 384.831 2.024 20 0 GEADMM CN(C)C(=O)C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)c2ccc(Cl)cc21 ZINC000825839191 608422914 /nfs/dbraw/zinc/42/29/14/608422914.db2.gz GWNYDKDQVAJWGY-SNVBAGLBSA-N -1 1 384.831 2.024 20 0 GEADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccc(Br)cc1 ZINC000824426812 608425765 /nfs/dbraw/zinc/42/57/65/608425765.db2.gz IMIYGPMMRFTOSC-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccc(Br)cc1 ZINC000824426812 608425766 /nfs/dbraw/zinc/42/57/66/608425766.db2.gz IMIYGPMMRFTOSC-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM CCN(CC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(=O)OC(C)(C)C ZINC000825416608 608427908 /nfs/dbraw/zinc/42/79/08/608427908.db2.gz KXAUOMVWLUJFCN-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM CCN(CC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(=O)OC(C)(C)C ZINC000825416608 608427910 /nfs/dbraw/zinc/42/79/10/608427910.db2.gz KXAUOMVWLUJFCN-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM Cc1ccc(I)c(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826289895 608428532 /nfs/dbraw/zinc/42/85/32/608428532.db2.gz QTMSHZZPEMAUPR-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM Cc1ccc(I)c(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826289895 608428534 /nfs/dbraw/zinc/42/85/34/608428534.db2.gz QTMSHZZPEMAUPR-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM FC(F)(F)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826368313 608437582 /nfs/dbraw/zinc/43/75/82/608437582.db2.gz LHJCNRISRHTZPQ-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM FC(F)(F)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826368313 608437583 /nfs/dbraw/zinc/43/75/83/608437583.db2.gz LHJCNRISRHTZPQ-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000826280451 608544226 /nfs/dbraw/zinc/54/42/26/608544226.db2.gz CCOCDBQQSMCDOG-INIZCTEOSA-N -1 1 379.424 2.300 20 0 GEADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000824041184 608557549 /nfs/dbraw/zinc/55/75/49/608557549.db2.gz YTNNAXWEZROHEM-MRVPVSSYSA-N -1 1 394.892 2.082 20 0 GEADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000824041184 608557551 /nfs/dbraw/zinc/55/75/51/608557551.db2.gz YTNNAXWEZROHEM-MRVPVSSYSA-N -1 1 394.892 2.082 20 0 GEADMM Cc1cccc(C=O)c1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826297642 608562657 /nfs/dbraw/zinc/56/26/57/608562657.db2.gz NQXRBLLVRDJRNP-UHFFFAOYSA-N -1 1 378.797 2.409 20 0 GEADMM c1nnc([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1C1CC1 ZINC000826523394 608668298 /nfs/dbraw/zinc/66/82/98/608668298.db2.gz LHDSQDMLNNFCRU-GFCCVEGCSA-N -1 1 388.439 2.120 20 0 GEADMM c1nnc([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1C1CC1 ZINC000826523394 608668301 /nfs/dbraw/zinc/66/83/01/608668301.db2.gz LHDSQDMLNNFCRU-GFCCVEGCSA-N -1 1 388.439 2.120 20 0 GEADMM O[C@H](C[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000826503266 608837587 /nfs/dbraw/zinc/83/75/87/608837587.db2.gz UMDDAVKZUWZDIX-WCQYABFASA-N -1 1 377.495 2.314 20 0 GEADMM O[C@H](C[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000826503265 608837613 /nfs/dbraw/zinc/83/76/13/608837613.db2.gz UMDDAVKZUWZDIX-DGCLKSJQSA-N -1 1 377.495 2.314 20 0 GEADMM Cc1cc2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2[nH]1 ZINC000826272795 609158315 /nfs/dbraw/zinc/15/83/15/609158315.db2.gz BHLRTIJTONYKMD-UHFFFAOYSA-N -1 1 394.443 2.058 20 0 GEADMM Cc1cc2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2[nH]1 ZINC000826272795 609158316 /nfs/dbraw/zinc/15/83/16/609158316.db2.gz BHLRTIJTONYKMD-UHFFFAOYSA-N -1 1 394.443 2.058 20 0 GEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c3nn[nH]n3)c1)OCO2 ZINC000826273158 609274204 /nfs/dbraw/zinc/27/42/04/609274204.db2.gz RUHVZFPTYBHYKS-UHFFFAOYSA-N -1 1 393.812 2.358 20 0 GEADMM O=C(CCc1ccccc1O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409269 609289329 /nfs/dbraw/zinc/28/93/29/609289329.db2.gz POMZOXBSYUPAHH-UHFFFAOYSA-N -1 1 393.382 2.468 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CC1(Cl)Cl ZINC000826458192 609290041 /nfs/dbraw/zinc/29/00/41/609290041.db2.gz HEBGNJSIMKGLKL-ZETCQYMHSA-N -1 1 382.186 2.324 20 0 GEADMM Cc1ccc(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826281201 609291291 /nfs/dbraw/zinc/29/12/91/609291291.db2.gz IHXVEISIKJIXFE-UHFFFAOYSA-N -1 1 391.366 2.321 20 0 GEADMM Cc1cc(Cl)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826267535 609297011 /nfs/dbraw/zinc/29/70/11/609297011.db2.gz KACPJSZZDZIAQL-UHFFFAOYSA-N -1 1 388.863 2.147 20 0 GEADMM Cc1cc(Cl)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826267535 609297013 /nfs/dbraw/zinc/29/70/13/609297013.db2.gz KACPJSZZDZIAQL-UHFFFAOYSA-N -1 1 388.863 2.147 20 0 GEADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826283450 609300877 /nfs/dbraw/zinc/30/08/77/609300877.db2.gz REJJFVQFVLFYJH-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826283450 609300879 /nfs/dbraw/zinc/30/08/79/609300879.db2.gz REJJFVQFVLFYJH-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825268170 609302282 /nfs/dbraw/zinc/30/22/82/609302282.db2.gz RFWAZPDOIKTTGY-STQMWFEESA-N -1 1 389.508 2.105 20 0 GEADMM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825268170 609302283 /nfs/dbraw/zinc/30/22/83/609302283.db2.gz RFWAZPDOIKTTGY-STQMWFEESA-N -1 1 389.508 2.105 20 0 GEADMM O=C(CC1(O)CCCCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403992 609312065 /nfs/dbraw/zinc/31/20/65/609312065.db2.gz KRIXWMRRMLOVFV-UHFFFAOYSA-N -1 1 385.403 2.215 20 0 GEADMM CNc1snc(C)c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826098354 609313092 /nfs/dbraw/zinc/31/30/92/609313092.db2.gz BVAUKMFFTAEXDS-UHFFFAOYSA-N -1 1 399.415 2.250 20 0 GEADMM O=C(CCc1ccncc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409165 609313412 /nfs/dbraw/zinc/31/34/12/609313412.db2.gz LHFRWESFGQHTHJ-UHFFFAOYSA-N -1 1 378.371 2.158 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cc(OCC(F)F)ccn2)n1 ZINC000824147149 609325280 /nfs/dbraw/zinc/32/52/80/609325280.db2.gz AHGMVABPICFYGB-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cc(OCC(F)F)ccn2)n1 ZINC000824147149 609325282 /nfs/dbraw/zinc/32/52/82/609325282.db2.gz AHGMVABPICFYGB-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM Cc1cc(CN(C)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826266750 609358800 /nfs/dbraw/zinc/35/88/00/609358800.db2.gz ZTWZRYHFGAOIKY-UHFFFAOYSA-N -1 1 397.374 2.152 20 0 GEADMM CSC[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228124 609358958 /nfs/dbraw/zinc/35/89/58/609358958.db2.gz FQMMJJQAEONTKO-VIFPVBQESA-N -1 1 376.421 2.065 20 0 GEADMM CSCC[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228151 609363880 /nfs/dbraw/zinc/36/38/80/609363880.db2.gz GOVRTHOXEDLTEH-SNVBAGLBSA-N -1 1 390.448 2.455 20 0 GEADMM Cc1cccnc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826308029 609363889 /nfs/dbraw/zinc/36/38/89/609363889.db2.gz GJJKCXCHIWKMTB-UHFFFAOYSA-N -1 1 393.386 2.217 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000826341109 609404821 /nfs/dbraw/zinc/40/48/21/609404821.db2.gz WVXCVEAARAMTMB-ZIAGYGMSSA-N -1 1 384.440 2.182 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000826341109 609404823 /nfs/dbraw/zinc/40/48/23/609404823.db2.gz WVXCVEAARAMTMB-ZIAGYGMSSA-N -1 1 384.440 2.182 20 0 GEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824507161 609456388 /nfs/dbraw/zinc/45/63/88/609456388.db2.gz VBODQYMVAPTCRS-WDEREUQCSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824507161 609456390 /nfs/dbraw/zinc/45/63/90/609456390.db2.gz VBODQYMVAPTCRS-WDEREUQCSA-N -1 1 392.485 2.304 20 0 GEADMM CC(C)c1nc([C@H]2COCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000824359630 609494716 /nfs/dbraw/zinc/49/47/16/609494716.db2.gz YZGWSLGUSLGSFV-SSDOTTSWSA-N -1 1 382.837 2.061 20 0 GEADMM CC(C)c1nc([C@H]2COCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000824359630 609494717 /nfs/dbraw/zinc/49/47/17/609494717.db2.gz YZGWSLGUSLGSFV-SSDOTTSWSA-N -1 1 382.837 2.061 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC=C(c3ccccc3F)C2)cc1-c1nn[n-]n1 ZINC000826229708 609500675 /nfs/dbraw/zinc/50/06/75/609500675.db2.gz OCNVIQFKGOHZQM-UHFFFAOYSA-N -1 1 398.423 2.368 20 0 GEADMM CC[C@@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825060013 609505852 /nfs/dbraw/zinc/50/58/52/609505852.db2.gz NHUXQVIAPSQACE-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM CC[C@@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825060013 609505855 /nfs/dbraw/zinc/50/58/55/609505855.db2.gz NHUXQVIAPSQACE-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000826461944 609525360 /nfs/dbraw/zinc/52/53/60/609525360.db2.gz KRGMZMFQYAWDKD-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1F ZINC000826462109 609531239 /nfs/dbraw/zinc/53/12/39/609531239.db2.gz ORMULOXEFUNABA-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM O=S(=O)(NCc1cc(Cl)ccn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492179 609570649 /nfs/dbraw/zinc/57/06/49/609570649.db2.gz WSGSSRJQRQJSND-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=S(=O)(NCc1cc(Cl)ccn1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492179 609570650 /nfs/dbraw/zinc/57/06/50/609570650.db2.gz WSGSSRJQRQJSND-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC(C)(C)C1 ZINC000824865129 609592647 /nfs/dbraw/zinc/59/26/47/609592647.db2.gz HEMBKFSPTVGIFL-RBSFLKMASA-N -1 1 398.515 2.156 20 0 GEADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC(C)(C)C1 ZINC000824865129 609592648 /nfs/dbraw/zinc/59/26/48/609592648.db2.gz HEMBKFSPTVGIFL-RBSFLKMASA-N -1 1 398.515 2.156 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)o1 ZINC000447715599 650008204 /nfs/dbraw/zinc/00/82/04/650008204.db2.gz PYSMFYMFARFQIA-GFCCVEGCSA-N -1 1 380.319 2.202 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccco2)c(F)c1 ZINC000450961876 650076685 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CCn1ncc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000528448530 650694031 /nfs/dbraw/zinc/69/40/31/650694031.db2.gz ZSJMBNAMFGUYJB-UHFFFAOYSA-N -1 1 379.667 2.192 20 0 GEADMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485790776 650700292 /nfs/dbraw/zinc/70/02/92/650700292.db2.gz XCZFRAVAFFXJEZ-VHSXEESVSA-N -1 1 392.253 2.429 20 0 GEADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@H](C(N)=O)C1 ZINC000487447463 650733803 /nfs/dbraw/zinc/73/38/03/650733803.db2.gz OPJRWUNECQXVIZ-SKDRFNHKSA-N -1 1 392.253 2.429 20 0 GEADMM O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N[N-]C(=O)c1cccs1 ZINC000010537870 642360798 /nfs/dbraw/zinc/36/07/98/642360798.db2.gz OWTFUFSOWWYZDD-XFFZJAGNSA-N -1 1 393.471 2.307 20 0 GEADMM Cc1cccc(OCC(=O)NNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000016495117 642390373 /nfs/dbraw/zinc/39/03/73/642390373.db2.gz LSYPSQBCYBUUEV-UHFFFAOYSA-N -1 1 379.210 2.303 20 0 GEADMM O=C(NC1=NCCS1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000023028025 642410555 /nfs/dbraw/zinc/41/05/55/642410555.db2.gz YCBNHYLCTCIOPX-UHFFFAOYSA-N -1 1 379.438 2.459 20 0 GEADMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000024103216 642415974 /nfs/dbraw/zinc/41/59/74/642415974.db2.gz SWEKZPQZFNLWPX-UHFFFAOYSA-N -1 1 385.423 2.076 20 0 GEADMM O=[S@@]1CC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)C1 ZINC000532907028 650754707 /nfs/dbraw/zinc/75/47/07/650754707.db2.gz XQSGJXJCTFXUKT-YDGUKXNOSA-N -1 1 387.433 2.094 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000029044953 642457557 /nfs/dbraw/zinc/45/75/57/642457557.db2.gz UMCZVPWPTVVXPW-UHFFFAOYSA-N -1 1 394.396 2.414 20 0 GEADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000533075245 650756429 /nfs/dbraw/zinc/75/64/29/650756429.db2.gz LZIORKXAMSLLTP-UHFFFAOYSA-N -1 1 380.539 2.308 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC(F)(F)F)o1 ZINC000031534176 642484607 /nfs/dbraw/zinc/48/46/07/642484607.db2.gz UPUPRONLQQZOLM-UHFFFAOYSA-N -1 1 378.328 2.016 20 0 GEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1Cl ZINC000031720906 642490170 /nfs/dbraw/zinc/49/01/70/642490170.db2.gz IHHHXAYYQXYDEA-UHFFFAOYSA-N -1 1 378.793 2.346 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000532761098 650752762 /nfs/dbraw/zinc/75/27/62/650752762.db2.gz AAIFTLMAEXCIED-UHFFFAOYSA-N -1 1 378.237 2.372 20 0 GEADMM CCCS(=O)(=O)Nc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000036744153 642510398 /nfs/dbraw/zinc/51/03/98/642510398.db2.gz YQCKENJCGRJIBN-UHFFFAOYSA-N -1 1 377.348 2.228 20 0 GEADMM Cc1nccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)n1 ZINC000041066572 642525620 /nfs/dbraw/zinc/52/56/20/642525620.db2.gz NFEXFLYTEFXHPE-UHFFFAOYSA-N -1 1 377.651 2.074 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2nnsc2Cl)o1 ZINC000042263630 642547519 /nfs/dbraw/zinc/54/75/19/642547519.db2.gz BPYCKKHQABWERR-UHFFFAOYSA-N -1 1 379.847 2.218 20 0 GEADMM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000044242989 642571204 /nfs/dbraw/zinc/57/12/04/642571204.db2.gz VJGOFEKHDNFNCU-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM CN(C)[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1Cl ZINC000045797752 642596910 /nfs/dbraw/zinc/59/69/10/642596910.db2.gz VILFHHFDOFLESG-LBPRGKRZSA-N -1 1 377.297 2.308 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)o1 ZINC000046316117 642609749 /nfs/dbraw/zinc/60/97/49/642609749.db2.gz MIXKPLRXNJSZIV-SECBINFHSA-N -1 1 386.813 2.025 20 0 GEADMM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)ccc1[O-] ZINC000047103320 642621723 /nfs/dbraw/zinc/62/17/23/642621723.db2.gz NTPMVOKZFGRZKW-UHFFFAOYSA-N -1 1 390.237 2.343 20 0 GEADMM O=C(COC(=O)CSc1ccc(Cl)cc1)N[N-]C(=O)c1cccs1 ZINC000049567321 642669404 /nfs/dbraw/zinc/66/94/04/642669404.db2.gz QXNCFDSMBVZGLM-UHFFFAOYSA-N -1 1 384.866 2.498 20 0 GEADMM Cn1c(Cc2csc(NC(=O)CNC(=O)CC(C)(C)C)n2)n[n-]c1=S ZINC000053797900 642739005 /nfs/dbraw/zinc/73/90/05/642739005.db2.gz LQVFQVYHCAZADB-UHFFFAOYSA-N -1 1 382.515 2.016 20 0 GEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C[C@@H](C)O1 ZINC000054798402 642759695 /nfs/dbraw/zinc/75/96/95/642759695.db2.gz PCMJLHLJFXLYTC-GHMZBOCLSA-N -1 1 380.432 2.270 20 0 GEADMM O=C(NC[C@H](O)COc1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000056671272 642796611 /nfs/dbraw/zinc/79/66/11/642796611.db2.gz ORWYXFOTNDUTKJ-LBPRGKRZSA-N -1 1 384.201 2.464 20 0 GEADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000057123672 642805961 /nfs/dbraw/zinc/80/59/61/642805961.db2.gz KTCWMQNPQCAOOR-LBPRGKRZSA-N -1 1 384.479 2.312 20 0 GEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000065841505 642890139 /nfs/dbraw/zinc/89/01/39/642890139.db2.gz IRKNNVNWDBHVIJ-UHFFFAOYSA-N -1 1 382.463 2.104 20 0 GEADMM Cn1cnn(-c2ccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cc2)c1=O ZINC000536116181 650796975 /nfs/dbraw/zinc/79/69/75/650796975.db2.gz BKGSVHBCTFUNEH-UHFFFAOYSA-N -1 1 382.804 2.164 20 0 GEADMM Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066625645 642928243 /nfs/dbraw/zinc/92/82/43/642928243.db2.gz DGHLMCVNISCMLQ-LLVKDONJSA-N -1 1 379.511 2.163 20 0 GEADMM O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638033 642930227 /nfs/dbraw/zinc/93/02/27/642930227.db2.gz IBKPTZPPWRCFTD-UHFFFAOYSA-N -1 1 386.886 2.019 20 0 GEADMM Cc1cnc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])s1 ZINC000536207966 650798456 /nfs/dbraw/zinc/79/84/56/650798456.db2.gz BXYWHDBWDLCOJV-UHFFFAOYSA-N -1 1 381.479 2.123 20 0 GEADMM Cn1c(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)n[n-]c1=S ZINC000067051214 642960788 /nfs/dbraw/zinc/96/07/88/642960788.db2.gz DRVCPDGNWNSFAU-SECBINFHSA-N -1 1 399.929 2.156 20 0 GEADMM CCn1c(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)n[n-]c1=S ZINC000067050424 642960975 /nfs/dbraw/zinc/96/09/75/642960975.db2.gz RIDIQKOOSJOEMX-CQSZACIVSA-N -1 1 388.559 2.349 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)NCc1ccco1 ZINC000068348119 642990494 /nfs/dbraw/zinc/99/04/94/642990494.db2.gz TZXOQAGYBARRNG-QMMMGPOBSA-N -1 1 393.284 2.087 20 0 GEADMM CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)N1CCOCC1 ZINC000068367997 642991692 /nfs/dbraw/zinc/99/16/92/642991692.db2.gz CYFFLSAXOVZPFR-GFCCVEGCSA-N -1 1 380.432 2.129 20 0 GEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000068452890 642998409 /nfs/dbraw/zinc/99/84/09/642998409.db2.gz MTYXBSUJYAUCRF-UHFFFAOYSA-N -1 1 386.543 2.024 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1c1ccccc1 ZINC000068941804 643017209 /nfs/dbraw/zinc/01/72/09/643017209.db2.gz IAAKNHBHNPMKJQ-NSHDSACASA-N -1 1 386.260 2.472 20 0 GEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)cc1 ZINC000536992838 650809464 /nfs/dbraw/zinc/80/94/64/650809464.db2.gz YNNDMVGMSKUABK-UHFFFAOYSA-N -1 1 383.491 2.221 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000094075330 643086325 /nfs/dbraw/zinc/08/63/25/643086325.db2.gz FQEWKLBQJBYDMS-GFCCVEGCSA-N -1 1 385.283 2.292 20 0 GEADMM Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1Br ZINC000537501956 650814652 /nfs/dbraw/zinc/81/46/52/650814652.db2.gz ODODAUITKCFSNN-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM Cc1ccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c(C)c1 ZINC000102932719 643146832 /nfs/dbraw/zinc/14/68/32/643146832.db2.gz WCZLJSWKRZNAAE-UHFFFAOYSA-N -1 1 386.470 2.293 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1F ZINC000105591526 643211013 /nfs/dbraw/zinc/21/10/13/643211013.db2.gz YSVRSXGAJVSCJP-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM O=C1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2)CCN1 ZINC000109424615 643296713 /nfs/dbraw/zinc/29/67/13/643296713.db2.gz PRCAOBJSSMVEGP-UHFFFAOYSA-N -1 1 383.832 2.216 20 0 GEADMM Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000538093303 650829698 /nfs/dbraw/zinc/82/96/98/650829698.db2.gz WCPHKTKTYJPMEM-UHFFFAOYSA-N -1 1 388.243 2.298 20 0 GEADMM O=C(NCCCNC(=O)c1cncc([O-])c1)c1cccc(Br)c1 ZINC000111592463 643342346 /nfs/dbraw/zinc/34/23/46/643342346.db2.gz MGUGSPCFVQGDSU-UHFFFAOYSA-N -1 1 378.226 2.100 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCCOc2ccccc2Cl)c1 ZINC000538951289 650839683 /nfs/dbraw/zinc/83/96/83/650839683.db2.gz FDUKYGSYTRWTKV-UHFFFAOYSA-N -1 1 384.841 2.491 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 ZINC000117312725 643486527 /nfs/dbraw/zinc/48/65/27/643486527.db2.gz BTZVTZGTJZMPOJ-UHFFFAOYSA-N -1 1 394.293 2.145 20 0 GEADMM NC(=O)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)Cc1ccc(F)cc1 ZINC000119069396 643532905 /nfs/dbraw/zinc/53/29/05/643532905.db2.gz DEYFPCSWRLSGPJ-GFCCVEGCSA-N -1 1 395.228 2.368 20 0 GEADMM COc1ccc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1Br ZINC000119202692 643541525 /nfs/dbraw/zinc/54/15/25/643541525.db2.gz KPMOYRTYXYMMCM-UHFFFAOYSA-N -1 1 391.225 2.375 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2OC(F)(F)F)c1 ZINC000539707285 650848289 /nfs/dbraw/zinc/84/82/89/650848289.db2.gz ZFZPPQZGDHEHHW-UHFFFAOYSA-N -1 1 376.312 2.191 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1sccc1Br)c1cccs1 ZINC000119614028 643561337 /nfs/dbraw/zinc/56/13/37/643561337.db2.gz ALZGMPDFBPTHDN-UHFFFAOYSA-N -1 1 395.325 2.280 20 0 GEADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[C@H](O)C1 ZINC000119843008 643574124 /nfs/dbraw/zinc/57/41/24/643574124.db2.gz SQTPGHDFJAQDIR-HNNXBMFYSA-N -1 1 380.853 2.348 20 0 GEADMM CCC[C@@H](NC(=O)c1ccc(F)c(I)c1)c1nn[n-]n1 ZINC000120076443 643590423 /nfs/dbraw/zinc/59/04/23/643590423.db2.gz SINGBWJFFONUPR-SNVBAGLBSA-N -1 1 389.172 2.215 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncc(C)s2)c(Br)o1 ZINC000121912260 643645749 /nfs/dbraw/zinc/64/57/49/643645749.db2.gz WBEWGVRTUBSKLK-UHFFFAOYSA-N -1 1 395.256 2.072 20 0 GEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cc(F)cc(Br)c1 ZINC000122726680 643660730 /nfs/dbraw/zinc/66/07/30/643660730.db2.gz DTDFSPKFSLXPKR-UHFFFAOYSA-N -1 1 395.188 2.027 20 0 GEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1ccc(F)cc1Cl ZINC000123445421 643671165 /nfs/dbraw/zinc/67/11/65/643671165.db2.gz RTCZYHIOXIQGFV-LBPRGKRZSA-N -1 1 375.830 2.286 20 0 GEADMM O=C(CNC(=O)c1ccc(Br)c([O-])c1)NCCc1ccccc1 ZINC000125883150 643714904 /nfs/dbraw/zinc/71/49/04/643714904.db2.gz FHWAWSOLHACNEZ-UHFFFAOYSA-N -1 1 377.238 2.243 20 0 GEADMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1c(Cl)cccc1Cl ZINC000127167939 643761133 /nfs/dbraw/zinc/76/11/33/643761133.db2.gz JXBQURPAFHADRK-UHFFFAOYSA-N -1 1 375.237 2.401 20 0 GEADMM C[C@H](O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000127348730 643772058 /nfs/dbraw/zinc/77/20/58/643772058.db2.gz HXVFCAJJSZYEKI-JTQLQIEISA-N -1 1 386.832 2.391 20 0 GEADMM Cn1cc([N-]S(=O)(=O)c2cccc(F)c2F)cc(Br)c1=O ZINC000128652928 643809004 /nfs/dbraw/zinc/80/90/04/643809004.db2.gz BOCVALXUXJOIQH-UHFFFAOYSA-N -1 1 379.182 2.227 20 0 GEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](O)c2ccccc2Cl)c(=O)[n-]1 ZINC000130142312 643830231 /nfs/dbraw/zinc/83/02/31/643830231.db2.gz IVPBGNURSXVCMB-CQSZACIVSA-N -1 1 381.885 2.236 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCCC1 ZINC000130889811 643854363 /nfs/dbraw/zinc/85/43/63/643854363.db2.gz YKYDGWBDHSCIBI-UHFFFAOYSA-N -1 1 380.235 2.352 20 0 GEADMM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccsc3)ns2)co1 ZINC000132946070 643889674 /nfs/dbraw/zinc/88/96/74/643889674.db2.gz GOMZQRRIUIIKBT-UHFFFAOYSA-N -1 1 384.464 2.362 20 0 GEADMM Cc1cc(Br)cc(C(=O)OCCc2c(C)nc3[n-]cnn3c2=O)c1 ZINC000133002082 643891020 /nfs/dbraw/zinc/89/10/20/643891020.db2.gz CHBJWENJMSYTGC-UHFFFAOYSA-N -1 1 391.225 2.196 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1 ZINC000542008841 650885615 /nfs/dbraw/zinc/88/56/15/650885615.db2.gz UIHQGHREXJQFDQ-DEOSSOPVSA-N -1 1 385.438 2.292 20 0 GEADMM CC[C@@H](CNC(=O)c1coc(S(=O)(=O)[N-]C)c1)Oc1ccccc1Cl ZINC000155111956 644064630 /nfs/dbraw/zinc/06/46/30/644064630.db2.gz JJDIPEFIPKIQRJ-LBPRGKRZSA-N -1 1 386.857 2.429 20 0 GEADMM O=C([N-]NC(=O)c1cccc(Br)c1)c1cnc(C(F)(F)F)nc1 ZINC000157659652 644136333 /nfs/dbraw/zinc/13/63/33/644136333.db2.gz OLVXOXPQNQQLPI-UHFFFAOYSA-N -1 1 389.131 2.333 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc3c2OCO3)cc1Cl ZINC000542939956 650895793 /nfs/dbraw/zinc/89/57/93/650895793.db2.gz VSOLQEHZHBAUKH-UHFFFAOYSA-N -1 1 385.781 2.333 20 0 GEADMM Nc1nc([O-])c(CC(=O)N(Cc2csc(Br)c2)C2CC2)s1 ZINC000162060886 644230448 /nfs/dbraw/zinc/23/04/48/644230448.db2.gz BNOOWAVHFZKOGS-VIFPVBQESA-N -1 1 388.312 2.348 20 0 GEADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000543180051 650903146 /nfs/dbraw/zinc/90/31/46/650903146.db2.gz GDAWSIUDKVLCTE-LLVKDONJSA-N -1 1 378.491 2.254 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1Cl ZINC000170939796 644297589 /nfs/dbraw/zinc/29/75/89/644297589.db2.gz BRKUKJOXSSGRLO-UHFFFAOYSA-N -1 1 392.786 2.466 20 0 GEADMM CCCCOC(=O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000172209739 644338003 /nfs/dbraw/zinc/33/80/03/644338003.db2.gz NPRHEGSVWYVRLW-UHFFFAOYSA-N -1 1 385.667 2.119 20 0 GEADMM O=C([N-]Cc1ccccc1S(=O)(=O)N1CCCCC1)C(F)(F)C(F)F ZINC000175856841 644395182 /nfs/dbraw/zinc/39/51/82/644395182.db2.gz XEEWVFOZZNWPAY-UHFFFAOYSA-N -1 1 382.379 2.378 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Br)ccc2C)n1 ZINC000176720257 644404035 /nfs/dbraw/zinc/40/40/35/644404035.db2.gz 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C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546854108 651011310 /nfs/dbraw/zinc/01/13/10/651011310.db2.gz NFZUPWORKCCFGZ-SECBINFHSA-N -1 1 376.214 2.013 20 0 GEADMM Cn1cc(CCCNC(=O)c2ccc(I)c([O-])c2)cn1 ZINC000546873897 651012394 /nfs/dbraw/zinc/01/23/94/651012394.db2.gz FDBUODBDJJIQOK-UHFFFAOYSA-N -1 1 385.205 2.093 20 0 GEADMM C[C@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)[C@H]1CO ZINC000546921913 651014758 /nfs/dbraw/zinc/01/47/58/651014758.db2.gz XVNQWDROPDMCOB-CABZTGNLSA-N -1 1 375.206 2.230 20 0 GEADMM COCCCS(=O)(=O)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000264786214 645716564 /nfs/dbraw/zinc/71/65/64/645716564.db2.gz WAPMVDXGZYZFLP-UHFFFAOYSA-N -1 1 385.463 2.233 20 0 GEADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000266055005 645821044 /nfs/dbraw/zinc/82/10/44/645821044.db2.gz SSRGVGPCRQGINZ-UHFFFAOYSA-N -1 1 387.454 2.358 20 0 GEADMM CCC[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nn[n-]n1 ZINC000267702115 645918539 /nfs/dbraw/zinc/91/85/39/645918539.db2.gz 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646314687 /nfs/dbraw/zinc/31/46/87/646314687.db2.gz JCHUFAABZKBFSA-UHFFFAOYSA-N -1 1 384.479 2.134 20 0 GEADMM COCCc1ccccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000276241061 646370765 /nfs/dbraw/zinc/37/07/65/646370765.db2.gz CBSXGUIUFUYDTJ-UHFFFAOYSA-N -1 1 383.491 2.388 20 0 GEADMM CCOc1cc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc(Cl)c1[O-] ZINC000277864784 646479750 /nfs/dbraw/zinc/47/97/50/646479750.db2.gz YGTBUGJHVQXDFW-LBPRGKRZSA-N -1 1 375.874 2.484 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)co1 ZINC000278775691 646548201 /nfs/dbraw/zinc/54/82/01/646548201.db2.gz PEBJSRHLDZQTQF-ZCFIWIBFSA-N -1 1 383.373 2.154 20 0 GEADMM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)c(C)c1Cl ZINC000278801724 646551305 /nfs/dbraw/zinc/55/13/05/646551305.db2.gz MYHGAZWEGDIEKZ-SNVBAGLBSA-N -1 1 395.808 2.088 20 0 GEADMM O=S(=O)([N-]C[C@H](CO)[C@H]1CCOC1)c1c(Cl)cccc1C(F)(F)F ZINC000281094291 646745567 /nfs/dbraw/zinc/74/55/67/646745567.db2.gz WGPNKQQSGUXDTR-VHSXEESVSA-N -1 1 387.807 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FWSVRYZRDLXLQI-CYBMUJFWSA-N -1 1 384.267 2.426 20 0 GEADMM CC[C@H](O)CCC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914181023 654833070 /nfs/dbraw/zinc/83/30/70/654833070.db2.gz CUQCNEZMOJPHKS-BSNNYGBQSA-N -1 1 388.433 2.419 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCOC2CCC2)c1F ZINC000914201612 654835013 /nfs/dbraw/zinc/83/50/13/654835013.db2.gz KSOHBAQTIKYWQK-UHFFFAOYSA-N -1 1 382.251 2.444 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C2CCC2)c1)c1ccc(Cl)cc1 ZINC000914210990 654835654 /nfs/dbraw/zinc/83/56/54/654835654.db2.gz YPJYUJXMKBPZIX-OAHLLOKOSA-N -1 1 383.857 2.454 20 0 GEADMM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1occc1Br ZINC000914239118 654838029 /nfs/dbraw/zinc/83/80/29/654838029.db2.gz SHTBBPZXFBEVGB-SECBINFHSA-N -1 1 375.248 2.009 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C)CCCOC2)c1F ZINC000914324634 654845238 /nfs/dbraw/zinc/84/52/38/654845238.db2.gz MESXEHSPIOHLPO-CYBMUJFWSA-N -1 1 382.251 2.444 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C2COC(C)(C)OC2)c1F ZINC000914367806 654848775 /nfs/dbraw/zinc/84/87/75/654848775.db2.gz YXQIPRQJLVSAIN-UHFFFAOYSA-N -1 1 398.250 2.027 20 0 GEADMM O=C(c1cc(Br)cnc1C1CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000935036706 654872036 /nfs/dbraw/zinc/87/20/36/654872036.db2.gz HFEQLKXAAPQOBH-SNVBAGLBSA-N -1 1 377.246 2.254 20 0 GEADMM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2Br)C(=O)O1 ZINC000915657714 654876070 /nfs/dbraw/zinc/87/60/70/654876070.db2.gz WRMIRXJAGFRAOI-XVKPBYJWSA-N -1 1 382.663 2.226 20 0 GEADMM O=C(c1cc(F)cc(Br)c1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000935457675 654894632 /nfs/dbraw/zinc/89/46/32/654894632.db2.gz WUYZQFNHYIZFHG-VIFPVBQESA-N -1 1 390.213 2.171 20 0 GEADMM Cc1nnc([C@H](C)S(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)o1 ZINC000152033303 531527165 /nfs/dbraw/zinc/52/71/65/531527165.db2.gz VGEAEZGIHOSPLT-LURJTMIESA-N -1 1 386.231 2.255 20 0 GEADMM Cc1nnc([C@H](C)S(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)o1 ZINC000152033303 531527175 /nfs/dbraw/zinc/52/71/75/531527175.db2.gz VGEAEZGIHOSPLT-LURJTMIESA-N -1 1 386.231 2.255 20 0 GEADMM O=S(=O)([N-]CCCn1cc(Br)cn1)c1cc(F)ccc1F ZINC000014250177 531563867 /nfs/dbraw/zinc/56/38/67/531563867.db2.gz HSKCTCLQCBBYMV-UHFFFAOYSA-N -1 1 380.214 2.292 20 0 GEADMM CSc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000024373849 531601740 /nfs/dbraw/zinc/60/17/40/531601740.db2.gz QSAPAYKWWIYAIK-UHFFFAOYSA-N -1 1 386.520 2.460 20 0 GEADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1cccs1 ZINC000024486249 531605260 /nfs/dbraw/zinc/60/52/60/531605260.db2.gz AHWBYEZIZRPOQN-VIFPVBQESA-N -1 1 389.476 2.179 20 0 GEADMM CCC[C@H](NC(=O)Cc1ccccc1I)c1nn[n-]n1 ZINC000153925986 531612848 /nfs/dbraw/zinc/61/28/48/531612848.db2.gz WWHKKQHOWLZKEJ-NSHDSACASA-N -1 1 385.209 2.004 20 0 GEADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000028256518 531630887 /nfs/dbraw/zinc/63/08/87/531630887.db2.gz CIRFWSWWOYXBQF-UHFFFAOYSA-N -1 1 385.239 2.114 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccc(Cl)c(F)c1 ZINC000155086283 531655964 /nfs/dbraw/zinc/65/59/64/531655964.db2.gz WXTMGWNTIPMKLH-AWEZNQCLSA-N -1 1 389.836 2.449 20 0 GEADMM CCCCn1c2nc(-c3ccc([O-])c(Br)c3)n(C)c2c(=O)[nH]c1=O ZINC000042979700 531676225 /nfs/dbraw/zinc/67/62/25/531676225.db2.gz FEGRPAMJWSXQRM-UHFFFAOYSA-N -1 1 393.241 2.359 20 0 GEADMM O=C(c1[nH]c2ccccc2c1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155563999 531690621 /nfs/dbraw/zinc/69/06/21/531690621.db2.gz YZOJTIRKWTWKIW-VIFPVBQESA-N -1 1 375.230 2.463 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OCC(N)=O ZINC000055607327 531795321 /nfs/dbraw/zinc/79/53/21/531795321.db2.gz LZCYNNHDWOOLLW-UHFFFAOYSA-N -1 1 388.804 2.153 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000064476226 531866311 /nfs/dbraw/zinc/86/63/11/531866311.db2.gz QMWAMQUCXSKHMG-UHFFFAOYSA-N -1 1 384.479 2.183 20 0 GEADMM CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000067404871 531884500 /nfs/dbraw/zinc/88/45/00/531884500.db2.gz VKSVWBQKFPXWSZ-CQSZACIVSA-N -1 1 384.860 2.457 20 0 GEADMM Cn1cc(CCCNC(=O)c2cc(I)ccc2[O-])cn1 ZINC000171276962 531901836 /nfs/dbraw/zinc/90/18/36/531901836.db2.gz HDYHUPQFYBPNEY-UHFFFAOYSA-N -1 1 385.205 2.093 20 0 GEADMM Cn1cnc(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC000092264888 531926963 /nfs/dbraw/zinc/92/69/63/531926963.db2.gz SVCQRUOZXMSXSA-UHFFFAOYSA-N -1 1 399.192 2.075 20 0 GEADMM C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000094138925 531932138 /nfs/dbraw/zinc/93/21/38/531932138.db2.gz AEYHUJGHWXJYPG-SECBINFHSA-N -1 1 376.272 2.192 20 0 GEADMM CN(c1ccccc1F)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102320216 531938805 /nfs/dbraw/zinc/93/88/05/531938805.db2.gz WVUDYPVCFFEDGH-UHFFFAOYSA-N -1 1 376.406 2.161 20 0 GEADMM O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000113945521 531952585 /nfs/dbraw/zinc/95/25/85/531952585.db2.gz YUCVPUUBHSUJMY-UHFFFAOYSA-N -1 1 385.656 2.074 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1 ZINC000121109195 532012460 /nfs/dbraw/zinc/01/24/60/532012460.db2.gz WNKZZIANSGWKRK-UHFFFAOYSA-N -1 1 377.447 2.281 20 0 GEADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[nH]n1 ZINC000121205376 532018857 /nfs/dbraw/zinc/01/88/57/532018857.db2.gz CDLHAKBBVRCXJN-UHFFFAOYSA-N -1 1 389.474 2.342 20 0 GEADMM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cs1 ZINC000173747531 532031002 /nfs/dbraw/zinc/03/10/02/532031002.db2.gz JEKMBSKTXRZQBM-UHFFFAOYSA-N -1 1 376.364 2.446 20 0 GEADMM O=S(=O)([N-]c1cc(F)c(F)cc1I)c1cn[nH]c1 ZINC000174766276 532078563 /nfs/dbraw/zinc/07/85/63/532078563.db2.gz CTIUZEQNRPZUKM-UHFFFAOYSA-N -1 1 385.133 2.093 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000175089154 532088616 /nfs/dbraw/zinc/08/86/16/532088616.db2.gz BNGQYQUKYOBGEC-GFCCVEGCSA-N -1 1 378.885 2.462 20 0 GEADMM C[C@H](CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[S@@](C)=O ZINC000123963116 532111432 /nfs/dbraw/zinc/11/14/32/532111432.db2.gz YVBSCENKHDZTGU-XJZHNMMOSA-N -1 1 390.271 2.163 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1nc(-c2cccc(F)c2)no1 ZINC000124392415 532121205 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COC[C@@H](C)S(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000132764489 532221048 /nfs/dbraw/zinc/22/10/48/532221048.db2.gz LRONZLYIMFHJPW-OQPBUACISA-N -1 1 377.825 2.214 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)o1 ZINC000135339659 532271572 /nfs/dbraw/zinc/27/15/72/532271572.db2.gz OQBNLYPORFVJDO-LBPRGKRZSA-N -1 1 384.479 2.071 20 0 GEADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000134349835 532255239 /nfs/dbraw/zinc/25/52/39/532255239.db2.gz HDJCHBAJWROHPS-ABAIWWIYSA-N -1 1 394.269 2.474 20 0 GEADMM O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC000180264431 532264717 /nfs/dbraw/zinc/26/47/17/532264717.db2.gz WUINBFYBNSGJFC-UHFFFAOYSA-N -1 1 377.319 2.314 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cccc(Br)c2)c1 ZINC000181033438 532289284 /nfs/dbraw/zinc/28/92/84/532289284.db2.gz OEOUSYXMWLUGJB-UHFFFAOYSA-N -1 1 399.266 2.373 20 0 GEADMM O=C(NCCNC(=O)c1ccccc1F)c1ccc(Br)c([O-])c1 ZINC000137864392 532290864 /nfs/dbraw/zinc/29/08/64/532290864.db2.gz YOANTDPLMUYHGB-UHFFFAOYSA-N -1 1 381.201 2.454 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)o1 ZINC000182122250 532309482 /nfs/dbraw/zinc/30/94/82/532309482.db2.gz PGTABHJHRXTKOS-LBPRGKRZSA-N -1 1 384.841 2.485 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000182123713 532309737 /nfs/dbraw/zinc/30/97/37/532309737.db2.gz RWIPFXXBUIEAGL-GFCCVEGCSA-N -1 1 378.885 2.462 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CN1C1CC1 ZINC000185105714 532336794 /nfs/dbraw/zinc/33/67/94/532336794.db2.gz OVPINBPZEKFZQN-IUCAKERBSA-N -1 1 376.837 2.081 20 0 GEADMM CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000189999090 532354429 /nfs/dbraw/zinc/35/44/29/532354429.db2.gz OFPDVFNXDZAHRF-ZYHUDNBSSA-N -1 1 382.214 2.448 20 0 GEADMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190886666 532358529 /nfs/dbraw/zinc/35/85/29/532358529.db2.gz BGCYRVVCWTXYHB-UHFFFAOYSA-N -1 1 387.658 2.174 20 0 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ZINC000464843165 532407184 /nfs/dbraw/zinc/40/71/84/532407184.db2.gz QTCZAUPWGNUZEQ-UHFFFAOYSA-N -1 1 387.845 2.426 20 0 GEADMM Cc1cnc(C(=O)NCCCNC(=O)c2cccc(Br)c2)c([O-])c1 ZINC000427104803 532411588 /nfs/dbraw/zinc/41/15/88/532411588.db2.gz RFWUJJHXJKLASI-UHFFFAOYSA-N -1 1 392.253 2.408 20 0 GEADMM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CCC1CCOCC1 ZINC000517272563 532412049 /nfs/dbraw/zinc/41/20/49/532412049.db2.gz KVYZFZIHJORMEW-UHFFFAOYSA-N -1 1 375.418 2.481 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)C2CC2)c(OC)c1 ZINC000560082038 532414445 /nfs/dbraw/zinc/41/44/45/532414445.db2.gz PMEJYIVTPBGHPX-GFCCVEGCSA-N -1 1 390.527 2.266 20 0 GEADMM O=C(CCOc1cccc(Br)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000517432774 532416978 /nfs/dbraw/zinc/41/69/78/532416978.db2.gz XDICBCHVSHBFGY-UHFFFAOYSA-N -1 1 380.246 2.317 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(CS(N)(=O)=O)c3)cc2s1 ZINC000427197184 532414984 /nfs/dbraw/zinc/41/49/84/532414984.db2.gz JVBLVRGDMYHHDM-UHFFFAOYSA-N -1 1 397.503 2.194 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)C2CC2)c(F)c1 ZINC000649632300 532419425 /nfs/dbraw/zinc/41/94/25/532419425.db2.gz SQRJMDKSRHJRDR-LLVKDONJSA-N -1 1 378.491 2.396 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccoc2C)c(F)c1 ZINC000649678003 532421567 /nfs/dbraw/zinc/42/15/67/532421567.db2.gz XBRUJIOWUWUZPG-UHFFFAOYSA-N -1 1 390.458 2.357 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)cc1F ZINC000591818394 532424986 /nfs/dbraw/zinc/42/49/86/532424986.db2.gz NIKOMCSKQONOBH-MRVPVSSYSA-N -1 1 376.322 2.266 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)C2CC2)c(F)c1 ZINC000649798442 532425985 /nfs/dbraw/zinc/42/59/85/532425985.db2.gz KLVCIZWJOXTTCT-UHFFFAOYSA-N -1 1 378.491 2.444 20 0 GEADMM CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1Br ZINC000517865405 532428584 /nfs/dbraw/zinc/42/85/84/532428584.db2.gz BDNHKRUDZZMBEN-UHFFFAOYSA-N -1 1 388.243 2.253 20 0 GEADMM CC(C)(CCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F)S(C)(=O)=O ZINC000625425914 532427458 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Cc1cc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(C)cc1Br ZINC000282917584 532505228 /nfs/dbraw/zinc/50/52/28/532505228.db2.gz NJZVWNMMAQYZPN-LLVKDONJSA-N -1 1 379.258 2.497 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c1F ZINC000594460913 532508115 /nfs/dbraw/zinc/50/81/15/532508115.db2.gz VHQPVZJNFDYJMT-UHFFFAOYSA-N -1 1 389.792 2.005 20 0 GEADMM O=S(=O)([N-]c1ccncc1I)c1ccccc1F ZINC000469741498 532509384 /nfs/dbraw/zinc/50/93/84/532509384.db2.gz LOFUUSMDIHQITG-UHFFFAOYSA-N -1 1 378.166 2.048 20 0 GEADMM COCC1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)CC1 ZINC000594476193 532509537 /nfs/dbraw/zinc/50/95/37/532509537.db2.gz FXTIKBCXTDCXBF-UHFFFAOYSA-N -1 1 382.265 2.485 20 0 GEADMM Cc1sc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1Br ZINC000630226634 532509524 /nfs/dbraw/zinc/50/95/24/532509524.db2.gz AXWGMXSPGRQFFS-UHFFFAOYSA-N -1 1 375.288 2.440 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000630224430 532510114 /nfs/dbraw/zinc/51/01/14/532510114.db2.gz PGBJHVCAUWKPFQ-OLZOCXBDSA-N -1 1 399.285 2.224 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000630225062 532510441 /nfs/dbraw/zinc/51/04/41/532510441.db2.gz SEZRQHFZRABMJQ-LLVKDONJSA-N -1 1 387.249 2.138 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)CCCC(OC)OC)o1 ZINC000283028578 532513886 /nfs/dbraw/zinc/51/38/86/532513886.db2.gz FULXOAFZESKQSF-UHFFFAOYSA-N -1 1 377.459 2.160 20 0 GEADMM CC[C@H](CC1CCCC1)C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000469290193 532499310 /nfs/dbraw/zinc/49/93/10/532499310.db2.gz UVRXUYVOSMJFRB-CYBMUJFWSA-N -1 1 389.543 2.158 20 0 GEADMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)cc1Br ZINC000296691608 532535391 /nfs/dbraw/zinc/53/53/91/532535391.db2.gz LYOYNKWBMGEDKV-FXAINCCUSA-N -1 1 375.219 2.058 20 0 GEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000594865040 532538557 /nfs/dbraw/zinc/53/85/57/532538557.db2.gz JKHOHMGXMSTRLE-NSHDSACASA-N -1 1 388.280 2.389 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](CN2CCOCC2)c2ccccc2)sc1C ZINC000526946453 532541605 /nfs/dbraw/zinc/54/16/05/532541605.db2.gz AGDCWJYJBRTMFS-INIZCTEOSA-N -1 1 381.523 2.112 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000471110797 532542264 /nfs/dbraw/zinc/54/22/64/532542264.db2.gz VYAWLDVOKVCEJS-JOCHJYFZSA-N -1 1 387.504 2.018 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)ccc1Cl ZINC000432645115 532543996 /nfs/dbraw/zinc/54/39/96/532543996.db2.gz OHHMAFRHKHTNQN-UHFFFAOYSA-N -1 1 379.829 2.340 20 0 GEADMM CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)CO1 ZINC000652776810 532519601 /nfs/dbraw/zinc/51/96/01/532519601.db2.gz XPEQGCSJUJPAHP-GHMZBOCLSA-N -1 1 395.308 2.298 20 0 GEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@H]1C ZINC000470085361 532519740 /nfs/dbraw/zinc/51/97/40/532519740.db2.gz CQQZZBDRAVIGGP-WCBMZHEXSA-N -1 1 389.189 2.020 20 0 GEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@@H]1C ZINC000470085359 532520275 /nfs/dbraw/zinc/52/02/75/532520275.db2.gz CQQZZBDRAVIGGP-PSASIEDQSA-N -1 1 389.189 2.020 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(C)c1 ZINC000522363192 532522997 /nfs/dbraw/zinc/52/29/97/532522997.db2.gz XQXQHVANUHFWOY-DEOSSOPVSA-N -1 1 381.475 2.461 20 0 GEADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000594763365 532523765 /nfs/dbraw/zinc/52/37/65/532523765.db2.gz PYGBEQNYAXGNJY-HZNYWTHISA-N -1 1 395.344 2.202 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)c1 ZINC000524018037 532527903 /nfs/dbraw/zinc/52/79/03/532527903.db2.gz XLKZGIREJRESLP-LBPRGKRZSA-N -1 1 384.479 2.103 20 0 GEADMM CCCCN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000564559879 532528122 /nfs/dbraw/zinc/52/81/22/532528122.db2.gz ZZBFYMWEGBOSQX-HNNXBMFYSA-N -1 1 390.527 2.028 20 0 GEADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)[nH]n1 ZINC000470485222 532530556 /nfs/dbraw/zinc/53/05/56/532530556.db2.gz CILVDPUHDTVRPS-NSHDSACASA-N -1 1 386.499 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CC(C)(C)NC(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000632184765 532587256 /nfs/dbraw/zinc/58/72/56/532587256.db2.gz XANVEHPZXYRRKP-UHFFFAOYSA-N -1 1 379.429 2.468 20 0 GEADMM COCc1ncc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)s1 ZINC000376102349 532595725 /nfs/dbraw/zinc/59/57/25/532595725.db2.gz KTMJZWRCKHQJBC-GFCCVEGCSA-N -1 1 382.808 2.115 20 0 GEADMM Cc1sc2c(cccc2C)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000566077305 532591972 /nfs/dbraw/zinc/59/19/72/532591972.db2.gz RVZRIMCWBXBGAQ-UHFFFAOYSA-N -1 1 382.507 2.299 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCC(F)(F)F)c1ccc(OC)c(F)c1 ZINC000284452437 532593913 /nfs/dbraw/zinc/59/39/13/532593913.db2.gz XEWNIFXHBBXXMA-GFCCVEGCSA-N -1 1 387.351 2.310 20 0 GEADMM CCN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000433474864 532570629 /nfs/dbraw/zinc/57/06/29/532570629.db2.gz MOAKUTMGBFVMJB-CYBMUJFWSA-N -1 1 379.258 2.397 20 0 GEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2Cl)C1)c1c[nH]nc1C(F)(F)F ZINC000632096203 532577373 /nfs/dbraw/zinc/57/73/73/532577373.db2.gz SKQIZDVJYGVQHP-MRVPVSSYSA-N -1 1 395.794 2.034 20 0 GEADMM CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000376543512 532616881 /nfs/dbraw/zinc/61/68/81/532616881.db2.gz XTGIHABXOXLUOC-HNNXBMFYSA-N -1 1 380.853 2.371 20 0 GEADMM COCc1nnc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC000474448338 532618031 /nfs/dbraw/zinc/61/80/31/532618031.db2.gz GHOQQIXZILNGBM-MRVPVSSYSA-N -1 1 383.817 2.189 20 0 GEADMM COCc1nc(S(=O)(=O)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)n[n-]1 ZINC000474448338 532618037 /nfs/dbraw/zinc/61/80/37/532618037.db2.gz GHOQQIXZILNGBM-MRVPVSSYSA-N -1 1 383.817 2.189 20 0 GEADMM O=S(=O)([N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000655661908 532599856 /nfs/dbraw/zinc/59/98/56/532599856.db2.gz KQDZUGRBSUAZJK-WPRPVWTQSA-N -1 1 395.325 2.224 20 0 GEADMM COC(=O)CSCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473868668 532601374 /nfs/dbraw/zinc/60/13/74/532601374.db2.gz YSQVKURFDYEOCD-UHFFFAOYSA-N -1 1 376.258 2.317 20 0 GEADMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473857216 532601440 /nfs/dbraw/zinc/60/14/40/532601440.db2.gz RTQKBUJIXUWJJO-ZDUSSCGKSA-N -1 1 388.244 2.379 20 0 GEADMM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000473856435 532601534 /nfs/dbraw/zinc/60/15/34/532601534.db2.gz VLNUYMWYDCZNJO-MRTMQBJTSA-N -1 1 381.256 2.420 20 0 GEADMM CCS(=O)(=O)N1CCC(N(CC(=O)[O-])Cc2c(F)cccc2Cl)CC1 ZINC000262913769 532606717 /nfs/dbraw/zinc/60/67/17/532606717.db2.gz KDTHJQFTRKYTIZ-UHFFFAOYSA-N -1 1 392.880 2.180 20 0 GEADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCC(=O)N(C)C1 ZINC000566461700 532611877 /nfs/dbraw/zinc/61/18/77/532611877.db2.gz ONBYUDSNMJBFDA-SNVBAGLBSA-N -1 1 392.253 2.396 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1)C1CCCCC1 ZINC000656616459 532623266 /nfs/dbraw/zinc/62/32/66/532623266.db2.gz WGNCXISEMYOVLR-MRXNPFEDSA-N -1 1 375.512 2.427 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)c[nH]c1=O)C1CCCC1 ZINC000656628392 532627280 /nfs/dbraw/zinc/62/72/80/532627280.db2.gz NSJMOEKOVZTLQX-GFCCVEGCSA-N -1 1 379.276 2.497 20 0 GEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cncc(I)c2)c1 ZINC000436502448 532636567 /nfs/dbraw/zinc/63/65/67/532636567.db2.gz HDADCZJNCYFCPT-UHFFFAOYSA-N -1 1 398.156 2.431 20 0 GEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ncccc2Br)[C@H]2CCCO[C@H]21 ZINC000656917832 532646413 /nfs/dbraw/zinc/64/64/13/532646413.db2.gz LGZQNLDLVOVJQH-YUSALJHKSA-N -1 1 375.288 2.326 20 0 GEADMM Cc1cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1Br ZINC000567066848 532638036 /nfs/dbraw/zinc/63/80/36/532638036.db2.gz DUPJJXUEGUTAKR-UHFFFAOYSA-N -1 1 381.255 2.214 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c(Cl)c1 ZINC000436639083 532639666 /nfs/dbraw/zinc/63/96/66/532639666.db2.gz IRXNKNXERVVGMY-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1ccc([O-])cc1F ZINC000436698159 532641662 /nfs/dbraw/zinc/64/16/62/532641662.db2.gz OQTNEXXCIYEPGO-UHFFFAOYSA-N -1 1 386.832 2.201 20 0 GEADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1[O-] ZINC000436669883 532641825 /nfs/dbraw/zinc/64/18/25/532641825.db2.gz BNNWGDJWNNWLJD-UHFFFAOYSA-N -1 1 390.795 2.032 20 0 GEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])C[C@H](C)[C@H]1O ZINC000598191938 532643594 /nfs/dbraw/zinc/64/35/94/532643594.db2.gz ZTNIFOZMGBRMHM-WOFXILAISA-N -1 1 375.206 2.086 20 0 GEADMM O=C(NCCCNC(=O)c1ccc(Br)cc1[O-])c1cccc(O)c1 ZINC000436713019 532643855 /nfs/dbraw/zinc/64/38/55/532643855.db2.gz CVACFFQHLVNFPA-UHFFFAOYSA-N -1 1 393.237 2.410 20 0 GEADMM O=S(=O)([N-][C@@H](CCO)C1CCCCC1)c1ncccc1Br ZINC000656912153 532644109 /nfs/dbraw/zinc/64/41/09/532644109.db2.gz NWSWUXVYAOZHQS-ZDUSSCGKSA-N -1 1 377.304 2.454 20 0 GEADMM O=C(NCCN1CCC1)c1cc(Br)c([O-])c(Br)c1 ZINC000436897158 532644911 /nfs/dbraw/zinc/64/49/11/532644911.db2.gz WSJCIWCVLGOAGV-UHFFFAOYSA-N -1 1 378.064 2.353 20 0 GEADMM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ncccc1Br ZINC000656913842 532645517 /nfs/dbraw/zinc/64/55/17/532645517.db2.gz 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ZINC000532712724 532654792 /nfs/dbraw/zinc/65/47/92/532654792.db2.gz OWDILKVZYMXJDI-UHFFFAOYSA-N -1 1 399.285 2.273 20 0 GEADMM O=S(=O)([N-]C[C@@H](CO)C1CCCCC1)c1ncccc1Br ZINC000656997714 532655926 /nfs/dbraw/zinc/65/59/26/532655926.db2.gz VMWPBLNAOMICDV-LBPRGKRZSA-N -1 1 377.304 2.311 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c(F)cc1F ZINC000532846823 532658285 /nfs/dbraw/zinc/65/82/85/532658285.db2.gz VPDLLYCAWJXDJD-UHFFFAOYSA-N -1 1 377.756 2.183 20 0 GEADMM C[C@H]1CSC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000568702634 532685323 /nfs/dbraw/zinc/68/53/23/532685323.db2.gz PEYJICYZHPUSSO-KWQFWETISA-N -1 1 383.322 2.139 20 0 GEADMM COc1ccc(NC(=O)NCCSC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000298936498 532685638 /nfs/dbraw/zinc/68/56/38/532685638.db2.gz IUOMZONGHMRBGW-UHFFFAOYSA-N -1 1 387.405 2.441 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)co1 ZINC000377775257 532670136 /nfs/dbraw/zinc/67/01/36/532670136.db2.gz DYWNJLURDIBXBW-UHFFFAOYSA-N -1 1 381.797 2.748 20 0 GEADMM CC1(C)CCC(O)(C[N-]S(=O)(=O)c2ncccc2Br)CC1 ZINC000660021559 532671272 /nfs/dbraw/zinc/67/12/72/532671272.db2.gz CFRVFZSRNDZGTH-UHFFFAOYSA-N -1 1 377.304 2.454 20 0 GEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cnc2ccsc2c1 ZINC000378037057 532677811 /nfs/dbraw/zinc/67/78/11/532677811.db2.gz FSVDWVONZKRFRE-UHFFFAOYSA-N -1 1 376.398 2.212 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(CN3CCCC3=O)cc2)cs1 ZINC000298867945 532681366 /nfs/dbraw/zinc/68/13/66/532681366.db2.gz RXTXPLSYJOZWGU-UHFFFAOYSA-N -1 1 380.447 2.370 20 0 GEADMM O=C([O-])[C@]12COC[C@H]1CN(Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000665344585 532695145 /nfs/dbraw/zinc/69/51/45/532695145.db2.gz OOVCXEDHNHOEBJ-SJKOYZFVSA-N -1 1 392.253 2.372 20 0 GEADMM Cn1ccc(CCNC(=O)c2c([O-])cnc3c(Br)cccc32)n1 ZINC000569281564 532695673 /nfs/dbraw/zinc/69/56/73/532695673.db2.gz UKDKHEOFKJIALU-UHFFFAOYSA-N -1 1 375.226 2.409 20 0 GEADMM CC[C@]([N-]S(=O)(=O)CC1(C)COC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000569013718 532687665 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GEADMM COc1ccnc(CNC(=O)c2cc(I)ccc2[O-])c1 ZINC000611215267 532721191 /nfs/dbraw/zinc/72/11/91/532721191.db2.gz OGEZUYKEBNGSIP-UHFFFAOYSA-N -1 1 384.173 2.330 20 0 GEADMM CCN(CC)CCS(=O)(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000646042017 532721334 /nfs/dbraw/zinc/72/13/34/532721334.db2.gz FVINYBJEHSGRFU-MRXNPFEDSA-N -1 1 376.906 2.291 20 0 GEADMM O=C(c1cc2c(c(Br)c1)OCO2)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000646113689 532723078 /nfs/dbraw/zinc/72/30/78/532723078.db2.gz DDDVXKGWDAXTFS-UHFFFAOYSA-N -1 1 396.197 2.286 20 0 GEADMM CCOC(=O)[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCOCC1 ZINC000497401984 532723447 /nfs/dbraw/zinc/72/34/47/532723447.db2.gz ALFDMWHJMACLLY-AWEZNQCLSA-N -1 1 386.242 2.243 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cn1 ZINC000442235541 532729307 /nfs/dbraw/zinc/72/93/07/532729307.db2.gz KDAKAEDNRHLBBA-UHFFFAOYSA-N -1 1 382.797 2.218 20 0 GEADMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nc1 ZINC000539520351 532731376 /nfs/dbraw/zinc/73/13/76/532731376.db2.gz GYUACAKDFMPVMP-UHFFFAOYSA-N -1 1 395.853 2.153 20 0 GEADMM CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N2CCCCC2=O)c1 ZINC000299633035 532731707 /nfs/dbraw/zinc/73/17/07/532731707.db2.gz JOULFHMXTPKYNG-UHFFFAOYSA-N -1 1 387.889 2.026 20 0 GEADMM COc1ccc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1Cl ZINC000540804386 532745590 /nfs/dbraw/zinc/74/55/90/532745590.db2.gz CEWLLUDLPZWFTC-UHFFFAOYSA-N -1 1 384.841 2.273 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N2CCCCC2=O)c1 ZINC000299677683 532734365 /nfs/dbraw/zinc/73/43/65/532734365.db2.gz QPVAAFMKNYZAJR-UHFFFAOYSA-N -1 1 387.889 2.028 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000442758297 532734388 /nfs/dbraw/zinc/73/43/88/532734388.db2.gz ZQBGOWLKLHZGDU-ZDBHGNHJSA-N -1 1 396.292 2.478 20 0 GEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000442779767 532734424 /nfs/dbraw/zinc/73/44/24/532734424.db2.gz DYIGBKKIGPDQJE-NEPJUHHUSA-N -1 1 378.491 2.444 20 0 GEADMM CC1(C)CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000442769872 532734985 /nfs/dbraw/zinc/73/49/85/532734985.db2.gz OMRHOXSMLYBROX-GFCCVEGCSA-N -1 1 378.491 2.444 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOC(C)C)c1ccc(Br)cc1 ZINC000267153652 532735483 /nfs/dbraw/zinc/73/54/83/532735483.db2.gz HVUNKTKVMXLPKW-CYBMUJFWSA-N -1 1 394.287 2.008 20 0 GEADMM COc1cc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1[O-] ZINC000442976806 532737287 /nfs/dbraw/zinc/73/72/87/532737287.db2.gz KDFATJDHNSMJDE-QMMMGPOBSA-N -1 1 380.750 2.195 20 0 GEADMM O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc([O-])cc1F ZINC000442960897 532738237 /nfs/dbraw/zinc/73/82/37/532738237.db2.gz DAWSUTZAXUGAQT-UHFFFAOYSA-N -1 1 390.795 2.032 20 0 GEADMM Cc1cnn(C)c1S(=O)(=O)Nc1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000504523476 532748675 /nfs/dbraw/zinc/74/86/75/532748675.db2.gz CPNGQZQAJZJIDX-UHFFFAOYSA-N -1 1 388.243 2.298 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(Br)n1C ZINC000286491202 532751315 /nfs/dbraw/zinc/75/13/15/532751315.db2.gz LJSQKXVQEAYLJR-UHFFFAOYSA-N -1 1 376.251 2.151 20 0 GEADMM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(I)c([O-])c1 ZINC000311544447 532777190 /nfs/dbraw/zinc/77/71/90/532777190.db2.gz ZBXVMZBFLSCPLQ-MWLCHTKSSA-N -1 1 375.206 2.278 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000312710800 532778379 /nfs/dbraw/zinc/77/83/79/532778379.db2.gz SKDHGWWVRUVXHL-UHFFFAOYSA-N -1 1 384.266 2.433 20 0 GEADMM O=S(=O)([N-]C[C@H](CO)[C@H]1CCOC1)c1sc2ccccc2c1Cl ZINC000583363122 532765129 /nfs/dbraw/zinc/76/51/29/532765129.db2.gz AJILZFBPFSTYCR-WDEREUQCSA-N -1 1 375.899 2.478 20 0 GEADMM COCc1nnc(S(=O)(=O)Cc2csc(-c3cccc(OC)c3)n2)[n-]1 ZINC000268496147 532767191 /nfs/dbraw/zinc/76/71/91/532767191.db2.gz QFOMVHJIIGFTAL-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM COCc1nc(S(=O)(=O)Cc2csc(-c3cccc(OC)c3)n2)n[n-]1 ZINC000268496147 532767196 /nfs/dbraw/zinc/76/71/96/532767196.db2.gz QFOMVHJIIGFTAL-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000286792461 532769099 /nfs/dbraw/zinc/76/90/99/532769099.db2.gz GYWFCBFZKFTPFQ-VHSXEESVSA-N -1 1 382.349 2.444 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1(C)C ZINC000544726989 532782579 /nfs/dbraw/zinc/78/25/79/532782579.db2.gz SCSJWQJXGJMTHM-LLVKDONJSA-N -1 1 378.491 2.254 20 0 GEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1ccc(Br)o1 ZINC000544714898 532782595 /nfs/dbraw/zinc/78/25/95/532782595.db2.gz UJRLMRJPHSMIHB-SECBINFHSA-N -1 1 390.234 2.133 20 0 GEADMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000326238601 532790269 /nfs/dbraw/zinc/79/02/69/532790269.db2.gz WWXAXZZWUKWSRI-VIFPVBQESA-N -1 1 394.211 2.056 20 0 GEADMM CCn1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1C(=O)[O-] ZINC000326832937 532790968 /nfs/dbraw/zinc/79/09/68/532790968.db2.gz AVQHUJVOGSWNAS-UHFFFAOYSA-N -1 1 381.435 2.051 20 0 GEADMM CCn1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cc1C(=O)[O-] ZINC000327076871 532791538 /nfs/dbraw/zinc/79/15/38/532791538.db2.gz FCEVLLMULMOSNL-UHFFFAOYSA-N -1 1 385.829 2.020 20 0 GEADMM C[C@@H](CN(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12)c1nn[n-]n1 ZINC000548466337 532791761 /nfs/dbraw/zinc/79/17/61/532791761.db2.gz ZHBKZPFYVWKDND-QMMMGPOBSA-N -1 1 391.229 2.092 20 0 GEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000327636037 532792375 /nfs/dbraw/zinc/79/23/75/532792375.db2.gz RMGYQQWWWIFNCS-UHFFFAOYSA-N -1 1 386.813 2.442 20 0 GEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)CCC1Cc2ccccc2C1 ZINC000514972570 532781489 /nfs/dbraw/zinc/78/14/89/532781489.db2.gz NCXKAMWHLMPFCM-CQSZACIVSA-N -1 1 379.400 2.205 20 0 GEADMM O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)c1ncccc1[O-] ZINC000456488048 532781693 /nfs/dbraw/zinc/78/16/93/532781693.db2.gz NYMRZTKATAWPSL-SNVBAGLBSA-N -1 1 383.217 2.270 20 0 GEADMM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271528097 532807666 /nfs/dbraw/zinc/80/76/66/532807666.db2.gz RVJQEKKWOVIBRZ-VIFPVBQESA-N -1 1 375.422 2.049 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329556638 532808520 /nfs/dbraw/zinc/80/85/20/532808520.db2.gz HMDLUNDPOQSTHT-SNVBAGLBSA-N -1 1 390.237 2.150 20 0 GEADMM CC[C@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccc(Cl)s1 ZINC000287616367 532802788 /nfs/dbraw/zinc/80/27/88/532802788.db2.gz MNBHXETYLAEAAO-LXSAYXPZSA-N -1 1 377.857 2.263 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)c(Br)o1 ZINC000272096669 532813065 /nfs/dbraw/zinc/81/30/65/532813065.db2.gz WDVHIFOGROIJDZ-RKDXNWHRSA-N -1 1 396.259 2.065 20 0 GEADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000414034163 532817835 /nfs/dbraw/zinc/81/78/35/532817835.db2.gz MFRDSNJZQJKIAQ-NXEZZACHSA-N -1 1 375.206 2.230 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c(OC)c1 ZINC000330515098 532820528 /nfs/dbraw/zinc/82/05/28/532820528.db2.gz DEHKYEBULUGXSP-CYBMUJFWSA-N -1 1 390.527 2.268 20 0 GEADMM COC(=O)C1=NOC2(C1)CCN(C(=O)c1cc(Br)ccc1[O-])CC2 ZINC000273408260 532823262 /nfs/dbraw/zinc/82/32/62/532823262.db2.gz VUFIESXBBSURMM-UHFFFAOYSA-N -1 1 397.225 2.079 20 0 GEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3n[nH]c(C)c3Br)cc21 ZINC000414467250 532829657 /nfs/dbraw/zinc/82/96/57/532829657.db2.gz DEJFBDIPTFHFLX-UHFFFAOYSA-N -1 1 399.270 2.190 20 0 GEADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000273704695 532832199 /nfs/dbraw/zinc/83/21/99/532832199.db2.gz KHDYDDONFVLMHF-UHFFFAOYSA-N -1 1 394.280 2.423 20 0 GEADMM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273731222 532832662 /nfs/dbraw/zinc/83/26/62/532832662.db2.gz NMVLGAKATJWIQW-ISVAXAHUSA-N -1 1 393.292 2.453 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Br)OCCO2)C(F)(F)F ZINC000288636069 532833421 /nfs/dbraw/zinc/83/34/21/532833421.db2.gz ONRZABXOTSGOSM-LURJTMIESA-N -1 1 390.177 2.449 20 0 GEADMM CN(CCCC(=O)[O-])C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000414633857 532833544 /nfs/dbraw/zinc/83/35/44/532833544.db2.gz VYWNAOWNDPCVGU-UHFFFAOYSA-N -1 1 396.245 2.240 20 0 GEADMM CN(CCCC(=O)[O-])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000414633857 532833545 /nfs/dbraw/zinc/83/35/45/532833545.db2.gz VYWNAOWNDPCVGU-UHFFFAOYSA-N -1 1 396.245 2.240 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2csc(Br)c2)C1=O ZINC000414652621 532833906 /nfs/dbraw/zinc/83/39/06/532833906.db2.gz HHWFNTLMEOFLFL-CMPLNLGQSA-N -1 1 375.288 2.310 20 0 GEADMM COc1ccc(NC(=O)N[C@@H](C)c2nnc(C)s2)cc1[N-]S(C)(=O)=O ZINC000273902656 532836550 /nfs/dbraw/zinc/83/65/50/532836550.db2.gz SOGHHAMUOJLCLE-QMMMGPOBSA-N -1 1 385.471 2.109 20 0 GEADMM O=C(Cc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000057159500 205155081 /nfs/dbraw/zinc/15/50/81/205155081.db2.gz MIQZPWJTWMMTPV-UHFFFAOYSA-N -1 1 378.425 2.497 20 0 GEADMM CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000332240164 532850583 /nfs/dbraw/zinc/85/05/83/532850583.db2.gz UMKHYLFKDXCZKM-NSHDSACASA-N -1 1 376.272 2.194 20 0 GEADMM O=c1nc([C@H]2CCCCN2Cc2nnc(-c3ccc(Br)o3)o2)[nH][n-]1 ZINC000289270914 532851607 /nfs/dbraw/zinc/85/16/07/532851607.db2.gz FBRNQLSBSIPOPV-MRVPVSSYSA-N -1 1 395.217 2.231 20 0 GEADMM Cc1cc(Br)ccc1NC(=O)CN1CCCC[C@@H]1c1nc(=O)[n-][nH]1 ZINC000289412699 532853974 /nfs/dbraw/zinc/85/39/74/532853974.db2.gz TXUFIEBYDTVYDF-CYBMUJFWSA-N -1 1 394.273 2.335 20 0 GEADMM O=C(c1cccc(I)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332389145 532854192 /nfs/dbraw/zinc/85/41/92/532854192.db2.gz YWZVMBGYPZTYLC-JTQLQIEISA-N -1 1 399.188 2.400 20 0 GEADMM CN(C)c1ncnc(Cl)c1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289450037 532855412 /nfs/dbraw/zinc/85/54/12/532855412.db2.gz KZBLQPDLIHLPNX-SNVBAGLBSA-N -1 1 379.814 2.087 20 0 GEADMM CCc1ccc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000289652382 532862372 /nfs/dbraw/zinc/86/23/72/532862372.db2.gz TWJCOIYSNBCWMU-SNVBAGLBSA-N -1 1 384.445 2.390 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCOCC2)sc1C ZINC000333074977 532863878 /nfs/dbraw/zinc/86/38/78/532863878.db2.gz VSRNODQHGSTJFL-CYBMUJFWSA-N -1 1 387.552 2.173 20 0 GEADMM CNC(=O)[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000289758833 532864329 /nfs/dbraw/zinc/86/43/29/532864329.db2.gz FVYZXTYFWYKRCR-GFCCVEGCSA-N -1 1 392.253 2.444 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1c(C)cc(Br)cc1C ZINC000416144623 532864729 /nfs/dbraw/zinc/86/47/29/532864729.db2.gz NSZVXNVKICITKG-UHFFFAOYSA-N -1 1 382.214 2.206 20 0 GEADMM COc1ccc(Br)cc1C1(C(=O)N(C)C[C@H](C)c2nn[n-]n2)CC1 ZINC000416204457 532867140 /nfs/dbraw/zinc/86/71/40/532867140.db2.gz OMQWXQACHFNULP-JTQLQIEISA-N -1 1 394.273 2.265 20 0 GEADMM COC(=O)[C@@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000289897819 532867193 /nfs/dbraw/zinc/86/71/93/532867193.db2.gz TVLGQMBZXRPCOX-SECBINFHSA-N -1 1 379.210 2.338 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000333475237 532868767 /nfs/dbraw/zinc/86/87/67/532868767.db2.gz RLYWFTANBSXLHJ-DZGCQCFKSA-N -1 1 390.502 2.444 20 0 GEADMM COCc1nc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)cs1 ZINC000290106108 532872731 /nfs/dbraw/zinc/87/27/31/532872731.db2.gz JFJKOLRSKCUCCG-UHFFFAOYSA-N -1 1 398.329 2.295 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCO[C@H]2CCC[C@H]21 ZINC000290337019 532878632 /nfs/dbraw/zinc/87/86/32/532878632.db2.gz JKHUJXNXAADEKU-OLZOCXBDSA-N -1 1 393.292 2.052 20 0 GEADMM CCN(C(C)C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000349529521 532882177 /nfs/dbraw/zinc/88/21/77/532882177.db2.gz AHNIMQHHQPFMHS-UHFFFAOYSA-N -1 1 397.950 2.235 20 0 GEADMM CC[C@@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349558783 532883053 /nfs/dbraw/zinc/88/30/53/532883053.db2.gz SVESVDORVWXMDJ-HUUCEWRRSA-N -1 1 389.543 2.020 20 0 GEADMM CSCc1cccnc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290455538 532880901 /nfs/dbraw/zinc/88/09/01/532880901.db2.gz UXDSKLKBUZBVDC-NSHDSACASA-N -1 1 375.416 2.475 20 0 GEADMM CN([C@@H]1CCC(C)(C)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349484997 532881396 /nfs/dbraw/zinc/88/13/96/532881396.db2.gz SXLVSIUBRACVNL-CQSZACIVSA-N -1 1 389.543 2.054 20 0 GEADMM C[S@](=O)Cc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000350570406 532886444 /nfs/dbraw/zinc/88/64/44/532886444.db2.gz VPUCHNUKZWIAEV-DEOSSOPVSA-N -1 1 399.475 2.183 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000349609910 532883999 /nfs/dbraw/zinc/88/39/99/532883999.db2.gz BNCPAVCVQWEANL-CTYIDZIISA-N -1 1 389.543 2.020 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ncn(C)n1 ZINC000276269227 532892195 /nfs/dbraw/zinc/89/21/95/532892195.db2.gz UTQWECVQOZFALR-LURJTMIESA-N -1 1 397.657 2.410 20 0 GEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)s1 ZINC000291032761 532895160 /nfs/dbraw/zinc/89/51/60/532895160.db2.gz ZBDDUMIPMJVNQF-UHFFFAOYSA-N -1 1 385.345 2.086 20 0 GEADMM C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1n[nH]c(=S)s1 ZINC000365822144 532912138 /nfs/dbraw/zinc/91/21/38/532912138.db2.gz URTSHLIEGZLGGC-DGCLKSJQSA-N -1 1 395.579 2.341 20 0 GEADMM CSc1nc(=NC(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)s[n-]1 ZINC000366270988 532915847 /nfs/dbraw/zinc/91/58/47/532915847.db2.gz PCRSPLCZWRUVRH-JOYOIKCWSA-N -1 1 398.583 2.479 20 0 GEADMM CSc1nc(=NC(=O)N[C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)s[n-]1 ZINC000366270988 532915849 /nfs/dbraw/zinc/91/58/49/532915849.db2.gz PCRSPLCZWRUVRH-JOYOIKCWSA-N -1 1 398.583 2.479 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@H]1OCCc2sccc21 ZINC000293030178 532921350 /nfs/dbraw/zinc/92/13/50/532921350.db2.gz IWUZIQHVDALLDY-QPUJVOFHSA-N -1 1 395.428 2.481 20 0 GEADMM CCc1ccc([C@H](O)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000293212317 532923494 /nfs/dbraw/zinc/92/34/94/532923494.db2.gz UZYUJUHLDCDKCQ-GFCCVEGCSA-N -1 1 377.388 2.013 20 0 GEADMM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C2 ZINC000293259120 532924295 /nfs/dbraw/zinc/92/42/95/532924295.db2.gz XIWGDEWMLMXRNB-LLVKDONJSA-N -1 1 375.372 2.029 20 0 GEADMM Cc1ccc2c([O-])c(C(=O)N3CCn4c(Br)cnc4C3)cnc2n1 ZINC000368459160 532932530 /nfs/dbraw/zinc/93/25/30/532932530.db2.gz RHABPQDHLRHDJJ-UHFFFAOYSA-N -1 1 388.225 2.259 20 0 GEADMM Cc1ccc2c(=O)c(C(=O)N3CCn4c(Br)cnc4C3)c[n-]c2n1 ZINC000368459160 532932531 /nfs/dbraw/zinc/93/25/31/532932531.db2.gz RHABPQDHLRHDJJ-UHFFFAOYSA-N -1 1 388.225 2.259 20 0 GEADMM Nc1nccc([C@H]2CCCN(C(=O)c3ccc(Br)cc3[O-])C2)n1 ZINC000368547806 532933166 /nfs/dbraw/zinc/93/31/66/532933166.db2.gz DGPBKHADENYMFE-JTQLQIEISA-N -1 1 377.242 2.547 20 0 GEADMM CS(=O)(=O)CC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000294304328 532938011 /nfs/dbraw/zinc/93/80/11/532938011.db2.gz RKOVETZXZQXRGV-UHFFFAOYSA-N -1 1 376.272 2.052 20 0 GEADMM CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2cccc(Cl)c2[O-])cn1 ZINC000451027929 450596237 /nfs/dbraw/zinc/59/62/37/450596237.db2.gz XTQVDANEFXWXHL-UHFFFAOYSA-N -1 1 387.845 2.341 20 0 GEADMM Cc1cnn(CC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000737444572 598834438 /nfs/dbraw/zinc/83/44/38/598834438.db2.gz NJZRTYQAMBKRKG-UHFFFAOYSA-N -1 1 379.449 2.417 20 0 GEADMM CCC(=O)N[C@H](C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736306477 598846304 /nfs/dbraw/zinc/84/63/04/598846304.db2.gz YSCJNTMFMMDNOF-LLVKDONJSA-N -1 1 384.465 2.126 20 0 GEADMM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nn[n-]n3)c(SCC(N)=O)n2)o1 ZINC000737287105 598861606 /nfs/dbraw/zinc/86/16/06/598861606.db2.gz DHNVESYVJMHYAR-UHFFFAOYSA-N -1 1 384.343 2.426 20 0 GEADMM C[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736201411 598873683 /nfs/dbraw/zinc/87/36/83/598873683.db2.gz DTAXDRCFAAKFSZ-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM C[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736201411 598873684 /nfs/dbraw/zinc/87/36/84/598873684.db2.gz DTAXDRCFAAKFSZ-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736536392 598873984 /nfs/dbraw/zinc/87/39/84/598873984.db2.gz BSDKLJWIUPADGK-UHFFFAOYSA-N -1 1 383.783 2.483 20 0 GEADMM CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736536392 598873985 /nfs/dbraw/zinc/87/39/85/598873985.db2.gz BSDKLJWIUPADGK-UHFFFAOYSA-N -1 1 383.783 2.483 20 0 GEADMM COc1cc(C)sc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000737042048 598880601 /nfs/dbraw/zinc/88/06/01/598880601.db2.gz OSUJQLNUTDJKJQ-UHFFFAOYSA-N -1 1 391.409 2.251 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000737300923 598930343 /nfs/dbraw/zinc/93/03/43/598930343.db2.gz FZHKDBCPGBKFSH-UHFFFAOYSA-N -1 1 398.448 2.324 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000737301906 598930730 /nfs/dbraw/zinc/93/07/30/598930730.db2.gz VMWCFJMDISIISU-UHFFFAOYSA-N -1 1 398.448 2.324 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000737301440 598931591 /nfs/dbraw/zinc/93/15/91/598931591.db2.gz NOIDDKMRABTWKY-UHFFFAOYSA-N -1 1 398.448 2.251 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000737225434 598948871 /nfs/dbraw/zinc/94/88/71/598948871.db2.gz NHZYMKUKDMUFGH-UHFFFAOYSA-N -1 1 399.411 2.301 20 0 GEADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736422924 598962870 /nfs/dbraw/zinc/96/28/70/598962870.db2.gz KZFROXJVGRWZGC-KBPBESRZSA-N -1 1 394.483 2.331 20 0 GEADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736422924 598962871 /nfs/dbraw/zinc/96/28/71/598962871.db2.gz KZFROXJVGRWZGC-KBPBESRZSA-N -1 1 394.483 2.331 20 0 GEADMM CCN(CCNc1c2ccccc2nnc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736536096 598965031 /nfs/dbraw/zinc/96/50/31/598965031.db2.gz BZHNWGGJUWGCTL-UHFFFAOYSA-N -1 1 384.444 2.479 20 0 GEADMM CCN(CCNc1c2ccccc2nnc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736536096 598965033 /nfs/dbraw/zinc/96/50/33/598965033.db2.gz BZHNWGGJUWGCTL-UHFFFAOYSA-N -1 1 384.444 2.479 20 0 GEADMM Cc1csc([C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)n1 ZINC000737455170 598963417 /nfs/dbraw/zinc/96/34/17/598963417.db2.gz MXVILSBXOOCJCL-ZDUSSCGKSA-N -1 1 380.437 2.153 20 0 GEADMM Cc1csc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)n1 ZINC000737455170 598963419 /nfs/dbraw/zinc/96/34/19/598963419.db2.gz MXVILSBXOOCJCL-ZDUSSCGKSA-N -1 1 380.437 2.153 20 0 GEADMM Cc1csc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000737453760 598967580 /nfs/dbraw/zinc/96/75/80/598967580.db2.gz YRPYJAJRASKPHD-GFCCVEGCSA-N -1 1 393.480 2.290 20 0 GEADMM Cc1csc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000737453760 598967582 /nfs/dbraw/zinc/96/75/82/598967582.db2.gz YRPYJAJRASKPHD-GFCCVEGCSA-N -1 1 393.480 2.290 20 0 GEADMM CNC(=O)CCOc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736872905 598967590 /nfs/dbraw/zinc/96/75/90/598967590.db2.gz DEYBAGORBOZINN-UHFFFAOYSA-N -1 1 390.407 2.068 20 0 GEADMM CNC(=O)CCOc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736872905 598967592 /nfs/dbraw/zinc/96/75/92/598967592.db2.gz DEYBAGORBOZINN-UHFFFAOYSA-N -1 1 390.407 2.068 20 0 GEADMM COc1cc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2cc1OC ZINC000737055232 598983543 /nfs/dbraw/zinc/98/35/43/598983543.db2.gz LGHUOBGBBIYHEO-UHFFFAOYSA-N -1 1 383.393 2.141 20 0 GEADMM COc1cc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2cc1OC ZINC000737055232 598983544 /nfs/dbraw/zinc/98/35/44/598983544.db2.gz LGHUOBGBBIYHEO-UHFFFAOYSA-N -1 1 383.393 2.141 20 0 GEADMM COc1ccc(Br)cc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737066166 598985059 /nfs/dbraw/zinc/98/50/59/598985059.db2.gz QVFUODSOICBYDR-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM COc1ccc(Br)cc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737066166 598985060 /nfs/dbraw/zinc/98/50/60/598985060.db2.gz QVFUODSOICBYDR-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM O=C(N=c1sccn1Cc1ccccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000737996982 598985121 /nfs/dbraw/zinc/98/51/21/598985121.db2.gz UHLLRBOYVQYWBM-UHFFFAOYSA-N -1 1 381.396 2.053 20 0 GEADMM O=C(N=c1sccn1Cc1ccccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000737996982 598985123 /nfs/dbraw/zinc/98/51/23/598985123.db2.gz UHLLRBOYVQYWBM-UHFFFAOYSA-N -1 1 381.396 2.053 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2n1C(F)F ZINC000736116518 598985875 /nfs/dbraw/zinc/98/58/75/598985875.db2.gz BCVDZKKPZAXXKE-SECBINFHSA-N -1 1 384.350 2.498 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2n1C(F)F ZINC000736116518 598985877 /nfs/dbraw/zinc/98/58/77/598985877.db2.gz BCVDZKKPZAXXKE-SECBINFHSA-N -1 1 384.350 2.498 20 0 GEADMM O=C(Nc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)c1ccco1 ZINC000738103235 598986577 /nfs/dbraw/zinc/98/65/77/598986577.db2.gz FMQQYBNLSVXOAH-UHFFFAOYSA-N -1 1 389.375 2.037 20 0 GEADMM O=C(Nc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)c1ccco1 ZINC000738103235 598986579 /nfs/dbraw/zinc/98/65/79/598986579.db2.gz FMQQYBNLSVXOAH-UHFFFAOYSA-N -1 1 389.375 2.037 20 0 GEADMM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736040587 598996931 /nfs/dbraw/zinc/99/69/31/598996931.db2.gz QMEWGYJSJFUHFP-JTQLQIEISA-N -1 1 392.341 2.478 20 0 GEADMM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736040587 598996932 /nfs/dbraw/zinc/99/69/32/598996932.db2.gz QMEWGYJSJFUHFP-JTQLQIEISA-N -1 1 392.341 2.478 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OCCc2ccccc2)CC1 ZINC000738257642 598999604 /nfs/dbraw/zinc/99/96/04/598999604.db2.gz AJRDJZWIZPLMHI-UHFFFAOYSA-N -1 1 378.436 2.126 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OCCc2ccccc2)CC1 ZINC000738257642 598999606 /nfs/dbraw/zinc/99/96/06/598999606.db2.gz AJRDJZWIZPLMHI-UHFFFAOYSA-N -1 1 378.436 2.126 20 0 GEADMM O=C(NCc1ccc(OC2CCCCC2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738110394 599000798 /nfs/dbraw/zinc/00/07/98/599000798.db2.gz VMDLODMCCYWGBP-UHFFFAOYSA-N -1 1 379.424 2.298 20 0 GEADMM O=C(NCc1ccc(OC2CCCCC2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738110394 599000800 /nfs/dbraw/zinc/00/08/00/599000800.db2.gz VMDLODMCCYWGBP-UHFFFAOYSA-N -1 1 379.424 2.298 20 0 GEADMM O=C(Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1)c1ccoc1 ZINC000738184105 599000877 /nfs/dbraw/zinc/00/08/77/599000877.db2.gz BCWDURGDYHKAIM-UHFFFAOYSA-N -1 1 375.348 2.359 20 0 GEADMM O=C(Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1)c1ccoc1 ZINC000738184105 599000879 /nfs/dbraw/zinc/00/08/79/599000879.db2.gz BCWDURGDYHKAIM-UHFFFAOYSA-N -1 1 375.348 2.359 20 0 GEADMM O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243903 599003590 /nfs/dbraw/zinc/00/35/90/599003590.db2.gz CTBANNPKMOKFLQ-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243903 599003592 /nfs/dbraw/zinc/00/35/92/599003592.db2.gz CTBANNPKMOKFLQ-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738208429 599004863 /nfs/dbraw/zinc/00/48/63/599004863.db2.gz MOHIXYGHGISMFV-UHFFFAOYSA-N -1 1 382.384 2.095 20 0 GEADMM O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738208429 599004865 /nfs/dbraw/zinc/00/48/65/599004865.db2.gz MOHIXYGHGISMFV-UHFFFAOYSA-N -1 1 382.384 2.095 20 0 GEADMM O=C(NCCOc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085041 599005157 /nfs/dbraw/zinc/00/51/57/599005157.db2.gz CXKVLGJCLBHNQJ-UHFFFAOYSA-N -1 1 378.314 2.089 20 0 GEADMM O=C(NCCOc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085041 599005159 /nfs/dbraw/zinc/00/51/59/599005159.db2.gz CXKVLGJCLBHNQJ-UHFFFAOYSA-N -1 1 378.314 2.089 20 0 GEADMM C[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736227978 599006103 /nfs/dbraw/zinc/00/61/03/599006103.db2.gz MSKNOYUNMLIDAH-IUCAKERBSA-N -1 1 375.376 2.305 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1-c1nn[n-]n1 ZINC000737188052 599014590 /nfs/dbraw/zinc/01/45/90/599014590.db2.gz WWEZXJYBARUBPJ-UHFFFAOYSA-N -1 1 386.441 2.322 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737077964 599020828 /nfs/dbraw/zinc/02/08/28/599020828.db2.gz WXNUOTNMVFHSOC-HNNXBMFYSA-N -1 1 380.408 2.256 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737077964 599020830 /nfs/dbraw/zinc/02/08/30/599020830.db2.gz WXNUOTNMVFHSOC-HNNXBMFYSA-N -1 1 380.408 2.256 20 0 GEADMM C[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC000735526638 599021085 /nfs/dbraw/zinc/02/10/85/599021085.db2.gz YLHBIZHINNDUCV-GFCCVEGCSA-N -1 1 399.455 2.446 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737547904 599039933 /nfs/dbraw/zinc/03/99/33/599039933.db2.gz MJLRNNNHXWELBY-GLQYFDAESA-N -1 1 382.424 2.102 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737547904 599039935 /nfs/dbraw/zinc/03/99/35/599039935.db2.gz MJLRNNNHXWELBY-GLQYFDAESA-N -1 1 382.424 2.102 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000737547913 599040035 /nfs/dbraw/zinc/04/00/35/599040035.db2.gz MJLRNNNHXWELBY-NILFDRSVSA-N -1 1 382.424 2.102 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000737547913 599040038 /nfs/dbraw/zinc/04/00/38/599040038.db2.gz MJLRNNNHXWELBY-NILFDRSVSA-N -1 1 382.424 2.102 20 0 GEADMM O=C1COc2ccccc2N1CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823540612 599040558 /nfs/dbraw/zinc/04/05/58/599040558.db2.gz HPQUFFLGPLCMCE-UHFFFAOYSA-N -1 1 385.815 2.143 20 0 GEADMM O=C1COc2ccccc2N1CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823540612 599040561 /nfs/dbraw/zinc/04/05/61/599040561.db2.gz HPQUFFLGPLCMCE-UHFFFAOYSA-N -1 1 385.815 2.143 20 0 GEADMM O=C1NCCCN1c1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000823547341 599080944 /nfs/dbraw/zinc/08/09/44/599080944.db2.gz IZQDHRHPZFHVPL-UHFFFAOYSA-N -1 1 387.407 2.473 20 0 GEADMM O=C1NCCCN1c1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000823547341 599080945 /nfs/dbraw/zinc/08/09/45/599080945.db2.gz IZQDHRHPZFHVPL-UHFFFAOYSA-N -1 1 387.407 2.473 20 0 GEADMM O=C1OCCN1c1cccc2c1CCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000823550984 599081926 /nfs/dbraw/zinc/08/19/26/599081926.db2.gz AHYSRQDZEOJHNC-UHFFFAOYSA-N -1 1 397.826 2.434 20 0 GEADMM O=C1OCCN1c1cccc2c1CCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000823550984 599081930 /nfs/dbraw/zinc/08/19/30/599081930.db2.gz AHYSRQDZEOJHNC-UHFFFAOYSA-N -1 1 397.826 2.434 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000737486316 599083753 /nfs/dbraw/zinc/08/37/53/599083753.db2.gz DCXDKMKTMQUIIH-DGCLKSJQSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000737486316 599083754 /nfs/dbraw/zinc/08/37/54/599083754.db2.gz DCXDKMKTMQUIIH-DGCLKSJQSA-N -1 1 382.472 2.106 20 0 GEADMM O=C1CCCCN1CC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000823531104 599084555 /nfs/dbraw/zinc/08/45/55/599084555.db2.gz YRTFUEAQFHRJGW-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM O=C1CCCCN1CC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000823531104 599084558 /nfs/dbraw/zinc/08/45/58/599084558.db2.gz YRTFUEAQFHRJGW-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736510047 599085284 /nfs/dbraw/zinc/08/52/84/599085284.db2.gz OOALCVRACROSBI-LLVKDONJSA-N -1 1 376.417 2.173 20 0 GEADMM CCc1noc(COc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000736712342 599091200 /nfs/dbraw/zinc/09/12/00/599091200.db2.gz DNXYPFMGCPOXNK-UHFFFAOYSA-N -1 1 393.363 2.005 20 0 GEADMM CCc1noc(COc2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000736712342 599091202 /nfs/dbraw/zinc/09/12/02/599091202.db2.gz DNXYPFMGCPOXNK-UHFFFAOYSA-N -1 1 393.363 2.005 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000738259591 599107606 /nfs/dbraw/zinc/10/76/06/599107606.db2.gz SDXBWRKKVLLFFP-UHFFFAOYSA-N -1 1 378.436 2.452 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000738259591 599107607 /nfs/dbraw/zinc/10/76/07/599107607.db2.gz SDXBWRKKVLLFFP-UHFFFAOYSA-N -1 1 378.436 2.452 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000735735790 599130697 /nfs/dbraw/zinc/13/06/97/599130697.db2.gz VLUZDGZBUNIPIQ-NOLJZWGESA-N -1 1 386.456 2.138 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000735735790 599130699 /nfs/dbraw/zinc/13/06/99/599130699.db2.gz VLUZDGZBUNIPIQ-NOLJZWGESA-N -1 1 386.456 2.138 20 0 GEADMM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737189924 599138426 /nfs/dbraw/zinc/13/84/26/599138426.db2.gz DSBCEDCSTCZTFD-SNVBAGLBSA-N -1 1 384.421 2.168 20 0 GEADMM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737189924 599138428 /nfs/dbraw/zinc/13/84/28/599138428.db2.gz DSBCEDCSTCZTFD-SNVBAGLBSA-N -1 1 384.421 2.168 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(OC(F)F)cc1 ZINC000736158415 599140328 /nfs/dbraw/zinc/14/03/28/599140328.db2.gz PMTJVVBVCAOOHH-SECBINFHSA-N -1 1 389.318 2.291 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(OC(F)F)cc1 ZINC000736158415 599140331 /nfs/dbraw/zinc/14/03/31/599140331.db2.gz PMTJVVBVCAOOHH-SECBINFHSA-N -1 1 389.318 2.291 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccccc1F ZINC000735733596 599140393 /nfs/dbraw/zinc/14/03/93/599140393.db2.gz HKSULYPDVIPHHY-OAHLLOKOSA-N -1 1 384.371 2.221 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccccc1F ZINC000735733596 599140395 /nfs/dbraw/zinc/14/03/95/599140395.db2.gz HKSULYPDVIPHHY-OAHLLOKOSA-N -1 1 384.371 2.221 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735625945 599151799 /nfs/dbraw/zinc/15/17/99/599151799.db2.gz ILXBDPRQGOGEBU-UHFFFAOYSA-N -1 1 388.428 2.066 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735625945 599151800 /nfs/dbraw/zinc/15/18/00/599151800.db2.gz ILXBDPRQGOGEBU-UHFFFAOYSA-N -1 1 388.428 2.066 20 0 GEADMM CC[C@@H](C)C[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820870205 599160000 /nfs/dbraw/zinc/16/00/00/599160000.db2.gz OZCMAFDWGXMNDL-VXGBXAGGSA-N -1 1 384.488 2.400 20 0 GEADMM CC[C@@H](C)C[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820870205 599160002 /nfs/dbraw/zinc/16/00/02/599160002.db2.gz OZCMAFDWGXMNDL-VXGBXAGGSA-N -1 1 384.488 2.400 20 0 GEADMM Clc1nsc(N2CCN(Cc3ccc(Cl)nc3)CC2)c1-c1nnn[n-]1 ZINC000737574627 599171593 /nfs/dbraw/zinc/17/15/93/599171593.db2.gz IJRQNEAUGVDPGC-UHFFFAOYSA-N -1 1 397.295 2.347 20 0 GEADMM Clc1nsc(N2CCN(Cc3ccc(Cl)nc3)CC2)c1-c1nn[n-]n1 ZINC000737574627 599171595 /nfs/dbraw/zinc/17/15/95/599171595.db2.gz IJRQNEAUGVDPGC-UHFFFAOYSA-N -1 1 397.295 2.347 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(C1CC1)C1CC1 ZINC000822459567 599197957 /nfs/dbraw/zinc/19/79/57/599197957.db2.gz SJSKHWYWXIUQFD-UHFFFAOYSA-N -1 1 394.483 2.011 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(C1CC1)C1CC1 ZINC000822459567 599197960 /nfs/dbraw/zinc/19/79/60/599197960.db2.gz SJSKHWYWXIUQFD-UHFFFAOYSA-N -1 1 394.483 2.011 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822234023 599219133 /nfs/dbraw/zinc/21/91/33/599219133.db2.gz ZZRBHIQSDKLTLC-CRAIPNDOSA-N -1 1 378.436 2.468 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822234023 599219135 /nfs/dbraw/zinc/21/91/35/599219135.db2.gz ZZRBHIQSDKLTLC-CRAIPNDOSA-N -1 1 378.436 2.468 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)CN2CCC(C(=O)[O-])CC2)cc1OC ZINC000739892674 596919432 /nfs/dbraw/zinc/91/94/32/596919432.db2.gz MJDHDUBAIWZYLU-MRXNPFEDSA-N -1 1 376.453 2.164 20 0 GEADMM CCOCCC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCC1 ZINC000821374562 607264631 /nfs/dbraw/zinc/26/46/31/607264631.db2.gz WLUXOFAPZPFJIM-UHFFFAOYSA-N -1 1 391.428 2.155 20 0 GEADMM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)[C@H](C)CO2)c1 ZINC000737322724 599229082 /nfs/dbraw/zinc/22/90/82/599229082.db2.gz MKYPKEDKFKYEME-RDTXWAMCSA-N -1 1 378.436 2.481 20 0 GEADMM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)[C@H](C)CO2)c1 ZINC000737322724 599229084 /nfs/dbraw/zinc/22/90/84/599229084.db2.gz MKYPKEDKFKYEME-RDTXWAMCSA-N -1 1 378.436 2.481 20 0 GEADMM COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818603275 597070026 /nfs/dbraw/zinc/07/00/26/597070026.db2.gz ASBGKGZMWCISIF-TZMCWYRMSA-N -1 1 377.441 2.167 20 0 GEADMM COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818603268 597070684 /nfs/dbraw/zinc/07/06/84/597070684.db2.gz ASBGKGZMWCISIF-GXTWGEPZSA-N -1 1 377.441 2.167 20 0 GEADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000533202803 597080111 /nfs/dbraw/zinc/08/01/11/597080111.db2.gz LSBLZCPPHMGNNY-GFCCVEGCSA-N -1 1 377.832 2.046 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@@H](CC(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000769756421 597084435 /nfs/dbraw/zinc/08/44/35/597084435.db2.gz SLXZWMRUKGYOAW-ZACQAIPSSA-N -1 1 389.496 2.425 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)N(C)C)cc1OC ZINC000818583042 597116857 /nfs/dbraw/zinc/11/68/57/597116857.db2.gz OJRLQVAZHRYTCF-ZBFHGGJFSA-N -1 1 393.484 2.203 20 0 GEADMM O=C([O-])Cc1ccccc1NC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000819602981 597343957 /nfs/dbraw/zinc/34/39/57/597343957.db2.gz PSZCAULQVIUCST-UHFFFAOYSA-N -1 1 375.469 2.280 20 0 GEADMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000737172060 599262096 /nfs/dbraw/zinc/26/20/96/599262096.db2.gz RLAYQBKRARTKDD-DEOSSOPVSA-N -1 1 397.869 2.058 20 0 GEADMM C[C@H](C(=O)[O-])N(C)C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000269082840 597459159 /nfs/dbraw/zinc/45/91/59/597459159.db2.gz IUVSGXPJSXEIPX-GFCCVEGCSA-N -1 1 377.466 2.177 20 0 GEADMM O=C([O-])c1ccc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000821545541 597608555 /nfs/dbraw/zinc/60/85/55/597608555.db2.gz DNKMEIIXJWMICL-UHFFFAOYSA-N -1 1 389.496 2.419 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cnc2ccsc2c1 ZINC000823583566 607328269 /nfs/dbraw/zinc/32/82/69/607328269.db2.gz UOJZUNIZZUWSJW-UHFFFAOYSA-N -1 1 376.398 2.416 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821474831 598173304 /nfs/dbraw/zinc/17/33/04/598173304.db2.gz NICPFPWZQZDEDL-INIZCTEOSA-N -1 1 381.432 2.104 20 0 GEADMM CN1CCN(C[C@H](NC(=O)Nc2ccccc2C(=O)[O-])c2ccccc2)CC1 ZINC000820625846 598178253 /nfs/dbraw/zinc/17/82/53/598178253.db2.gz ABPPLSVZJHTBCG-IBGZPJMESA-N -1 1 382.464 2.495 20 0 GEADMM COc1ccc2ccc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2c1 ZINC000737119446 598261161 /nfs/dbraw/zinc/26/11/61/598261161.db2.gz AEGFZBWCQOZQTO-UHFFFAOYSA-N -1 1 383.389 2.191 20 0 GEADMM COc1ccc2ccc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2c1 ZINC000737119446 598261163 /nfs/dbraw/zinc/26/11/63/598261163.db2.gz AEGFZBWCQOZQTO-UHFFFAOYSA-N -1 1 383.389 2.191 20 0 GEADMM CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736556268 598265676 /nfs/dbraw/zinc/26/56/76/598265676.db2.gz PWBKDBHMECWEGF-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736556268 598265678 /nfs/dbraw/zinc/26/56/78/598265678.db2.gz PWBKDBHMECWEGF-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736507471 598266685 /nfs/dbraw/zinc/26/66/85/598266685.db2.gz DHTCMTGPPQZOCR-LLVKDONJSA-N -1 1 376.417 2.173 20 0 GEADMM CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736507471 598266687 /nfs/dbraw/zinc/26/66/87/598266687.db2.gz DHTCMTGPPQZOCR-LLVKDONJSA-N -1 1 376.417 2.173 20 0 GEADMM O=S(=O)(NC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328012 598269460 /nfs/dbraw/zinc/26/94/60/598269460.db2.gz BBRLRUASGFHMNS-UHFFFAOYSA-N -1 1 388.428 2.149 20 0 GEADMM O=S(=O)(NC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328012 598269461 /nfs/dbraw/zinc/26/94/61/598269461.db2.gz BBRLRUASGFHMNS-UHFFFAOYSA-N -1 1 388.428 2.149 20 0 GEADMM CCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736471962 598269997 /nfs/dbraw/zinc/26/99/97/598269997.db2.gz LQKQLAGZGNJUPV-QGZVFWFLSA-N -1 1 384.465 2.350 20 0 GEADMM CCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736471962 598269998 /nfs/dbraw/zinc/26/99/98/598269998.db2.gz LQKQLAGZGNJUPV-QGZVFWFLSA-N -1 1 384.465 2.350 20 0 GEADMM CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736559056 598270928 /nfs/dbraw/zinc/27/09/28/598270928.db2.gz UCYUAVCKBORKMK-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736559056 598270930 /nfs/dbraw/zinc/27/09/30/598270930.db2.gz UCYUAVCKBORKMK-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM Cc1cc(F)ccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822204540 607349655 /nfs/dbraw/zinc/34/96/55/607349655.db2.gz SFXUKTIWKUBXNL-UHFFFAOYSA-N -1 1 397.414 2.142 20 0 GEADMM COc1ccc(Nc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)cc1 ZINC000737105019 598337746 /nfs/dbraw/zinc/33/77/46/598337746.db2.gz CIIYPXWWSZDJFF-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM Fc1ccc(CNc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)cc1 ZINC000737647354 598339611 /nfs/dbraw/zinc/33/96/11/598339611.db2.gz CJEWCXMFATURNH-UHFFFAOYSA-N -1 1 387.429 2.411 20 0 GEADMM CC(=O)NC(C)(C)C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000735475825 598364630 /nfs/dbraw/zinc/36/46/30/598364630.db2.gz QMGNQIXVSDOJPH-UHFFFAOYSA-N -1 1 395.423 2.216 20 0 GEADMM CCc1nn(CC(=O)c2cc(C)n(C3CC3)c2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705571 598377949 /nfs/dbraw/zinc/37/79/49/598377949.db2.gz KOJZSXQFNGHNSN-UHFFFAOYSA-N -1 1 395.467 2.184 20 0 GEADMM CCc1nn(Cc2ccc(OC(F)(F)F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705942 598379443 /nfs/dbraw/zinc/37/94/43/598379443.db2.gz DJGCHPHIKBNHIO-UHFFFAOYSA-N -1 1 394.357 2.495 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000737199287 598398720 /nfs/dbraw/zinc/39/87/20/598398720.db2.gz GIZIOOWXPVGDCN-INIZCTEOSA-N -1 1 396.426 2.460 20 0 GEADMM CCOC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736596518 598401879 /nfs/dbraw/zinc/40/18/79/598401879.db2.gz QJJFHJYPIRXTTM-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM CCOC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736596518 598401880 /nfs/dbraw/zinc/40/18/80/598401880.db2.gz QJJFHJYPIRXTTM-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM CCC[C@H](C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736422833 598409845 /nfs/dbraw/zinc/40/98/45/598409845.db2.gz JSYNEODQQDENHJ-ZDUSSCGKSA-N -1 1 397.439 2.360 20 0 GEADMM CCC[C@H](C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736422833 598409847 /nfs/dbraw/zinc/40/98/47/598409847.db2.gz JSYNEODQQDENHJ-ZDUSSCGKSA-N -1 1 397.439 2.360 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccnn1C(C)(C)C ZINC000737199160 598421518 /nfs/dbraw/zinc/42/15/18/598421518.db2.gz FTHCDOLBDCELOO-UHFFFAOYSA-N -1 1 384.444 2.107 20 0 GEADMM Cc1nn(Cc2ncc(-c3ccc(Cl)cc3)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524440 598473113 /nfs/dbraw/zinc/47/31/13/598473113.db2.gz ZFVHUBBCVSUXAP-UHFFFAOYSA-N -1 1 383.799 2.397 20 0 GEADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737513859 598501632 /nfs/dbraw/zinc/50/16/32/598501632.db2.gz XBTZMKSKEUTBQZ-JTQLQIEISA-N -1 1 380.412 2.092 20 0 GEADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737513859 598501633 /nfs/dbraw/zinc/50/16/33/598501633.db2.gz XBTZMKSKEUTBQZ-JTQLQIEISA-N -1 1 380.412 2.092 20 0 GEADMM C[C@@H]1CCC[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)[C@H]1C ZINC000736262683 598503416 /nfs/dbraw/zinc/50/34/16/598503416.db2.gz PTHOKWHBMVAIBL-WWGRRREGSA-N -1 1 380.452 2.123 20 0 GEADMM CCOc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736655231 598503538 /nfs/dbraw/zinc/50/35/38/598503538.db2.gz QVENANYPIWUXNN-UHFFFAOYSA-N -1 1 390.403 2.219 20 0 GEADMM C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)[C@H]1C ZINC000736262680 598503711 /nfs/dbraw/zinc/50/37/11/598503711.db2.gz PTHOKWHBMVAIBL-DVOMOZLQSA-N -1 1 380.452 2.123 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)C1CCCCC1 ZINC000737546756 598530414 /nfs/dbraw/zinc/53/04/14/598530414.db2.gz FVWRTYKQWAOOFL-CQSZACIVSA-N -1 1 384.440 2.230 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)C1CCCCC1 ZINC000737546756 598530415 /nfs/dbraw/zinc/53/04/15/598530415.db2.gz FVWRTYKQWAOOFL-CQSZACIVSA-N -1 1 384.440 2.230 20 0 GEADMM CC1CCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)CC1 ZINC000736277229 598575728 /nfs/dbraw/zinc/57/57/28/598575728.db2.gz LJVDZMFXGQNZDT-UHFFFAOYSA-N -1 1 389.891 2.390 20 0 GEADMM CC1CCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)CC1 ZINC000736277229 598575729 /nfs/dbraw/zinc/57/57/29/598575729.db2.gz LJVDZMFXGQNZDT-UHFFFAOYSA-N -1 1 389.891 2.390 20 0 GEADMM Cc1ccc(Oc2nccnc2-c2nn[n-]n2)c(I)c1 ZINC000822266468 599687670 /nfs/dbraw/zinc/68/76/70/599687670.db2.gz AOMLTDQBEJHLIO-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)nc1 ZINC000737356054 598576518 /nfs/dbraw/zinc/57/65/18/598576518.db2.gz OJCGYFOYTQJPBG-LBPRGKRZSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)nc1 ZINC000737356054 598576520 /nfs/dbraw/zinc/57/65/20/598576520.db2.gz OJCGYFOYTQJPBG-LBPRGKRZSA-N -1 1 398.858 2.474 20 0 GEADMM O=C(c1ccsc1)N1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738289470 598576833 /nfs/dbraw/zinc/57/68/33/598576833.db2.gz JAUITZCQWYWGED-UHFFFAOYSA-N -1 1 389.872 2.329 20 0 GEADMM O=C(c1ccsc1)N1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738289470 598576834 /nfs/dbraw/zinc/57/68/34/598576834.db2.gz JAUITZCQWYWGED-UHFFFAOYSA-N -1 1 389.872 2.329 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736425275 598578658 /nfs/dbraw/zinc/57/86/58/598578658.db2.gz VFIJURNLMFDGCR-VXGBXAGGSA-N -1 1 377.880 2.436 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736425275 598578659 /nfs/dbraw/zinc/57/86/59/598578659.db2.gz VFIJURNLMFDGCR-VXGBXAGGSA-N -1 1 377.880 2.436 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCc1ccccc1F ZINC000737200900 598587978 /nfs/dbraw/zinc/58/79/78/598587978.db2.gz OBGHQXRPSCYZCT-UHFFFAOYSA-N -1 1 398.442 2.357 20 0 GEADMM Cc1nc(Cc2noc(CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)n2)cs1 ZINC000737478777 598610146 /nfs/dbraw/zinc/61/01/46/598610146.db2.gz ZJRULVMTBDCSPT-UHFFFAOYSA-N -1 1 398.452 2.108 20 0 GEADMM COc1ccc(C2(NC(=O)c3cc(-c4nn[n-]n4)c(SC)[nH]c3=O)CC2)cc1 ZINC000737078500 598614309 /nfs/dbraw/zinc/61/43/09/598614309.db2.gz YMRJGHFDEAJTLH-UHFFFAOYSA-N -1 1 398.448 2.117 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344735 598616419 /nfs/dbraw/zinc/61/64/19/598616419.db2.gz ZRDKSPFIBZUWGA-DOTOQJQBSA-N -1 1 398.492 2.342 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344735 598616421 /nfs/dbraw/zinc/61/64/21/598616421.db2.gz ZRDKSPFIBZUWGA-DOTOQJQBSA-N -1 1 398.492 2.342 20 0 GEADMM CCc1cccc(C)c1NC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736700504 598641459 /nfs/dbraw/zinc/64/14/59/598641459.db2.gz STNJSXKNOVGVEG-UHFFFAOYSA-N -1 1 395.467 2.058 20 0 GEADMM O=C(NCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000738065854 598675822 /nfs/dbraw/zinc/67/58/22/598675822.db2.gz KVIVVNXJPYYREO-UHFFFAOYSA-N -1 1 375.795 2.286 20 0 GEADMM O=C(NCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000738065854 598675824 /nfs/dbraw/zinc/67/58/24/598675824.db2.gz KVIVVNXJPYYREO-UHFFFAOYSA-N -1 1 375.795 2.286 20 0 GEADMM CCCCOc1ccc(-c2nnc(Cn3cccc(-c4nn[n-]n4)c3=O)o2)cc1 ZINC000736462792 598675847 /nfs/dbraw/zinc/67/58/47/598675847.db2.gz HQMFXUOPOJKPKS-UHFFFAOYSA-N -1 1 393.407 2.306 20 0 GEADMM CC1(C)Cc2cccc(OS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)c2O1 ZINC000736214660 598686311 /nfs/dbraw/zinc/68/63/11/598686311.db2.gz PEMBNHQSBONQRX-UHFFFAOYSA-N -1 1 390.396 2.487 20 0 GEADMM COc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737073409 598688166 /nfs/dbraw/zinc/68/81/66/598688166.db2.gz QDTAUQMPLLXARG-NSHDSACASA-N -1 1 391.428 2.396 20 0 GEADMM COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737075580 598688184 /nfs/dbraw/zinc/68/81/84/598688184.db2.gz NBIMSJZKLDDGSV-LLVKDONJSA-N -1 1 391.428 2.362 20 0 GEADMM COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737075583 598688394 /nfs/dbraw/zinc/68/83/94/598688394.db2.gz NBIMSJZKLDDGSV-NSHDSACASA-N -1 1 391.428 2.362 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000738356124 598689411 /nfs/dbraw/zinc/68/94/11/598689411.db2.gz XEQLSLATIMUQAI-AWEZNQCLSA-N -1 1 387.440 2.402 20 0 GEADMM CCc1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)s1 ZINC000736693212 598719335 /nfs/dbraw/zinc/71/93/35/598719335.db2.gz ZHJBNRVSUNHPMK-UHFFFAOYSA-N -1 1 394.460 2.122 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NCc1ccccc1 ZINC000737981078 598721774 /nfs/dbraw/zinc/72/17/74/598721774.db2.gz IIVXWOPXKXNJCI-UHFFFAOYSA-N -1 1 394.822 2.151 20 0 GEADMM Cc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)on1 ZINC000737262499 598722620 /nfs/dbraw/zinc/72/26/20/598722620.db2.gz HYYNSAFONCLKRG-UHFFFAOYSA-N -1 1 387.197 2.289 20 0 GEADMM O=C(OCC1CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738217971 598727873 /nfs/dbraw/zinc/72/78/73/598727873.db2.gz BLTQYAYTQAIAEN-UHFFFAOYSA-N -1 1 384.396 2.284 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000737771399 598780418 /nfs/dbraw/zinc/78/04/18/598780418.db2.gz QYECAEWRTKRPDX-UHFFFAOYSA-N -1 1 383.318 2.404 20 0 GEADMM CCc1cc(N2CCC[C@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2)ncn1 ZINC000736676048 598785857 /nfs/dbraw/zinc/78/58/57/598785857.db2.gz PEWVSQXAGWDONY-LBPRGKRZSA-N -1 1 385.863 2.348 20 0 GEADMM CCc1cc(N2CCC[C@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2)ncn1 ZINC000736676048 598785858 /nfs/dbraw/zinc/78/58/58/598785858.db2.gz PEWVSQXAGWDONY-LBPRGKRZSA-N -1 1 385.863 2.348 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC(C)(C)C1 ZINC000737487492 598794534 /nfs/dbraw/zinc/79/45/34/598794534.db2.gz KLDHSBXOYIZFDE-UHFFFAOYSA-N -1 1 382.472 2.107 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC(C)(C)C1 ZINC000737487492 598794535 /nfs/dbraw/zinc/79/45/35/598794535.db2.gz KLDHSBXOYIZFDE-UHFFFAOYSA-N -1 1 382.472 2.107 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000821719914 599326451 /nfs/dbraw/zinc/32/64/51/599326451.db2.gz JKHXYPAUELVAKM-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM CC(C)COC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820098332 599339182 /nfs/dbraw/zinc/33/91/82/599339182.db2.gz WRYWNRPQQFMMAB-UHFFFAOYSA-N -1 1 399.904 2.346 20 0 GEADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821850023 599340163 /nfs/dbraw/zinc/34/01/63/599340163.db2.gz VHPBHCRFRICIDB-UHFFFAOYSA-N -1 1 391.840 2.280 20 0 GEADMM O=C1O[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CN1c1ccccc1 ZINC000738318531 599340512 /nfs/dbraw/zinc/34/05/12/599340512.db2.gz KCZWNWYYMKCEIY-CQSZACIVSA-N -1 1 388.387 2.207 20 0 GEADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820665166 599351246 /nfs/dbraw/zinc/35/12/46/599351246.db2.gz DRJXRLKQQSTHFJ-IOASZLSFSA-N -1 1 384.465 2.217 20 0 GEADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820665166 599351250 /nfs/dbraw/zinc/35/12/50/599351250.db2.gz DRJXRLKQQSTHFJ-IOASZLSFSA-N -1 1 384.465 2.217 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1c1ccccc1 ZINC000820768063 599357811 /nfs/dbraw/zinc/35/78/11/599357811.db2.gz LLWJANPFBMZCNE-CJNGLKHVSA-N -1 1 384.465 2.076 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1c1ccccc1 ZINC000820768063 599357813 /nfs/dbraw/zinc/35/78/13/599357813.db2.gz LLWJANPFBMZCNE-CJNGLKHVSA-N -1 1 384.465 2.076 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823601241 599361348 /nfs/dbraw/zinc/36/13/48/599361348.db2.gz XMYXHQCERIOVEU-ZDUSSCGKSA-N -1 1 395.460 2.118 20 0 GEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)[nH]n1 ZINC000735648074 599361687 /nfs/dbraw/zinc/36/16/87/599361687.db2.gz LPDXTBXUZGTJBO-UHFFFAOYSA-N -1 1 381.849 2.342 20 0 GEADMM c1ccc(-c2nnc3n2CCN(c2c4ccccc4nnc2-c2nnn[n-]2)C3)cc1 ZINC000823766886 599361690 /nfs/dbraw/zinc/36/16/90/599361690.db2.gz LBDWGPSMAZTDDX-UHFFFAOYSA-N -1 1 396.418 2.089 20 0 GEADMM c1ccc(-c2nnc3n2CCN(c2c4ccccc4nnc2-c2nn[n-]n2)C3)cc1 ZINC000823766886 599361692 /nfs/dbraw/zinc/36/16/92/599361692.db2.gz LBDWGPSMAZTDDX-UHFFFAOYSA-N -1 1 396.418 2.089 20 0 GEADMM O=C(c1ccc(Cl)cc1F)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738258549 599428328 /nfs/dbraw/zinc/42/83/28/599428328.db2.gz PMCQADBQKNQYFV-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM O=C(c1ccc(Cl)cc1F)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738258549 599428330 /nfs/dbraw/zinc/42/83/30/599428330.db2.gz PMCQADBQKNQYFV-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000821978126 599445759 /nfs/dbraw/zinc/44/57/59/599445759.db2.gz JGBKODRNQVIGDE-SMDDNHRTSA-N -1 1 382.449 2.050 20 0 GEADMM CNC(=O)COc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000821633890 599485392 /nfs/dbraw/zinc/48/53/92/599485392.db2.gz IWKOBTTXDYDCCO-UHFFFAOYSA-N -1 1 389.419 2.152 20 0 GEADMM CNC(=O)COc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000821633890 599485393 /nfs/dbraw/zinc/48/53/93/599485393.db2.gz IWKOBTTXDYDCCO-UHFFFAOYSA-N -1 1 389.419 2.152 20 0 GEADMM Cc1cc(C)n(C[C@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)n1 ZINC000822198781 599538851 /nfs/dbraw/zinc/53/88/51/599538851.db2.gz KEIHIVIEBSEDGF-OAHLLOKOSA-N -1 1 390.451 2.134 20 0 GEADMM Cc1cc(C)n(C[C@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)n1 ZINC000822198781 599538854 /nfs/dbraw/zinc/53/88/54/599538854.db2.gz KEIHIVIEBSEDGF-OAHLLOKOSA-N -1 1 390.451 2.134 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2S1 ZINC000736277825 599559277 /nfs/dbraw/zinc/55/92/77/599559277.db2.gz YUDINNTVHFMZOB-LLVKDONJSA-N -1 1 388.478 2.341 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2S1 ZINC000736277825 599559279 /nfs/dbraw/zinc/55/92/79/599559279.db2.gz YUDINNTVHFMZOB-LLVKDONJSA-N -1 1 388.478 2.341 20 0 GEADMM Cc1nc2n(c1C)CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nn[n-]n1)C2 ZINC000737490302 599572526 /nfs/dbraw/zinc/57/25/26/599572526.db2.gz SLVAGBWLVSHGAB-UHFFFAOYSA-N -1 1 392.423 2.028 20 0 GEADMM Cc1oc(NC(=O)[C@@H](C)N2CCc3ccc(O)cc3C2)c(-c2nn[n-]n2)c1C ZINC000737553972 599586702 /nfs/dbraw/zinc/58/67/02/599586702.db2.gz YRLHBVIIRYNBTE-LLVKDONJSA-N -1 1 382.424 2.167 20 0 GEADMM CN(Cc1ccccn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736828050 599594000 /nfs/dbraw/zinc/59/40/00/599594000.db2.gz FXGRINGPBMCUEZ-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000735678870 599595124 /nfs/dbraw/zinc/59/51/24/599595124.db2.gz YEVHKWISNCXUAU-UHFFFAOYSA-N -1 1 378.845 2.129 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000735678870 599595127 /nfs/dbraw/zinc/59/51/27/599595127.db2.gz YEVHKWISNCXUAU-UHFFFAOYSA-N -1 1 378.845 2.129 20 0 GEADMM C[C@H]1CSCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736292182 599596701 /nfs/dbraw/zinc/59/67/01/599596701.db2.gz HHHKQYPWHYXISM-QMMMGPOBSA-N -1 1 393.416 2.012 20 0 GEADMM Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737327809 599597575 /nfs/dbraw/zinc/59/75/75/599597575.db2.gz BMMDSINQCZQISO-HNNXBMFYSA-N -1 1 388.453 2.469 20 0 GEADMM Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737327809 599597577 /nfs/dbraw/zinc/59/75/77/599597577.db2.gz BMMDSINQCZQISO-HNNXBMFYSA-N -1 1 388.453 2.469 20 0 GEADMM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736397371 599604186 /nfs/dbraw/zinc/60/41/86/599604186.db2.gz SKICLFAAZBGPFD-CYBMUJFWSA-N -1 1 385.453 2.308 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)c2ccsc2)c(-c2nn[n-]n2)c1C ZINC000737551908 599608155 /nfs/dbraw/zinc/60/81/55/599608155.db2.gz LCISZUQRTDHPQB-VIFPVBQESA-N -1 1 375.410 2.423 20 0 GEADMM CO[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(C)C ZINC000821677560 599653872 /nfs/dbraw/zinc/65/38/72/599653872.db2.gz ZTJZVSCXSZSUQH-ZDUSSCGKSA-N -1 1 376.486 2.262 20 0 GEADMM CO[C@]1(C)C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821678191 599654768 /nfs/dbraw/zinc/65/47/68/599654768.db2.gz KTMUWWBWSGWTPH-CWTRNNRKSA-N -1 1 384.440 2.492 20 0 GEADMM CO[C@]1(C)C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821678191 599654769 /nfs/dbraw/zinc/65/47/69/599654769.db2.gz KTMUWWBWSGWTPH-CWTRNNRKSA-N -1 1 384.440 2.492 20 0 GEADMM COc1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c(C)c1 ZINC000821772933 599666788 /nfs/dbraw/zinc/66/67/88/599666788.db2.gz VCGROQYTZGNNAA-UHFFFAOYSA-N -1 1 385.380 2.189 20 0 GEADMM Cc1ccccc1CN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000738770408 599772255 /nfs/dbraw/zinc/77/22/55/599772255.db2.gz JQRQLASIIMWRSV-UHFFFAOYSA-N -1 1 378.450 2.229 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(-c2cccnc2)no1 ZINC000736390947 599776691 /nfs/dbraw/zinc/77/66/91/599776691.db2.gz XJGWUUXPWWMMID-ZDUSSCGKSA-N -1 1 392.393 2.098 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)N2CCCN(CCCc3ccccc3)CC2)o1 ZINC000740173772 599777041 /nfs/dbraw/zinc/77/70/41/599777041.db2.gz QEZXMVBHUUBEOZ-UHFFFAOYSA-N -1 1 392.477 2.307 20 0 GEADMM COc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000737849740 599778349 /nfs/dbraw/zinc/77/83/49/599778349.db2.gz VHJCPZPLCGWULW-KRWDZBQOSA-N -1 1 395.415 2.423 20 0 GEADMM O=C([O-])[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccccc1 ZINC000324602857 599785816 /nfs/dbraw/zinc/78/58/16/599785816.db2.gz JLKVCEOGPDVWJS-INIZCTEOSA-N -1 1 388.221 2.373 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000736650757 599853691 /nfs/dbraw/zinc/85/36/91/599853691.db2.gz PMGWXLFKUULGDJ-GWCFXTLKSA-N -1 1 386.433 2.075 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820657127 607405008 /nfs/dbraw/zinc/40/50/08/607405008.db2.gz JNSVRQQMNDEMCC-QWRGUYRKSA-N -1 1 392.485 2.446 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820657127 607405009 /nfs/dbraw/zinc/40/50/09/607405009.db2.gz JNSVRQQMNDEMCC-QWRGUYRKSA-N -1 1 392.485 2.446 20 0 GEADMM NC(=O)c1cccnc1N1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000739183165 599938188 /nfs/dbraw/zinc/93/81/88/599938188.db2.gz BUUFSFMZJXMIKK-UHFFFAOYSA-N -1 1 396.472 2.416 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1cc(F)ccc1F ZINC000737575984 599938468 /nfs/dbraw/zinc/93/84/68/599938468.db2.gz DDRMJWNYEVSQQN-HNNXBMFYSA-N -1 1 399.371 2.164 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000739425754 599942014 /nfs/dbraw/zinc/94/20/14/599942014.db2.gz IIFAFVDOFVAGME-KRWDZBQOSA-N -1 1 387.436 2.493 20 0 GEADMM Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738850585 599969033 /nfs/dbraw/zinc/96/90/33/599969033.db2.gz QQFIUWPZUSZOML-KBXCAEBGSA-N -1 1 399.495 2.010 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000738546391 599982927 /nfs/dbraw/zinc/98/29/27/599982927.db2.gz XDKJLYFAWLJRFB-UHFFFAOYSA-N -1 1 375.406 2.238 20 0 GEADMM Cc1cc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)ccc1C(=O)[O-] ZINC000738442697 600016888 /nfs/dbraw/zinc/01/68/88/600016888.db2.gz YRWKWAAVZRWBKG-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736443063 600021864 /nfs/dbraw/zinc/02/18/64/600021864.db2.gz MPXWFSYIKWVOIU-KRWDZBQOSA-N -1 1 395.525 2.483 20 0 GEADMM Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1C(=O)[O-] ZINC000738411460 600042644 /nfs/dbraw/zinc/04/26/44/600042644.db2.gz RXFXFFXBNBVFPM-AWEZNQCLSA-N -1 1 375.450 2.112 20 0 GEADMM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000737717261 600105433 /nfs/dbraw/zinc/10/54/33/600105433.db2.gz KDAVRNIHTKJXCC-UHFFFAOYSA-N -1 1 398.462 2.408 20 0 GEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000739546295 600109960 /nfs/dbraw/zinc/10/99/60/600109960.db2.gz BMMFEYRZATVCNB-JKSUJKDBSA-N -1 1 399.413 2.054 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000738532380 600120198 /nfs/dbraw/zinc/12/01/98/600120198.db2.gz LGVBABLOFBKTKK-HXUWFJFHSA-N -1 1 397.475 2.295 20 0 GEADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)cc2C[C@H]1C ZINC000436826074 600177482 /nfs/dbraw/zinc/17/74/82/600177482.db2.gz NKTLFVYYMFNJCU-SNVBAGLBSA-N -1 1 390.417 2.189 20 0 GEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000736488688 600183522 /nfs/dbraw/zinc/18/35/22/600183522.db2.gz VLLBERXPEPXQAP-IRXDYDNUSA-N -1 1 391.468 2.235 20 0 GEADMM O=C([O-])c1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000740146750 600185246 /nfs/dbraw/zinc/18/52/46/600185246.db2.gz GCFKHUQSYPXUSF-UONOGXRCSA-N -1 1 399.394 2.049 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3nccn3)cc2)c(F)cc1F ZINC000740089970 600233293 /nfs/dbraw/zinc/23/32/93/600233293.db2.gz QVDMREWCJSVFLD-UHFFFAOYSA-N -1 1 380.332 2.045 20 0 GEADMM CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC000737161274 600286005 /nfs/dbraw/zinc/28/60/05/600286005.db2.gz FYMGGPZWZULWEL-UONOGXRCSA-N -1 1 392.452 2.247 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000737867007 600291043 /nfs/dbraw/zinc/29/10/43/600291043.db2.gz GHCIQNLGZZGNJM-GOEBONIOSA-N -1 1 390.480 2.376 20 0 GEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCC(OCc3ccccc3)CC1)CC2 ZINC000739533284 600291821 /nfs/dbraw/zinc/29/18/21/600291821.db2.gz VQBWHMUBNJQRNN-LJQANCHMSA-N -1 1 386.492 2.381 20 0 GEADMM Cc1ccc([C@H](CNC(=O)Nc2nnc(CCC(=O)[O-])s2)N2CCCC2)o1 ZINC000738559530 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OMSYYICWQUYEAS-UHFFFAOYSA-N -1 1 388.399 2.102 20 0 GEADMM CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000301134902 601209080 /nfs/dbraw/zinc/20/90/80/601209080.db2.gz VLIYMWPDCJLCTF-UHFFFAOYSA-N -1 1 380.441 2.276 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000371928442 601234486 /nfs/dbraw/zinc/23/44/86/601234486.db2.gz ZGZAXKLVNHLUBZ-OAHLLOKOSA-N -1 1 382.482 2.032 20 0 GEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828239593 601234829 /nfs/dbraw/zinc/23/48/29/601234829.db2.gz OZEGTPSWQWFIBB-PHIMTYICSA-N -1 1 376.425 2.204 20 0 GEADMM O=C([O-])c1c(F)ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)c1F ZINC000833294350 601235097 /nfs/dbraw/zinc/23/50/97/601235097.db2.gz BEPCMBCBXHOJRT-GFCCVEGCSA-N -1 1 388.436 2.302 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)c[nH]1 ZINC000748673868 601250685 /nfs/dbraw/zinc/25/06/85/601250685.db2.gz MRLKFZNHJRDSCO-HSZRJFAPSA-N -1 1 382.341 2.141 20 0 GEADMM O=C([O-])[C@H](CNC(=O)CSc1n[nH]c(=S)s1)Cc1cccc(F)c1 ZINC000833116379 601283379 /nfs/dbraw/zinc/28/33/79/601283379.db2.gz SSLPTOKKFMYVPO-VIFPVBQESA-N -1 1 387.483 2.118 20 0 GEADMM CCC1CCC(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)(C(=O)[O-])CC1 ZINC000829086649 601295639 /nfs/dbraw/zinc/29/56/39/601295639.db2.gz SCVSGOBSSOUZMZ-UHFFFAOYSA-N -1 1 386.452 2.223 20 0 GEADMM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(C)c1 ZINC000048382820 601324927 /nfs/dbraw/zinc/32/49/27/601324927.db2.gz CSCOOKXBRJJOTB-UHFFFAOYSA-N -1 1 392.433 2.252 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000588834863 601328155 /nfs/dbraw/zinc/32/81/55/601328155.db2.gz YSMFZUNLIHBMKC-UHFFFAOYSA-N -1 1 375.362 2.244 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2)nc1 ZINC000832204097 601360433 /nfs/dbraw/zinc/36/04/33/601360433.db2.gz CQYVQAOWDSKUGF-UHFFFAOYSA-N -1 1 377.422 2.189 20 0 GEADMM COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000831375489 601383969 /nfs/dbraw/zinc/38/39/69/601383969.db2.gz ZGXGZBJUJBXTJT-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000833344948 601384363 /nfs/dbraw/zinc/38/43/63/601384363.db2.gz NGFKJXMAVOJZFB-UHFFFAOYSA-N -1 1 397.796 2.191 20 0 GEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000826005028 601386560 /nfs/dbraw/zinc/38/65/60/601386560.db2.gz RCEQDNOLAQNUMG-CZUORRHYSA-N -1 1 376.453 2.053 20 0 GEADMM CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000830032911 601387732 /nfs/dbraw/zinc/38/77/32/601387732.db2.gz SXMLRWGVMWTSJQ-UHFFFAOYSA-N -1 1 392.433 2.286 20 0 GEADMM CO[C@H](C)c1noc(CN2CCCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)n1 ZINC000831505723 601425073 /nfs/dbraw/zinc/42/50/73/601425073.db2.gz SYVXHXIZDFEVBO-DYVFJYSZSA-N -1 1 392.431 2.250 20 0 GEADMM COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000563725634 601546831 /nfs/dbraw/zinc/54/68/31/601546831.db2.gz XRRZWWCKDJDIRI-UTKZUKDTSA-N -1 1 399.443 2.322 20 0 GEADMM CCN1C[C@@H](C)[C@@H](Nc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)C1 ZINC000829752605 601565109 /nfs/dbraw/zinc/56/51/09/601565109.db2.gz JHHFZMREPJCOPD-RISCZKNCSA-N -1 1 376.844 2.336 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CN1C1CC1 ZINC000828167869 601569567 /nfs/dbraw/zinc/56/95/67/601569567.db2.gz LGJYFPBSEBILHR-QWRGUYRKSA-N -1 1 393.509 2.424 20 0 GEADMM COC(=O)[C@@]1(NC(=O)c2cccc(C(=O)[O-])c2)CCCN(Cc2ccccc2)C1 ZINC000831093589 601734062 /nfs/dbraw/zinc/73/40/62/601734062.db2.gz JHIMGNYLCBWPLE-JOCHJYFZSA-N -1 1 396.443 2.322 20 0 GEADMM COCc1nc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cs1 ZINC000831826562 601740023 /nfs/dbraw/zinc/74/00/23/601740023.db2.gz GYWMDAKPTGQKMP-IBGZPJMESA-N -1 1 389.477 2.139 20 0 GEADMM COC(=O)[C@@]1(NC(=O)c2ccc(C(=O)[O-])cc2)CCCN(Cc2ccccc2)C1 ZINC000831093420 601740461 /nfs/dbraw/zinc/74/04/61/601740461.db2.gz HAQIIFXKYYRMNL-JOCHJYFZSA-N -1 1 396.443 2.322 20 0 GEADMM Cc1ccc(C(=O)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832910626 601740761 /nfs/dbraw/zinc/74/07/61/601740761.db2.gz WYGXDBYSWOPKHL-JOCHJYFZSA-N -1 1 380.444 2.413 20 0 GEADMM C[C@@H](c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000827934077 601769220 /nfs/dbraw/zinc/76/92/20/601769220.db2.gz CKKZKUUQTCLASI-NSHDSACASA-N -1 1 397.478 2.035 20 0 GEADMM COC(=O)CCCc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000831152210 601770742 /nfs/dbraw/zinc/77/07/42/601770742.db2.gz OTOHVMAFTBYJMZ-UHFFFAOYSA-N -1 1 398.462 2.446 20 0 GEADMM C[C@@H](CS(=O)(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000827531730 601782436 /nfs/dbraw/zinc/78/24/36/601782436.db2.gz CMGIYAPSWKJFHY-LBPRGKRZSA-N -1 1 396.431 2.120 20 0 GEADMM CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829464606 601785510 /nfs/dbraw/zinc/78/55/10/601785510.db2.gz IZOKXSIZVJIRDX-WMZOPIPTSA-N -1 1 382.526 2.414 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)N(CCN(C)C)C1CCCCC1 ZINC000831923508 601799897 /nfs/dbraw/zinc/79/98/97/601799897.db2.gz LLDSOPZPHRDIBS-UHFFFAOYSA-N -1 1 390.527 2.340 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc(F)c1F ZINC000833304015 601831624 /nfs/dbraw/zinc/83/16/24/601831624.db2.gz JVGIYPROZVYKHW-UHFFFAOYSA-N -1 1 397.281 2.382 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(-n2cccn2)c1 ZINC000833345510 601836330 /nfs/dbraw/zinc/83/63/30/601836330.db2.gz YCWHZXKERFDZGG-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC(CCC(=O)[O-])CC2)c1OC ZINC000662218440 601842232 /nfs/dbraw/zinc/84/22/32/601842232.db2.gz MXVBWHIMWRCJMF-UHFFFAOYSA-N -1 1 378.469 2.239 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000662218059 601842288 /nfs/dbraw/zinc/84/22/88/601842288.db2.gz LAPUXIGEMBSCNW-AWEZNQCLSA-N -1 1 378.469 2.458 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000828170201 601865637 /nfs/dbraw/zinc/86/56/37/601865637.db2.gz XSPOPVKAMOJYPE-BBRMVZONSA-N -1 1 399.422 2.242 20 0 GEADMM COC1(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CCN(C(=O)[O-])CC1 ZINC000739799802 601888352 /nfs/dbraw/zinc/88/83/52/601888352.db2.gz VKPPOFQPFDUAAV-HNNXBMFYSA-N -1 1 379.457 2.000 20 0 GEADMM Nc1nc(CSCc2ccnc(-c3nnn[n-]3)c2)nc(Nc2ccccc2)n1 ZINC000826396090 607532965 /nfs/dbraw/zinc/53/29/65/607532965.db2.gz GQTLHHROEIUMDF-UHFFFAOYSA-N -1 1 392.452 2.206 20 0 GEADMM Nc1nc(CSCc2ccnc(-c3nn[n-]n3)c2)nc(Nc2ccccc2)n1 ZINC000826396090 607532967 /nfs/dbraw/zinc/53/29/67/607532967.db2.gz GQTLHHROEIUMDF-UHFFFAOYSA-N -1 1 392.452 2.206 20 0 GEADMM COCc1ccccc1CNC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739847626 601927309 /nfs/dbraw/zinc/92/73/09/601927309.db2.gz WDZWMJIAOLGESP-RBUKOAKNSA-N -1 1 389.496 2.446 20 0 GEADMM CC(C)CCc1nc(CS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000824249672 607534845 /nfs/dbraw/zinc/53/48/45/607534845.db2.gz RDFRXINHTOHVEJ-UHFFFAOYSA-N -1 1 392.510 2.422 20 0 GEADMM CC(C)CCc1nc(CS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000824249672 607534846 /nfs/dbraw/zinc/53/48/46/607534846.db2.gz RDFRXINHTOHVEJ-UHFFFAOYSA-N -1 1 392.510 2.422 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000739458747 601946416 /nfs/dbraw/zinc/94/64/16/601946416.db2.gz WTKADAXIGLVHTI-KSSFIOAISA-N -1 1 394.491 2.437 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCC1CCOCC1 ZINC000831369944 601966432 /nfs/dbraw/zinc/96/64/32/601966432.db2.gz LRHWPLBLJLVADT-CYBMUJFWSA-N -1 1 392.452 2.247 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167933 601969107 /nfs/dbraw/zinc/96/91/07/601969107.db2.gz LYPLRIOMONFOIB-KDOFPFPSSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167547 601969370 /nfs/dbraw/zinc/96/93/70/601969370.db2.gz IAMZKKJERWUDKY-KDOFPFPSSA-N -1 1 396.447 2.494 20 0 GEADMM Cc1c(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC000832855201 601969824 /nfs/dbraw/zinc/96/98/24/601969824.db2.gz NFAKJLLPMZUJTD-PBHICJAKSA-N -1 1 395.459 2.411 20 0 GEADMM O=S(=O)(Cc1cc(-c2ccccc2)no1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486873 607537208 /nfs/dbraw/zinc/53/72/08/607537208.db2.gz VILHXMBWXQFWHZ-UHFFFAOYSA-N -1 1 382.405 2.032 20 0 GEADMM O=S(=O)(Cc1cc(-c2ccccc2)no1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486873 607537210 /nfs/dbraw/zinc/53/72/10/607537210.db2.gz VILHXMBWXQFWHZ-UHFFFAOYSA-N -1 1 382.405 2.032 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398230727 601989324 /nfs/dbraw/zinc/98/93/24/601989324.db2.gz WOFJEEQTGHPZFJ-OCCSQVGLSA-N -1 1 380.491 2.388 20 0 GEADMM COCCN1CC[C@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000831745010 602005881 /nfs/dbraw/zinc/00/58/81/602005881.db2.gz OGSALTWAOMOZEZ-LBPRGKRZSA-N -1 1 375.347 2.246 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000827694342 602055585 /nfs/dbraw/zinc/05/55/85/602055585.db2.gz DQHZWLWVOOYPOQ-NWANDNLSSA-N -1 1 386.452 2.221 20 0 GEADMM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000833099871 602058410 /nfs/dbraw/zinc/05/84/10/602058410.db2.gz JWCOUAKDXPHLLE-ZWKOTPCHSA-N -1 1 388.512 2.134 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739946363 602061450 /nfs/dbraw/zinc/06/14/50/602061450.db2.gz SZHJLRDDEAQWIY-CRAIPNDOSA-N -1 1 392.500 2.329 20 0 GEADMM C[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738975906 602079981 /nfs/dbraw/zinc/07/99/81/602079981.db2.gz KJADNJPLHSDJNI-CVEARBPZSA-N -1 1 389.500 2.124 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737525671 602102358 /nfs/dbraw/zinc/10/23/58/602102358.db2.gz DZFRGLDIMCQESL-LJQANCHMSA-N -1 1 382.464 2.495 20 0 GEADMM CN1CCN(C[C@H](NC(=O)c2ccc(CNC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000739736614 602102965 /nfs/dbraw/zinc/10/29/65/602102965.db2.gz GTYQFVQRLHERKC-FQEVSTJZSA-N -1 1 396.491 2.173 20 0 GEADMM CN(C[C@H]1CCCN(C(=O)NC2CCN(Cc3ccncc3)CC2)C1)C(=O)[O-] ZINC000739641522 602103792 /nfs/dbraw/zinc/10/37/92/602103792.db2.gz LDDVNBJQNYSWNY-QGZVFWFLSA-N -1 1 389.500 2.077 20 0 GEADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832891079 602176076 /nfs/dbraw/zinc/17/60/76/602176076.db2.gz KCVZTGFQBVKFQF-AWEZNQCLSA-N -1 1 392.481 2.456 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])c2C1 ZINC000738896724 602227522 /nfs/dbraw/zinc/22/75/22/602227522.db2.gz PNZWXUNWVPWXEN-KGLIPLIRSA-N -1 1 390.484 2.148 20 0 GEADMM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1NC(N)=O ZINC000489613664 602322434 /nfs/dbraw/zinc/32/24/34/602322434.db2.gz VSZNOKZLCXSMTM-UHFFFAOYSA-N -1 1 399.812 2.338 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])N2CCCCC2)cc1 ZINC000739891335 602339813 /nfs/dbraw/zinc/33/98/13/602339813.db2.gz ACDLLDKHFNGSJZ-IAGOWNOFSA-N -1 1 393.509 2.391 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000739879532 602363822 /nfs/dbraw/zinc/36/38/22/602363822.db2.gz NMMJMVKKRUYKBW-INIZCTEOSA-N -1 1 381.392 2.105 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)[C@@H](NC(=O)[O-])c3ccccc3)n[nH]2)cc1 ZINC000739879532 602363825 /nfs/dbraw/zinc/36/38/25/602363825.db2.gz NMMJMVKKRUYKBW-INIZCTEOSA-N -1 1 381.392 2.105 20 0 GEADMM CN(CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1)C(=O)[O-] ZINC000739662013 602384213 /nfs/dbraw/zinc/38/42/13/602384213.db2.gz WBEKRPDMODYAOF-UHFFFAOYSA-N -1 1 384.480 2.374 20 0 GEADMM O=C([O-])NC1CCC(C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000740553790 602390555 /nfs/dbraw/zinc/39/05/55/602390555.db2.gz ZCIDEVCIAATXLS-UHFFFAOYSA-N -1 1 388.512 2.141 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739651458 602417047 /nfs/dbraw/zinc/41/70/47/602417047.db2.gz PVGQECZYDMGSMJ-KRWDZBQOSA-N -1 1 380.464 2.460 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000739029662 602447516 /nfs/dbraw/zinc/44/75/16/602447516.db2.gz WIWPMXXAEGHYQB-ZDUSSCGKSA-N -1 1 383.876 2.203 20 0 GEADMM O=C([O-])N[C@H](CCC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000740531870 602459839 /nfs/dbraw/zinc/45/98/39/602459839.db2.gz KIFZYYARTPSFLI-LJQANCHMSA-N -1 1 389.496 2.346 20 0 GEADMM COc1cccc([C@@H](CNC(=O)[C@@H]2CCCCN2C(=O)[O-])N2CCCC2)c1 ZINC000739945395 602492919 /nfs/dbraw/zinc/49/29/19/602492919.db2.gz KIOBANIIQPTMJT-ZWKOTPCHSA-N -1 1 375.469 2.481 20 0 GEADMM C[C@@H](NC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000737679560 602531440 /nfs/dbraw/zinc/53/14/40/602531440.db2.gz AZPHPXWHCYOXAI-KGLIPLIRSA-N -1 1 391.468 2.098 20 0 GEADMM COc1ccc([C@@H](NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C(C)C)cc1 ZINC000739894717 602533934 /nfs/dbraw/zinc/53/39/34/602533934.db2.gz QDVFPYKVDWIJEO-BEFAXECRSA-N -1 1 377.485 2.440 20 0 GEADMM CN(C[C@H]1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C1)C(=O)[O-] ZINC000739663247 602537601 /nfs/dbraw/zinc/53/76/01/602537601.db2.gz CKOOIOCMDKNBQT-CQSZACIVSA-N -1 1 389.477 2.280 20 0 GEADMM CCCN(C(=O)NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344154 602620194 /nfs/dbraw/zinc/62/01/94/602620194.db2.gz CYMHYGBTRMXULZ-GOSISDBHSA-N -1 1 389.500 2.220 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000824640394 607576738 /nfs/dbraw/zinc/57/67/38/607576738.db2.gz HPKGMNOPPDUPNU-SECBINFHSA-N -1 1 398.370 2.320 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)[O-])c2C1 ZINC000738766022 602644103 /nfs/dbraw/zinc/64/41/03/602644103.db2.gz KLTPDQXVLGFXKX-UONOGXRCSA-N -1 1 390.484 2.100 20 0 GEADMM CC[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825121523 607578590 /nfs/dbraw/zinc/57/85/90/607578590.db2.gz SIMJHQICOPSCBV-LBPRGKRZSA-N -1 1 375.429 2.478 20 0 GEADMM CC[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825121523 607578592 /nfs/dbraw/zinc/57/85/92/607578592.db2.gz SIMJHQICOPSCBV-LBPRGKRZSA-N -1 1 375.429 2.478 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000739923371 602652178 /nfs/dbraw/zinc/65/21/78/602652178.db2.gz HKGFOHNDFBCEEA-UHFFFAOYSA-N -1 1 378.362 2.256 20 0 GEADMM O=S(=O)(NCCc1ccccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491337 607579142 /nfs/dbraw/zinc/57/91/42/607579142.db2.gz DTHHELSKZXJSLV-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=S(=O)(NCCc1ccccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491337 607579143 /nfs/dbraw/zinc/57/91/43/607579143.db2.gz DTHHELSKZXJSLV-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM Cc1cccc(OCCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826299980 607580338 /nfs/dbraw/zinc/58/03/38/607580338.db2.gz CQJXCZCDQQHDES-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM Cc1cccc(OCCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826299980 607580340 /nfs/dbraw/zinc/58/03/40/607580340.db2.gz CQJXCZCDQQHDES-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826293436 607580486 /nfs/dbraw/zinc/58/04/86/607580486.db2.gz PDNMHONVKBKSMZ-UHFFFAOYSA-N -1 1 393.469 2.385 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)N(C)C)c1 ZINC000739945505 602692178 /nfs/dbraw/zinc/69/21/78/602692178.db2.gz LMAWYTMMCAMJJF-KBXCAEBGSA-N -1 1 392.500 2.376 20 0 GEADMM C[C@H]1CN(CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@H]1NC(=O)[O-] ZINC000739177866 602788396 /nfs/dbraw/zinc/78/83/96/602788396.db2.gz XAFRUAVLXXENHR-XJKSGUPXSA-N -1 1 383.876 2.155 20 0 GEADMM C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824937913 607588258 /nfs/dbraw/zinc/58/82/58/607588258.db2.gz RVSDEFGYNZPDHO-DGCLKSJQSA-N -1 1 399.904 2.394 20 0 GEADMM C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824937913 607588259 /nfs/dbraw/zinc/58/82/59/607588259.db2.gz RVSDEFGYNZPDHO-DGCLKSJQSA-N -1 1 399.904 2.394 20 0 GEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)ccc1F ZINC000739610287 602841340 /nfs/dbraw/zinc/84/13/40/602841340.db2.gz QCQOIQGTFRIXKL-HNNXBMFYSA-N -1 1 380.464 2.419 20 0 GEADMM COCc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826164974 607590280 /nfs/dbraw/zinc/59/02/80/607590280.db2.gz ZDRFSUIRBPMDCN-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM COCc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826164974 607590281 /nfs/dbraw/zinc/59/02/81/607590281.db2.gz ZDRFSUIRBPMDCN-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM O=C([O-])NC[C@@H](C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000832408441 602867192 /nfs/dbraw/zinc/86/71/92/602867192.db2.gz ROCCQEPRSJCQHQ-OAHLLOKOSA-N -1 1 383.383 2.278 20 0 GEADMM O=C([O-])NC[C@@H](C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000832408441 602867194 /nfs/dbraw/zinc/86/71/94/602867194.db2.gz ROCCQEPRSJCQHQ-OAHLLOKOSA-N -1 1 383.383 2.278 20 0 GEADMM CN1CCN(c2ccccc2NC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739736673 602880720 /nfs/dbraw/zinc/88/07/20/602880720.db2.gz OHQYABCAQJXOKH-HNNXBMFYSA-N -1 1 375.473 2.092 20 0 GEADMM COc1cccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826214380 607594312 /nfs/dbraw/zinc/59/43/12/607594312.db2.gz JYFQBXFKRLDGCL-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM COc1cccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826214380 607594314 /nfs/dbraw/zinc/59/43/14/607594314.db2.gz JYFQBXFKRLDGCL-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM C[C@H](Cc1ccccc1F)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824457295 607595060 /nfs/dbraw/zinc/59/50/60/607595060.db2.gz JETYJOWTTSHPNY-SNVBAGLBSA-N -1 1 379.392 2.054 20 0 GEADMM C[C@H](Cc1ccccc1F)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824457295 607595062 /nfs/dbraw/zinc/59/50/62/607595062.db2.gz JETYJOWTTSHPNY-SNVBAGLBSA-N -1 1 379.392 2.054 20 0 GEADMM COc1cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1C ZINC000826179217 607595899 /nfs/dbraw/zinc/59/58/99/607595899.db2.gz DXJRTLWGDVDYAS-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM CC[C@@H]1CN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)CCN1CCOC ZINC000826675381 602957585 /nfs/dbraw/zinc/95/75/85/602957585.db2.gz JQSARNXQVQKBCB-NXHRZFHOSA-N -1 1 377.485 2.201 20 0 GEADMM CC[C@@H]1CN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)CCN1CCOC ZINC000826675380 602957744 /nfs/dbraw/zinc/95/77/44/602957744.db2.gz JQSARNXQVQKBCB-KBAYOESNSA-N -1 1 377.485 2.201 20 0 GEADMM COc1ccc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c(C)nc2c1 ZINC000826213080 607597872 /nfs/dbraw/zinc/59/78/72/607597872.db2.gz KPCAMPILRUQLOC-UHFFFAOYSA-N -1 1 376.376 2.484 20 0 GEADMM COc1ccc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c(C)nc2c1 ZINC000826213080 607597873 /nfs/dbraw/zinc/59/78/73/607597873.db2.gz KPCAMPILRUQLOC-UHFFFAOYSA-N -1 1 376.376 2.484 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1 ZINC000739906814 603017095 /nfs/dbraw/zinc/01/70/95/603017095.db2.gz NREYDCKTBQSFIB-QZTJIDSGSA-N -1 1 375.469 2.166 20 0 GEADMM CN(C(=O)[O-])c1ccc(OC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000827907744 603039631 /nfs/dbraw/zinc/03/96/31/603039631.db2.gz CCHVMOYOAFMSQL-UHFFFAOYSA-N -1 1 382.376 2.403 20 0 GEADMM O=C1CCCc2cc(OS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)ccc21 ZINC000826480462 607603413 /nfs/dbraw/zinc/60/34/13/607603413.db2.gz CIOHLNFXXQXFEA-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM O=C1CCCc2cc(OS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)ccc21 ZINC000826480462 607603415 /nfs/dbraw/zinc/60/34/15/607603415.db2.gz CIOHLNFXXQXFEA-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM COCc1nc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cs1 ZINC000739846462 603055940 /nfs/dbraw/zinc/05/59/40/603055940.db2.gz OLEODAAHTYNREY-UHFFFAOYSA-N -1 1 388.409 2.095 20 0 GEADMM COCc1nc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cs1 ZINC000739846462 603055944 /nfs/dbraw/zinc/05/59/44/603055944.db2.gz OLEODAAHTYNREY-UHFFFAOYSA-N -1 1 388.409 2.095 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)n1 ZINC000740681752 603057821 /nfs/dbraw/zinc/05/78/21/603057821.db2.gz SLEAZMPWPLSCRY-UHFFFAOYSA-N -1 1 389.375 2.435 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)n[nH]1 ZINC000740681752 603057825 /nfs/dbraw/zinc/05/78/25/603057825.db2.gz SLEAZMPWPLSCRY-UHFFFAOYSA-N -1 1 389.375 2.435 20 0 GEADMM O=C([O-])NCc1nc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cs1 ZINC000832735107 603068483 /nfs/dbraw/zinc/06/84/83/603068483.db2.gz VLSNWQOOFUKQFF-UHFFFAOYSA-N -1 1 375.410 2.083 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824104216 607604791 /nfs/dbraw/zinc/60/47/91/607604791.db2.gz PHGNOOCECRMKJE-AWEZNQCLSA-N -1 1 388.428 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824104216 607604792 /nfs/dbraw/zinc/60/47/92/607604792.db2.gz PHGNOOCECRMKJE-AWEZNQCLSA-N -1 1 388.428 2.095 20 0 GEADMM COC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826152426 607605062 /nfs/dbraw/zinc/60/50/62/607605062.db2.gz YUDCNFMDDFETNA-AWEZNQCLSA-N -1 1 393.856 2.186 20 0 GEADMM CN1CCN(c2ccc(NC(=O)[C@@H](CNC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000739737344 603080223 /nfs/dbraw/zinc/08/02/23/603080223.db2.gz XQEDSJUDGJSWKR-IBGZPJMESA-N -1 1 382.464 2.428 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824104219 607605452 /nfs/dbraw/zinc/60/54/52/607605452.db2.gz PHGNOOCECRMKJE-CQSZACIVSA-N -1 1 388.428 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824104219 607605454 /nfs/dbraw/zinc/60/54/54/607605454.db2.gz PHGNOOCECRMKJE-CQSZACIVSA-N -1 1 388.428 2.095 20 0 GEADMM CCC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000825241929 607608197 /nfs/dbraw/zinc/60/81/97/607608197.db2.gz DSGKCLLMVCRJRN-AWEZNQCLSA-N -1 1 376.417 2.221 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1F ZINC000824029278 607609310 /nfs/dbraw/zinc/60/93/10/607609310.db2.gz INYKXDXHVRKIDQ-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CN(CCNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739692873 603139436 /nfs/dbraw/zinc/13/94/36/603139436.db2.gz BPYXRLUZCBJQHS-CQSZACIVSA-N -1 1 388.390 2.189 20 0 GEADMM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000740530134 603182447 /nfs/dbraw/zinc/18/24/47/603182447.db2.gz SIMWXOPFQBRYAS-UHFFFAOYSA-N -1 1 390.417 2.295 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826467274 607614594 /nfs/dbraw/zinc/61/45/94/607614594.db2.gz OVHPKBSFFWQKBC-CYBMUJFWSA-N -1 1 380.191 2.345 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826467274 607614596 /nfs/dbraw/zinc/61/45/96/607614596.db2.gz OVHPKBSFFWQKBC-CYBMUJFWSA-N -1 1 380.191 2.345 20 0 GEADMM CC1(C)C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824795899 607614933 /nfs/dbraw/zinc/61/49/33/607614933.db2.gz IAOOXTKJJZGWLP-VIFPVBQESA-N -1 1 375.376 2.210 20 0 GEADMM CC(C)n1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000824641583 607614973 /nfs/dbraw/zinc/61/49/73/607614973.db2.gz XCDOTVWCOIDXPL-JTQLQIEISA-N -1 1 395.876 2.337 20 0 GEADMM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000738805077 603226966 /nfs/dbraw/zinc/22/69/66/603226966.db2.gz JCAYMYKZFMLHHL-SFHVURJKSA-N -1 1 392.481 2.024 20 0 GEADMM COC1(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CCN(C(=O)[O-])CC1 ZINC000828849650 603230373 /nfs/dbraw/zinc/23/03/73/603230373.db2.gz UZUQWHAHILRXCC-QGZVFWFLSA-N -1 1 389.496 2.268 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C(C)(C)CO1 ZINC000824807943 607616068 /nfs/dbraw/zinc/61/60/68/607616068.db2.gz NPZRBBIENCKHMD-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)[O-])cs1 ZINC000828761110 603241528 /nfs/dbraw/zinc/24/15/28/603241528.db2.gz OHFBTTUZTXWBSD-UHFFFAOYSA-N -1 1 384.435 2.445 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488504 607617404 /nfs/dbraw/zinc/61/74/04/607617404.db2.gz RJYLXVJPIPSUBD-PELKAZGASA-N -1 1 395.366 2.118 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488504 607617406 /nfs/dbraw/zinc/61/74/06/607617406.db2.gz RJYLXVJPIPSUBD-PELKAZGASA-N -1 1 395.366 2.118 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739962090 603283315 /nfs/dbraw/zinc/28/33/15/603283315.db2.gz UOVWITLQVZIAAU-NVXWUHKLSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])N1CC[C@@H](C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)C1 ZINC000740476460 603292758 /nfs/dbraw/zinc/29/27/58/603292758.db2.gz PCDVGODEKUJTFF-CYBMUJFWSA-N -1 1 389.433 2.426 20 0 GEADMM CC1=C(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000824851994 607620772 /nfs/dbraw/zinc/62/07/72/607620772.db2.gz HGRUXLVYYGLRRF-UHFFFAOYSA-N -1 1 395.423 2.264 20 0 GEADMM O=C([O-])N1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000740400647 603314659 /nfs/dbraw/zinc/31/46/59/603314659.db2.gz QVESZDCAMFEQKE-DZGCQCFKSA-N -1 1 385.386 2.396 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1)C(=O)[O-] ZINC000739443116 603346158 /nfs/dbraw/zinc/34/61/58/603346158.db2.gz OKZXLJJRRHYJKM-ZWKOTPCHSA-N -1 1 390.484 2.249 20 0 GEADMM O=C([O-])NC[C@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000832401711 603358755 /nfs/dbraw/zinc/35/87/55/603358755.db2.gz BSQUXBKVOUUJMQ-IBGZPJMESA-N -1 1 382.464 2.214 20 0 GEADMM CN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825980948 607624478 /nfs/dbraw/zinc/62/44/78/607624478.db2.gz MRBFNLXHHZIYDO-UHFFFAOYSA-N -1 1 379.829 2.046 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000737361931 603397333 /nfs/dbraw/zinc/39/73/33/603397333.db2.gz SAGJTDDNVPZNFZ-INIZCTEOSA-N -1 1 388.399 2.273 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cs1 ZINC000828761201 603398715 /nfs/dbraw/zinc/39/87/15/603398715.db2.gz PVWGPAWCRSBHFF-UHFFFAOYSA-N -1 1 382.419 2.376 20 0 GEADMM C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824457190 607627570 /nfs/dbraw/zinc/62/75/70/607627570.db2.gz GZTKPYRGVVPENY-SNVBAGLBSA-N -1 1 393.856 2.135 20 0 GEADMM C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824457190 607627573 /nfs/dbraw/zinc/62/75/73/607627573.db2.gz GZTKPYRGVVPENY-SNVBAGLBSA-N -1 1 393.856 2.135 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000824641009 607629702 /nfs/dbraw/zinc/62/97/02/607629702.db2.gz QZRYKCLGKFRFAB-VIFPVBQESA-N -1 1 379.829 2.265 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824641009 607629703 /nfs/dbraw/zinc/62/97/03/607629703.db2.gz QZRYKCLGKFRFAB-VIFPVBQESA-N -1 1 379.829 2.265 20 0 GEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000831552228 603482095 /nfs/dbraw/zinc/48/20/95/603482095.db2.gz FAUQDJBJVJNHFR-NXEZZACHSA-N -1 1 388.540 2.300 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000831552230 603482226 /nfs/dbraw/zinc/48/22/26/603482226.db2.gz FAUQDJBJVJNHFR-UWVGGRQHSA-N -1 1 388.540 2.300 20 0 GEADMM O=S(=O)(N[C@H](CCO)C1CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487083 607633761 /nfs/dbraw/zinc/63/37/61/607633761.db2.gz CMHNDBPSHYCGAU-CYBMUJFWSA-N -1 1 399.904 2.130 20 0 GEADMM O=S(=O)(N[C@H](CCO)C1CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487083 607633763 /nfs/dbraw/zinc/63/37/63/607633763.db2.gz CMHNDBPSHYCGAU-CYBMUJFWSA-N -1 1 399.904 2.130 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000832323779 603528151 /nfs/dbraw/zinc/52/81/51/603528151.db2.gz GICIDURSQAHBDF-DLBZAZTESA-N -1 1 381.517 2.212 20 0 GEADMM CC(=O)c1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n(C)c1 ZINC000823628493 603540364 /nfs/dbraw/zinc/54/03/64/603540364.db2.gz RXYLTMDECAVVNC-UHFFFAOYSA-N -1 1 382.380 2.033 20 0 GEADMM CC(=O)c1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n(C)c1 ZINC000823628493 603540370 /nfs/dbraw/zinc/54/03/70/603540370.db2.gz RXYLTMDECAVVNC-UHFFFAOYSA-N -1 1 382.380 2.033 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCN(C(=O)[O-])CC3(C)C)n[nH]2)cc1OC ZINC000829234533 603547563 /nfs/dbraw/zinc/54/75/63/603547563.db2.gz OWCROKNYCVTTNL-UHFFFAOYSA-N -1 1 388.424 2.308 20 0 GEADMM COc1cccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000829558608 603552090 /nfs/dbraw/zinc/55/20/90/603552090.db2.gz BUOZJKLCNOKUJP-QZTJIDSGSA-N -1 1 375.469 2.308 20 0 GEADMM CCCC(O)(CCC)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825247111 607639574 /nfs/dbraw/zinc/63/95/74/607639574.db2.gz ARZGFOYWLLETPL-UHFFFAOYSA-N -1 1 387.893 2.130 20 0 GEADMM CCCC(O)(CCC)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825247111 607639575 /nfs/dbraw/zinc/63/95/75/607639575.db2.gz ARZGFOYWLLETPL-UHFFFAOYSA-N -1 1 387.893 2.130 20 0 GEADMM CC[C@](C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nccs1 ZINC000825045282 607639797 /nfs/dbraw/zinc/63/97/97/607639797.db2.gz YZROZFZBAGTSJJ-AWEZNQCLSA-N -1 1 382.446 2.066 20 0 GEADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000824197124 603619142 /nfs/dbraw/zinc/61/91/42/603619142.db2.gz SCSJDXOUUOVKNM-QGZVFWFLSA-N -1 1 377.489 2.028 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823711453 603624253 /nfs/dbraw/zinc/62/42/53/603624253.db2.gz CJJVEXAQVBPIDK-CQSZACIVSA-N -1 1 390.484 2.366 20 0 GEADMM NC(=O)[C@H](N[C@H]1CCC[C@H]1CNC(=O)[O-])c1ccc(Br)cc1F ZINC000831167883 603650799 /nfs/dbraw/zinc/65/07/99/603650799.db2.gz SCUWKHRZLKTNIB-AQUOVQTQSA-N -1 1 388.237 2.141 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccncc1 ZINC000825149160 607645151 /nfs/dbraw/zinc/64/51/51/607645151.db2.gz VSGTZRXYARZRBS-CYBMUJFWSA-N -1 1 378.845 2.345 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488048 607647456 /nfs/dbraw/zinc/64/74/56/607647456.db2.gz HGDUUFFDVWHWLV-OCCSQVGLSA-N -1 1 389.868 2.430 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488048 607647458 /nfs/dbraw/zinc/64/74/58/607647458.db2.gz HGDUUFFDVWHWLV-OCCSQVGLSA-N -1 1 389.868 2.430 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262593 603742887 /nfs/dbraw/zinc/74/28/87/603742887.db2.gz UUHHBHLCAUMTGI-PMPSAXMXSA-N -1 1 378.473 2.460 20 0 GEADMM CN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCC(NC(=O)[O-])CC1 ZINC000828359747 603783847 /nfs/dbraw/zinc/78/38/47/603783847.db2.gz FAAMJCKCFAPUNO-UHFFFAOYSA-N -1 1 385.486 2.075 20 0 GEADMM Cc1ccc(O[C@@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826292154 607650970 /nfs/dbraw/zinc/65/09/70/607650970.db2.gz KHOSRNTXUBOJNK-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000832349996 603841109 /nfs/dbraw/zinc/84/11/09/603841109.db2.gz LTATWAOSWJWNBA-QZTJIDSGSA-N -1 1 381.517 2.164 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H]1c1cccc(F)c1 ZINC000826496331 607655884 /nfs/dbraw/zinc/65/58/84/607655884.db2.gz SNBDSUMOUQAQMM-ZDUSSCGKSA-N -1 1 377.376 2.281 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H]1c1cccc(F)c1 ZINC000826496331 607655886 /nfs/dbraw/zinc/65/58/86/607655886.db2.gz SNBDSUMOUQAQMM-ZDUSSCGKSA-N -1 1 377.376 2.281 20 0 GEADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCCC2 ZINC000825581837 607656094 /nfs/dbraw/zinc/65/60/94/607656094.db2.gz DYGSYGCAAOVLDI-CABCVRRESA-N -1 1 395.460 2.022 20 0 GEADMM COc1ccnc(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CC2)c1 ZINC000829650177 603882853 /nfs/dbraw/zinc/88/28/53/603882853.db2.gz PEVHZKNNCPXAMJ-MQVJKMGUSA-N -1 1 388.468 2.050 20 0 GEADMM COc1cccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])N(C)C)c1 ZINC000829544448 603890277 /nfs/dbraw/zinc/89/02/77/603890277.db2.gz VYJNKMJSBJOZGO-MMNRESRNSA-N -1 1 390.484 2.271 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1F ZINC000829355315 603983766 /nfs/dbraw/zinc/98/37/66/603983766.db2.gz ANFAQGSMTVSJNF-BMFZPTHFSA-N -1 1 393.459 2.398 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000825220264 604037079 /nfs/dbraw/zinc/03/70/79/604037079.db2.gz SBNJNQHIERZZOG-ARFHVFGLSA-N -1 1 378.473 2.494 20 0 GEADMM O=S(=O)(NCCC1CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490713 607670350 /nfs/dbraw/zinc/67/03/50/607670350.db2.gz DWIUXWRQBLWPTP-UHFFFAOYSA-N -1 1 375.376 2.354 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)CC3(NC(=O)[O-])CCC3)cc2)C[C@H](C)O1 ZINC000826059618 604090990 /nfs/dbraw/zinc/09/09/90/604090990.db2.gz XQSJNMPJJPGNCX-HOTGVXAUSA-N -1 1 389.496 2.492 20 0 GEADMM C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823669097 604100823 /nfs/dbraw/zinc/10/08/23/604100823.db2.gz LCOUVMBWBIFDOH-INIZCTEOSA-N -1 1 389.496 2.493 20 0 GEADMM COCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000826155134 607671740 /nfs/dbraw/zinc/67/17/40/607671740.db2.gz HNERFBQBYWMQNP-UHFFFAOYSA-N -1 1 385.877 2.005 20 0 GEADMM COCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000826155134 607671742 /nfs/dbraw/zinc/67/17/42/607671742.db2.gz HNERFBQBYWMQNP-UHFFFAOYSA-N -1 1 385.877 2.005 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)N(C)C)c1 ZINC000829545125 604108557 /nfs/dbraw/zinc/10/85/57/604108557.db2.gz ZQXBSKAEDMJRBB-KYJSFNMBSA-N -1 1 392.500 2.376 20 0 GEADMM O=C([O-])NCCCOC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000832629073 604108624 /nfs/dbraw/zinc/10/86/24/604108624.db2.gz ACFGTDUSIKCQRL-SFHVURJKSA-N -1 1 375.469 2.321 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NCc1n[nH]c(-c3ccc(F)cc3)n1)C2 ZINC000831731527 604146258 /nfs/dbraw/zinc/14/62/58/604146258.db2.gz YXZKBVWXSUZJGO-AGUYFDCRSA-N -1 1 388.403 2.083 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NCc1nc(-c3ccc(F)cc3)n[nH]1)C2 ZINC000831731527 604146260 /nfs/dbraw/zinc/14/62/60/604146260.db2.gz YXZKBVWXSUZJGO-AGUYFDCRSA-N -1 1 388.403 2.083 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1F ZINC000829356487 604180426 /nfs/dbraw/zinc/18/04/26/604180426.db2.gz KJGSQGXWTNIUJD-DZGCQCFKSA-N -1 1 381.448 2.161 20 0 GEADMM O=S(=O)(NCc1ccc2c(c1)COC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491952 607677641 /nfs/dbraw/zinc/67/76/41/607677641.db2.gz LOMCMCABINCHEA-UHFFFAOYSA-N -1 1 391.840 2.029 20 0 GEADMM O=S(=O)(NCc1ccc2c(c1)COC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491952 607677643 /nfs/dbraw/zinc/67/76/43/607677643.db2.gz LOMCMCABINCHEA-UHFFFAOYSA-N -1 1 391.840 2.029 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)C1 ZINC000825244594 604297383 /nfs/dbraw/zinc/29/73/83/604297383.db2.gz KGGZSHPHYASCSL-MWLCHTKSSA-N -1 1 376.438 2.132 20 0 GEADMM O=C([O-])c1csc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000833133384 604472173 /nfs/dbraw/zinc/47/21/73/604472173.db2.gz JVAODASFWSUBAF-HNNXBMFYSA-N -1 1 387.461 2.338 20 0 GEADMM O=C([O-])c1csc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000833150786 604483887 /nfs/dbraw/zinc/48/38/87/604483887.db2.gz JXNFVTWIRFVQNW-HOCLYGCPSA-N -1 1 389.477 2.451 20 0 GEADMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833420751 604500767 /nfs/dbraw/zinc/50/07/67/604500767.db2.gz ONRHJBLXFQWOGP-NSHDSACASA-N -1 1 376.438 2.147 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828170352 604551860 /nfs/dbraw/zinc/55/18/60/604551860.db2.gz YTNPYAKWGVSSQS-SWLSCSKDSA-N -1 1 387.461 2.164 20 0 GEADMM CC[C@H]1CN(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)CCN1CCOC ZINC000826681499 604611819 /nfs/dbraw/zinc/61/18/19/604611819.db2.gz GHKSJKJLLWUREW-QAPCUYQASA-N -1 1 392.500 2.267 20 0 GEADMM CC(C)N(C(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C(C)C ZINC000833495772 604617272 /nfs/dbraw/zinc/61/72/72/604617272.db2.gz UOEGOIKRDPSWSB-OAQYLSRUSA-N -1 1 375.513 2.341 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]1Cn1c(C)nc2ccccc21)C(=O)[O-] ZINC000833639222 604618303 /nfs/dbraw/zinc/61/83/03/604618303.db2.gz NFDKQEZLMXPUTB-NBQZKYEYSA-N -1 1 386.496 2.425 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-n3ccnn3)c2)c1 ZINC000767749506 604633826 /nfs/dbraw/zinc/63/38/26/604633826.db2.gz WWINJGAALNAVHK-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3CC(=O)[O-])c2C1 ZINC000826681377 604655068 /nfs/dbraw/zinc/65/50/68/604655068.db2.gz PGFKJISQISRYMH-HOCLYGCPSA-N -1 1 387.480 2.451 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H](CNC(=O)[O-])C3)n2)cc1 ZINC000830159912 604757374 /nfs/dbraw/zinc/75/73/74/604757374.db2.gz KRUINQGMFFDQHR-CYBMUJFWSA-N -1 1 389.481 2.378 20 0 GEADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccccc1OC(F)(F)F ZINC000825484461 604769773 /nfs/dbraw/zinc/76/97/73/604769773.db2.gz IAFONWCRUUFIJH-NSHDSACASA-N -1 1 375.347 2.058 20 0 GEADMM CC(=O)c1ccccc1OCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000824029180 607716825 /nfs/dbraw/zinc/71/68/25/607716825.db2.gz GXRYGXOWLHUOLD-UHFFFAOYSA-N -1 1 390.403 2.167 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1ccc(F)c(F)c1 ZINC000826294734 607717839 /nfs/dbraw/zinc/71/78/39/607717839.db2.gz AGLSXFOALCLVIF-UHFFFAOYSA-N -1 1 382.330 2.046 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H]3CCCN3C(=O)[O-])n2)cc1 ZINC000830160223 604849916 /nfs/dbraw/zinc/84/99/16/604849916.db2.gz NSYRZVPSYQUVBT-CYBMUJFWSA-N -1 1 375.454 2.131 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000833416827 604856772 /nfs/dbraw/zinc/85/67/72/604856772.db2.gz GKODNPQXXRJOOG-ABAIWWIYSA-N -1 1 380.391 2.420 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N[C@@H](C)CCCC(C)C ZINC000826295067 607719215 /nfs/dbraw/zinc/71/92/15/607719215.db2.gz PMQUCPTXJCECAG-ZDUSSCGKSA-N -1 1 397.483 2.216 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000833767967 604899735 /nfs/dbraw/zinc/89/97/35/604899735.db2.gz VSVOEBDNBLMWQK-RDBSUJKOSA-N -1 1 378.226 2.088 20 0 GEADMM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000833102690 604918035 /nfs/dbraw/zinc/91/80/35/604918035.db2.gz VFDHVSLIUQDVRY-NHCUHLMSSA-N -1 1 396.487 2.317 20 0 GEADMM O=C([O-])Nc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000833290825 604918188 /nfs/dbraw/zinc/91/81/88/604918188.db2.gz SZCJXHJEVOBPAN-HKUYNNGSSA-N -1 1 383.448 2.389 20 0 GEADMM CC(C)N(CCN(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000833498512 604931540 /nfs/dbraw/zinc/93/15/40/604931540.db2.gz SIFFPRCAVYBUKM-UHFFFAOYSA-N -1 1 393.303 2.108 20 0 GEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000833551839 604933196 /nfs/dbraw/zinc/93/31/96/604933196.db2.gz WUOOHWSPKLXQNQ-WMLDXEAASA-N -1 1 375.473 2.049 20 0 GEADMM C[C@H](NC(=O)[O-])C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000833739425 604945890 /nfs/dbraw/zinc/94/58/90/604945890.db2.gz CEPCVNLVASCAQC-KRWDZBQOSA-N -1 1 396.491 2.281 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](CNC(=O)[O-])C3CC3)n2)cc1 ZINC000830159359 604951593 /nfs/dbraw/zinc/95/15/93/604951593.db2.gz FRZZFRNEHAPNOI-ZDUSSCGKSA-N -1 1 375.454 2.035 20 0 GEADMM CC(C)COC[C@H](O)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000826900939 604961385 /nfs/dbraw/zinc/96/13/85/604961385.db2.gz YJHPQIHREGBZCK-MSOLQXFVSA-N -1 1 384.904 2.117 20 0 GEADMM CC(C)COC[C@@H](O)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000826900941 604961391 /nfs/dbraw/zinc/96/13/91/604961391.db2.gz YJHPQIHREGBZCK-ROUUACIJSA-N -1 1 384.904 2.117 20 0 GEADMM C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000828115840 604980520 /nfs/dbraw/zinc/98/05/20/604980520.db2.gz KFHARIYNICHNLE-GUYCJALGSA-N -1 1 399.369 2.369 20 0 GEADMM O=C([O-])[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1 ZINC000833170136 604988454 /nfs/dbraw/zinc/98/84/54/604988454.db2.gz POZOZZJIWZYVJJ-GOSISDBHSA-N -1 1 389.477 2.172 20 0 GEADMM CCc1nc([C@H](C)NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n[nH]1 ZINC000833674567 605005026 /nfs/dbraw/zinc/00/50/26/605005026.db2.gz TZPQJVODWZKPIS-QMMMGPOBSA-N -1 1 380.451 2.320 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CCN1C ZINC000833597738 605040166 /nfs/dbraw/zinc/04/01/66/605040166.db2.gz MASFOBUEBFWJAJ-KOLCDFICSA-N -1 1 380.388 2.165 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CN1C1CC1 ZINC000833598960 605046186 /nfs/dbraw/zinc/04/61/86/605046186.db2.gz TYHYUYRZMWRJMH-ONGXEEELSA-N -1 1 392.399 2.307 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000833619077 605047036 /nfs/dbraw/zinc/04/70/36/605047036.db2.gz AVHLKWTXTRTCAT-MFKMUULPSA-N -1 1 380.491 2.361 20 0 GEADMM CCOC(=O)CC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000825506135 607731000 /nfs/dbraw/zinc/73/10/00/607731000.db2.gz FSBKMMVOXNJLHB-ZDUSSCGKSA-N -1 1 381.440 2.370 20 0 GEADMM CCOC(=O)CC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000825506135 607731002 /nfs/dbraw/zinc/73/10/02/607731002.db2.gz FSBKMMVOXNJLHB-ZDUSSCGKSA-N -1 1 381.440 2.370 20 0 GEADMM C[C@H]1CCCC[N@H+]1Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000833615213 605051769 /nfs/dbraw/zinc/05/17/69/605051769.db2.gz KOOGPKYLCUAUKU-AWEZNQCLSA-N -1 1 392.481 2.143 20 0 GEADMM CC1(C)OCC(C)(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000833562088 605090522 /nfs/dbraw/zinc/09/05/22/605090522.db2.gz GZRQPTJDFIOOKE-NRFANRHFSA-N -1 1 390.480 2.011 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000833623777 605096540 /nfs/dbraw/zinc/09/65/40/605096540.db2.gz GFTDPRDDAXFROO-ZDUSSCGKSA-N -1 1 393.871 2.088 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000833619553 605107940 /nfs/dbraw/zinc/10/79/40/605107940.db2.gz JAMPTTLMDRISAB-BZUAXINKSA-N -1 1 397.516 2.077 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833539114 605108304 /nfs/dbraw/zinc/10/83/04/605108304.db2.gz KRQQTSWAOBHKKI-OLZOCXBDSA-N -1 1 399.285 2.224 20 0 GEADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)c1)C(=O)[O-] ZINC000827167909 605122527 /nfs/dbraw/zinc/12/25/27/605122527.db2.gz QRPGFYTWCPFALB-OAHLLOKOSA-N -1 1 385.424 2.042 20 0 GEADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825205696 607735987 /nfs/dbraw/zinc/73/59/87/607735987.db2.gz WZAGWJIMCKNSPP-MFKMUULPSA-N -1 1 375.864 2.364 20 0 GEADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825205696 607735988 /nfs/dbraw/zinc/73/59/88/607735988.db2.gz WZAGWJIMCKNSPP-MFKMUULPSA-N -1 1 375.864 2.364 20 0 GEADMM COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(C)c(C(=O)[O-])s3)cc2)CC1 ZINC000833701851 605135651 /nfs/dbraw/zinc/13/56/51/605135651.db2.gz KGGSAKYAXJWHFF-UHFFFAOYSA-N -1 1 396.446 2.155 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000833622476 605158770 /nfs/dbraw/zinc/15/87/70/605158770.db2.gz BJNGWIHNUQUIHI-INIZCTEOSA-N -1 1 383.448 2.282 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000833620018 605164237 /nfs/dbraw/zinc/16/42/37/605164237.db2.gz JSXULHAVNYTUOH-OAHLLOKOSA-N -1 1 397.516 2.079 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](c1c(F)cccc1Cl)N(C)C ZINC000833622514 605164746 /nfs/dbraw/zinc/16/47/46/605164746.db2.gz PWGADMZXYUJSCV-YVEFUNNKSA-N -1 1 385.867 2.089 20 0 GEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])C[C@@H]1C ZINC000833655902 605165133 /nfs/dbraw/zinc/16/51/33/605165133.db2.gz HFAFIXZYKCPSDC-LSDHHAIUSA-N -1 1 390.484 2.168 20 0 GEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n[nH]1 ZINC000833513037 605196704 /nfs/dbraw/zinc/19/67/04/605196704.db2.gz ZCQGBHNIFCLVSU-JTQLQIEISA-N -1 1 389.437 2.214 20 0 GEADMM CC1=C(C(=O)[O-])C[C@H](CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)O1 ZINC000833581076 605237186 /nfs/dbraw/zinc/23/71/86/605237186.db2.gz KVKJVWMBWONNDW-GFCCVEGCSA-N -1 1 398.448 2.289 20 0 GEADMM CC(C)N1C(=O)N[C@@]2(CCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)C1=O ZINC000833499432 605266181 /nfs/dbraw/zinc/26/61/81/605266181.db2.gz GOIOEDKJCOKUSM-CXAGYDPISA-N -1 1 399.369 2.236 20 0 GEADMM O=C([O-])N1CC[C@@H](CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000834029489 605361217 /nfs/dbraw/zinc/36/12/17/605361217.db2.gz SRZOGLVGHZLOMZ-HNNXBMFYSA-N -1 1 378.448 2.089 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=C1CCC(C)(C)CC1 ZINC000824999767 607750537 /nfs/dbraw/zinc/75/05/37/607750537.db2.gz JKJFCHZBMFHTII-CQSZACIVSA-N -1 1 396.499 2.220 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=C1CCC(C)(C)CC1 ZINC000824999767 607750538 /nfs/dbraw/zinc/75/05/38/607750538.db2.gz JKJFCHZBMFHTII-CQSZACIVSA-N -1 1 396.499 2.220 20 0 GEADMM COc1cccc([C@H](CNC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)N(C)C)c1 ZINC000829543478 605372489 /nfs/dbraw/zinc/37/24/89/605372489.db2.gz LEYJEVAANVQXJF-AEFFLSMTSA-N -1 1 390.484 2.224 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826472251 607752391 /nfs/dbraw/zinc/75/23/91/607752391.db2.gz DMXWVFATSVDBMN-HOCLYGCPSA-N -1 1 382.424 2.363 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826472251 607752392 /nfs/dbraw/zinc/75/23/92/607752392.db2.gz DMXWVFATSVDBMN-HOCLYGCPSA-N -1 1 382.424 2.363 20 0 GEADMM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCO3)OCO2 ZINC000834257002 605410710 /nfs/dbraw/zinc/41/07/10/605410710.db2.gz QERBUWRBZSUCSB-UHFFFAOYSA-N -1 1 380.334 2.035 20 0 GEADMM O=C([O-])Nc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cn1 ZINC000834262410 605410868 /nfs/dbraw/zinc/41/08/68/605410868.db2.gz PNVCLYBZKIWXRA-UHFFFAOYSA-N -1 1 392.315 2.308 20 0 GEADMM CC(=O)NC1CCC(N(C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC1 ZINC000833395112 605430677 /nfs/dbraw/zinc/43/06/77/605430677.db2.gz BRSCNGJULIGNQV-UHFFFAOYSA-N -1 1 381.498 2.381 20 0 GEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000834128279 605443563 /nfs/dbraw/zinc/44/35/63/605443563.db2.gz AXDRLDIXFQNAEC-VXGBXAGGSA-N -1 1 379.367 2.427 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)CC1 ZINC000827229143 605473080 /nfs/dbraw/zinc/47/30/80/605473080.db2.gz VJLCWPBEIBZABZ-CVEARBPZSA-N -1 1 389.500 2.481 20 0 GEADMM Cn1cc(CN2CCC[C@H](NC(=O)[O-])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000833949456 605485758 /nfs/dbraw/zinc/48/57/58/605485758.db2.gz QPZVBSMEXVALPK-INIZCTEOSA-N -1 1 386.452 2.480 20 0 GEADMM O=C([O-])N1CCC[C@H]1C1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000834106369 605496461 /nfs/dbraw/zinc/49/64/61/605496461.db2.gz JEMIMNWGUVMKOH-INIZCTEOSA-N -1 1 380.514 2.334 20 0 GEADMM Cc1cc(CNC(=O)N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000833745892 605508194 /nfs/dbraw/zinc/50/81/94/605508194.db2.gz XKHKIPASFHFEGC-MRXNPFEDSA-N -1 1 391.859 2.025 20 0 GEADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=N)NOCc1ccc(C(=O)[O-])cc1F ZINC000833441919 605561048 /nfs/dbraw/zinc/56/10/48/605561048.db2.gz QBJGFNLXZGNVJK-CQSZACIVSA-N -1 1 397.403 2.158 20 0 GEADMM O=C([O-])N1CC[C@@H](N(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C2CC2)C1 ZINC000831928277 605600365 /nfs/dbraw/zinc/60/03/65/605600365.db2.gz LAJPWCCPPOTLDY-CVEARBPZSA-N -1 1 376.457 2.343 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833788949 605651404 /nfs/dbraw/zinc/65/14/04/605651404.db2.gz FCKJERBEVIGEBM-AWEZNQCLSA-N -1 1 391.468 2.497 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000833817723 605669439 /nfs/dbraw/zinc/66/94/39/605669439.db2.gz ONXTVYGFBGHEBP-ARFHVFGLSA-N -1 1 378.473 2.494 20 0 GEADMM O=C([O-])NC[C@H](NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834206459 605822598 /nfs/dbraw/zinc/82/25/98/605822598.db2.gz QUVVLESATCFFCZ-LSDHHAIUSA-N -1 1 384.440 2.364 20 0 GEADMM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000834110355 605823017 /nfs/dbraw/zinc/82/30/17/605823017.db2.gz WNPDKOPWHUORFV-GJZGRUSLSA-N -1 1 384.440 2.461 20 0 GEADMM O=C([O-])N[C@@H](CNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834145524 605824290 /nfs/dbraw/zinc/82/42/90/605824290.db2.gz NWWZDQJWYWLFHA-LSDHHAIUSA-N -1 1 384.440 2.364 20 0 GEADMM CC(C)(CNC(=O)C(=O)Nc1ccccc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000422540409 605890040 /nfs/dbraw/zinc/89/00/40/605890040.db2.gz JNQHNSFZSNMKCS-UHFFFAOYSA-N -1 1 395.459 2.276 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833789000 605892569 /nfs/dbraw/zinc/89/25/69/605892569.db2.gz FJZWTCCEEMNIJQ-CQSZACIVSA-N -1 1 389.452 2.251 20 0 GEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000833833819 605905643 /nfs/dbraw/zinc/90/56/43/605905643.db2.gz KVOWTHOEWIJVAU-KBPBESRZSA-N -1 1 389.477 2.327 20 0 GEADMM N=C(NOCc1coc(-c2cccc(Cl)c2)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833982388 605924964 /nfs/dbraw/zinc/92/49/64/605924964.db2.gz ZORKXJMJXLJABM-CYBMUJFWSA-N -1 1 380.788 2.372 20 0 GEADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])n[nH]1 ZINC000833512972 605943948 /nfs/dbraw/zinc/94/39/48/605943948.db2.gz XGMBMKYWYMVTDN-MRVPVSSYSA-N -1 1 379.804 2.096 20 0 GEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000834095280 605963862 /nfs/dbraw/zinc/96/38/62/605963862.db2.gz KWJBSHNXYIQUBW-CABCVRRESA-N -1 1 382.464 2.269 20 0 GEADMM O=C([O-])NCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000834244237 606007382 /nfs/dbraw/zinc/00/73/82/606007382.db2.gz YTZXRXAJNLBRHE-UHFFFAOYSA-N -1 1 382.369 2.051 20 0 GEADMM CC(=O)c1csc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000819844701 606020147 /nfs/dbraw/zinc/02/01/47/606020147.db2.gz KWGQWYVQNMRWRQ-UHFFFAOYSA-N -1 1 383.393 2.470 20 0 GEADMM CC(=O)c1csc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000819844701 606020151 /nfs/dbraw/zinc/02/01/51/606020151.db2.gz KWGQWYVQNMRWRQ-UHFFFAOYSA-N -1 1 383.393 2.470 20 0 GEADMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000833825186 606038987 /nfs/dbraw/zinc/03/89/87/606038987.db2.gz BNGYYKYIFIQVGR-FZKQIMNGSA-N -1 1 375.404 2.444 20 0 GEADMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000833825186 606038991 /nfs/dbraw/zinc/03/89/91/606038991.db2.gz BNGYYKYIFIQVGR-FZKQIMNGSA-N -1 1 375.404 2.444 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000820513412 606131645 /nfs/dbraw/zinc/13/16/45/606131645.db2.gz ZGRWDEHUKNVHJG-WHOHXGKFSA-N -1 1 377.470 2.414 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000820513412 606131647 /nfs/dbraw/zinc/13/16/47/606131647.db2.gz ZGRWDEHUKNVHJG-WHOHXGKFSA-N -1 1 377.470 2.414 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCSc2ccccc21 ZINC000823396459 606134654 /nfs/dbraw/zinc/13/46/54/606134654.db2.gz JTDZHURKUWYPMH-UHFFFAOYSA-N -1 1 387.446 2.224 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCSc2ccccc21 ZINC000823396459 606134655 /nfs/dbraw/zinc/13/46/55/606134655.db2.gz JTDZHURKUWYPMH-UHFFFAOYSA-N -1 1 387.446 2.224 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCc2ccccc2C1 ZINC000820508319 606137241 /nfs/dbraw/zinc/13/72/41/606137241.db2.gz OQOFIRWTXINJLI-NSHDSACASA-N -1 1 383.433 2.058 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCc2ccccc2C1 ZINC000820508319 606137242 /nfs/dbraw/zinc/13/72/42/606137242.db2.gz OQOFIRWTXINJLI-NSHDSACASA-N -1 1 383.433 2.058 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1cnn(-c2ccccc2)c1 ZINC000823026689 606138417 /nfs/dbraw/zinc/13/84/17/606138417.db2.gz ASEVALVNHUFASO-UHFFFAOYSA-N -1 1 380.389 2.154 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1cnn(-c2ccccc2)c1 ZINC000823026689 606138418 /nfs/dbraw/zinc/13/84/18/606138418.db2.gz ASEVALVNHUFASO-UHFFFAOYSA-N -1 1 380.389 2.154 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000822609107 606157540 /nfs/dbraw/zinc/15/75/40/606157540.db2.gz JWVDDONVVWTFJP-UHFFFAOYSA-N -1 1 391.439 2.493 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000822609107 606157542 /nfs/dbraw/zinc/15/75/42/606157542.db2.gz JWVDDONVVWTFJP-UHFFFAOYSA-N -1 1 391.439 2.493 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2nc3cc(Cl)ccc3s2)n1 ZINC000822620452 606158448 /nfs/dbraw/zinc/15/84/48/606158448.db2.gz RCROOKVGUQRCKQ-UHFFFAOYSA-N -1 1 389.832 2.185 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2nc3cc(Cl)ccc3s2)n1 ZINC000822620452 606158450 /nfs/dbraw/zinc/15/84/50/606158450.db2.gz RCROOKVGUQRCKQ-UHFFFAOYSA-N -1 1 389.832 2.185 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000822609994 606159671 /nfs/dbraw/zinc/15/96/71/606159671.db2.gz YLYHYEVBJVLYQB-UHFFFAOYSA-N -1 1 392.345 2.430 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000822609994 606159673 /nfs/dbraw/zinc/15/96/73/606159673.db2.gz YLYHYEVBJVLYQB-UHFFFAOYSA-N -1 1 392.345 2.430 20 0 GEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820294117 606160714 /nfs/dbraw/zinc/16/07/14/606160714.db2.gz QYRYUTPDXNYBNG-VIFPVBQESA-N -1 1 394.361 2.372 20 0 GEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820294117 606160715 /nfs/dbraw/zinc/16/07/15/606160715.db2.gz QYRYUTPDXNYBNG-VIFPVBQESA-N -1 1 394.361 2.372 20 0 GEADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821611126 606168330 /nfs/dbraw/zinc/16/83/30/606168330.db2.gz RITAYCUNKVEEBN-UHFFFAOYSA-N -1 1 396.333 2.163 20 0 GEADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821611126 606168331 /nfs/dbraw/zinc/16/83/31/606168331.db2.gz RITAYCUNKVEEBN-UHFFFAOYSA-N -1 1 396.333 2.163 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Br ZINC000820380532 606169398 /nfs/dbraw/zinc/16/93/98/606169398.db2.gz VYWTYCXLPKYKQT-MRVPVSSYSA-N -1 1 391.233 2.245 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Br ZINC000820380532 606169399 /nfs/dbraw/zinc/16/93/99/606169399.db2.gz VYWTYCXLPKYKQT-MRVPVSSYSA-N -1 1 391.233 2.245 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCSc2ccc(Cl)cc2)n1 ZINC000822619649 606169504 /nfs/dbraw/zinc/16/95/04/606169504.db2.gz CQIDVQVVOSHLJR-UHFFFAOYSA-N -1 1 378.849 2.167 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCSc2ccc(Cl)cc2)n1 ZINC000822619649 606169505 /nfs/dbraw/zinc/16/95/05/606169505.db2.gz CQIDVQVVOSHLJR-UHFFFAOYSA-N -1 1 378.849 2.167 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000822614647 606173602 /nfs/dbraw/zinc/17/36/02/606173602.db2.gz PFOJMQHRXCBSDW-VIFPVBQESA-N -1 1 395.210 2.162 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000822614647 606173603 /nfs/dbraw/zinc/17/36/03/606173603.db2.gz PFOJMQHRXCBSDW-VIFPVBQESA-N -1 1 395.210 2.162 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000819933400 606195434 /nfs/dbraw/zinc/19/54/34/606195434.db2.gz QFVDTHLVYAFPAZ-UHFFFAOYSA-N -1 1 388.428 2.158 20 0 GEADMM Cc1oc(NC(=O)CN(C)Cc2nc3ccccc3n2C)c(-c2nn[n-]n2)c1C ZINC000822548318 606198911 /nfs/dbraw/zinc/19/89/11/606198911.db2.gz HYVZMLDVXNEBIA-UHFFFAOYSA-N -1 1 394.439 2.034 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(Oc2cnccn2)c1 ZINC000823294553 606295896 /nfs/dbraw/zinc/29/58/96/606295896.db2.gz GSBBZOVWIJJBLY-UHFFFAOYSA-N -1 1 375.348 2.407 20 0 GEADMM O=C(NCc1nccn1CCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823269771 606296288 /nfs/dbraw/zinc/29/62/88/606296288.db2.gz OROZTPWPFMELTC-UHFFFAOYSA-N -1 1 379.449 2.297 20 0 GEADMM O=C(NCc1nccn1CCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823269771 606296289 /nfs/dbraw/zinc/29/62/89/606296289.db2.gz OROZTPWPFMELTC-UHFFFAOYSA-N -1 1 379.449 2.297 20 0 GEADMM O=C(NCc1nccn1CCCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823269257 606296299 /nfs/dbraw/zinc/29/62/99/606296299.db2.gz BDFFCRYBYCWBLA-UHFFFAOYSA-N -1 1 388.435 2.021 20 0 GEADMM O=C(NCc1nccn1CCCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823269257 606296301 /nfs/dbraw/zinc/29/63/01/606296301.db2.gz BDFFCRYBYCWBLA-UHFFFAOYSA-N -1 1 388.435 2.021 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3ccccc3[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821970141 606311006 /nfs/dbraw/zinc/31/10/06/606311006.db2.gz ITYLGPRTRRNQCY-JTQLQIEISA-N -1 1 382.449 2.449 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2c(F)cccc21 ZINC000823601091 606332151 /nfs/dbraw/zinc/33/21/51/606332151.db2.gz QFSVZEQZPPLHSQ-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823589054 606332310 /nfs/dbraw/zinc/33/23/10/606332310.db2.gz KFOREOUAVOLULE-UHFFFAOYSA-N -1 1 381.364 2.311 20 0 GEADMM COc1cc(OC)cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)c1 ZINC000821723602 606392184 /nfs/dbraw/zinc/39/21/84/606392184.db2.gz FNDWEGGGKFJZHR-JYRVWZFOSA-N -1 1 383.389 2.290 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1C1CC1 ZINC000820637504 606395306 /nfs/dbraw/zinc/39/53/06/606395306.db2.gz YKNJDETXYUCZEJ-CQSZACIVSA-N -1 1 388.453 2.383 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@H]1C ZINC000820726948 606434630 /nfs/dbraw/zinc/43/46/30/606434630.db2.gz DOQNZFCITYZZMG-IUCAKERBSA-N -1 1 375.376 2.305 20 0 GEADMM C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820709012 606456420 /nfs/dbraw/zinc/45/64/20/606456420.db2.gz BVNXZIWJTKNCPC-LBPRGKRZSA-N -1 1 393.407 2.003 20 0 GEADMM NC(=O)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1Cl ZINC000822850845 606465502 /nfs/dbraw/zinc/46/55/02/606465502.db2.gz RVBIPZIFVCBTES-SNVBAGLBSA-N -1 1 392.250 2.325 20 0 GEADMM NC(=O)[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1Cl ZINC000822850845 606465503 /nfs/dbraw/zinc/46/55/03/606465503.db2.gz RVBIPZIFVCBTES-SNVBAGLBSA-N -1 1 392.250 2.325 20 0 GEADMM C[C@H](N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1)C(F)(F)F ZINC000820308170 606469791 /nfs/dbraw/zinc/46/97/91/606469791.db2.gz SKEJLDHKZNBYEX-NSHDSACASA-N -1 1 377.374 2.488 20 0 GEADMM C[C@H](N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1)C(F)(F)F ZINC000820308170 606469792 /nfs/dbraw/zinc/46/97/92/606469792.db2.gz SKEJLDHKZNBYEX-NSHDSACASA-N -1 1 377.374 2.488 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c(F)ccc(F)c2C1 ZINC000823601107 606474429 /nfs/dbraw/zinc/47/44/29/606474429.db2.gz RCPPLUAAOZEVKJ-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823600030 606474489 /nfs/dbraw/zinc/47/44/89/606474489.db2.gz BZJXGBBTRHOLQK-KBPBESRZSA-N -1 1 383.474 2.055 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821571978 606479602 /nfs/dbraw/zinc/47/96/02/606479602.db2.gz NAGSVUPWHPUVPE-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821571978 606479604 /nfs/dbraw/zinc/47/96/04/606479604.db2.gz NAGSVUPWHPUVPE-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM Cc1cccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)N2CCOCC2)c1 ZINC000822289061 606510429 /nfs/dbraw/zinc/51/04/29/606510429.db2.gz QLMXORNKJOPROT-HNNXBMFYSA-N -1 1 398.492 2.040 20 0 GEADMM Cc1cccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)N2CCOCC2)c1 ZINC000822289061 606510430 /nfs/dbraw/zinc/51/04/30/606510430.db2.gz QLMXORNKJOPROT-HNNXBMFYSA-N -1 1 398.492 2.040 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2Cl)c1 ZINC000823436083 606517659 /nfs/dbraw/zinc/51/76/59/606517659.db2.gz GEEZGRLLZOZTHX-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2Cl)c1 ZINC000823436083 606517662 /nfs/dbraw/zinc/51/76/62/606517662.db2.gz GEEZGRLLZOZTHX-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150021 606522068 /nfs/dbraw/zinc/52/20/68/606522068.db2.gz KCUWCQJSTLDILP-UHFFFAOYSA-N -1 1 397.464 2.355 20 0 GEADMM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150021 606522069 /nfs/dbraw/zinc/52/20/69/606522069.db2.gz KCUWCQJSTLDILP-UHFFFAOYSA-N -1 1 397.464 2.355 20 0 GEADMM CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820892559 606527477 /nfs/dbraw/zinc/52/74/77/606527477.db2.gz BRSTWMBGGYZVER-UHFFFAOYSA-N -1 1 376.486 2.085 20 0 GEADMM CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820892559 606527479 /nfs/dbraw/zinc/52/74/79/606527479.db2.gz BRSTWMBGGYZVER-UHFFFAOYSA-N -1 1 376.486 2.085 20 0 GEADMM O=C(NCCOc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823214779 606530220 /nfs/dbraw/zinc/53/02/20/606530220.db2.gz AHKSOPSJDIMPIN-UHFFFAOYSA-N -1 1 394.254 2.500 20 0 GEADMM O=C(NCCOc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823214779 606530222 /nfs/dbraw/zinc/53/02/22/606530222.db2.gz AHKSOPSJDIMPIN-UHFFFAOYSA-N -1 1 394.254 2.500 20 0 GEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000823289726 606532930 /nfs/dbraw/zinc/53/29/30/606532930.db2.gz NOIVOQFQLFBXHP-UHFFFAOYSA-N -1 1 398.390 2.090 20 0 GEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000823289726 606532931 /nfs/dbraw/zinc/53/29/31/606532931.db2.gz NOIVOQFQLFBXHP-UHFFFAOYSA-N -1 1 398.390 2.090 20 0 GEADMM COc1ccccc1N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821897523 606541213 /nfs/dbraw/zinc/54/12/13/606541213.db2.gz IGYYOEZBGFNVFV-UHFFFAOYSA-N -1 1 384.465 2.336 20 0 GEADMM COc1ccccc1N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821897523 606541215 /nfs/dbraw/zinc/54/12/15/606541215.db2.gz IGYYOEZBGFNVFV-UHFFFAOYSA-N -1 1 384.465 2.336 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933426 606543627 /nfs/dbraw/zinc/54/36/27/606543627.db2.gz RFBOKROUGFZTLX-NSHDSACASA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933426 606543628 /nfs/dbraw/zinc/54/36/28/606543628.db2.gz RFBOKROUGFZTLX-NSHDSACASA-N -1 1 392.485 2.305 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1noc(C)n1 ZINC000821882678 606561936 /nfs/dbraw/zinc/56/19/36/606561936.db2.gz HXELUMSRWFJNHB-AWEZNQCLSA-N -1 1 397.420 2.148 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1noc(C)n1 ZINC000821882678 606561938 /nfs/dbraw/zinc/56/19/38/606561938.db2.gz HXELUMSRWFJNHB-AWEZNQCLSA-N -1 1 397.420 2.148 20 0 GEADMM Cn1ccnc1C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822698786 606577996 /nfs/dbraw/zinc/57/79/96/606577996.db2.gz FGXXMYNIFYIZNQ-ZDUSSCGKSA-N -1 1 379.449 2.376 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1c1cccn1C ZINC000822004988 606578489 /nfs/dbraw/zinc/57/84/89/606578489.db2.gz MXASDEMANALBFD-INIZCTEOSA-N -1 1 395.467 2.219 20 0 GEADMM O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823166481 606580049 /nfs/dbraw/zinc/58/00/49/606580049.db2.gz LSFXBBDAHXGFRF-AWEZNQCLSA-N -1 1 383.355 2.108 20 0 GEADMM O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823166481 606580051 /nfs/dbraw/zinc/58/00/51/606580051.db2.gz LSFXBBDAHXGFRF-AWEZNQCLSA-N -1 1 383.355 2.108 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CC(F)(F)F)C1CCC1 ZINC000822004939 606591548 /nfs/dbraw/zinc/59/15/48/606591548.db2.gz MGVZRXNVCFVBKH-UHFFFAOYSA-N -1 1 398.389 2.460 20 0 GEADMM O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166832 606593951 /nfs/dbraw/zinc/59/39/51/606593951.db2.gz QMOVTKCKMOYRSF-JTQLQIEISA-N -1 1 399.354 2.290 20 0 GEADMM O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166832 606593952 /nfs/dbraw/zinc/59/39/52/606593952.db2.gz QMOVTKCKMOYRSF-JTQLQIEISA-N -1 1 399.354 2.290 20 0 GEADMM C[C@H]1CC/C(=C/C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820678736 606619117 /nfs/dbraw/zinc/61/91/17/606619117.db2.gz XUFMLCIGCCLHDX-KLDSGFLGSA-N -1 1 383.456 2.127 20 0 GEADMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819782021 606648431 /nfs/dbraw/zinc/64/84/31/606648431.db2.gz HXEAVVKIENRDCS-AWEZNQCLSA-N -1 1 395.419 2.294 20 0 GEADMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819782021 606648432 /nfs/dbraw/zinc/64/84/32/606648432.db2.gz HXEAVVKIENRDCS-AWEZNQCLSA-N -1 1 395.419 2.294 20 0 GEADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1)c1ccco1 ZINC000823436480 606653388 /nfs/dbraw/zinc/65/33/88/606653388.db2.gz XNBSJNOFNMAXKD-UHFFFAOYSA-N -1 1 390.359 2.464 20 0 GEADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1)c1ccco1 ZINC000823436480 606653389 /nfs/dbraw/zinc/65/33/89/606653389.db2.gz XNBSJNOFNMAXKD-UHFFFAOYSA-N -1 1 390.359 2.464 20 0 GEADMM O=C(CCc1nc(-c2cccs2)no1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986590 606653719 /nfs/dbraw/zinc/65/37/19/606653719.db2.gz HZABPVFVLMDFAN-UHFFFAOYSA-N -1 1 383.393 2.049 20 0 GEADMM O=C(CCc1nc(-c2cccs2)no1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986590 606653720 /nfs/dbraw/zinc/65/37/20/606653720.db2.gz HZABPVFVLMDFAN-UHFFFAOYSA-N -1 1 383.393 2.049 20 0 GEADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2-c2nn[nH]n2)[nH]n1 ZINC000822340815 606655831 /nfs/dbraw/zinc/65/58/31/606655831.db2.gz IWJOZGNKCLHBCM-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821456558 606697540 /nfs/dbraw/zinc/69/75/40/606697540.db2.gz PYKPPNKMCCLODY-GHMZBOCLSA-N -1 1 380.499 2.093 20 0 GEADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821456567 606698090 /nfs/dbraw/zinc/69/80/90/606698090.db2.gz PYKPPNKMCCLODY-WDEREUQCSA-N -1 1 380.499 2.093 20 0 GEADMM COCCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCC1 ZINC000821686534 606741224 /nfs/dbraw/zinc/74/12/24/606741224.db2.gz UYVLDCRFHODZLO-UHFFFAOYSA-N -1 1 384.440 2.495 20 0 GEADMM COCCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCC1 ZINC000821686534 606741225 /nfs/dbraw/zinc/74/12/25/606741225.db2.gz UYVLDCRFHODZLO-UHFFFAOYSA-N -1 1 384.440 2.495 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)C[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000822486394 606753633 /nfs/dbraw/zinc/75/36/33/606753633.db2.gz IMUKZZQSAUFRFM-HNNXBMFYSA-N -1 1 382.424 2.363 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000822540995 606754367 /nfs/dbraw/zinc/75/43/67/606754367.db2.gz JSYTVLWPVSJXNF-UHFFFAOYSA-N -1 1 399.798 2.163 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000822540995 606754369 /nfs/dbraw/zinc/75/43/69/606754369.db2.gz JSYTVLWPVSJXNF-UHFFFAOYSA-N -1 1 399.798 2.163 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc(C3CC3)cn2)c(-c2nn[n-]n2)c1C ZINC000822549171 606760409 /nfs/dbraw/zinc/76/04/09/606760409.db2.gz UQDMWUKWUOPPQS-UHFFFAOYSA-N -1 1 382.380 2.144 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOc2ccc(Cl)cc21 ZINC000823605908 606765954 /nfs/dbraw/zinc/76/59/54/606765954.db2.gz CTVAVSNUSBAOBK-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(F)cc1Cl ZINC000820803603 606782722 /nfs/dbraw/zinc/78/27/22/606782722.db2.gz DAQFGQUTDKJNAU-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(F)cc1Cl ZINC000820803603 606782724 /nfs/dbraw/zinc/78/27/24/606782724.db2.gz DAQFGQUTDKJNAU-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000821077926 606783193 /nfs/dbraw/zinc/78/31/93/606783193.db2.gz XEXMQALYVXDRRN-ZDUSSCGKSA-N -1 1 399.528 2.167 20 0 GEADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000821077926 606783195 /nfs/dbraw/zinc/78/31/95/606783195.db2.gz XEXMQALYVXDRRN-ZDUSSCGKSA-N -1 1 399.528 2.167 20 0 GEADMM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822230591 606793577 /nfs/dbraw/zinc/79/35/77/606793577.db2.gz KTQALNZVYPJFQT-QGZVFWFLSA-N -1 1 384.465 2.404 20 0 GEADMM Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822230591 606793579 /nfs/dbraw/zinc/79/35/79/606793579.db2.gz KTQALNZVYPJFQT-QGZVFWFLSA-N -1 1 384.465 2.404 20 0 GEADMM OCC1(CSc2nc3c(c(-c4ccco4)c2-c2nn[n-]n2)CCC3)COC1 ZINC000823715793 606793788 /nfs/dbraw/zinc/79/37/88/606793788.db2.gz WMISEPSUPMVSLJ-UHFFFAOYSA-N -1 1 385.449 2.111 20 0 GEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821448728 606818341 /nfs/dbraw/zinc/81/83/41/606818341.db2.gz NNMNDEJIEONGCG-NXEZZACHSA-N -1 1 394.526 2.435 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cccc3[nH]ccc32)c(-c2nn[n-]n2)c1C ZINC000822548986 606818840 /nfs/dbraw/zinc/81/88/40/606818840.db2.gz QTTRHUVPFWQMQU-UHFFFAOYSA-N -1 1 380.364 2.353 20 0 GEADMM CCCCC[C@@H](C)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821049720 606823569 /nfs/dbraw/zinc/82/35/69/606823569.db2.gz NDSNDNROXQKWHN-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCC[C@@H](C)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821049720 606823570 /nfs/dbraw/zinc/82/35/70/606823570.db2.gz NDSNDNROXQKWHN-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCC[C@H](C)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821049717 606823719 /nfs/dbraw/zinc/82/37/19/606823719.db2.gz NDSNDNROXQKWHN-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCC[C@H](C)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821049717 606823721 /nfs/dbraw/zinc/82/37/21/606823721.db2.gz NDSNDNROXQKWHN-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(Cc1cccs1)C1CC1 ZINC000823600417 606841301 /nfs/dbraw/zinc/84/13/01/606841301.db2.gz HJFCIFVJVAQVIM-UHFFFAOYSA-N -1 1 379.442 2.421 20 0 GEADMM CCN(CCc1cccs1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821213362 606842100 /nfs/dbraw/zinc/84/21/00/606842100.db2.gz BVTYLXTZWJQCTF-UHFFFAOYSA-N -1 1 381.458 2.321 20 0 GEADMM CN(CCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821600423 606842112 /nfs/dbraw/zinc/84/21/12/606842112.db2.gz LWPOXTDZSFOKNO-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM C[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820254526 606843352 /nfs/dbraw/zinc/84/33/52/606843352.db2.gz QNZIOIHCGXIFDB-GFCCVEGCSA-N -1 1 375.429 2.430 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823601215 606845881 /nfs/dbraw/zinc/84/58/81/606845881.db2.gz WPZSREUKPXGTBC-GFCCVEGCSA-N -1 1 391.403 2.323 20 0 GEADMM CC(C)c1ccsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820197130 606854356 /nfs/dbraw/zinc/85/43/56/606854356.db2.gz GTUPBJWDRUTVFE-LBPRGKRZSA-N -1 1 398.496 2.193 20 0 GEADMM CC(C)c1ccsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820197130 606854357 /nfs/dbraw/zinc/85/43/57/606854357.db2.gz GTUPBJWDRUTVFE-LBPRGKRZSA-N -1 1 398.496 2.193 20 0 GEADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCCC1 ZINC000820062743 606854474 /nfs/dbraw/zinc/85/44/74/606854474.db2.gz OCAFUTBBCHBDJA-OAHLLOKOSA-N -1 1 398.515 2.300 20 0 GEADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCCC1 ZINC000820062743 606854476 /nfs/dbraw/zinc/85/44/76/606854476.db2.gz OCAFUTBBCHBDJA-OAHLLOKOSA-N -1 1 398.515 2.300 20 0 GEADMM O[C@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674864 606877845 /nfs/dbraw/zinc/87/78/45/606877845.db2.gz SNLQDDZFVYMQGB-NWDGAFQWSA-N -1 1 392.872 2.306 20 0 GEADMM O[C@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674864 606877846 /nfs/dbraw/zinc/87/78/46/606877846.db2.gz SNLQDDZFVYMQGB-NWDGAFQWSA-N -1 1 392.872 2.306 20 0 GEADMM O[C@@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823672758 606877856 /nfs/dbraw/zinc/87/78/56/606877856.db2.gz GUZXMZUDXWEIEX-ZFWWWQNUSA-N -1 1 386.843 2.244 20 0 GEADMM O[C@@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823672758 606877857 /nfs/dbraw/zinc/87/78/57/606877857.db2.gz GUZXMZUDXWEIEX-ZFWWWQNUSA-N -1 1 386.843 2.244 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cccc(F)c2N)c1-c1nn[n-]n1 ZINC000822486200 606899607 /nfs/dbraw/zinc/89/96/07/606899607.db2.gz BBUXHCVLQJHNQH-UHFFFAOYSA-N -1 1 393.382 2.439 20 0 GEADMM COC(=O)C[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821656835 606952210 /nfs/dbraw/zinc/95/22/10/606952210.db2.gz AJNAVLGUXGBCOY-LLVKDONJSA-N -1 1 385.449 2.411 20 0 GEADMM CS(=O)(=O)CCCCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821927108 606984520 /nfs/dbraw/zinc/98/45/20/606984520.db2.gz PESDOTKSQSTGTB-UHFFFAOYSA-N -1 1 388.453 2.291 20 0 GEADMM C[C@H]1CC[C@H](CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820684588 607025195 /nfs/dbraw/zinc/02/51/95/607025195.db2.gz RNFDCJPQEALIPT-STQMWFEESA-N -1 1 385.472 2.207 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000821308894 607032832 /nfs/dbraw/zinc/03/28/32/607032832.db2.gz HIAHTDWQWCYSON-UHFFFAOYSA-N -1 1 386.437 2.130 20 0 GEADMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821449306 607054690 /nfs/dbraw/zinc/05/46/90/607054690.db2.gz RUCVPZKQCNIUJF-QMMMGPOBSA-N -1 1 379.471 2.398 20 0 GEADMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821449306 607054692 /nfs/dbraw/zinc/05/46/92/607054692.db2.gz RUCVPZKQCNIUJF-QMMMGPOBSA-N -1 1 379.471 2.398 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccn(CCC(C)C)n1 ZINC000822009879 607069009 /nfs/dbraw/zinc/06/90/09/607069009.db2.gz GKSZWUVQNGRFRK-UHFFFAOYSA-N -1 1 398.471 2.398 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC000819933351 607105550 /nfs/dbraw/zinc/10/55/50/607105550.db2.gz OJYXOCDYNMSHNG-UHFFFAOYSA-N -1 1 393.473 2.299 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC000819933351 607105552 /nfs/dbraw/zinc/10/55/52/607105552.db2.gz OJYXOCDYNMSHNG-UHFFFAOYSA-N -1 1 393.473 2.299 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000823380014 607107588 /nfs/dbraw/zinc/10/75/88/607107588.db2.gz NVYRBFWWUHQSER-ZDUSSCGKSA-N -1 1 387.444 2.456 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000823380014 607107589 /nfs/dbraw/zinc/10/75/89/607107589.db2.gz NVYRBFWWUHQSER-ZDUSSCGKSA-N -1 1 387.444 2.456 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000823380022 607108800 /nfs/dbraw/zinc/10/88/00/607108800.db2.gz NZIBWYNNANKSGT-UHFFFAOYSA-N -1 1 379.409 2.238 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000823363463 607108974 /nfs/dbraw/zinc/10/89/74/607108974.db2.gz FDBHEDABIYESLD-UHFFFAOYSA-N -1 1 392.404 2.223 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000823363463 607108975 /nfs/dbraw/zinc/10/89/75/607108975.db2.gz FDBHEDABIYESLD-UHFFFAOYSA-N -1 1 392.404 2.223 20 0 GEADMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)n1Cc1ccccn1 ZINC000822184482 607110296 /nfs/dbraw/zinc/11/02/96/607110296.db2.gz VOPADVVDOXSAOC-UHFFFAOYSA-N -1 1 380.437 2.437 20 0 GEADMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)n1Cc1ccccn1 ZINC000822184482 607110298 /nfs/dbraw/zinc/11/02/98/607110298.db2.gz VOPADVVDOXSAOC-UHFFFAOYSA-N -1 1 380.437 2.437 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccnn2C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000822548283 607115653 /nfs/dbraw/zinc/11/56/53/607115653.db2.gz HCBSAPKPKKGWRU-UHFFFAOYSA-N -1 1 399.411 2.184 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)[nH]nc1C1CC1 ZINC000822021416 607152529 /nfs/dbraw/zinc/15/25/29/607152529.db2.gz ZTJPFLQZENBVRS-UHFFFAOYSA-N -1 1 379.833 2.230 20 0 GEADMM COc1ccccc1[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccco1 ZINC000821883703 607194901 /nfs/dbraw/zinc/19/49/01/607194901.db2.gz ZTVTXWQSCSJBNU-HNNXBMFYSA-N -1 1 394.395 2.113 20 0 GEADMM COc1ccccc1[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccco1 ZINC000821883703 607194902 /nfs/dbraw/zinc/19/49/02/607194902.db2.gz ZTVTXWQSCSJBNU-HNNXBMFYSA-N -1 1 394.395 2.113 20 0 GEADMM O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823372863 607206327 /nfs/dbraw/zinc/20/63/27/607206327.db2.gz MATCVUVZXDRXON-UHFFFAOYSA-N -1 1 398.448 2.125 20 0 GEADMM O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823372863 607206328 /nfs/dbraw/zinc/20/63/28/607206328.db2.gz MATCVUVZXDRXON-UHFFFAOYSA-N -1 1 398.448 2.125 20 0 GEADMM CC(C)c1ccc(C2(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCCC2)cc1 ZINC000820191946 607215092 /nfs/dbraw/zinc/21/50/92/607215092.db2.gz BODOLAQFTPREHS-UHFFFAOYSA-N -1 1 394.483 2.210 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(Cc1ccccn1)C1CC1 ZINC000822005005 607240547 /nfs/dbraw/zinc/24/05/47/607240547.db2.gz NAVDOYGGKFKIFZ-UHFFFAOYSA-N -1 1 393.451 2.103 20 0 GEADMM CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824844116 607811449 /nfs/dbraw/zinc/81/14/49/607811449.db2.gz PZBBVVKRGSNQHI-UHFFFAOYSA-N -1 1 384.465 2.004 20 0 GEADMM CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824844116 607811450 /nfs/dbraw/zinc/81/14/50/607811450.db2.gz PZBBVVKRGSNQHI-UHFFFAOYSA-N -1 1 384.465 2.004 20 0 GEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010498 607849568 /nfs/dbraw/zinc/84/95/68/607849568.db2.gz LEKLOLIDNPEPEN-CJNGLKHVSA-N -1 1 387.806 2.438 20 0 GEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010498 607849569 /nfs/dbraw/zinc/84/95/69/607849569.db2.gz LEKLOLIDNPEPEN-CJNGLKHVSA-N -1 1 387.806 2.438 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCc1ccc(Cl)cc1 ZINC000826418805 607864272 /nfs/dbraw/zinc/86/42/72/607864272.db2.gz XCEVKXHUSWUFAY-UHFFFAOYSA-N -1 1 375.791 2.397 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCc1ccc(Cl)cc1 ZINC000826418805 607864273 /nfs/dbraw/zinc/86/42/73/607864273.db2.gz XCEVKXHUSWUFAY-UHFFFAOYSA-N -1 1 375.791 2.397 20 0 GEADMM CN1CCCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc21 ZINC000826034291 607867381 /nfs/dbraw/zinc/86/73/81/607867381.db2.gz PNPGEYXJSJTXKW-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM CN1CCCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc21 ZINC000826034291 607867382 /nfs/dbraw/zinc/86/73/82/607867382.db2.gz PNPGEYXJSJTXKW-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cnc(Cl)c(Cl)c1 ZINC000826493569 607868030 /nfs/dbraw/zinc/86/80/30/607868030.db2.gz RBWGWTZVZPFQHR-UHFFFAOYSA-N -1 1 390.183 2.475 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cnc(Cl)c(Cl)c1 ZINC000826493569 607868031 /nfs/dbraw/zinc/86/80/31/607868031.db2.gz RBWGWTZVZPFQHR-UHFFFAOYSA-N -1 1 390.183 2.475 20 0 GEADMM Cc1cc2ncn(C[C@H](O)COc3cccc(F)c3-c3nnn[n-]3)c2cc1C ZINC000826272815 607874741 /nfs/dbraw/zinc/87/47/41/607874741.db2.gz CFLIWPBQVLXULA-ZDUSSCGKSA-N -1 1 382.399 2.412 20 0 GEADMM Cc1cc2ncn(C[C@H](O)COc3cccc(F)c3-c3nn[n-]n3)c2cc1C ZINC000826272815 607874742 /nfs/dbraw/zinc/87/47/42/607874742.db2.gz CFLIWPBQVLXULA-ZDUSSCGKSA-N -1 1 382.399 2.412 20 0 GEADMM CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1c(C)noc1C ZINC000825133352 607956559 /nfs/dbraw/zinc/95/65/59/607956559.db2.gz LTQFQGDTHQAXFZ-CQSZACIVSA-N -1 1 399.455 2.389 20 0 GEADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1c(C)noc1C ZINC000825134639 607962366 /nfs/dbraw/zinc/96/23/66/607962366.db2.gz VYMRAGRNKUSQNN-LLVKDONJSA-N -1 1 389.441 2.175 20 0 GEADMM FC(F)Oc1cccc([C@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826370219 607992284 /nfs/dbraw/zinc/99/22/84/607992284.db2.gz IUZNFIRIYBZLIE-MRXNPFEDSA-N -1 1 388.378 2.437 20 0 GEADMM C[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCN1C(=O)c1ccccc1 ZINC000824783088 607997247 /nfs/dbraw/zinc/99/72/47/607997247.db2.gz CBNQGHRXVXSINS-FQEVSTJZSA-N -1 1 392.419 2.206 20 0 GEADMM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825242227 607998395 /nfs/dbraw/zinc/99/83/95/607998395.db2.gz LQRFRHKEZVZMAF-NSHDSACASA-N -1 1 376.417 2.204 20 0 GEADMM CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825342873 607998447 /nfs/dbraw/zinc/99/84/47/607998447.db2.gz XKNXJXGYJPUAGS-UHFFFAOYSA-N -1 1 387.421 2.008 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCCN1Cc1ccccc1 ZINC000826478341 608053868 /nfs/dbraw/zinc/05/38/68/608053868.db2.gz ZRCJNLKEVBNTJQ-SFHVURJKSA-N -1 1 399.458 2.440 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCCN1Cc1ccccc1 ZINC000826478341 608053869 /nfs/dbraw/zinc/05/38/69/608053869.db2.gz ZRCJNLKEVBNTJQ-SFHVURJKSA-N -1 1 399.458 2.440 20 0 GEADMM CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825158828 608072364 /nfs/dbraw/zinc/07/23/64/608072364.db2.gz BLSNUOYUDYUFAA-INIZCTEOSA-N -1 1 380.408 2.028 20 0 GEADMM CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825158828 608072365 /nfs/dbraw/zinc/07/23/65/608072365.db2.gz BLSNUOYUDYUFAA-INIZCTEOSA-N -1 1 380.408 2.028 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000826395766 608078393 /nfs/dbraw/zinc/07/83/93/608078393.db2.gz RWSWFXQVSGLCCU-UHFFFAOYSA-N -1 1 388.363 2.395 20 0 GEADMM O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826473343 608079728 /nfs/dbraw/zinc/07/97/28/608079728.db2.gz UGWFCJSTWOWWHX-MRXNPFEDSA-N -1 1 385.811 2.439 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826231641 608168033 /nfs/dbraw/zinc/16/80/33/608168033.db2.gz UADDOHVRJYEJAZ-GHMZBOCLSA-N -1 1 388.497 2.406 20 0 GEADMM Cc1ccc(-n2nnnc2Sc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826281175 608171146 /nfs/dbraw/zinc/17/11/46/608171146.db2.gz HJYHYYAFCGSLMV-UHFFFAOYSA-N -1 1 377.846 2.412 20 0 GEADMM Cc1ccc(-n2nnnc2Sc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826281175 608171147 /nfs/dbraw/zinc/17/11/47/608171147.db2.gz HJYHYYAFCGSLMV-UHFFFAOYSA-N -1 1 377.846 2.412 20 0 GEADMM Cn1c(=O)c2ccsc2nc1Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000826356123 608171621 /nfs/dbraw/zinc/17/16/21/608171621.db2.gz BDOCJGZBYQMBJN-UHFFFAOYSA-N -1 1 383.871 2.436 20 0 GEADMM Cn1c(=O)c2ccsc2nc1Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000826356123 608171623 /nfs/dbraw/zinc/17/16/23/608171623.db2.gz BDOCJGZBYQMBJN-UHFFFAOYSA-N -1 1 383.871 2.436 20 0 GEADMM Cc1nc2nc(Sc3snc(Cl)c3-c3nnn[n-]3)nn2c(C)c1C ZINC000826329147 608177596 /nfs/dbraw/zinc/17/75/96/608177596.db2.gz RPSIWEXHKQSHIZ-UHFFFAOYSA-N -1 1 379.862 2.491 20 0 GEADMM Cc1nc2nc(Sc3snc(Cl)c3-c3nn[n-]n3)nn2c(C)c1C ZINC000826329147 608177597 /nfs/dbraw/zinc/17/75/97/608177597.db2.gz RPSIWEXHKQSHIZ-UHFFFAOYSA-N -1 1 379.862 2.491 20 0 GEADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000826010719 608187427 /nfs/dbraw/zinc/18/74/27/608187427.db2.gz PISMVWRGEBPYAF-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000826010719 608187428 /nfs/dbraw/zinc/18/74/28/608187428.db2.gz PISMVWRGEBPYAF-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM O=C1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CN1c1c(F)cccc1F ZINC000826479452 608198043 /nfs/dbraw/zinc/19/80/43/608198043.db2.gz YWPPZKKOKWWYTP-ZCFIWIBFSA-N -1 1 397.798 2.472 20 0 GEADMM O=C1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CN1c1c(F)cccc1F ZINC000826479452 608198044 /nfs/dbraw/zinc/19/80/44/608198044.db2.gz YWPPZKKOKWWYTP-ZCFIWIBFSA-N -1 1 397.798 2.472 20 0 GEADMM CS(=O)(=O)C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826222140 608292687 /nfs/dbraw/zinc/29/26/87/608292687.db2.gz KSOBQKBTNNIXKK-VIFPVBQESA-N -1 1 384.874 2.174 20 0 GEADMM CS(=O)(=O)C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826222140 608292688 /nfs/dbraw/zinc/29/26/88/608292688.db2.gz KSOBQKBTNNIXKK-VIFPVBQESA-N -1 1 384.874 2.174 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472392 608315464 /nfs/dbraw/zinc/31/54/64/608315464.db2.gz JJVJYFIVLRVEIW-QGZVFWFLSA-N -1 1 389.868 2.401 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472392 608315466 /nfs/dbraw/zinc/31/54/66/608315466.db2.gz JJVJYFIVLRVEIW-QGZVFWFLSA-N -1 1 389.868 2.401 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(Oc2ccccc2)cn1 ZINC000826467232 608324344 /nfs/dbraw/zinc/32/43/44/608324344.db2.gz MRQOKINWHISALH-UHFFFAOYSA-N -1 1 375.348 2.201 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(Oc2ccccc2)cn1 ZINC000826467232 608324346 /nfs/dbraw/zinc/32/43/46/608324346.db2.gz MRQOKINWHISALH-UHFFFAOYSA-N -1 1 375.348 2.201 20 0 GEADMM CC[C@@H](CSC)N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825119948 608335424 /nfs/dbraw/zinc/33/54/24/608335424.db2.gz GWFIGFWKNPSJSW-LBPRGKRZSA-N -1 1 378.502 2.117 20 0 GEADMM CCCCN(CCCC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825282478 608340454 /nfs/dbraw/zinc/34/04/54/608340454.db2.gz UGBUDWXIFHRWHZ-UHFFFAOYSA-N -1 1 390.492 2.186 20 0 GEADMM CCCCN(CCCC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825282478 608340457 /nfs/dbraw/zinc/34/04/57/608340457.db2.gz UGBUDWXIFHRWHZ-UHFFFAOYSA-N -1 1 390.492 2.186 20 0 GEADMM CC(C)CCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824244803 608354205 /nfs/dbraw/zinc/35/42/05/608354205.db2.gz UFJYUQAOYISXDF-GFCCVEGCSA-N -1 1 390.492 2.088 20 0 GEADMM CC(C)CCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824244803 608354206 /nfs/dbraw/zinc/35/42/06/608354206.db2.gz UFJYUQAOYISXDF-GFCCVEGCSA-N -1 1 390.492 2.088 20 0 GEADMM O[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000826502703 608409276 /nfs/dbraw/zinc/40/92/76/608409276.db2.gz JAGDZRHOAAGUOY-ZDUSSCGKSA-N -1 1 385.737 2.172 20 0 GEADMM O[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000826502703 608409278 /nfs/dbraw/zinc/40/92/78/608409278.db2.gz JAGDZRHOAAGUOY-ZDUSSCGKSA-N -1 1 385.737 2.172 20 0 GEADMM Fc1cc(Br)cc2c1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000826372322 608415582 /nfs/dbraw/zinc/41/55/82/608415582.db2.gz RMHGYRPKDDTCDB-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM Fc1cc(Br)cc2c1CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000826372322 608415584 /nfs/dbraw/zinc/41/55/84/608415584.db2.gz RMHGYRPKDDTCDB-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826179833 608427711 /nfs/dbraw/zinc/42/77/11/608427711.db2.gz GVWPTDYAERQHFY-UHFFFAOYSA-N -1 1 388.819 2.068 20 0 GEADMM COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826179833 608427713 /nfs/dbraw/zinc/42/77/13/608427713.db2.gz GVWPTDYAERQHFY-UHFFFAOYSA-N -1 1 388.819 2.068 20 0 GEADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1Br ZINC000824426790 608428265 /nfs/dbraw/zinc/42/82/65/608428265.db2.gz IBHKBXTWWGEBDL-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1Br ZINC000824426790 608428267 /nfs/dbraw/zinc/42/82/67/608428267.db2.gz IBHKBXTWWGEBDL-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM CSC(C)(C)COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826224911 608478078 /nfs/dbraw/zinc/47/80/78/608478078.db2.gz OVFORWQICXRWMN-UHFFFAOYSA-N -1 1 389.485 2.144 20 0 GEADMM CSC(C)(C)COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826224911 608478080 /nfs/dbraw/zinc/47/80/80/608478080.db2.gz OVFORWQICXRWMN-UHFFFAOYSA-N -1 1 389.485 2.144 20 0 GEADMM CN(CC(=O)Nc1ccccc1Br)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825892633 608500773 /nfs/dbraw/zinc/50/07/73/608500773.db2.gz QZYQSOXDLGFSRI-UHFFFAOYSA-N -1 1 391.229 2.293 20 0 GEADMM CN(CC(=O)Nc1ccccc1Br)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825892633 608500774 /nfs/dbraw/zinc/50/07/74/608500774.db2.gz QZYQSOXDLGFSRI-UHFFFAOYSA-N -1 1 391.229 2.293 20 0 GEADMM COc1ccc(Cl)cc1CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826208271 608516988 /nfs/dbraw/zinc/51/69/88/608516988.db2.gz BXVIYGIGOPVGNQ-UHFFFAOYSA-N -1 1 388.859 2.440 20 0 GEADMM COc1ccc(Cl)cc1CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826208271 608516990 /nfs/dbraw/zinc/51/69/90/608516990.db2.gz BXVIYGIGOPVGNQ-UHFFFAOYSA-N -1 1 388.859 2.440 20 0 GEADMM CCCCC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825266862 608559340 /nfs/dbraw/zinc/55/93/40/608559340.db2.gz HVJKHBFGNRJWNY-ZDUSSCGKSA-N -1 1 376.509 2.416 20 0 GEADMM CCCCC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825266862 608559342 /nfs/dbraw/zinc/55/93/42/608559342.db2.gz HVJKHBFGNRJWNY-ZDUSSCGKSA-N -1 1 376.509 2.416 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C[C@H]1O ZINC000824976426 608592013 /nfs/dbraw/zinc/59/20/13/608592013.db2.gz OSMDNYORSFXLNZ-XHDPSFHLSA-N -1 1 383.383 2.251 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C[C@H]1O ZINC000824976426 608592015 /nfs/dbraw/zinc/59/20/15/608592015.db2.gz OSMDNYORSFXLNZ-XHDPSFHLSA-N -1 1 383.383 2.251 20 0 GEADMM CCOC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000825494071 609155251 /nfs/dbraw/zinc/15/52/51/609155251.db2.gz RSIJOCDIXCNWDS-AWEZNQCLSA-N -1 1 389.318 2.001 20 0 GEADMM CCOC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000825494071 609155252 /nfs/dbraw/zinc/15/52/52/609155252.db2.gz RSIJOCDIXCNWDS-AWEZNQCLSA-N -1 1 389.318 2.001 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229440 609267554 /nfs/dbraw/zinc/26/75/54/609267554.db2.gz DVDQTQATDOJKHK-QWRGUYRKSA-N -1 1 392.485 2.013 20 0 GEADMM COCCN1CC(=O)N(Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000826159850 609277125 /nfs/dbraw/zinc/27/71/25/609277125.db2.gz VBKXVPCBKYNTOX-UHFFFAOYSA-N -1 1 398.448 2.006 20 0 GEADMM CN(C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCCCC1 ZINC000825818267 609278498 /nfs/dbraw/zinc/27/84/98/609278498.db2.gz ZDUACENRNCRWAI-UHFFFAOYSA-N -1 1 398.446 2.395 20 0 GEADMM O=C(Cc1ccc(O)cc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826422837 609288063 /nfs/dbraw/zinc/28/80/63/609288063.db2.gz NXSNOGCXJYQQFU-UHFFFAOYSA-N -1 1 379.355 2.078 20 0 GEADMM O=C(CCOCC(F)(F)F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826408259 609288249 /nfs/dbraw/zinc/28/82/49/609288249.db2.gz XNYPOOIWCUTLOI-UHFFFAOYSA-N -1 1 399.308 2.099 20 0 GEADMM Cc1nc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)s1 ZINC000826325489 609289378 /nfs/dbraw/zinc/28/93/78/609289378.db2.gz ZLHLCBFPXUQVLI-UHFFFAOYSA-N -1 1 398.427 2.446 20 0 GEADMM O=C(COc1ccccc1F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826419418 609289402 /nfs/dbraw/zinc/28/94/02/609289402.db2.gz XGNAVRBSTXMBSR-UHFFFAOYSA-N -1 1 397.345 2.348 20 0 GEADMM O=C(CCc1cscn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409091 609289562 /nfs/dbraw/zinc/28/95/62/609289562.db2.gz ICWFZRNRUCNHLX-UHFFFAOYSA-N -1 1 384.400 2.219 20 0 GEADMM C[C@H]1C[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1=O ZINC000824866799 609290708 /nfs/dbraw/zinc/29/07/08/609290708.db2.gz NQCBKCXEGHNIOW-QWRGUYRKSA-N -1 1 383.387 2.135 20 0 GEADMM CC(C)c1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nn1C ZINC000824342732 609291704 /nfs/dbraw/zinc/29/17/04/609291704.db2.gz SXXMYWIBEJYDHL-UHFFFAOYSA-N -1 1 395.402 2.301 20 0 GEADMM CCc1ccnc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000825728435 609292289 /nfs/dbraw/zinc/29/22/89/609292289.db2.gz OZCORUYBELHJLY-UHFFFAOYSA-N -1 1 378.371 2.401 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@]2(C)CCCOC2)c1-c1nn[n-]n1 ZINC000826332242 609296167 /nfs/dbraw/zinc/29/61/67/609296167.db2.gz OGNJMSLLDLBUGU-IBGZPJMESA-N -1 1 382.424 2.221 20 0 GEADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825133756 609298631 /nfs/dbraw/zinc/29/86/31/609298631.db2.gz PDHBJDFAIBRDIH-CQSZACIVSA-N -1 1 397.487 2.206 20 0 GEADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825133756 609298632 /nfs/dbraw/zinc/29/86/32/609298632.db2.gz PDHBJDFAIBRDIH-CQSZACIVSA-N -1 1 397.487 2.206 20 0 GEADMM CCc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825705161 609298843 /nfs/dbraw/zinc/29/88/43/609298843.db2.gz XKVRPDHVSWGZKI-GFCCVEGCSA-N -1 1 397.487 2.070 20 0 GEADMM CCc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825705161 609298845 /nfs/dbraw/zinc/29/88/45/609298845.db2.gz XKVRPDHVSWGZKI-GFCCVEGCSA-N -1 1 397.487 2.070 20 0 GEADMM CC(C)Oc1ncccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824337746 609317553 /nfs/dbraw/zinc/31/75/53/609317553.db2.gz FMRFHIMNUZJDSS-UHFFFAOYSA-N -1 1 395.828 2.470 20 0 GEADMM O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432046 609320900 /nfs/dbraw/zinc/32/09/00/609320900.db2.gz QJITVHYSOWGXLL-NSHDSACASA-N -1 1 387.806 2.063 20 0 GEADMM O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826432046 609320902 /nfs/dbraw/zinc/32/09/02/609320902.db2.gz QJITVHYSOWGXLL-NSHDSACASA-N -1 1 387.806 2.063 20 0 GEADMM CCCn1cc(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825361179 609361736 /nfs/dbraw/zinc/36/17/36/609361736.db2.gz CTVVXSIPYLFMAG-UHFFFAOYSA-N -1 1 396.390 2.442 20 0 GEADMM CC(C)(C)OC(=O)NCCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824114496 609415476 /nfs/dbraw/zinc/41/54/76/609415476.db2.gz UKWMHQJINMBAEV-UHFFFAOYSA-N -1 1 376.417 2.206 20 0 GEADMM Cc1nc(S[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[n-]c(=O)c1C ZINC000826327493 609423234 /nfs/dbraw/zinc/42/32/34/609423234.db2.gz JZHMMEVGRVXCMC-CQSZACIVSA-N -1 1 397.464 2.267 20 0 GEADMM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000824384398 609468647 /nfs/dbraw/zinc/46/86/47/609468647.db2.gz BJBMGZJUHSLWCR-LLVKDONJSA-N -1 1 387.421 2.246 20 0 GEADMM Cc1onc(CC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nnn[n-]1 ZINC000826344077 609470016 /nfs/dbraw/zinc/47/00/16/609470016.db2.gz WMVQXPUUMYIVFC-UHFFFAOYSA-N -1 1 385.815 2.070 20 0 GEADMM Cc1onc(CC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nn[n-]n1 ZINC000826344077 609470018 /nfs/dbraw/zinc/47/00/18/609470018.db2.gz WMVQXPUUMYIVFC-UHFFFAOYSA-N -1 1 385.815 2.070 20 0 GEADMM Cc1onc(CC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826345375 609472367 /nfs/dbraw/zinc/47/23/67/609472367.db2.gz KCOOUDGDSFLBJH-CYBMUJFWSA-N -1 1 394.357 2.386 20 0 GEADMM Cc1onc(CC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826345375 609472369 /nfs/dbraw/zinc/47/23/69/609472369.db2.gz KCOOUDGDSFLBJH-CYBMUJFWSA-N -1 1 394.357 2.386 20 0 GEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824910714 609586417 /nfs/dbraw/zinc/58/64/17/609586417.db2.gz YGVPACIIESVGJZ-IUCAKERBSA-N -1 1 393.366 2.357 20 0 GEADMM CCC[C@@H]1C[C@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825251828 609624756 /nfs/dbraw/zinc/62/47/56/609624756.db2.gz DKEPYERBSRXBSI-CHWSQXEVSA-N -1 1 391.428 2.154 20 0 GEADMM C[C@]1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCS(=O)(=O)C1 ZINC000450981242 650077857 /nfs/dbraw/zinc/07/78/57/650077857.db2.gz PPOOHYHWXLHDGJ-ZDUSSCGKSA-N -1 1 379.912 2.410 20 0 GEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000451117377 650088472 /nfs/dbraw/zinc/08/84/72/650088472.db2.gz UGPJWOYLAYHWRM-UHFFFAOYSA-N -1 1 376.360 2.452 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2C)ccc1F ZINC000451118806 650088798 /nfs/dbraw/zinc/08/87/98/650088798.db2.gz YMPYPXMMNGUTLF-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM CCCCOCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451133098 650089358 /nfs/dbraw/zinc/08/93/58/650089358.db2.gz YLVNEDWTHXJUJG-UHFFFAOYSA-N -1 1 396.506 2.072 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C)c(F)c1 ZINC000451174868 650093283 /nfs/dbraw/zinc/09/32/83/650093283.db2.gz YXRKFEIEAWPKSN-BXUZGUMPSA-N -1 1 378.491 2.444 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CC2(C)C)c(F)c1 ZINC000451185235 650094279 /nfs/dbraw/zinc/09/42/79/650094279.db2.gz ANFSSVQRNBPQOQ-NSHDSACASA-N -1 1 378.491 2.302 20 0 GEADMM COC[C@@](C)([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)OC ZINC000451304738 650102271 /nfs/dbraw/zinc/10/22/71/650102271.db2.gz JHCOXPCNZKTPTN-CQSZACIVSA-N -1 1 377.871 2.411 20 0 GEADMM CCOC[C@H](C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000451347558 650106077 /nfs/dbraw/zinc/10/60/77/650106077.db2.gz GHYIUSWBLARBFI-HZMBPMFUSA-N -1 1 381.853 2.285 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CC)CSC)c(F)c1 ZINC000451368695 650107923 /nfs/dbraw/zinc/10/79/23/650107923.db2.gz PYWGKEVYJADRIN-LLVKDONJSA-N -1 1 398.547 2.397 20 0 GEADMM CO[C@@](C)(C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000451805824 650143929 /nfs/dbraw/zinc/14/39/29/650143929.db2.gz DOSMGPKNLIDPLJ-AWEZNQCLSA-N -1 1 377.388 2.279 20 0 GEADMM CCC1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)COC1 ZINC000451951477 650157005 /nfs/dbraw/zinc/15/70/05/650157005.db2.gz LOULPUJKVFFKIB-UHFFFAOYSA-N -1 1 382.265 2.485 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](COC)c2ccc(Cl)cc2)o1 ZINC000452743284 650195288 /nfs/dbraw/zinc/19/52/88/650195288.db2.gz ARPWYGWMHDQWBT-GFCCVEGCSA-N -1 1 386.857 2.001 20 0 GEADMM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000456180842 650332879 /nfs/dbraw/zinc/33/28/79/650332879.db2.gz CUMCEZQRNRSXTA-NSHDSACASA-N -1 1 376.272 2.194 20 0 GEADMM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(F)F ZINC000501435309 650391835 /nfs/dbraw/zinc/39/18/35/650391835.db2.gz NCLYILMODAJJJV-UHFFFAOYSA-N -1 1 388.230 2.408 20 0 GEADMM COC(=O)[C@]1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCSC1 ZINC000501484944 650393176 /nfs/dbraw/zinc/39/31/76/650393176.db2.gz QVYQCBYXOIYJSR-ZDUSSCGKSA-N -1 1 384.306 2.462 20 0 GEADMM COc1ccccc1-c1nc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)n[nH]1 ZINC000503535670 650419320 /nfs/dbraw/zinc/41/93/20/650419320.db2.gz QALYCCOBKZEORU-UHFFFAOYSA-N -1 1 378.435 2.198 20 0 GEADMM CN(C)S(=O)(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000460433674 650442585 /nfs/dbraw/zinc/44/25/85/650442585.db2.gz FAUDGBRLAXRVJO-UHFFFAOYSA-N -1 1 389.886 2.359 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3c2cccc3F)c(F)c1 ZINC000460765054 650445709 /nfs/dbraw/zinc/44/57/09/650445709.db2.gz ALFPCFJBHABCLR-UHFFFAOYSA-N -1 1 388.417 2.088 20 0 GEADMM Cc1ccc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Br ZINC000461114579 650449365 /nfs/dbraw/zinc/44/93/65/650449365.db2.gz SWJMFCCBQFFTCU-UHFFFAOYSA-N -1 1 381.255 2.214 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000461447876 650454073 /nfs/dbraw/zinc/45/40/73/650454073.db2.gz WUAJPCKMPQSAAD-INIZCTEOSA-N -1 1 378.475 2.269 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2COc3ccc(Cl)cc32)c1 ZINC000461449034 650454188 /nfs/dbraw/zinc/45/41/88/650454188.db2.gz RFTNGFVIRNIWDP-LBPRGKRZSA-N -1 1 382.825 2.068 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2oc(Br)cc2C)c1 ZINC000461459921 650454558 /nfs/dbraw/zinc/45/45/58/650454558.db2.gz HWJDHXGSXIMEOP-UHFFFAOYSA-N -1 1 389.227 2.217 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc3c2OCC3)c1 ZINC000461464946 650455073 /nfs/dbraw/zinc/45/50/73/650455073.db2.gz SBSIGKNUWFIIKD-UHFFFAOYSA-N -1 1 382.825 2.141 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1F)Nc1ccc(F)c(F)c1F ZINC000507501342 650461741 /nfs/dbraw/zinc/46/17/41/650461741.db2.gz DGHPZOWGROECSQ-UHFFFAOYSA-N -1 1 380.294 2.299 20 0 GEADMM CCn1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)cn1 ZINC000507604374 650464760 /nfs/dbraw/zinc/46/47/60/650464760.db2.gz KRRGKPROOLVHPD-UHFFFAOYSA-N -1 1 382.243 2.410 20 0 GEADMM COCCOC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000462397028 650477918 /nfs/dbraw/zinc/47/79/18/650477918.db2.gz LGIVRJJLIPQJHZ-QMMMGPOBSA-N -1 1 388.230 2.057 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000508809249 650483112 /nfs/dbraw/zinc/48/31/12/650483112.db2.gz CHICSLGKPDTGCP-SECBINFHSA-N -1 1 382.265 2.485 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H](n2cccn2)C1 ZINC000462890760 650492079 /nfs/dbraw/zinc/49/20/79/650492079.db2.gz XPYZIDXUXZXPLB-LLVKDONJSA-N -1 1 383.189 2.281 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@](C)(O)C1CC1 ZINC000509472578 650494200 /nfs/dbraw/zinc/49/42/00/650494200.db2.gz SGAFROXYNCHLDH-CQSZACIVSA-N -1 1 382.265 2.219 20 0 GEADMM CSc1ccc(S(=O)(=O)[N-]c2ccnc(C(=O)N(C)C)c2)cc1Cl ZINC000464421436 650496228 /nfs/dbraw/zinc/49/62/28/650496228.db2.gz UFPXARULERRTJP-UHFFFAOYSA-N -1 1 385.898 2.381 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000509942109 650503934 /nfs/dbraw/zinc/50/39/34/650503934.db2.gz GISWDFNOIYKINW-ZBFHGGJFSA-N -1 1 389.901 2.160 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1C ZINC000509719278 650499620 /nfs/dbraw/zinc/49/96/20/650499620.db2.gz LPUSVOBKMDBQQV-QPUJVOFHSA-N -1 1 382.265 2.483 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)C(C)C ZINC000509912327 650503201 /nfs/dbraw/zinc/50/32/01/650503201.db2.gz GQYWGMNCAAAVOS-LBPRGKRZSA-N -1 1 384.281 2.465 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](CCO)C(C)C ZINC000509912326 650503307 /nfs/dbraw/zinc/50/33/07/650503307.db2.gz GQYWGMNCAAAVOS-GFCCVEGCSA-N -1 1 384.281 2.465 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[C@@H](C)CO ZINC000510063086 650506124 /nfs/dbraw/zinc/50/61/24/650506124.db2.gz BMBGASAEODLGGI-SECBINFHSA-N -1 1 384.281 2.467 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)c1cn(C)c(C)n1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510561172 650514342 /nfs/dbraw/zinc/51/43/42/650514342.db2.gz UUOFQDHMBXZQOM-INIZCTEOSA-N -1 1 385.873 2.139 20 0 GEADMM C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000510656052 650516050 /nfs/dbraw/zinc/51/60/50/650516050.db2.gz DASVFKPUKUUSEK-QHCPKHFHSA-N -1 1 377.409 2.461 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)o1 ZINC000470755975 650517230 /nfs/dbraw/zinc/51/72/30/650517230.db2.gz OTTPEHRBMUDASX-UHFFFAOYSA-N -1 1 375.443 2.245 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)c1nnc(C)[nH]1 ZINC000511051594 650524384 /nfs/dbraw/zinc/52/43/84/650524384.db2.gz KYJAITKERWTFTN-ZCFIWIBFSA-N -1 1 393.252 2.246 20 0 GEADMM COCCn1cc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)cn1 ZINC000512432739 650548586 /nfs/dbraw/zinc/54/85/86/650548586.db2.gz STGHPROREAJNPS-AWEZNQCLSA-N -1 1 377.388 2.420 20 0 GEADMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476955789 650564293 /nfs/dbraw/zinc/56/42/93/650564293.db2.gz DTMIOFZWRSOMSC-RISCZKNCSA-N -1 1 378.491 2.396 20 0 GEADMM C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000476983829 650564949 /nfs/dbraw/zinc/56/49/49/650564949.db2.gz UMYONJNNSOWFDW-WCQYABFASA-N -1 1 378.491 2.396 20 0 GEADMM CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477178209 650570850 /nfs/dbraw/zinc/57/08/50/650570850.db2.gz PHGUQHCYWDQTRE-UHFFFAOYSA-N -1 1 390.433 2.157 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000477620037 650577051 /nfs/dbraw/zinc/57/70/51/650577051.db2.gz DRUWIZSIQXOCDL-SNVBAGLBSA-N -1 1 380.198 2.076 20 0 GEADMM COc1cc(Br)ccc1CCC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000478584499 650587869 /nfs/dbraw/zinc/58/78/69/650587869.db2.gz MTDPAGJZBGRFKB-SNVBAGLBSA-N -1 1 382.262 2.166 20 0 GEADMM O=C(NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000515314643 650591789 /nfs/dbraw/zinc/59/17/89/650591789.db2.gz ILOFLNQPIPBUQM-UHFFFAOYSA-N -1 1 390.795 2.032 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c1 ZINC000479152253 650597744 /nfs/dbraw/zinc/59/77/44/650597744.db2.gz IJYGITBHSCXDQU-CQSZACIVSA-N -1 1 381.372 2.491 20 0 GEADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000516672157 650600450 /nfs/dbraw/zinc/60/04/50/650600450.db2.gz SXDAYVRSZJZINK-UHFFFAOYSA-N -1 1 384.479 2.060 20 0 GEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000518778983 650607573 /nfs/dbraw/zinc/60/75/73/650607573.db2.gz XRAYJTQURLWUKT-UHFFFAOYSA-N -1 1 382.507 2.128 20 0 GEADMM Cc1nccc(CS(=O)(=O)c2nc(-c3ccccc3Br)n[n-]2)n1 ZINC000479633278 650607564 /nfs/dbraw/zinc/60/75/64/650607564.db2.gz DLTDFFDAURGCGB-UHFFFAOYSA-N -1 1 394.254 2.307 20 0 GEADMM Cc1nccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3Br)n2)n1 ZINC000479633278 650607566 /nfs/dbraw/zinc/60/75/66/650607566.db2.gz DLTDFFDAURGCGB-UHFFFAOYSA-N -1 1 394.254 2.307 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2C2CC2)c(F)c1 ZINC000520202268 650613653 /nfs/dbraw/zinc/61/36/53/650613653.db2.gz XWIUTMCTDITENN-JSGCOSHPSA-N -1 1 390.502 2.302 20 0 GEADMM C[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000480407559 650620907 /nfs/dbraw/zinc/62/09/07/650620907.db2.gz UHDNRHOWSASENB-LLVKDONJSA-N -1 1 392.253 2.027 20 0 GEADMM C[C@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000522008320 650621726 /nfs/dbraw/zinc/62/17/26/650621726.db2.gz NAJRANFCBODFLM-FZMZJTMJSA-N -1 1 390.299 2.408 20 0 GEADMM C[C@@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000522008321 650621760 /nfs/dbraw/zinc/62/17/60/650621760.db2.gz NAJRANFCBODFLM-RISCZKNCSA-N -1 1 390.299 2.408 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC=C(C)C)c(OC)c1 ZINC000480697813 650628682 /nfs/dbraw/zinc/62/86/82/650628682.db2.gz LRLZXAOBANMNFM-UHFFFAOYSA-N -1 1 390.527 2.482 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCc2cc(Br)ccc21 ZINC000480801589 650632833 /nfs/dbraw/zinc/63/28/33/650632833.db2.gz BOSPHDSEBBXNOB-CYBMUJFWSA-N -1 1 390.237 2.083 20 0 GEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000523731497 650637752 /nfs/dbraw/zinc/63/77/52/650637752.db2.gz QKVKBVRBKRCZMI-DEOSSOPVSA-N -1 1 381.475 2.081 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c1 ZINC000480964563 650638987 /nfs/dbraw/zinc/63/89/87/650638987.db2.gz RRZHPGQBGWHMBT-UHFFFAOYSA-N -1 1 379.312 2.285 20 0 GEADMM COc1cc(NC(=O)NCCc2csc(C)n2)ccc1[N-]S(C)(=O)=O ZINC000524621743 650644066 /nfs/dbraw/zinc/64/40/66/650644066.db2.gz NOKDYAGBYLHWGK-UHFFFAOYSA-N -1 1 384.483 2.196 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000481463082 650647056 /nfs/dbraw/zinc/64/70/56/650647056.db2.gz GEPULQAFTLYGSR-LLVKDONJSA-N -1 1 394.232 2.385 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000481480113 650647608 /nfs/dbraw/zinc/64/76/08/650647608.db2.gz MISCRWZJDYRZEC-AULYBMBSSA-N -1 1 383.857 2.464 20 0 GEADMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000525009283 650649288 /nfs/dbraw/zinc/64/92/88/650649288.db2.gz AWSXUXCXCZDDDJ-UHFFFAOYSA-N -1 1 386.520 2.388 20 0 GEADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cn1C ZINC000481991302 650657775 /nfs/dbraw/zinc/65/77/75/650657775.db2.gz RVEINNNZYJMMFI-UHFFFAOYSA-N -1 1 377.253 2.196 20 0 GEADMM CCN(Cc1ccccc1Br)C(=O)CNC(=O)c1ncccc1[O-] ZINC000482405944 650664823 /nfs/dbraw/zinc/66/48/23/650664823.db2.gz DJEIXFPIZACBEY-UHFFFAOYSA-N -1 1 392.253 2.328 20 0 GEADMM C[C@H](c1ccccc1Br)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000482431709 650665402 /nfs/dbraw/zinc/66/54/02/650665402.db2.gz BFDLWTXEZVJYCS-LLVKDONJSA-N -1 1 392.253 2.499 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C)c1nc(C(C)(C)C)no1 ZINC000528336550 650688959 /nfs/dbraw/zinc/68/89/59/650688959.db2.gz JRGKHYVCDJKJOV-ZETCQYMHSA-N -1 1 381.380 2.159 20 0 GEADMM O=S(=O)([N-]C[C@H](n1cccn1)C(F)(F)F)c1ccc(Cl)c2nonc21 ZINC000528450073 650694077 /nfs/dbraw/zinc/69/40/77/650694077.db2.gz HRIMPXHOTBAPEZ-VIFPVBQESA-N -1 1 395.750 2.155 20 0 GEADMM CC[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cc(F)cc(Br)c1 ZINC000485671863 650698666 /nfs/dbraw/zinc/69/86/66/650698666.db2.gz NWVDIJGEMFPPAA-LLVKDONJSA-N -1 1 394.204 2.200 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC1 ZINC000486011663 650705152 /nfs/dbraw/zinc/70/51/52/650705152.db2.gz ZYUZXWCRASMFLV-GFCCVEGCSA-N -1 1 396.690 2.474 20 0 GEADMM COCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1c[nH]nc1C ZINC000486729621 650720280 /nfs/dbraw/zinc/72/02/80/650720280.db2.gz APWCOVOGYWLOJN-UHFFFAOYSA-N -1 1 390.259 2.307 20 0 GEADMM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486893546 650724836 /nfs/dbraw/zinc/72/48/36/650724836.db2.gz DUWKPPDJZIDRHG-SKDRFNHKSA-N -1 1 392.253 2.347 20 0 GEADMM CCn1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCN(C)CC2)c1 ZINC000530873570 650730137 /nfs/dbraw/zinc/73/01/37/650730137.db2.gz VTYCHBQXPSLOFO-UHFFFAOYSA-N -1 1 383.905 2.109 20 0 GEADMM O=S(=O)([N-][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(F)c(F)c1F ZINC000531657738 650742342 /nfs/dbraw/zinc/74/23/42/650742342.db2.gz HDTUBQABPKTZGI-QWHCGFSZSA-N -1 1 378.416 2.026 20 0 GEADMM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000488243650 650743333 /nfs/dbraw/zinc/74/33/33/650743333.db2.gz NBAPNGVGHYWBST-UHFFFAOYSA-N -1 1 394.396 2.203 20 0 GEADMM Cc1ccc(CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]2CCCO2)c(Br)c1 ZINC000532446347 650747970 /nfs/dbraw/zinc/74/79/70/650747970.db2.gz JAQQYFYCSXNKJE-AWEZNQCLSA-N -1 1 395.301 2.361 20 0 GEADMM CCc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2)ncn1 ZINC000532495915 650748931 /nfs/dbraw/zinc/74/89/31/650748931.db2.gz VIRIDTZKLYCEEC-AWEZNQCLSA-N -1 1 381.527 2.060 20 0 GEADMM CS(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)CSc1ccc(Cl)cc1 ZINC000023687111 642413199 /nfs/dbraw/zinc/41/31/99/642413199.db2.gz DRNGZSVHKRAIED-UHFFFAOYSA-N -1 1 398.893 2.297 20 0 GEADMM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488884395 650751881 /nfs/dbraw/zinc/75/18/81/650751881.db2.gz IWYHPKHFKJOHHN-MRVPVSSYSA-N -1 1 380.214 2.291 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)o1 ZINC000031534776 642484320 /nfs/dbraw/zinc/48/43/20/642484320.db2.gz LHIMHPMVCVHMEM-UHFFFAOYSA-N -1 1 378.328 2.381 20 0 GEADMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000031555669 642485012 /nfs/dbraw/zinc/48/50/12/642485012.db2.gz KKHFZNYUEBLVBT-UHFFFAOYSA-N -1 1 383.405 2.463 20 0 GEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000031721268 642490118 /nfs/dbraw/zinc/49/01/18/642490118.db2.gz JFKHDESMOVXDSE-UHFFFAOYSA-N -1 1 393.650 2.207 20 0 GEADMM CC[C@@H](C)N(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)[O-] ZINC000037599346 642514773 /nfs/dbraw/zinc/51/47/73/642514773.db2.gz SIUFMSMDZRTIBY-LLVKDONJSA-N -1 1 378.288 2.408 20 0 GEADMM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066361 642524867 /nfs/dbraw/zinc/52/48/67/642524867.db2.gz LIRSDPWUEQIHKI-QMMMGPOBSA-N -1 1 379.667 2.061 20 0 GEADMM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)s1 ZINC000533801514 650765953 /nfs/dbraw/zinc/76/59/53/650765953.db2.gz KRMMTEOTYSTPSN-LURJTMIESA-N -1 1 382.223 2.411 20 0 GEADMM Cc1ccc(NC(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1F ZINC000042775663 642557097 /nfs/dbraw/zinc/55/70/97/642557097.db2.gz AEKVVROZTQHWSL-UHFFFAOYSA-N -1 1 386.426 2.363 20 0 GEADMM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000048401668 642649072 /nfs/dbraw/zinc/64/90/72/642649072.db2.gz GMSJDPYAAAOONU-UHFFFAOYSA-N -1 1 388.898 2.057 20 0 GEADMM CCOC(=O)N1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000048443951 642649938 /nfs/dbraw/zinc/64/99/38/642649938.db2.gz LYVWOZGFOFEPDZ-UHFFFAOYSA-N -1 1 397.316 2.410 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nc3cc(Cl)ccc3s2)co1 ZINC000534387710 650773627 /nfs/dbraw/zinc/77/36/27/650773627.db2.gz ZOPBPAXHUXMXAO-UHFFFAOYSA-N -1 1 385.854 2.381 20 0 GEADMM CN(CC(=O)N[N-]C(=O)c1cccs1)Cc1ccc(Br)s1 ZINC000050275093 642679659 /nfs/dbraw/zinc/67/96/59/642679659.db2.gz 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CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCC2 ZINC000376356899 647843383 /nfs/dbraw/zinc/84/33/83/647843383.db2.gz ZMRSYJGKIWADSK-WDEREUQCSA-N -1 1 392.319 2.117 20 0 GEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCC2 ZINC000376356898 647843450 /nfs/dbraw/zinc/84/34/50/647843450.db2.gz ZMRSYJGKIWADSK-QWRGUYRKSA-N -1 1 392.319 2.117 20 0 GEADMM CCn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)nn1 ZINC000404418533 647907266 /nfs/dbraw/zinc/90/72/66/647907266.db2.gz GPMVNYXVHKFKQX-UHFFFAOYSA-N -1 1 379.667 2.192 20 0 GEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1C ZINC000408026625 647918582 /nfs/dbraw/zinc/91/85/82/647918582.db2.gz ZODVOZZNDADXND-UHIISALHSA-N -1 1 378.491 2.300 20 0 GEADMM CN1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CCC1=O ZINC000408394305 647951213 /nfs/dbraw/zinc/95/12/13/647951213.db2.gz PDKMYXDAIWVFFH-LURJTMIESA-N -1 1 387.708 2.063 20 0 GEADMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410359817 648002393 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GEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(F)c1F ZINC000442841109 648850561 /nfs/dbraw/zinc/85/05/61/648850561.db2.gz FOIDTOTUYZVVMG-NSHDSACASA-N -1 1 377.359 2.373 20 0 GEADMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc(Cl)c1[O-] ZINC000443117926 648863289 /nfs/dbraw/zinc/86/32/89/648863289.db2.gz HSNWHMYWNKPSGW-UHFFFAOYSA-N -1 1 385.825 2.073 20 0 GEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C12CCCC2 ZINC000549372857 651096172 /nfs/dbraw/zinc/09/61/72/651096172.db2.gz VARUPPGGQPPPMU-NEPJUHHUSA-N -1 1 381.420 2.455 20 0 GEADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000553501917 651177933 /nfs/dbraw/zinc/17/79/33/651177933.db2.gz RXMWANBNHQIDTD-UHFFFAOYSA-N -1 1 377.394 2.040 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)C(C)C ZINC000553560511 651180887 /nfs/dbraw/zinc/18/08/87/651180887.db2.gz CIUXOTDPZNHBEL-SECBINFHSA-N -1 1 384.281 2.323 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)sc1C ZINC000555221723 651220775 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NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000560476722 651310906 /nfs/dbraw/zinc/31/09/06/651310906.db2.gz CVJQIFJCWPKZDW-CQSZACIVSA-N -1 1 378.837 2.461 20 0 GEADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000603324105 651481337 /nfs/dbraw/zinc/48/13/37/651481337.db2.gz QISBUVXDZHMMFM-ZJIFWQFVSA-N -1 1 387.885 2.054 20 0 GEADMM CCOc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1C(=O)[O-] ZINC000604857964 651524563 /nfs/dbraw/zinc/52/45/63/651524563.db2.gz XDYQNUCUJAOWEV-UHFFFAOYSA-N -1 1 375.353 2.046 20 0 GEADMM C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381536 651535881 /nfs/dbraw/zinc/53/58/81/651535881.db2.gz YUSZHFXEXIAFIY-SECBINFHSA-N -1 1 398.236 2.454 20 0 GEADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)cc1C ZINC000728185373 651539852 /nfs/dbraw/zinc/53/98/52/651539852.db2.gz PQARXIMLPUHNRN-UHFFFAOYSA-N -1 1 384.479 2.069 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1)c1ccc(Br)cc1 ZINC000563738987 651541817 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O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000663265856 652487543 /nfs/dbraw/zinc/48/75/43/652487543.db2.gz KLFIQCYUGCNNSF-OAHLLOKOSA-N -1 1 381.475 2.440 20 0 GEADMM O=C([O-])CC[C@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)C(F)(F)F ZINC000663293410 652489897 /nfs/dbraw/zinc/48/98/97/652489897.db2.gz GLLJOXAUJOZJRK-ZCFIWIBFSA-N -1 1 379.278 2.426 20 0 GEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccnc(OCCO)c3)cc(Cl)c2O1 ZINC000663301986 652492431 /nfs/dbraw/zinc/49/24/31/652492431.db2.gz WNWCAXYLKIJEBJ-JTQLQIEISA-N -1 1 384.841 2.230 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)co1 ZINC000756406654 652498124 /nfs/dbraw/zinc/49/81/24/652498124.db2.gz WKMIOFZZNHEYTK-VIFPVBQESA-N -1 1 386.813 2.025 20 0 GEADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)c1 ZINC000583844373 652499408 /nfs/dbraw/zinc/49/94/08/652499408.db2.gz FVDLJLWRQORPKJ-UHFFFAOYSA-N -1 1 384.841 2.151 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCC[C@@H]1CCO ZINC000583936688 652503060 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CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000866992362 653861519 /nfs/dbraw/zinc/86/15/19/653861519.db2.gz SXTCLZHXGBRCRQ-WHEQGISXSA-N -1 1 383.923 2.235 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1C(F)(F)F ZINC000867012883 653865568 /nfs/dbraw/zinc/86/55/68/653865568.db2.gz KRZAWSZMOKKBPZ-UFGOTCBOSA-N -1 1 379.404 2.065 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000823380480 653866234 /nfs/dbraw/zinc/86/62/34/653866234.db2.gz YTXZXUFFODZKFT-UHFFFAOYSA-N -1 1 378.801 2.390 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000823380480 653866237 /nfs/dbraw/zinc/86/62/37/653866237.db2.gz YTXZXUFFODZKFT-UHFFFAOYSA-N -1 1 378.801 2.390 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@@H]23)c1C(F)(F)F ZINC000867028143 653868451 /nfs/dbraw/zinc/86/84/51/653868451.db2.gz MVMYAPJLVUABQU-MRTMQBJTSA-N -1 1 387.474 2.097 20 0 GEADMM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C2 ZINC000867091405 653877521 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C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914388587 654850178 /nfs/dbraw/zinc/85/01/78/654850178.db2.gz YGJKEBKOTHOSPA-ZBJFTSOASA-N -1 1 382.251 2.202 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CC1(CCO)CC1 ZINC000914401264 654851607 /nfs/dbraw/zinc/85/16/07/654851607.db2.gz GSNSDEPYKFXOPS-QHCPKHFHSA-N -1 1 386.417 2.030 20 0 GEADMM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000914531269 654854929 /nfs/dbraw/zinc/85/49/29/654854929.db2.gz JRWHVICOTWPOLU-SSDOTTSWSA-N -1 1 383.396 2.408 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CCCOC(F)F ZINC000915310784 654868392 /nfs/dbraw/zinc/86/83/92/654868392.db2.gz WNRCQSQRBCRMRD-QHCPKHFHSA-N -1 1 396.359 2.497 20 0 GEADMM Cc1cc(I)cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000935037068 654872006 /nfs/dbraw/zinc/87/20/06/654872006.db2.gz MUYYWSCIGOOKLD-SNVBAGLBSA-N -1 1 397.220 2.133 20 0 GEADMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1occc1Br)c1cccnc1 ZINC000915879880 654881758 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Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O ZINC000008110946 531544694 /nfs/dbraw/zinc/54/46/94/531544694.db2.gz CBUCLGBXGPSRKB-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012651176 531551944 /nfs/dbraw/zinc/55/19/44/531551944.db2.gz KJROSFNONJSDTB-UHFFFAOYSA-N -1 1 394.254 2.440 20 0 GEADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000007053630 531535658 /nfs/dbraw/zinc/53/56/58/531535658.db2.gz VWWPWMZOQRPTHM-UHFFFAOYSA-N -1 1 381.262 2.442 20 0 GEADMM O=C(Nc1nc2ccccn2n1)c1ccc(I)c([O-])c1 ZINC000612850060 531557839 /nfs/dbraw/zinc/55/78/39/531557839.db2.gz HHMPCVVKUBWNFP-UHFFFAOYSA-N -1 1 380.145 2.292 20 0 GEADMM CN(CCOCC1CC1)C(=O)c1cc(I)ccc1[O-] ZINC000153404322 531598469 /nfs/dbraw/zinc/59/84/69/531598469.db2.gz YHGOHPJOOINSBR-UHFFFAOYSA-N -1 1 375.206 2.495 20 0 GEADMM CCc1nsc(N2CCN(C(=O)c3cc(Cl)c([O-])c(OC)c3)CC2)n1 ZINC000153915017 531613054 /nfs/dbraw/zinc/61/30/54/531613054.db2.gz VYUPGPUKJZTYDG-UHFFFAOYSA-N -1 1 382.873 2.431 20 0 GEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000026164448 531617828 /nfs/dbraw/zinc/61/78/28/531617828.db2.gz ZRDUXYMBOSXELA-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM O=C1CNC(=O)N1Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000031719861 531646033 /nfs/dbraw/zinc/64/60/33/531646033.db2.gz KBQXDJRXAUZHON-UHFFFAOYSA-N -1 1 379.825 2.193 20 0 GEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c(F)c1 ZINC000032085118 531647787 /nfs/dbraw/zinc/64/77/87/531647787.db2.gz CQCRDSLBAQAFJW-UHFFFAOYSA-N -1 1 385.804 2.337 20 0 GEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000032588419 531652970 /nfs/dbraw/zinc/65/29/70/531652970.db2.gz NALFJTNYUXMFEM-UHFFFAOYSA-N -1 1 390.870 2.058 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Br)cc2)o1 ZINC000032681105 531654552 /nfs/dbraw/zinc/65/45/52/531654552.db2.gz BDALIEQRUTXKKJ-UHFFFAOYSA-N -1 1 387.255 2.222 20 0 GEADMM O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccc(Br)c([O-])c1 ZINC000155538753 531688813 /nfs/dbraw/zinc/68/88/13/531688813.db2.gz RFZNRQBZHVALNZ-LBPRGKRZSA-N -1 1 390.237 2.194 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1F ZINC000055557991 531794139 /nfs/dbraw/zinc/79/41/39/531794139.db2.gz QDGQEORUEVNMIJ-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000055555436 531794214 /nfs/dbraw/zinc/79/42/14/531794214.db2.gz OANMECUNUBBYHM-UHFFFAOYSA-N -1 1 385.463 2.298 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1NS(C)(=O)=O ZINC000064373959 531864785 /nfs/dbraw/zinc/86/47/85/531864785.db2.gz SUNYAQDPOSJCSP-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM COC(=O)CCCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000069044140 531909071 /nfs/dbraw/zinc/90/90/71/531909071.db2.gz SBFYNBGWJVEJFD-UHFFFAOYSA-N -1 1 385.667 2.119 20 0 GEADMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000078496333 531920488 /nfs/dbraw/zinc/92/04/88/531920488.db2.gz CNXMSYLJAXIOGI-NSHDSACASA-N -1 1 382.251 2.454 20 0 GEADMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000112117020 531944399 /nfs/dbraw/zinc/94/43/99/531944399.db2.gz LGYLPMZEFJBOGI-SECBINFHSA-N -1 1 381.148 2.048 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2cnn(CC(F)(F)F)c2)c(=O)[n-]1 ZINC000172341848 531947213 /nfs/dbraw/zinc/94/72/13/531947213.db2.gz IVDQWKBCDCJHBM-UHFFFAOYSA-N -1 1 375.376 2.130 20 0 GEADMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000116712479 531960970 /nfs/dbraw/zinc/96/09/70/531960970.db2.gz SCZYYVOEICMOSS-DEOSSOPVSA-N -1 1 378.475 2.169 20 0 GEADMM C[C@H](CO)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000120708006 531990005 /nfs/dbraw/zinc/99/00/05/531990005.db2.gz QBUWTDQIZHGYRC-LBPRGKRZSA-N -1 1 382.869 2.499 20 0 GEADMM Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(Br)cc3[O-])C2)cn1 ZINC000173467495 532013064 /nfs/dbraw/zinc/01/30/64/532013064.db2.gz WFQBCAJXVBPOMG-GFCCVEGCSA-N -1 1 379.258 2.287 20 0 GEADMM CN(CCO)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000121177408 532016900 /nfs/dbraw/zinc/01/69/00/532016900.db2.gz FUQRAIVYGQFOMH-UHFFFAOYSA-N -1 1 386.832 2.344 20 0 GEADMM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000122282254 532064820 /nfs/dbraw/zinc/06/48/20/532064820.db2.gz UHSCUOKXPZRSJN-VXGBXAGGSA-N -1 1 378.491 2.444 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2I)cn1 ZINC000174766266 532078428 /nfs/dbraw/zinc/07/84/28/532078428.db2.gz UBIGRHZEIKMFTM-UHFFFAOYSA-N -1 1 399.160 2.104 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000174758734 532077443 /nfs/dbraw/zinc/07/74/43/532077443.db2.gz WQFUFAAKFAECGS-UHFFFAOYSA-N -1 1 394.396 2.240 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1C(F)(F)F ZINC000174757008 532077454 /nfs/dbraw/zinc/07/74/54/532077454.db2.gz JETFSYRQFMCDNX-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[S@](C)=O ZINC000123962425 532111988 /nfs/dbraw/zinc/11/19/88/532111988.db2.gz YVBSCENKHDZTGU-ZDVLTJLQSA-N -1 1 390.271 2.163 20 0 GEADMM C[C@H](CN(C)C(=O)Cc1c[nH]c2cccc(Br)c12)c1nn[n-]n1 ZINC000124064527 532113756 /nfs/dbraw/zinc/11/37/56/532113756.db2.gz IVFVLELIULGEQJ-SECBINFHSA-N -1 1 377.246 2.248 20 0 GEADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc(I)ccc1[O-] ZINC000175772310 532114248 /nfs/dbraw/zinc/11/42/48/532114248.db2.gz PXIQALARWDVWRK-KOLCDFICSA-N -1 1 375.206 2.278 20 0 GEADMM CCOc1c(Br)cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1OC ZINC000124633356 532126537 /nfs/dbraw/zinc/12/65/37/532126537.db2.gz LGINSXNTFDDRQM-VIFPVBQESA-N -1 1 398.261 2.245 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1nn[n-]n1 ZINC000176767783 532149524 /nfs/dbraw/zinc/14/95/24/532149524.db2.gz SOROLUAIAGPLBG-SNVBAGLBSA-N -1 1 382.218 2.005 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2Br)co1 ZINC000128522615 532165332 /nfs/dbraw/zinc/16/53/32/532165332.db2.gz JEIWCYZZWYBLFI-UHFFFAOYSA-N -1 1 389.227 2.211 20 0 GEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)C[C@H](O)c2cccs2)c(=O)[n-]1 ZINC000132556309 532217542 /nfs/dbraw/zinc/21/75/42/532217542.db2.gz AYBDJZIVXJBHFA-MFKMUULPSA-N -1 1 381.523 2.423 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl ZINC000133224467 532229342 /nfs/dbraw/zinc/22/93/42/532229342.db2.gz FSKJLWGCNDUUEH-GFCCVEGCSA-N -1 1 384.864 2.464 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000179537397 532234304 /nfs/dbraw/zinc/23/43/04/532234304.db2.gz WAEWIXHZMTWMMG-UHFFFAOYSA-N -1 1 389.202 2.194 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c1 ZINC000179246532 532226676 /nfs/dbraw/zinc/22/66/76/532226676.db2.gz OUNXTBIMPFVMFG-UHFFFAOYSA-N -1 1 388.239 2.350 20 0 GEADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1F ZINC000135354541 532271613 /nfs/dbraw/zinc/27/16/13/532271613.db2.gz MZTAZZRDBNXRCD-UHFFFAOYSA-N -1 1 398.359 2.415 20 0 GEADMM O=C(NCC(F)(F)F)c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000150841309 532302977 /nfs/dbraw/zinc/30/29/77/532302977.db2.gz SXPIQAAMJBNULR-CYBMUJFWSA-N -1 1 380.388 2.290 20 0 GEADMM O=C(NC[C@H](O)COc1ccccc1Br)c1cc(F)ccc1[O-] ZINC000150994046 532305603 /nfs/dbraw/zinc/30/56/03/532305603.db2.gz AZGYPLJCDTZTGY-NSHDSACASA-N -1 1 384.201 2.464 20 0 GEADMM C[C@@H](CN(C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1nn[n-]n1 ZINC000183404502 532324851 /nfs/dbraw/zinc/32/48/51/532324851.db2.gz XYLSCOPDZGCEIJ-ZETCQYMHSA-N -1 1 381.209 2.458 20 0 GEADMM O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc(Br)ccc1[O-] ZINC000183118215 532321764 /nfs/dbraw/zinc/32/17/64/532321764.db2.gz CBEBWBKSZWCVMJ-CQSZACIVSA-N -1 1 390.237 2.475 20 0 GEADMM CCC[C@H](NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000185063121 532336695 /nfs/dbraw/zinc/33/66/95/532336695.db2.gz TYSQNHUKGCHWHH-NSHDSACASA-N -1 1 376.194 2.073 20 0 GEADMM COC(=O)[C@H]1CCCCN1C(=O)c1cc(I)ccc1[O-] ZINC000189001662 532350526 /nfs/dbraw/zinc/35/05/26/532350526.db2.gz COPRRJZHCVEFRN-LLVKDONJSA-N -1 1 389.189 2.165 20 0 GEADMM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000189724094 532353492 /nfs/dbraw/zinc/35/34/92/532353492.db2.gz XOUMJVKKJGUNDB-KOLCDFICSA-N -1 1 375.206 2.372 20 0 GEADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000189914448 532354087 /nfs/dbraw/zinc/35/40/87/532354087.db2.gz HNGPSCZJSMUCJP-LLVKDONJSA-N -1 1 398.204 2.103 20 0 GEADMM O=S(=O)([N-]CC1(O)Cc2ccccc2C1)c1sccc1Br ZINC000372147897 532375295 /nfs/dbraw/zinc/37/52/95/532375295.db2.gz ARQDAFWMYPODAU-UHFFFAOYSA-N -1 1 388.308 2.319 20 0 GEADMM CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000463679419 532379302 /nfs/dbraw/zinc/37/93/02/532379302.db2.gz APNFMNLMVSFCSP-UHFFFAOYSA-N -1 1 375.435 2.007 20 0 GEADMM CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000463679419 532379308 /nfs/dbraw/zinc/37/93/08/532379308.db2.gz APNFMNLMVSFCSP-UHFFFAOYSA-N -1 1 375.435 2.007 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnc1C ZINC000427135892 532412806 /nfs/dbraw/zinc/41/28/06/532412806.db2.gz GSHHZHRATOXAMG-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM CCCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000560083280 532414528 /nfs/dbraw/zinc/41/45/28/532414528.db2.gz JDJQWKPZDLLGTE-UHFFFAOYSA-N -1 1 378.516 2.268 20 0 GEADMM C[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)n1cc(Br)cn1 ZINC000649210073 532416762 /nfs/dbraw/zinc/41/67/62/532416762.db2.gz IWVAWGRDRMCXOF-IINYFYTJSA-N -1 1 390.245 2.016 20 0 GEADMM C[C@@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1)n1cc(Br)cn1 ZINC000649210072 532416245 /nfs/dbraw/zinc/41/62/45/532416245.db2.gz IWVAWGRDRMCXOF-HZMBPMFUSA-N -1 1 390.245 2.016 20 0 GEADMM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)CO2 ZINC000625350206 532420173 /nfs/dbraw/zinc/42/01/73/532420173.db2.gz RCOOUYBNZMZYQY-SNVBAGLBSA-N -1 1 375.372 2.029 20 0 GEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2C)c1 ZINC000649687651 532422720 /nfs/dbraw/zinc/42/27/20/532422720.db2.gz DCTSFHZXTMFUHY-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC1 ZINC000625371813 532422901 /nfs/dbraw/zinc/42/29/01/532422901.db2.gz WWEBFJKCDVEVPJ-BPLDGKMQSA-N -1 1 379.400 2.265 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)o1 ZINC000373000439 532425495 /nfs/dbraw/zinc/42/54/95/532425495.db2.gz HZNZRWHHLSJPLT-NSHDSACASA-N -1 1 383.495 2.145 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000560831464 532425894 /nfs/dbraw/zinc/42/58/94/532425894.db2.gz VMPOKFWTSBGORN-UHFFFAOYSA-N -1 1 376.312 2.191 20 0 GEADMM CC(C)(CCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F)S(C)(=O)=O ZINC000625425915 532428164 /nfs/dbraw/zinc/42/81/64/532428164.db2.gz SBYNDBJCBOWKGP-CQSZACIVSA-N -1 1 397.509 2.386 20 0 GEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)n[nH]1 ZINC000681363455 532428399 /nfs/dbraw/zinc/42/83/99/532428399.db2.gz KBWHRMJGIIOIJC-UHFFFAOYSA-N -1 1 395.238 2.225 20 0 GEADMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000625454394 532429348 /nfs/dbraw/zinc/42/93/48/532429348.db2.gz ZTCPKFCBBGZKJU-UHFFFAOYSA-N -1 1 384.832 2.374 20 0 GEADMM CSc1nnc(C[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)s1 ZINC000561123351 532430243 /nfs/dbraw/zinc/43/02/43/532430243.db2.gz LVUWRDHKJZDAMU-UHFFFAOYSA-N -1 1 383.480 2.152 20 0 GEADMM Cc1cc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)ccc1F ZINC000517887313 532430756 /nfs/dbraw/zinc/43/07/56/532430756.db2.gz XKSVFUGELKAUDY-UHFFFAOYSA-N -1 1 390.433 2.123 20 0 GEADMM CCS(=O)(=O)c1ccccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281821415 532436108 /nfs/dbraw/zinc/43/61/08/532436108.db2.gz KEUKLLKYEGGELW-UHFFFAOYSA-N -1 1 378.416 2.375 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1ccc(Cl)c(F)c1 ZINC000592042119 532436919 /nfs/dbraw/zinc/43/69/19/532436919.db2.gz YGVUWPAZBHZBMS-KGLIPLIRSA-N -1 1 381.853 2.284 20 0 GEADMM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000467086616 532438509 /nfs/dbraw/zinc/43/85/09/532438509.db2.gz VPHFCNNULSROLO-GFCCVEGCSA-N -1 1 390.310 2.426 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ncn(C)n1 ZINC000282218269 532447552 /nfs/dbraw/zinc/44/75/52/532447552.db2.gz ACLMDJWOIWJKGP-ZETCQYMHSA-N -1 1 379.667 2.271 20 0 GEADMM CS[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000295499198 532452939 /nfs/dbraw/zinc/45/29/39/532452939.db2.gz GAZWNWNKQAHSPI-SECBINFHSA-N -1 1 383.322 2.236 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@H](O)C(F)F ZINC000295494367 532453815 /nfs/dbraw/zinc/45/38/15/532453815.db2.gz BBJIZPWYVKJJSK-WPRPVWTQSA-N -1 1 376.194 2.271 20 0 GEADMM Cc1nc([C@](C)([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C2CC2)no1 ZINC000562406238 532465171 /nfs/dbraw/zinc/46/51/71/532465171.db2.gz JFJYRQOJKNAUOK-CYBMUJFWSA-N -1 1 376.360 2.396 20 0 GEADMM Cc1ncsc1CCS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000295624783 532465213 /nfs/dbraw/zinc/46/52/13/532465213.db2.gz OPXLMZJKVUFXFP-AWEZNQCLSA-N -1 1 394.440 2.364 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 ZINC000468429525 532465876 /nfs/dbraw/zinc/46/58/76/532465876.db2.gz VOLDMHWQCSKTCJ-INIZCTEOSA-N -1 1 381.226 2.015 20 0 GEADMM O=C1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)N1 ZINC000683951792 532468813 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20 0 GEADMM COC(=O)[C@H](CNC(=O)c1ccc(Br)cc1[O-])C1CCOCC1 ZINC000436554643 532636430 /nfs/dbraw/zinc/63/64/30/532636430.db2.gz GSUXZMNLBREXGR-CYBMUJFWSA-N -1 1 386.242 2.100 20 0 GEADMM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656882598 532638491 /nfs/dbraw/zinc/63/84/91/532638491.db2.gz SFIKKFKGOHNQTQ-YFKPBYRVSA-N -1 1 390.086 2.169 20 0 GEADMM O=C(NCCc1nnnn1-c1ccccc1)c1ccc(Br)cc1[O-] ZINC000436648973 532639240 /nfs/dbraw/zinc/63/92/40/532639240.db2.gz PQPXNANCDNQDQH-UHFFFAOYSA-N -1 1 388.225 2.103 20 0 GEADMM O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)c1ccc([O-])cc1F ZINC000436753436 532643580 /nfs/dbraw/zinc/64/35/80/532643580.db2.gz UMQXWFZWKGKILD-AWEZNQCLSA-N -1 1 379.185 2.439 20 0 GEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000263848059 532645819 /nfs/dbraw/zinc/64/58/19/532645819.db2.gz LZRIERWSWPTNHX-UHFFFAOYSA-N -1 1 384.479 2.314 20 0 GEADMM O=C(CCc1nn[n-]n1)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000633206636 532662624 /nfs/dbraw/zinc/66/26/24/532662624.db2.gz IXVQIOFBMRBRQU-UHFFFAOYSA-N -1 1 384.665 2.396 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)o1 ZINC000533698417 532665404 /nfs/dbraw/zinc/66/54/04/532665404.db2.gz AQXNJBPRJVOWTD-APXPCNQMSA-N -1 1 385.463 2.233 20 0 GEADMM O=C([O-])C[C@@H](NS(=O)(=O)CCN1CCCC1)c1ccc(Cl)c(F)c1 ZINC000567810142 532665854 /nfs/dbraw/zinc/66/58/54/532665854.db2.gz MXQXKKWOBWPQIE-CQSZACIVSA-N -1 1 378.853 2.010 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2sc(C)nc2C)c1F ZINC000599242709 532655758 /nfs/dbraw/zinc/65/57/58/532655758.db2.gz QDSPXURSHWZUSJ-UHFFFAOYSA-N -1 1 376.406 2.303 20 0 GEADMM Cc1noc(CCC[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)n1 ZINC000264072017 532659534 /nfs/dbraw/zinc/65/95/34/532659534.db2.gz MJPBXJDQBMWOIQ-UHFFFAOYSA-N -1 1 396.213 2.330 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2scnc2C2CC2)cc2c1OCCO2 ZINC000535687018 532685867 /nfs/dbraw/zinc/68/58/67/532685867.db2.gz UOGWEWBNPSADRG-UHFFFAOYSA-N -1 1 382.419 2.291 20 0 GEADMM CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482546314 532672398 /nfs/dbraw/zinc/67/23/98/532672398.db2.gz ALNWCEURYDUINK-BXKDBHETSA-N -1 1 393.303 2.366 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(C)C)c(OC)c1 ZINC000534880579 532673426 /nfs/dbraw/zinc/67/34/26/532673426.db2.gz UFJDXYNSOKUMCS-UHFFFAOYSA-N -1 1 378.516 2.123 20 0 GEADMM O=C(Cc1cc(Cl)ccc1Br)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298842524 532678371 /nfs/dbraw/zinc/67/83/71/532678371.db2.gz DNQQFONXSLNKTB-SECBINFHSA-N -1 1 399.676 2.463 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cs1 ZINC000298848537 532679103 /nfs/dbraw/zinc/67/91/03/532679103.db2.gz JULHHNTYHVMMOI-UHFFFAOYSA-N -1 1 380.447 2.483 20 0 GEADMM C[C@@]1(CC[N-]S(=O)(=O)c2cnn3cc(Br)cnc23)CC1(F)F ZINC000641610231 532702757 /nfs/dbraw/zinc/70/27/57/532702757.db2.gz QNJRQGOWYHLWAN-LLVKDONJSA-N -1 1 395.229 2.206 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H](C)C1 ZINC000606908826 532703673 /nfs/dbraw/zinc/70/36/73/532703673.db2.gz BKVGEXIJASNGBR-PJXYFTJBSA-N -1 1 378.491 2.300 20 0 GEADMM Cc1cc(CN2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)on1 ZINC000299294056 532707929 /nfs/dbraw/zinc/70/79/29/532707929.db2.gz BZIQWWAIZWUBCR-UHFFFAOYSA-N -1 1 380.242 2.409 20 0 GEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1 ZINC000392181953 532708504 /nfs/dbraw/zinc/70/85/04/532708504.db2.gz CPDPKQJWCADAQM-UHFFFAOYSA-N -1 1 382.463 2.452 20 0 GEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c1 ZINC000609730614 532718252 /nfs/dbraw/zinc/71/82/52/532718252.db2.gz ZCCQYAVNHIGRNT-XMMPIXPASA-N -1 1 381.475 2.461 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1 ZINC000609730471 532718381 /nfs/dbraw/zinc/71/83/81/532718381.db2.gz MSWZFSCDFIGJPJ-DEOSSOPVSA-N -1 1 381.475 2.461 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000266976579 532731398 /nfs/dbraw/zinc/73/13/98/532731398.db2.gz NYTDSBDXDRDMHV-UHFFFAOYSA-N -1 1 380.857 2.026 20 0 GEADMM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)[n-]c(=O)c1C ZINC000540716478 532743556 /nfs/dbraw/zinc/74/35/56/532743556.db2.gz UETLUEHSVJTMQL-LLVKDONJSA-N -1 1 381.479 2.322 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@H]1C(F)(F)F ZINC000615029088 532745272 /nfs/dbraw/zinc/74/52/72/532745272.db2.gz FFLPEGXFCIASOU-VIFPVBQESA-N -1 1 391.198 2.435 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCOC[C@@H]1CC(F)F ZINC000286659931 532760960 /nfs/dbraw/zinc/76/09/60/532760960.db2.gz HAAFPGVHHMZEMO-VIFPVBQESA-N -1 1 397.159 2.493 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccc(C)o1 ZINC000286478256 532750195 /nfs/dbraw/zinc/75/01/95/532750195.db2.gz ABPHVQIMACCQDP-SNVBAGLBSA-N -1 1 392.275 2.058 20 0 GEADMM Cn1nccc1S(=O)(=O)[N-]c1cc(I)ccc1Cl ZINC000310665520 532777034 /nfs/dbraw/zinc/77/70/34/532777034.db2.gz AHQXUYGBSISEJI-UHFFFAOYSA-N -1 1 397.625 2.479 20 0 GEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000269262425 532778601 /nfs/dbraw/zinc/77/86/01/532778601.db2.gz 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CCc1c([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)onc1C(F)(F)F ZINC000287872398 532811810 /nfs/dbraw/zinc/81/18/10/532811810.db2.gz NAKXXKPYFXTNQF-UHFFFAOYSA-N -1 1 381.332 2.351 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(Br)o1 ZINC000272478608 532815652 /nfs/dbraw/zinc/81/56/52/532815652.db2.gz YIYFYAPJANDQLV-SECBINFHSA-N -1 1 396.259 2.066 20 0 GEADMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000288161010 532819248 /nfs/dbraw/zinc/81/92/48/532819248.db2.gz OFRTXWNBDZHZES-VHSXEESVSA-N -1 1 382.349 2.444 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c(Br)n1C ZINC000288231426 532821227 /nfs/dbraw/zinc/82/12/27/532821227.db2.gz RWKSZQCBVDXELH-UHFFFAOYSA-N -1 1 388.287 2.108 20 0 GEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c(S(C)(=O)=O)c1 ZINC000414397391 532824641 /nfs/dbraw/zinc/82/46/41/532824641.db2.gz OYWAIRVDXWSAGY-UHFFFAOYSA-N -1 1 385.463 2.046 20 0 GEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000288493184 532829135 /nfs/dbraw/zinc/82/91/35/532829135.db2.gz 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380.264 2.481 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)sc1C ZINC000289631469 532861274 /nfs/dbraw/zinc/86/12/74/532861274.db2.gz RZOXWJHQNWSEML-NSHDSACASA-N -1 1 384.445 2.444 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000416139129 532864928 /nfs/dbraw/zinc/86/49/28/532864928.db2.gz PKTYPTZOKMTTRN-MRVPVSSYSA-N -1 1 382.214 2.492 20 0 GEADMM CCN(Cc1ccccc1Br)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416141104 532864969 /nfs/dbraw/zinc/86/49/69/532864969.db2.gz YMEXWGIGFONWDK-UHFFFAOYSA-N -1 1 382.214 2.321 20 0 GEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000289895244 532867213 /nfs/dbraw/zinc/86/72/13/532867213.db2.gz PHJKEJVCZDJDSS-CYBMUJFWSA-N -1 1 383.388 2.007 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000416240966 532868332 /nfs/dbraw/zinc/86/83/32/532868332.db2.gz CKWOWFUGNHJVSI-JTQLQIEISA-N -1 1 394.225 2.289 20 0 GEADMM CCn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cn1 ZINC000275292793 532871441 /nfs/dbraw/zinc/87/14/41/532871441.db2.gz LXEGOMDCGKGAJQ-DZGCQCFKSA-N -1 1 375.372 2.129 20 0 GEADMM C[C@H]1[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCS1(=O)=O ZINC000333688749 532872020 /nfs/dbraw/zinc/87/20/20/532872020.db2.gz MFLGLFPOFLBMDG-WPRPVWTQSA-N -1 1 379.912 2.409 20 0 GEADMM NC(=O)C[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290258678 532876302 /nfs/dbraw/zinc/87/63/02/532876302.db2.gz CJGABQXEPPQBLV-SNVBAGLBSA-N -1 1 392.253 2.431 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000333965372 532876650 /nfs/dbraw/zinc/87/66/50/532876650.db2.gz PXFNLUUKPRLZMS-OAHLLOKOSA-N -1 1 388.283 2.196 20 0 GEADMM CC(C)N(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349520363 532882077 /nfs/dbraw/zinc/88/20/77/532882077.db2.gz RERXJPJRLCCEMP-UHFFFAOYSA-N -1 1 389.543 2.196 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1ccc(F)c(C)c1 ZINC000420687998 532885390 /nfs/dbraw/zinc/88/53/90/532885390.db2.gz KPGWGDQLJYGNKP-GOEBONIOSA-N -1 1 375.462 2.329 20 0 GEADMM COCCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290801240 532889971 /nfs/dbraw/zinc/88/99/71/532889971.db2.gz ULVFDHINVFEPKO-UHFFFAOYSA-N -1 1 397.324 2.451 20 0 GEADMM CC[C@H](CS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)OC ZINC000421139200 532888128 /nfs/dbraw/zinc/88/81/28/532888128.db2.gz JXWTVUCUCSRFRF-OAHLLOKOSA-N -1 1 390.527 2.028 20 0 GEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000421136614 532888261 /nfs/dbraw/zinc/88/82/61/532888261.db2.gz DTBRVARGSLNHOU-CQSZACIVSA-N -1 1 392.543 2.048 20 0 GEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)OC)c1)OC ZINC000421146636 532888874 /nfs/dbraw/zinc/88/88/74/532888874.db2.gz FCLJRHNLCBTCJO-JTQLQIEISA-N -1 1 380.260 2.402 20 0 GEADMM C[C@@H]1COCC[C@H]1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290884277 532891805 /nfs/dbraw/zinc/89/18/05/532891805.db2.gz KYRUZEFTMPUDDB-MNOVXSKESA-N -1 1 395.308 2.061 20 0 GEADMM C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291054973 532895812 /nfs/dbraw/zinc/89/58/12/532895812.db2.gz HKARCPNFBNOCAG-VXGBXAGGSA-N -1 1 375.416 2.479 20 0 GEADMM C[C@@H](CCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291600659 532904849 /nfs/dbraw/zinc/90/48/49/532904849.db2.gz COHBRKVCXFXUJV-NSHDSACASA-N -1 1 385.477 2.071 20 0 GEADMM CN(C(=O)c1cc(I)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000276976098 532905018 /nfs/dbraw/zinc/90/50/18/532905018.db2.gz RLQBWRJWQNYOFL-XYPYZODXSA-N -1 1 375.206 2.372 20 0 GEADMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291641193 532906067 /nfs/dbraw/zinc/90/60/67/532906067.db2.gz IUBGZBNSAQYLPW-MNOVXSKESA-N -1 1 395.253 2.315 20 0 GEADMM Cc1nnc([C@@H](NC(=O)CSc2n[nH]c(=S)s2)c2ccccc2)[nH]1 ZINC000365811490 532912037 /nfs/dbraw/zinc/91/20/37/532912037.db2.gz DGMHJBSLCCCABQ-NSHDSACASA-N -1 1 378.508 2.251 20 0 GEADMM C[NH+](C)C[C@@H]1CN(C(=O)CSc2n[nH]c(=S)s2)c2ccccc2O1 ZINC000366170923 532914899 /nfs/dbraw/zinc/91/48/99/532914899.db2.gz HSTIIZBVEBNTIO-SNVBAGLBSA-N -1 1 382.536 2.275 20 0 GEADMM COCC1(C[N-]S(=O)(=O)c2sccc2Br)CCOCC1 ZINC000292381337 532915680 /nfs/dbraw/zinc/91/56/80/532915680.db2.gz RMWQMCIAOBZKQA-UHFFFAOYSA-N -1 1 384.317 2.232 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)c1 ZINC000292761869 532918016 /nfs/dbraw/zinc/91/80/16/532918016.db2.gz PLZDJVQLPBEGMN-UHFFFAOYSA-N -1 1 378.328 2.001 20 0 GEADMM Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(Br)c1 ZINC000366732286 532920775 /nfs/dbraw/zinc/92/07/75/532920775.db2.gz MVEFCYXPWSDVNX-RYUDHWBXSA-N -1 1 394.273 2.444 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000293226731 532923676 /nfs/dbraw/zinc/92/36/76/532923676.db2.gz VUEVAZANRHWBOG-NSHDSACASA-N -1 1 397.806 2.494 20 0 GEADMM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C2 ZINC000293259125 532924344 /nfs/dbraw/zinc/92/43/44/532924344.db2.gz XIWGDEWMLMXRNB-NSHDSACASA-N -1 1 375.372 2.029 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c(C(F)(F)F)n1 ZINC000293547954 532928567 /nfs/dbraw/zinc/92/85/67/532928567.db2.gz QWYLAVHEULFNPX-JTQLQIEISA-N -1 1 379.335 2.380 20 0 GEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000293597718 532929339 /nfs/dbraw/zinc/92/93/39/532929339.db2.gz UWJVVYBZYZEGHV-SNVBAGLBSA-N -1 1 385.408 2.084 20 0 GEADMM CCc1csc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)n1 ZINC000368485786 532932771 /nfs/dbraw/zinc/93/27/71/532932771.db2.gz XNGACRWLWZSKJV-CQSZACIVSA-N -1 1 380.836 2.459 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)co1 ZINC000369511918 532939804 /nfs/dbraw/zinc/93/98/04/532939804.db2.gz VFKPSCBEHRHUFW-NSHDSACASA-N -1 1 383.495 2.145 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CCCN1C(=O)c1ccco1 ZINC000370475717 532943662 /nfs/dbraw/zinc/94/36/62/532943662.db2.gz JEEMQAILYOTAGH-SECBINFHSA-N -1 1 380.198 2.386 20 0 GEADMM CN(C)c1cc2c(nn1)CCN(C(=O)c1ccc(Br)cc1[O-])C2 ZINC000370877705 532945904 /nfs/dbraw/zinc/94/59/04/532945904.db2.gz UZVYQYSLNXRGAZ-UHFFFAOYSA-N -1 1 377.242 2.209 20 0 GEADMM Cc1c2cc(Br)ccc2oc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370892562 532945950 /nfs/dbraw/zinc/94/59/50/532945950.db2.gz PYMZOTNHPAWQTJ-GFCCVEGCSA-N -1 1 392.213 2.231 20 0 GEADMM Cc1c2cccc(Br)c2oc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000371699322 532949383 /nfs/dbraw/zinc/94/93/83/532949383.db2.gz FVQKEPKPKMAKLD-NSHDSACASA-N -1 1 392.213 2.231 20 0 GEADMM O=C(CCN1CCCC1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737842955 598834443 /nfs/dbraw/zinc/83/44/43/598834443.db2.gz FZRQMNJYAZACIV-UHFFFAOYSA-N -1 1 396.476 2.224 20 0 GEADMM CCN1C[C@H](C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000736565918 598835571 /nfs/dbraw/zinc/83/55/71/598835571.db2.gz UKTWXNRJKVTUCW-CQSZACIVSA-N -1 1 396.476 2.080 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ncc(C(C)C)o1 ZINC000737201128 598842419 /nfs/dbraw/zinc/84/24/19/598842419.db2.gz QWHRSTWIXKJWBW-UHFFFAOYSA-N -1 1 386.412 2.372 20 0 GEADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1ccc(-c2nn[nH]n2)cc1F ZINC000738346287 598842862 /nfs/dbraw/zinc/84/28/62/598842862.db2.gz XRCXMYMNUAAJCF-UHFFFAOYSA-N -1 1 397.775 2.189 20 0 GEADMM CCc1nc(COC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)no1 ZINC000736705197 598842946 /nfs/dbraw/zinc/84/29/46/598842946.db2.gz YUCCGICDQQVEJN-UHFFFAOYSA-N -1 1 387.425 2.163 20 0 GEADMM CCc1nc(COC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)no1 ZINC000736705197 598842948 /nfs/dbraw/zinc/84/29/48/598842948.db2.gz YUCCGICDQQVEJN-UHFFFAOYSA-N -1 1 387.425 2.163 20 0 GEADMM CC(C)OC(=O)Cc1nc(COC(=O)c2sccc2-c2nn[n-]n2)cs1 ZINC000735894660 598843073 /nfs/dbraw/zinc/84/30/73/598843073.db2.gz JRMSJMBINVMXIW-UHFFFAOYSA-N -1 1 393.450 2.236 20 0 GEADMM CCOc1ccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736644829 598844643 /nfs/dbraw/zinc/84/46/43/598844643.db2.gz QOWWMWZEMQBTME-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CCNC(=O)CCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736574997 598846518 /nfs/dbraw/zinc/84/65/18/598846518.db2.gz WXHAGVCDSPOBAW-UHFFFAOYSA-N -1 1 384.465 2.128 20 0 GEADMM Cc1ccc2oc(SCc3cc(=O)n4ncc(-c5nn[n-]n5)c4[nH]3)nc2c1 ZINC000737380435 598861628 /nfs/dbraw/zinc/86/16/28/598861628.db2.gz OTLUFPUSDIHNAZ-UHFFFAOYSA-N -1 1 380.393 2.357 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1c1ccncc1 ZINC000738355909 598875240 /nfs/dbraw/zinc/87/52/40/598875240.db2.gz UZKJVMKPTBSULQ-ZDUSSCGKSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1c1ccncc1 ZINC000738355909 598875241 /nfs/dbraw/zinc/87/52/41/598875241.db2.gz UZKJVMKPTBSULQ-ZDUSSCGKSA-N -1 1 390.856 2.441 20 0 GEADMM Cn1cc(CNC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000737601409 598891059 /nfs/dbraw/zinc/89/10/59/598891059.db2.gz IULVURCIXBIWEU-UHFFFAOYSA-N -1 1 394.464 2.328 20 0 GEADMM CC(=O)Nc1cccc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000735488223 598935875 /nfs/dbraw/zinc/93/58/75/598935875.db2.gz GXMAFUWMTBLEFM-UHFFFAOYSA-N -1 1 390.407 2.259 20 0 GEADMM CC(=O)Nc1cccc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000735488223 598935876 /nfs/dbraw/zinc/93/58/76/598935876.db2.gz GXMAFUWMTBLEFM-UHFFFAOYSA-N -1 1 390.407 2.259 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)ccc1F ZINC000735482916 598946801 /nfs/dbraw/zinc/94/68/01/598946801.db2.gz WVOSSCQCUIEXAJ-UHFFFAOYSA-N -1 1 390.400 2.073 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735632611 598959531 /nfs/dbraw/zinc/95/95/31/598959531.db2.gz DMGFCOCQNMCWNK-UHFFFAOYSA-N -1 1 379.852 2.409 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735632611 598959533 /nfs/dbraw/zinc/95/95/33/598959533.db2.gz DMGFCOCQNMCWNK-UHFFFAOYSA-N -1 1 379.852 2.409 20 0 GEADMM FC(F)(F)CN1CC[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737627176 598961067 /nfs/dbraw/zinc/96/10/67/598961067.db2.gz LXBKSTPULJTGBX-JTQLQIEISA-N -1 1 378.362 2.106 20 0 GEADMM FC(F)(F)CN1CC[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737627176 598961069 /nfs/dbraw/zinc/96/10/69/598961069.db2.gz LXBKSTPULJTGBX-JTQLQIEISA-N -1 1 378.362 2.106 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cccc1-c1nn[nH]n1 ZINC000822129701 607255878 /nfs/dbraw/zinc/25/58/78/607255878.db2.gz NREUBSBTLRPPHD-UHFFFAOYSA-N -1 1 398.448 2.206 20 0 GEADMM COc1cc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC(F)F ZINC000737045778 598981679 /nfs/dbraw/zinc/98/16/79/598981679.db2.gz MTQYNWLRKFXEON-UHFFFAOYSA-N -1 1 390.350 2.144 20 0 GEADMM COc1cc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC(F)F ZINC000737045778 598981684 /nfs/dbraw/zinc/98/16/84/598981684.db2.gz MTQYNWLRKFXEON-UHFFFAOYSA-N -1 1 390.350 2.144 20 0 GEADMM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738213479 598982671 /nfs/dbraw/zinc/98/26/71/598982671.db2.gz WFCWRPNCVOUEJG-UHFFFAOYSA-N -1 1 393.388 2.366 20 0 GEADMM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738213479 598982673 /nfs/dbraw/zinc/98/26/73/598982673.db2.gz WFCWRPNCVOUEJG-UHFFFAOYSA-N -1 1 393.388 2.366 20 0 GEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)OCCO2 ZINC000735721838 598984451 /nfs/dbraw/zinc/98/44/51/598984451.db2.gz RINXDBIJXGKRTQ-KRWDZBQOSA-N -1 1 380.408 2.160 20 0 GEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)OCCO2 ZINC000735721838 598984452 /nfs/dbraw/zinc/98/44/52/598984452.db2.gz RINXDBIJXGKRTQ-KRWDZBQOSA-N -1 1 380.408 2.160 20 0 GEADMM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103251 598986742 /nfs/dbraw/zinc/98/67/42/598986742.db2.gz GDODIJKAIOBQNV-UHFFFAOYSA-N -1 1 392.341 2.271 20 0 GEADMM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103251 598986745 /nfs/dbraw/zinc/98/67/45/598986745.db2.gz GDODIJKAIOBQNV-UHFFFAOYSA-N -1 1 392.341 2.271 20 0 GEADMM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737233794 598998821 /nfs/dbraw/zinc/99/88/21/598998821.db2.gz GHUFKUZXGPMJBF-UHFFFAOYSA-N -1 1 391.435 2.495 20 0 GEADMM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737233794 598998822 /nfs/dbraw/zinc/99/88/22/598998822.db2.gz GHUFKUZXGPMJBF-UHFFFAOYSA-N -1 1 391.435 2.495 20 0 GEADMM COc1ccc(OC(F)F)c(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737110300 599007215 /nfs/dbraw/zinc/00/72/15/599007215.db2.gz YXBMCSMAUYNICF-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1ccc(OC(F)F)c(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737110300 599007216 /nfs/dbraw/zinc/00/72/16/599007216.db2.gz YXBMCSMAUYNICF-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM c1cc(-c2nnn[n-]2)ncc1-c1nc(-c2ccc(N3CCCCC3)nc2)no1 ZINC000738413090 599011119 /nfs/dbraw/zinc/01/11/19/599011119.db2.gz MUCHJHUUEKPNNG-UHFFFAOYSA-N -1 1 375.396 2.364 20 0 GEADMM c1cc(-c2nn[n-]n2)ncc1-c1nc(-c2ccc(N3CCCCC3)nc2)no1 ZINC000738413090 599011120 /nfs/dbraw/zinc/01/11/20/599011120.db2.gz MUCHJHUUEKPNNG-UHFFFAOYSA-N -1 1 375.396 2.364 20 0 GEADMM C[S@](=O)Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC000737171567 599017610 /nfs/dbraw/zinc/01/76/10/599017610.db2.gz DAWITOTZUYYZDK-VWLOTQADSA-N -1 1 376.829 2.046 20 0 GEADMM C[S@](=O)Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC000737171567 599017612 /nfs/dbraw/zinc/01/76/12/599017612.db2.gz DAWITOTZUYYZDK-VWLOTQADSA-N -1 1 376.829 2.046 20 0 GEADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)n1 ZINC000737436614 599019100 /nfs/dbraw/zinc/01/91/00/599019100.db2.gz ITQZTCIRPDBXCH-UHFFFAOYSA-N -1 1 393.432 2.433 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCOCc1ccccc1 ZINC000737201550 599028759 /nfs/dbraw/zinc/02/87/59/599028759.db2.gz UJLBRZPLTOLNDP-UHFFFAOYSA-N -1 1 397.435 2.277 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000738259195 599028903 /nfs/dbraw/zinc/02/89/03/599028903.db2.gz NCMBDKNDKWQWCA-OAHLLOKOSA-N -1 1 388.790 2.268 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000738259195 599028905 /nfs/dbraw/zinc/02/89/05/599028905.db2.gz NCMBDKNDKWQWCA-OAHLLOKOSA-N -1 1 388.790 2.268 20 0 GEADMM O=C(OCC1CCN(CC(F)(F)F)CC1)c1sccc1-c1nn[n-]n1 ZINC000738218009 599029102 /nfs/dbraw/zinc/02/91/02/599029102.db2.gz CRZQRQGTZLGEKO-UHFFFAOYSA-N -1 1 375.376 2.359 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000737223721 599029689 /nfs/dbraw/zinc/02/96/89/599029689.db2.gz DCNKAIILZGMRJX-UHFFFAOYSA-N -1 1 395.448 2.376 20 0 GEADMM CCOc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736644109 599031078 /nfs/dbraw/zinc/03/10/78/599031078.db2.gz TUZNOCHNYNHCEK-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM CCOc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736644109 599031080 /nfs/dbraw/zinc/03/10/80/599031080.db2.gz TUZNOCHNYNHCEK-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM CN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736841242 599041855 /nfs/dbraw/zinc/04/18/55/599041855.db2.gz BFBSGGBQRFJFSG-UHFFFAOYSA-N -1 1 399.354 2.416 20 0 GEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820804641 599043636 /nfs/dbraw/zinc/04/36/36/599043636.db2.gz WPKLSQFZYFJWJD-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820804641 599043639 /nfs/dbraw/zinc/04/36/39/599043639.db2.gz WPKLSQFZYFJWJD-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000737488493 599087513 /nfs/dbraw/zinc/08/75/13/599087513.db2.gz WECRTDYNRDVJMV-QWHCGFSZSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000737488493 599087515 /nfs/dbraw/zinc/08/75/15/599087515.db2.gz WECRTDYNRDVJMV-QWHCGFSZSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nsc(N2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)n1 ZINC000822530793 599088202 /nfs/dbraw/zinc/08/82/02/599088202.db2.gz OVALUKYZWYVTGQ-UHFFFAOYSA-N -1 1 393.480 2.292 20 0 GEADMM Cc1nsc(N2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000822530793 599088204 /nfs/dbraw/zinc/08/82/04/599088204.db2.gz OVALUKYZWYVTGQ-UHFFFAOYSA-N -1 1 393.480 2.292 20 0 GEADMM C[C@H]1CCC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736244660 599100241 /nfs/dbraw/zinc/10/02/41/599100241.db2.gz LQQQFLJCPLHFRS-JSGCOSHPSA-N -1 1 385.472 2.207 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000737202265 599106859 /nfs/dbraw/zinc/10/68/59/599106859.db2.gz ZGTNRSBRZLRCNK-UHFFFAOYSA-N -1 1 398.471 2.467 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCSc2ncccc21 ZINC000737199875 599117595 /nfs/dbraw/zinc/11/75/95/599117595.db2.gz KAVRLTZCGBMFCL-UHFFFAOYSA-N -1 1 397.464 2.051 20 0 GEADMM Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737343696 599141630 /nfs/dbraw/zinc/14/16/30/599141630.db2.gz TUXMXQPUHYFGQU-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737343696 599141631 /nfs/dbraw/zinc/14/16/31/599141631.db2.gz TUXMXQPUHYFGQU-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM Cc1ccc(N(C)C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)nn1 ZINC000737347910 599174217 /nfs/dbraw/zinc/17/42/17/599174217.db2.gz UJFNVLGMPUONIN-UHFFFAOYSA-N -1 1 385.863 2.119 20 0 GEADMM Cc1ccc(N(C)C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)nn1 ZINC000737347910 599174218 /nfs/dbraw/zinc/17/42/18/599174218.db2.gz UJFNVLGMPUONIN-UHFFFAOYSA-N -1 1 385.863 2.119 20 0 GEADMM C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000735559204 599174388 /nfs/dbraw/zinc/17/43/88/599174388.db2.gz JXQOBVIYXNATGE-CYBMUJFWSA-N -1 1 384.415 2.344 20 0 GEADMM CC[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000736400654 599224254 /nfs/dbraw/zinc/22/42/54/599224254.db2.gz QKQGDSDSFLQBEK-HNNXBMFYSA-N -1 1 396.499 2.498 20 0 GEADMM CC[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000736400654 599224256 /nfs/dbraw/zinc/22/42/56/599224256.db2.gz QKQGDSDSFLQBEK-HNNXBMFYSA-N -1 1 396.499 2.498 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC(C(=O)[O-])CC2)N2CCCC2)c1 ZINC000739945369 596938888 /nfs/dbraw/zinc/93/88/88/596938888.db2.gz KCIHCPCTVNFZGL-SFHVURJKSA-N -1 1 375.469 2.338 20 0 GEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)NCc3ccc(C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000817818098 596944906 /nfs/dbraw/zinc/94/49/06/596944906.db2.gz AXVPQGUOICXJCT-CQSZACIVSA-N -1 1 387.440 2.084 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)NCc3ccc(C(=O)[O-])cc3)CCO2)[nH]1 ZINC000817818098 596944910 /nfs/dbraw/zinc/94/49/10/596944910.db2.gz AXVPQGUOICXJCT-CQSZACIVSA-N -1 1 387.440 2.084 20 0 GEADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000736407654 599235751 /nfs/dbraw/zinc/23/57/51/599235751.db2.gz PSIIDQQGZXXYOT-LLVKDONJSA-N -1 1 389.412 2.372 20 0 GEADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000736407654 599235753 /nfs/dbraw/zinc/23/57/53/599235753.db2.gz PSIIDQQGZXXYOT-LLVKDONJSA-N -1 1 389.412 2.372 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737186076 599239974 /nfs/dbraw/zinc/23/99/74/599239974.db2.gz FYCUPEWAMGCNJX-LLVKDONJSA-N -1 1 396.476 2.224 20 0 GEADMM COc1ccc(C(=O)NCCC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000509187136 597112580 /nfs/dbraw/zinc/11/25/80/597112580.db2.gz UQARBCKLHQEZAG-UHFFFAOYSA-N -1 1 392.433 2.009 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H](SC)C2)cc1-c1nn[n-]n1 ZINC000737187806 599242564 /nfs/dbraw/zinc/24/25/64/599242564.db2.gz VPCQYWYWQLIXLP-RKDXNWHRSA-N -1 1 380.499 2.093 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CC2CCOCC2)c1-c1nn[n-]n1 ZINC000737503415 599242766 /nfs/dbraw/zinc/24/27/66/599242766.db2.gz JFECHBAPSNKQRZ-UHFFFAOYSA-N -1 1 382.424 2.221 20 0 GEADMM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000821524124 597350870 /nfs/dbraw/zinc/35/08/70/597350870.db2.gz BNOOOBIMVCXBNC-UHFFFAOYSA-N -1 1 393.403 2.058 20 0 GEADMM O=C([O-])CCCNC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000821524124 597350872 /nfs/dbraw/zinc/35/08/72/597350872.db2.gz BNOOOBIMVCXBNC-UHFFFAOYSA-N -1 1 393.403 2.058 20 0 GEADMM CCN(CC(=O)NCc1ccc(F)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821165073 607303077 /nfs/dbraw/zinc/30/30/77/607303077.db2.gz OSHHOTSVDYNWHS-UHFFFAOYSA-N -1 1 395.851 2.258 20 0 GEADMM CCN(CC(=O)NCc1ccc(F)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821165073 607303078 /nfs/dbraw/zinc/30/30/78/607303078.db2.gz OSHHOTSVDYNWHS-UHFFFAOYSA-N -1 1 395.851 2.258 20 0 GEADMM C[C@H](C(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1)n1cncn1 ZINC000819866977 607312226 /nfs/dbraw/zinc/31/22/26/607312226.db2.gz PQWVDRXTYMBTNF-LLVKDONJSA-N -1 1 395.452 2.332 20 0 GEADMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000822699203 607305814 /nfs/dbraw/zinc/30/58/14/607305814.db2.gz RYAKYFBUYRBRIH-UGSOOPFHSA-N -1 1 390.451 2.098 20 0 GEADMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000822699203 607305815 /nfs/dbraw/zinc/30/58/15/607305815.db2.gz RYAKYFBUYRBRIH-UGSOOPFHSA-N -1 1 390.451 2.098 20 0 GEADMM O=C([O-])C1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000821511351 598121494 /nfs/dbraw/zinc/12/14/94/598121494.db2.gz ITODPTQFIVGJGJ-UHFFFAOYSA-N -1 1 382.888 2.348 20 0 GEADMM O=S(=O)(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328550 598252595 /nfs/dbraw/zinc/25/25/95/598252595.db2.gz HIBLEZLOVYPCAL-MRXNPFEDSA-N -1 1 388.428 2.221 20 0 GEADMM O=S(=O)(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328550 598252597 /nfs/dbraw/zinc/25/25/97/598252597.db2.gz HIBLEZLOVYPCAL-MRXNPFEDSA-N -1 1 388.428 2.221 20 0 GEADMM Cc1oc(NC(=O)CN(C)C[C@@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737553437 598258529 /nfs/dbraw/zinc/25/85/29/598258529.db2.gz WBEVZNWGSGFIJL-INIZCTEOSA-N -1 1 396.451 2.261 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc2ccccc21 ZINC000736129650 598260727 /nfs/dbraw/zinc/26/07/27/598260727.db2.gz HVQSIVPQDQYAMI-LBPRGKRZSA-N -1 1 380.433 2.454 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc2ccccc21 ZINC000736129650 598260729 /nfs/dbraw/zinc/26/07/29/598260729.db2.gz HVQSIVPQDQYAMI-LBPRGKRZSA-N -1 1 380.433 2.454 20 0 GEADMM CC(C)Oc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735915214 598264706 /nfs/dbraw/zinc/26/47/06/598264706.db2.gz LZNCUUYFDJPGTR-GFCCVEGCSA-N -1 1 388.453 2.088 20 0 GEADMM CC(C)Oc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735915214 598264707 /nfs/dbraw/zinc/26/47/07/598264707.db2.gz LZNCUUYFDJPGTR-GFCCVEGCSA-N -1 1 388.453 2.088 20 0 GEADMM CC(C)Oc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735912724 598264944 /nfs/dbraw/zinc/26/49/44/598264944.db2.gz BQJMQQOVAVOSBI-LBPRGKRZSA-N -1 1 388.453 2.088 20 0 GEADMM CC(C)Oc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735912724 598264945 /nfs/dbraw/zinc/26/49/45/598264945.db2.gz BQJMQQOVAVOSBI-LBPRGKRZSA-N -1 1 388.453 2.088 20 0 GEADMM CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736412761 598265461 /nfs/dbraw/zinc/26/54/61/598265461.db2.gz UUZNFFSFVGGJFC-ZDUSSCGKSA-N -1 1 376.467 2.021 20 0 GEADMM CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736412761 598265462 /nfs/dbraw/zinc/26/54/62/598265462.db2.gz UUZNFFSFVGGJFC-ZDUSSCGKSA-N -1 1 376.467 2.021 20 0 GEADMM CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736412760 598265510 /nfs/dbraw/zinc/26/55/10/598265510.db2.gz UUZNFFSFVGGJFC-CYBMUJFWSA-N -1 1 376.467 2.021 20 0 GEADMM CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736412760 598265511 /nfs/dbraw/zinc/26/55/11/598265511.db2.gz UUZNFFSFVGGJFC-CYBMUJFWSA-N -1 1 376.467 2.021 20 0 GEADMM CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736559434 598265906 /nfs/dbraw/zinc/26/59/06/598265906.db2.gz VWEJMBFZZSZWKH-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736559434 598265907 /nfs/dbraw/zinc/26/59/07/598265907.db2.gz VWEJMBFZZSZWKH-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1CCc1ccccc1 ZINC000738356238 598268371 /nfs/dbraw/zinc/26/83/71/598268371.db2.gz ZRBLTHYJFTWOJM-HNNXBMFYSA-N -1 1 384.465 2.048 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1CCc1ccccc1 ZINC000738356238 598268372 /nfs/dbraw/zinc/26/83/72/598268372.db2.gz ZRBLTHYJFTWOJM-HNNXBMFYSA-N -1 1 384.465 2.048 20 0 GEADMM C[C@@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)C1 ZINC000736265400 598276386 /nfs/dbraw/zinc/27/63/86/598276386.db2.gz JEXMINPXTMLZEU-GFCCVEGCSA-N -1 1 389.891 2.390 20 0 GEADMM C[C@@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)C1 ZINC000736265400 598276388 /nfs/dbraw/zinc/27/63/88/598276388.db2.gz JEXMINPXTMLZEU-GFCCVEGCSA-N -1 1 389.891 2.390 20 0 GEADMM C[C@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)C1 ZINC000736265402 598276598 /nfs/dbraw/zinc/27/65/98/598276598.db2.gz JEXMINPXTMLZEU-LBPRGKRZSA-N -1 1 389.891 2.390 20 0 GEADMM C[C@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)C1 ZINC000736265402 598276599 /nfs/dbraw/zinc/27/65/99/598276599.db2.gz JEXMINPXTMLZEU-LBPRGKRZSA-N -1 1 389.891 2.390 20 0 GEADMM c1csc(CCNc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)c1 ZINC000738451166 598340728 /nfs/dbraw/zinc/34/07/28/598340728.db2.gz DDOZCAFUNARTLG-UHFFFAOYSA-N -1 1 389.495 2.376 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000737548089 598345939 /nfs/dbraw/zinc/34/59/39/598345939.db2.gz MFVJAFAZWHQYID-AWEZNQCLSA-N -1 1 392.423 2.060 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000737548089 598345940 /nfs/dbraw/zinc/34/59/40/598345940.db2.gz MFVJAFAZWHQYID-AWEZNQCLSA-N -1 1 392.423 2.060 20 0 GEADMM CC[C@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC000736311983 598351682 /nfs/dbraw/zinc/35/16/82/598351682.db2.gz DDBJHKWDXHHEGA-INIZCTEOSA-N -1 1 392.467 2.253 20 0 GEADMM CC[C@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000736311983 598351684 /nfs/dbraw/zinc/35/16/84/598351684.db2.gz DDBJHKWDXHHEGA-INIZCTEOSA-N -1 1 392.467 2.253 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCC2(c3ccccc3C)CC2)cc1-c1nn[n-]n1 ZINC000737187793 598359578 /nfs/dbraw/zinc/35/95/78/598359578.db2.gz VGDUBQNOSBKMHU-UHFFFAOYSA-N -1 1 396.476 2.459 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000737054239 598369916 /nfs/dbraw/zinc/36/99/16/598369916.db2.gz OKFPCNRVMATADD-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM CCOC(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736594914 598401882 /nfs/dbraw/zinc/40/18/82/598401882.db2.gz FRCHNRBYFLEWEN-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM CCOC(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736594914 598401883 /nfs/dbraw/zinc/40/18/83/598401883.db2.gz FRCHNRBYFLEWEN-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nnc(C(C)C)o1 ZINC000737546683 598408851 /nfs/dbraw/zinc/40/88/51/598408851.db2.gz DZPYLZDHXFXSJK-UHFFFAOYSA-N -1 1 383.368 2.422 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1nnc(C(C)C)o1 ZINC000737546683 598408853 /nfs/dbraw/zinc/40/88/53/598408853.db2.gz DZPYLZDHXFXSJK-UHFFFAOYSA-N -1 1 383.368 2.422 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738319348 598459331 /nfs/dbraw/zinc/45/93/31/598459331.db2.gz OCLJAMOOUWWJIR-CQSZACIVSA-N -1 1 396.842 2.262 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738319348 598459333 /nfs/dbraw/zinc/45/93/33/598459333.db2.gz OCLJAMOOUWWJIR-CQSZACIVSA-N -1 1 396.842 2.262 20 0 GEADMM C[C@H](c1ccccc1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736204460 598503383 /nfs/dbraw/zinc/50/33/83/598503383.db2.gz PYVPTNHVMUILSU-CQSZACIVSA-N -1 1 388.431 2.401 20 0 GEADMM CCCO[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736486991 598512710 /nfs/dbraw/zinc/51/27/10/598512710.db2.gz CHSYKADVWQZCQL-NSHDSACASA-N -1 1 392.485 2.111 20 0 GEADMM CCC[C@@H](CCO)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821022770 607360336 /nfs/dbraw/zinc/36/03/36/607360336.db2.gz URTPKGUVLIOKMT-NSHDSACASA-N -1 1 390.513 2.390 20 0 GEADMM Clc1ccc(N2CCC[C@H](c3nnc4ccccn43)C2)nc1-c1nnn[n-]1 ZINC000737577397 598571490 /nfs/dbraw/zinc/57/14/90/598571490.db2.gz VXXBVTIKDCBDEG-NSHDSACASA-N -1 1 381.831 2.342 20 0 GEADMM Clc1ccc(N2CCC[C@H](c3nnc4ccccn43)C2)nc1-c1nn[n-]n1 ZINC000737577397 598571491 /nfs/dbraw/zinc/57/14/91/598571491.db2.gz VXXBVTIKDCBDEG-NSHDSACASA-N -1 1 381.831 2.342 20 0 GEADMM CCc1nc(CN2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cs1 ZINC000736703882 598577717 /nfs/dbraw/zinc/57/77/17/598577717.db2.gz HODFONXCFNLBOM-UHFFFAOYSA-N -1 1 390.904 2.256 20 0 GEADMM CCc1nc(CN2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cs1 ZINC000736703882 598577718 /nfs/dbraw/zinc/57/77/18/598577718.db2.gz HODFONXCFNLBOM-UHFFFAOYSA-N -1 1 390.904 2.256 20 0 GEADMM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736565733 598581438 /nfs/dbraw/zinc/58/14/38/598581438.db2.gz PBNIIRZDYBVQIJ-OAHLLOKOSA-N -1 1 395.814 2.149 20 0 GEADMM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736565733 598581440 /nfs/dbraw/zinc/58/14/40/598581440.db2.gz PBNIIRZDYBVQIJ-OAHLLOKOSA-N -1 1 395.814 2.149 20 0 GEADMM CCc1nn(Cc2coc(-c3cccc(F)c3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707703 598642293 /nfs/dbraw/zinc/64/22/93/598642293.db2.gz RUJXZTAPAMZOCM-UHFFFAOYSA-N -1 1 395.398 2.391 20 0 GEADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c(F)c1 ZINC000737357199 598719176 /nfs/dbraw/zinc/71/91/76/598719176.db2.gz MXERETWWDSAJQX-UHFFFAOYSA-N -1 1 378.367 2.268 20 0 GEADMM COC(=O)c1coc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000736956617 598721048 /nfs/dbraw/zinc/72/10/48/598721048.db2.gz GLFZGVYEAHKEQQ-UHFFFAOYSA-N -1 1 385.767 2.263 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NC(C1CC1)C1CC1 ZINC000737981108 598721860 /nfs/dbraw/zinc/72/18/60/598721860.db2.gz IOSVXYHJSFUEPQ-UHFFFAOYSA-N -1 1 398.854 2.140 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccc2c(c1)CCO2 ZINC000737200250 598729119 /nfs/dbraw/zinc/72/91/19/598729119.db2.gz KZOFUVOFWXCVTC-UHFFFAOYSA-N -1 1 395.419 2.195 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737553461 598750802 /nfs/dbraw/zinc/75/08/02/598750802.db2.gz WMKUTSJVFKTULG-NSHDSACASA-N -1 1 383.408 2.437 20 0 GEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000738296657 598775576 /nfs/dbraw/zinc/77/55/76/598775576.db2.gz MKNUVCDPMQGPIP-QMMMGPOBSA-N -1 1 379.808 2.333 20 0 GEADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000738296657 598775577 /nfs/dbraw/zinc/77/55/77/598775577.db2.gz MKNUVCDPMQGPIP-QMMMGPOBSA-N -1 1 379.808 2.333 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000737486309 598809464 /nfs/dbraw/zinc/80/94/64/598809464.db2.gz CZXLUXAEJHPABY-XWCIJXRUSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000737486309 598809466 /nfs/dbraw/zinc/80/94/66/598809466.db2.gz CZXLUXAEJHPABY-XWCIJXRUSA-N -1 1 396.499 2.400 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(OC2CCCC2)CC1 ZINC000823607147 599341370 /nfs/dbraw/zinc/34/13/70/599341370.db2.gz QTAHPULSVNKGCZ-UHFFFAOYSA-N -1 1 395.460 2.118 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(OC2CCCC2)CC1 ZINC000823607147 599341372 /nfs/dbraw/zinc/34/13/72/599341372.db2.gz QTAHPULSVNKGCZ-UHFFFAOYSA-N -1 1 395.460 2.118 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCNc1ccccc1 ZINC000822540763 599352814 /nfs/dbraw/zinc/35/28/14/599352814.db2.gz GDCAMRQFFRRSCC-UHFFFAOYSA-N -1 1 377.408 2.401 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCNc1ccccc1 ZINC000822540763 599352817 /nfs/dbraw/zinc/35/28/17/599352817.db2.gz GDCAMRQFFRRSCC-UHFFFAOYSA-N -1 1 377.408 2.401 20 0 GEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)on1 ZINC000820897689 599355231 /nfs/dbraw/zinc/35/52/31/599355231.db2.gz LWCDVKMKSMYLCT-UHFFFAOYSA-N -1 1 394.432 2.376 20 0 GEADMM CN(CCc1cccs1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821607486 599372191 /nfs/dbraw/zinc/37/21/91/599372191.db2.gz QLQDHYRTIDXNCD-UHFFFAOYSA-N -1 1 383.886 2.445 20 0 GEADMM CN(CCc1cccs1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821607486 599372194 /nfs/dbraw/zinc/37/21/94/599372194.db2.gz QLQDHYRTIDXNCD-UHFFFAOYSA-N -1 1 383.886 2.445 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC(C(F)(F)F)CC1 ZINC000823601003 599372892 /nfs/dbraw/zinc/37/28/92/599372892.db2.gz NXLFIHCBNDOQIR-UHFFFAOYSA-N -1 1 395.794 2.483 20 0 GEADMM CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820045915 599372978 /nfs/dbraw/zinc/37/29/78/599372978.db2.gz OMSOOMTZHSNHPI-LBPRGKRZSA-N -1 1 387.918 2.282 20 0 GEADMM CCOC(=O)c1sc(N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)nc1C ZINC000736605030 599374553 /nfs/dbraw/zinc/37/45/53/599374553.db2.gz BTBSZRLFNHNLHM-UHFFFAOYSA-N -1 1 399.436 2.013 20 0 GEADMM CCOC(=O)c1sc(N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)nc1C ZINC000736605030 599374554 /nfs/dbraw/zinc/37/45/54/599374554.db2.gz BTBSZRLFNHNLHM-UHFFFAOYSA-N -1 1 399.436 2.013 20 0 GEADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2F)c1 ZINC000737444563 599382825 /nfs/dbraw/zinc/38/28/25/599382825.db2.gz NIAIJDZXKDWEQI-UHFFFAOYSA-N -1 1 399.411 2.301 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000737548776 599388808 /nfs/dbraw/zinc/38/88/08/599388808.db2.gz RIDNIHNIIPNLKF-UHFFFAOYSA-N -1 1 392.423 2.302 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000737548776 599388810 /nfs/dbraw/zinc/38/88/10/599388810.db2.gz RIDNIHNIIPNLKF-UHFFFAOYSA-N -1 1 392.423 2.302 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000821977700 599446202 /nfs/dbraw/zinc/44/62/02/599446202.db2.gz JGBKODRNQVIGDE-BXUZGUMPSA-N -1 1 382.449 2.050 20 0 GEADMM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653832 599493094 /nfs/dbraw/zinc/49/30/94/599493094.db2.gz MEHFPOPESUVMKQ-MRXNPFEDSA-N -1 1 394.391 2.173 20 0 GEADMM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653832 599493096 /nfs/dbraw/zinc/49/30/96/599493096.db2.gz MEHFPOPESUVMKQ-MRXNPFEDSA-N -1 1 394.391 2.173 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccn(C(C)C)n1 ZINC000737547949 599576257 /nfs/dbraw/zinc/57/62/57/599576257.db2.gz MTXATKYYHBVJJR-UHFFFAOYSA-N -1 1 380.412 2.266 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccn(C(C)C)n1 ZINC000737547949 599576259 /nfs/dbraw/zinc/57/62/59/599576259.db2.gz MTXATKYYHBVJJR-UHFFFAOYSA-N -1 1 380.412 2.266 20 0 GEADMM CN(C)C(=O)c1cccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000821579566 599585285 /nfs/dbraw/zinc/58/52/85/599585285.db2.gz GRRFPOZIDGIOLV-UHFFFAOYSA-N -1 1 388.435 2.166 20 0 GEADMM CN(C)C(=O)c1cccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000821579566 599585288 /nfs/dbraw/zinc/58/52/88/599585288.db2.gz GRRFPOZIDGIOLV-UHFFFAOYSA-N -1 1 388.435 2.166 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1CCOc1ccccc1 ZINC000823519553 599586126 /nfs/dbraw/zinc/58/61/26/599586126.db2.gz HZJYCLHZIMWYCD-LBPRGKRZSA-N -1 1 399.842 2.007 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1CCOc1ccccc1 ZINC000823519553 599586129 /nfs/dbraw/zinc/58/61/29/599586129.db2.gz HZJYCLHZIMWYCD-LBPRGKRZSA-N -1 1 399.842 2.007 20 0 GEADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737421537 599596139 /nfs/dbraw/zinc/59/61/39/599596139.db2.gz KJICECUUGREDQA-ZIAGYGMSSA-N -1 1 384.465 2.137 20 0 GEADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737421537 599596140 /nfs/dbraw/zinc/59/61/40/599596140.db2.gz KJICECUUGREDQA-ZIAGYGMSSA-N -1 1 384.465 2.137 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000737186932 599604269 /nfs/dbraw/zinc/60/42/69/599604269.db2.gz LUSOVKXSSIOSGJ-QMMMGPOBSA-N -1 1 390.494 2.420 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc(C2CC2)no1 ZINC000736389672 599775257 /nfs/dbraw/zinc/77/52/57/599775257.db2.gz KOULOUQCXRZTMU-CYBMUJFWSA-N -1 1 383.401 2.460 20 0 GEADMM C[C@H](OC(=O)c1ccccc1C(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000736698456 599788757 /nfs/dbraw/zinc/78/87/57/599788757.db2.gz PYFHTLPELOBJLE-RDJZCZTQSA-N -1 1 396.443 2.321 20 0 GEADMM CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737008041 599793775 /nfs/dbraw/zinc/79/37/75/599793775.db2.gz TXZQBKCNCIDKOW-INIZCTEOSA-N -1 1 397.516 2.031 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c(C(=O)[O-])s1 ZINC000737680788 599813927 /nfs/dbraw/zinc/81/39/27/599813927.db2.gz LOXHZOWLRPOUBE-UHFFFAOYSA-N -1 1 383.403 2.236 20 0 GEADMM COCc1ccccc1NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000737835575 599815123 /nfs/dbraw/zinc/81/51/23/599815123.db2.gz HHZPBEJGNASHKY-UHFFFAOYSA-N -1 1 385.419 2.180 20 0 GEADMM C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736740429 599840029 /nfs/dbraw/zinc/84/00/29/599840029.db2.gz BDWMUHQAUPIKRK-UTKZUKDTSA-N -1 1 385.464 2.229 20 0 GEADMM CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736931646 599840162 /nfs/dbraw/zinc/84/01/62/599840162.db2.gz HOVFCDXFFCPVGS-FOIQADDNSA-N -1 1 389.452 2.139 20 0 GEADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000736206743 599851819 /nfs/dbraw/zinc/85/18/19/599851819.db2.gz DRXROHRVXRTGNN-WCQYABFASA-N -1 1 392.843 2.159 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C(=O)[O-])c1C ZINC000736178692 599861837 /nfs/dbraw/zinc/86/18/37/599861837.db2.gz UVCPDOVHFHYYGZ-UHFFFAOYSA-N -1 1 398.463 2.157 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737361304 599876948 /nfs/dbraw/zinc/87/69/48/599876948.db2.gz MNHNJNZGWFEEMY-SFHVURJKSA-N -1 1 383.448 2.061 20 0 GEADMM O=C([O-])CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000739753732 599877684 /nfs/dbraw/zinc/87/76/84/599877684.db2.gz YVHNYAPOWGQSOE-LJQANCHMSA-N -1 1 395.459 2.033 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820657125 607405058 /nfs/dbraw/zinc/40/50/58/607405058.db2.gz JNSVRQQMNDEMCC-MNOVXSKESA-N -1 1 392.485 2.446 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820657125 607405060 /nfs/dbraw/zinc/40/50/60/607405060.db2.gz JNSVRQQMNDEMCC-MNOVXSKESA-N -1 1 392.485 2.446 20 0 GEADMM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000649453432 599928708 /nfs/dbraw/zinc/92/87/08/599928708.db2.gz GKPIMCAADLKKTA-ZDUSSCGKSA-N -1 1 386.427 2.162 20 0 GEADMM C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736659815 599929515 /nfs/dbraw/zinc/92/95/15/599929515.db2.gz YAVYOFWSHAXZHC-CYBMUJFWSA-N -1 1 386.427 2.162 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000739428183 599943374 /nfs/dbraw/zinc/94/33/74/599943374.db2.gz CXTCTWXURKWZDZ-UHFFFAOYSA-N -1 1 398.463 2.122 20 0 GEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000738228135 600029980 /nfs/dbraw/zinc/02/99/80/600029980.db2.gz NCLRZCAFXFTYQK-UHFFFAOYSA-N -1 1 385.420 2.446 20 0 GEADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCC(C(=O)[O-])CC2)c1 ZINC000262647003 600034091 /nfs/dbraw/zinc/03/40/91/600034091.db2.gz KGFHRTQCBVIYCE-KRWDZBQOSA-N -1 1 376.453 2.164 20 0 GEADMM CN1CCN(C[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737525267 600043922 /nfs/dbraw/zinc/04/39/22/600043922.db2.gz DPNOSNMKXGVPPC-NRFANRHFSA-N -1 1 395.503 2.422 20 0 GEADMM Cc1cc(NC(=O)C(=O)N2CCN(CC3CCCCC3)CC2)ccc1C(=O)[O-] ZINC000562955224 600048378 /nfs/dbraw/zinc/04/83/78/600048378.db2.gz MSGUUMWJJYKPES-UHFFFAOYSA-N -1 1 387.480 2.356 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)CCc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000371286098 600068932 /nfs/dbraw/zinc/06/89/32/600068932.db2.gz ZFBIHNJNHURKEG-UHFFFAOYSA-N -1 1 380.404 2.428 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)CCc3ccc(C(=O)[O-])cc3)n[nH]2)cc1 ZINC000371286098 600068935 /nfs/dbraw/zinc/06/89/35/600068935.db2.gz ZFBIHNJNHURKEG-UHFFFAOYSA-N -1 1 380.404 2.428 20 0 GEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 ZINC000740143165 600093638 /nfs/dbraw/zinc/09/36/38/600093638.db2.gz FNQIPIVBVRBIIL-UHFFFAOYSA-N -1 1 379.291 2.243 20 0 GEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000739545670 600112187 /nfs/dbraw/zinc/11/21/87/600112187.db2.gz AFEBWNDUVJJIPN-VHSXEESVSA-N -1 1 384.410 2.347 20 0 GEADMM Cc1ccc([C@H](CN2CCOCC2)NCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000738260551 600120233 /nfs/dbraw/zinc/12/02/33/600120233.db2.gz BNHINSRMZRQAHG-FQEVSTJZSA-N -1 1 397.475 2.295 20 0 GEADMM C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736218472 600132130 /nfs/dbraw/zinc/13/21/30/600132130.db2.gz OGPKKJXAAXXYEQ-HUUCEWRRSA-N -1 1 399.447 2.333 20 0 GEADMM C[NH+](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000737364326 600137801 /nfs/dbraw/zinc/13/78/01/600137801.db2.gz BZKSNHCVNMWARW-UHFFFAOYSA-N -1 1 391.449 2.076 20 0 GEADMM NC(=O)c1c(NC(=O)CNC2(C(=O)[O-])CCCCC2)sc2c1CCCC2 ZINC000739171721 600148209 /nfs/dbraw/zinc/14/82/09/600148209.db2.gz ZHZNMRYOTKHNDB-UHFFFAOYSA-N -1 1 379.482 2.041 20 0 GEADMM CCC[C@@](C)(NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)[O-] ZINC000736962487 600157046 /nfs/dbraw/zinc/15/70/46/600157046.db2.gz GDRGOBGFPFUWTK-LJQANCHMSA-N -1 1 393.509 2.047 20 0 GEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000736488686 600183212 /nfs/dbraw/zinc/18/32/12/600183212.db2.gz VLLBERXPEPXQAP-IAGOWNOFSA-N -1 1 391.468 2.235 20 0 GEADMM O=C([O-])c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000740146744 600185288 /nfs/dbraw/zinc/18/52/88/600185288.db2.gz GCFKHUQSYPXUSF-KGLIPLIRSA-N -1 1 399.394 2.049 20 0 GEADMM O=C([O-])C1CCN(CCCNc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000739597870 600194079 /nfs/dbraw/zinc/19/40/79/600194079.db2.gz DWGZXYUNKNTEHH-UHFFFAOYSA-N -1 1 376.425 2.282 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000738518427 600200398 /nfs/dbraw/zinc/20/03/98/600200398.db2.gz LFQXTHNMUSFDCX-UHFFFAOYSA-N -1 1 387.411 2.149 20 0 GEADMM CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000737160946 600286142 /nfs/dbraw/zinc/28/61/42/600286142.db2.gz BCTPWGUZXIVUEB-UONOGXRCSA-N -1 1 392.452 2.247 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738901622 600294297 /nfs/dbraw/zinc/29/42/97/600294297.db2.gz FXDOLUAFQAWOCE-LJQANCHMSA-N -1 1 396.491 2.292 20 0 GEADMM COc1ccc(Br)cc1[C@@H]1CCCN1CCC(=O)NCC(=O)[O-] ZINC000737917900 600297254 /nfs/dbraw/zinc/29/72/54/600297254.db2.gz RVUQPLJLEZVDES-ZDUSSCGKSA-N -1 1 385.258 2.186 20 0 GEADMM CN(CC(=O)N1CCN(Cc2cccc3ccccc32)CC1)C(C)(C)C(=O)[O-] ZINC000737387573 600308233 /nfs/dbraw/zinc/30/82/33/600308233.db2.gz DODCACIPRNOJGH-UHFFFAOYSA-N -1 1 383.492 2.279 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)N(C)C)cc1 ZINC000738550618 600315720 /nfs/dbraw/zinc/31/57/20/600315720.db2.gz GQDIJDBRGYQIDM-QGZVFWFLSA-N -1 1 387.411 2.190 20 0 GEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](c2ccco2)C1 ZINC000739278563 600325195 /nfs/dbraw/zinc/32/51/95/600325195.db2.gz QDEWUAKHHITLPV-KBXCAEBGSA-N -1 1 381.432 2.362 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)CC1 ZINC000737528566 600332171 /nfs/dbraw/zinc/33/21/71/600332171.db2.gz IUBQXCFZPCODEA-UHFFFAOYSA-N -1 1 382.464 2.454 20 0 GEADMM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000739450356 600341555 /nfs/dbraw/zinc/34/15/55/600341555.db2.gz MUUNVHYZQPTAPW-UHFFFAOYSA-N -1 1 399.794 2.078 20 0 GEADMM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000739450356 600341559 /nfs/dbraw/zinc/34/15/59/600341559.db2.gz MUUNVHYZQPTAPW-UHFFFAOYSA-N -1 1 399.794 2.078 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812103 600343758 /nfs/dbraw/zinc/34/37/58/600343758.db2.gz SWLJACXMEJBNRI-GASCZTMLSA-N -1 1 378.473 2.417 20 0 GEADMM Cc1nn(C)c(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1C ZINC000738915472 600361192 /nfs/dbraw/zinc/36/11/92/600361192.db2.gz MMNHFXSWLJEXSN-UHFFFAOYSA-N -1 1 388.243 2.298 20 0 GEADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000436995548 600391586 /nfs/dbraw/zinc/39/15/86/600391586.db2.gz QOVPODSHARYMKQ-UHFFFAOYSA-N -1 1 392.433 2.373 20 0 GEADMM Nc1nc(CN2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)nc2ccccc12 ZINC000738451083 600396826 /nfs/dbraw/zinc/39/68/26/600396826.db2.gz OSPNMIVSVJGZSQ-LJQANCHMSA-N -1 1 377.448 2.156 20 0 GEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000740144162 600546247 /nfs/dbraw/zinc/54/62/47/600546247.db2.gz MBNPBCZBGIAHOF-CQSZACIVSA-N -1 1 381.381 2.492 20 0 GEADMM O=C([O-])Nc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000740038378 600550564 /nfs/dbraw/zinc/55/05/64/600550564.db2.gz DYCAXQQTVMYWQB-GOSISDBHSA-N -1 1 396.447 2.496 20 0 GEADMM COC(=O)c1cc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)ccc1C(=O)[O-] ZINC000831305705 600655981 /nfs/dbraw/zinc/65/59/81/600655981.db2.gz CVKDCQMOIQCGSR-UHFFFAOYSA-N -1 1 395.375 2.278 20 0 GEADMM COC(=O)c1cc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)ccc1C(=O)[O-] ZINC000831305705 600655983 /nfs/dbraw/zinc/65/59/83/600655983.db2.gz CVKDCQMOIQCGSR-UHFFFAOYSA-N -1 1 395.375 2.278 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cs1 ZINC000298865987 600673709 /nfs/dbraw/zinc/67/37/09/600673709.db2.gz RDCCKIYFVFROJV-ZDUSSCGKSA-N -1 1 396.446 2.365 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c[n-]1 ZINC000833303431 600697015 /nfs/dbraw/zinc/69/70/15/600697015.db2.gz RWWWGRNLDLQNMH-UHFFFAOYSA-N -1 1 397.884 2.309 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](C(=O)[O-])C1)N1CCCC1 ZINC000635502281 600700642 /nfs/dbraw/zinc/70/06/42/600700642.db2.gz CILDPCNKRHSWIR-RDJZCZTQSA-N -1 1 375.469 2.338 20 0 GEADMM CCN(Cn1cc(C(=O)[O-])nn1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000737108516 600706114 /nfs/dbraw/zinc/70/61/14/600706114.db2.gz VTJYLOBDDPESOM-UHFFFAOYSA-N -1 1 387.488 2.147 20 0 GEADMM CN1CCN(C(=O)c2ccc(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000830949133 600738639 /nfs/dbraw/zinc/73/86/39/600738639.db2.gz BOKKAKCPBHEYJW-LJQANCHMSA-N -1 1 385.439 2.129 20 0 GEADMM CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1cccs1 ZINC000830928781 600762348 /nfs/dbraw/zinc/76/23/48/600762348.db2.gz QOCWFESWDXVMPO-NHYWBVRUSA-N -1 1 384.479 2.401 20 0 GEADMM CCN(CC)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000829666663 600767446 /nfs/dbraw/zinc/76/74/46/600767446.db2.gz ORSQLVPUHNVTCK-QGZVFWFLSA-N -1 1 379.482 2.085 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 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399.447 2.133 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000826395742 607514282 /nfs/dbraw/zinc/51/42/82/607514282.db2.gz RDJKLYJLHBAOHI-UHFFFAOYSA-N -1 1 384.197 2.250 20 0 GEADMM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832962029 601566201 /nfs/dbraw/zinc/56/62/01/601566201.db2.gz OPCYMQSENCTCNX-JSGCOSHPSA-N -1 1 393.490 2.146 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000184915600 601570313 /nfs/dbraw/zinc/57/03/13/601570313.db2.gz CZOSNPIOIMQVRI-MNOVXSKESA-N -1 1 376.425 2.062 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000831371558 601577120 /nfs/dbraw/zinc/57/71/20/601577120.db2.gz ZESXKSAIFHRYTE-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM Cc1cc(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)n[nH]1 ZINC000832883017 601610112 /nfs/dbraw/zinc/61/01/12/601610112.db2.gz FZANBADINBLZNF-VIFPVBQESA-N -1 1 391.449 2.327 20 0 GEADMM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000826054315 601653196 /nfs/dbraw/zinc/65/31/96/601653196.db2.gz LZYDVMNASZCFTJ-ACJLOTCBSA-N -1 1 390.461 2.080 20 0 GEADMM CN1CCN(c2cc(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)ccn2)CC1 ZINC000830960262 601698011 /nfs/dbraw/zinc/69/80/11/601698011.db2.gz IIRKDPQPAHXONC-KRWDZBQOSA-N -1 1 388.855 2.043 20 0 GEADMM O=C([O-])[C@]1(NC(=O)CSC(F)(F)F)CCCN(Cc2ccccc2)C1 ZINC000833114744 601735927 /nfs/dbraw/zinc/73/59/27/601735927.db2.gz LXTSESCYYDGQKR-HNNXBMFYSA-N -1 1 376.400 2.475 20 0 GEADMM O=C([O-])[C@@]1(NC(=O)[C@@H]2CSCCS2)CCCN(Cc2ccccc2)C1 ZINC000833128971 601741340 /nfs/dbraw/zinc/74/13/40/601741340.db2.gz QACGMFJDAAGIIP-MAUKXSAKSA-N -1 1 380.535 2.071 20 0 GEADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)C(=O)[O-] ZINC000486207942 601750274 /nfs/dbraw/zinc/75/02/74/601750274.db2.gz WREGLNQMBVKNDJ-AWEZNQCLSA-N -1 1 392.433 2.089 20 0 GEADMM C[C@H]1CN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451500 601815228 /nfs/dbraw/zinc/81/52/28/601815228.db2.gz UDBBSKLFNPTDPU-MAUKXSAKSA-N -1 1 393.443 2.092 20 0 GEADMM CC(C)Cc1ccc([C@]2(C)NC(=O)N(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)C2=O)cc1 ZINC000826912628 601818234 /nfs/dbraw/zinc/81/82/34/601818234.db2.gz CYRMWGJEASAPHL-LFRPXUGBSA-N -1 1 387.480 2.262 20 0 GEADMM COc1ccc(Br)cc1[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826186961 607528948 /nfs/dbraw/zinc/52/89/48/607528948.db2.gz RWSGOLSNIWYGII-QHCPKHFHSA-N -1 1 394.254 2.341 20 0 GEADMM COc1ccc(Br)cc1[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826186961 607528950 /nfs/dbraw/zinc/52/89/50/607528950.db2.gz RWSGOLSNIWYGII-QHCPKHFHSA-N -1 1 394.254 2.341 20 0 GEADMM Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832910712 601835859 /nfs/dbraw/zinc/83/58/59/601835859.db2.gz BSJYVQUYZIBQLM-UHFFFAOYSA-N -1 1 397.840 2.244 20 0 GEADMM NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000726765422 601839473 /nfs/dbraw/zinc/83/94/73/601839473.db2.gz OCIMEPOASGIDBR-UHFFFAOYSA-N -1 1 390.751 2.216 20 0 GEADMM COc1cc(OC)cc(N2CC[C@H](N3CCC(CCC(=O)[O-])CC3)C2=O)c1 ZINC000662218703 601840541 /nfs/dbraw/zinc/84/05/41/601840541.db2.gz SCCWLDWSNVPDBE-SFHVURJKSA-N -1 1 376.453 2.386 20 0 GEADMM COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000832000616 601849887 /nfs/dbraw/zinc/84/98/87/601849887.db2.gz WWKFECKXMMOYPK-ACJLOTCBSA-N -1 1 380.828 2.086 20 0 GEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000740245548 601853914 /nfs/dbraw/zinc/85/39/14/601853914.db2.gz YVNRERSSUUXNHQ-UHFFFAOYSA-N -1 1 386.456 2.174 20 0 GEADMM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831331439 601859678 /nfs/dbraw/zinc/85/96/78/601859678.db2.gz PLGJTJSUONVFGM-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM Cc1ccc(-n2ccnc2S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826280427 607530997 /nfs/dbraw/zinc/53/09/97/607530997.db2.gz BDMACURJNNHROR-UHFFFAOYSA-N -1 1 395.448 2.038 20 0 GEADMM Cc1ccc(-n2ccnc2S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826280427 607530998 /nfs/dbraw/zinc/53/09/98/607530998.db2.gz BDMACURJNNHROR-UHFFFAOYSA-N -1 1 395.448 2.038 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000828029112 601886083 /nfs/dbraw/zinc/88/60/83/601886083.db2.gz QGRPSEAOBVHKOW-OAQYLSRUSA-N -1 1 393.443 2.236 20 0 GEADMM C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000828029312 601886563 /nfs/dbraw/zinc/88/65/63/601886563.db2.gz YKASVHNYXZMSHI-DLBZAZTESA-N -1 1 399.369 2.227 20 0 GEADMM C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000828029225 601891963 /nfs/dbraw/zinc/89/19/63/601891963.db2.gz WSVMPHSGILPCQR-LEWJYISDSA-N -1 1 381.432 2.361 20 0 GEADMM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000829069307 601894894 /nfs/dbraw/zinc/89/48/94/601894894.db2.gz FCSNNSFSWWMVPI-ZWKOTPCHSA-N -1 1 379.844 2.251 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000263183574 601921198 /nfs/dbraw/zinc/92/11/98/601921198.db2.gz RUJRXURQFQEQMM-GOSISDBHSA-N -1 1 376.844 2.320 20 0 GEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000740642097 601938006 /nfs/dbraw/zinc/93/80/06/601938006.db2.gz LFLREGHJQYFLLF-HNNXBMFYSA-N -1 1 377.460 2.343 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000739313184 601950198 /nfs/dbraw/zinc/95/01/98/601950198.db2.gz NSTCGQMLYUAAAI-BBRMVZONSA-N -1 1 380.464 2.191 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167538 601968968 /nfs/dbraw/zinc/96/89/68/601968968.db2.gz HWRKINGLUWVHSJ-CJNGLKHVSA-N -1 1 399.422 2.242 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000828167270 601969296 /nfs/dbraw/zinc/96/92/96/601969296.db2.gz FEPZMMJFZWECHZ-JSGCOSHPSA-N -1 1 387.461 2.164 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CCC(CNC(=O)[O-])CC2)N2CCCC2)o1 ZINC000740119887 602021103 /nfs/dbraw/zinc/02/11/03/602021103.db2.gz ZYSIDZYXLNCNIJ-INIZCTEOSA-N -1 1 378.473 2.414 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C12CCC2 ZINC000829918504 602030186 /nfs/dbraw/zinc/03/01/86/602030186.db2.gz QSIBIWXRXZMZBX-IPMKNSEASA-N -1 1 386.492 2.304 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C12CCC2 ZINC000829918502 602030335 /nfs/dbraw/zinc/03/03/35/602030335.db2.gz QSIBIWXRXZMZBX-GBESFXJTSA-N -1 1 386.492 2.304 20 0 GEADMM CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000824347558 607541564 /nfs/dbraw/zinc/54/15/64/607541564.db2.gz DDNUDQQTXXFHQJ-HXUWFJFHSA-N -1 1 391.435 2.352 20 0 GEADMM CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000824347558 607541566 /nfs/dbraw/zinc/54/15/66/607541566.db2.gz DDNUDQQTXXFHQJ-HXUWFJFHSA-N -1 1 391.435 2.352 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])cc2[nH]c1=S ZINC000833039784 602055205 /nfs/dbraw/zinc/05/52/05/602055205.db2.gz QTMJQHLKFWUYEQ-KGLIPLIRSA-N -1 1 389.477 2.376 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000827694345 602055503 /nfs/dbraw/zinc/05/55/03/602055503.db2.gz DQHZWLWVOOYPOQ-QEJZJMRPSA-N -1 1 386.452 2.221 20 0 GEADMM C[C@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738982763 602057584 /nfs/dbraw/zinc/05/75/84/602057584.db2.gz SWTDNRMHHSKNOS-DLBZAZTESA-N -1 1 396.532 2.099 20 0 GEADMM C[C@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738982765 602057597 /nfs/dbraw/zinc/05/75/97/602057597.db2.gz SWTDNRMHHSKNOS-IRXDYDNUSA-N -1 1 396.532 2.099 20 0 GEADMM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000833100723 602058274 /nfs/dbraw/zinc/05/82/74/602058274.db2.gz LNUPWAVLCOOGMA-CABCVRRESA-N -1 1 386.452 2.223 20 0 GEADMM CCC(CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)N1CCOCC1 ZINC000739253649 602075937 /nfs/dbraw/zinc/07/59/37/602075937.db2.gz SFUFNUOROLSBIP-SZMVWBNQSA-N -1 1 398.548 2.201 20 0 GEADMM c1ccc2c(c1)OC[C@@H](c1nnc(SCc3ccnc(-c4nnn[n-]4)c3)o1)O2 ZINC000826524468 607543561 /nfs/dbraw/zinc/54/35/61/607543561.db2.gz WPXPPBHSSSTOQH-AWEZNQCLSA-N -1 1 395.404 2.450 20 0 GEADMM c1ccc2c(c1)OC[C@@H](c1nnc(SCc3ccnc(-c4nn[n-]n4)c3)o1)O2 ZINC000826524468 607543564 /nfs/dbraw/zinc/54/35/64/607543564.db2.gz WPXPPBHSSSTOQH-AWEZNQCLSA-N -1 1 395.404 2.450 20 0 GEADMM CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)N(C)C)cc1 ZINC000739544963 602084205 /nfs/dbraw/zinc/08/42/05/602084205.db2.gz YRJGMFWOFVQHBU-MRXNPFEDSA-N -1 1 399.451 2.092 20 0 GEADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H](C)CC(=O)[O-])CC2)c1C ZINC000831852216 602148250 /nfs/dbraw/zinc/14/82/50/602148250.db2.gz RRQDDYVJQXZHAE-ZDUSSCGKSA-N -1 1 377.485 2.241 20 0 GEADMM O=S(=O)(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCCCC1 ZINC000826496046 607546669 /nfs/dbraw/zinc/54/66/69/607546669.db2.gz JLHOTSLRCLIJSJ-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM O=S(=O)(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCCCC1 ZINC000826496046 607546670 /nfs/dbraw/zinc/54/66/70/607546670.db2.gz JLHOTSLRCLIJSJ-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826340745 607551986 /nfs/dbraw/zinc/55/19/86/607551986.db2.gz JCTBOUACIIODIT-ZIAGYGMSSA-N -1 1 382.424 2.057 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826340745 607551989 /nfs/dbraw/zinc/55/19/89/607551989.db2.gz JCTBOUACIIODIT-ZIAGYGMSSA-N -1 1 382.424 2.057 20 0 GEADMM CN(C)C(=O)CCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000830547577 602239192 /nfs/dbraw/zinc/23/91/92/602239192.db2.gz ZNMPIXDKXOHCEE-INIZCTEOSA-N -1 1 388.295 2.215 20 0 GEADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000740671653 602287838 /nfs/dbraw/zinc/28/78/38/602287838.db2.gz SYYKVYBIIASQEY-UHFFFAOYSA-N -1 1 376.457 2.425 20 0 GEADMM CC(C)CO[C@@H]1CCN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)C1 ZINC000826895552 602341929 /nfs/dbraw/zinc/34/19/29/602341929.db2.gz PVHYFSSMKLICNP-VQIMIIECSA-N -1 1 387.480 2.468 20 0 GEADMM COc1cccc([C@@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])N2CCCC2)c1 ZINC000739943789 602343910 /nfs/dbraw/zinc/34/39/10/602343910.db2.gz BMKGIRAVEZZYJO-HZPDHXFCSA-N -1 1 379.482 2.001 20 0 GEADMM Cn1cc(NC(=O)NCC2(CN3CCOCC3)CCCCC2)cc1C(=O)[O-] ZINC000833050745 602362664 /nfs/dbraw/zinc/36/26/64/602362664.db2.gz LZLARIRXZHDRSH-UHFFFAOYSA-N -1 1 378.473 2.128 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(CNC(=O)[O-])cc3)n2)cc1 ZINC000739877770 602363631 /nfs/dbraw/zinc/36/36/31/602363631.db2.gz BCGVADPOPQBBKF-UHFFFAOYSA-N -1 1 381.392 2.178 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)c3ccc(CNC(=O)[O-])cc3)n[nH]2)cc1 ZINC000739877770 602363633 /nfs/dbraw/zinc/36/36/33/602363633.db2.gz BCGVADPOPQBBKF-UHFFFAOYSA-N -1 1 381.392 2.178 20 0 GEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])cn2)CC1 ZINC000739736901 602366540 /nfs/dbraw/zinc/36/65/40/602366540.db2.gz SFDINJXTZLMYBE-OIISXLGYSA-N -1 1 387.484 2.083 20 0 GEADMM O=C([O-])N[C@@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000740687641 602390577 /nfs/dbraw/zinc/39/05/77/602390577.db2.gz WLUKQTLWANXFLT-HXUWFJFHSA-N -1 1 396.491 2.324 20 0 GEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738620533 602399272 /nfs/dbraw/zinc/39/92/72/602399272.db2.gz VRVSEFZDRJAIOL-OLZOCXBDSA-N -1 1 380.420 2.184 20 0 GEADMM CCN(CCNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000739430376 602439415 /nfs/dbraw/zinc/43/94/15/602439415.db2.gz DRLDCFOXPXCNAZ-HZPDHXFCSA-N -1 1 392.500 2.095 20 0 GEADMM C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000739020940 602461305 /nfs/dbraw/zinc/46/13/05/602461305.db2.gz LZUIOCNEBZTNAK-KSSFIOAISA-N -1 1 392.475 2.287 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@H]2CCCCN2C(=O)[O-])N2CCCC2)c1 ZINC000739945392 602492725 /nfs/dbraw/zinc/49/27/25/602492725.db2.gz KIOBANIIQPTMJT-MSOLQXFVSA-N -1 1 375.469 2.481 20 0 GEADMM O=C([O-])Nc1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)ccc1F ZINC000740692785 602508793 /nfs/dbraw/zinc/50/87/93/602508793.db2.gz GTRLDHIJJVLDAU-UHFFFAOYSA-N -1 1 379.432 2.490 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738630017 602530302 /nfs/dbraw/zinc/53/03/02/602530302.db2.gz IXFBRNUMNZKUIG-GJZGRUSLSA-N -1 1 388.468 2.072 20 0 GEADMM C[C@H](NC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000737679556 602531567 /nfs/dbraw/zinc/53/15/67/602531567.db2.gz AZPHPXWHCYOXAI-KBPBESRZSA-N -1 1 391.468 2.098 20 0 GEADMM O=S(=O)(Oc1ccc2c(c1)OCO2)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493658 607572795 /nfs/dbraw/zinc/57/27/95/607572795.db2.gz WJSVTHJZVNYKSO-UHFFFAOYSA-N -1 1 380.769 2.017 20 0 GEADMM CN(CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000739626854 602570143 /nfs/dbraw/zinc/57/01/43/602570143.db2.gz KBOQZNDSLFOAKG-UHFFFAOYSA-N -1 1 387.414 2.236 20 0 GEADMM COc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826219408 607573841 /nfs/dbraw/zinc/57/38/41/607573841.db2.gz AYNYKCFWLZGJLZ-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM COc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826219408 607573843 /nfs/dbraw/zinc/57/38/43/607573843.db2.gz AYNYKCFWLZGJLZ-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000739923852 602652583 /nfs/dbraw/zinc/65/25/83/602652583.db2.gz MKEZXDCQNGOOGH-UHFFFAOYSA-N -1 1 380.378 2.357 20 0 GEADMM O=S(=O)(N[C@H]1CCc2ccccc2C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489634 607579034 /nfs/dbraw/zinc/57/90/34/607579034.db2.gz WEXNYDJZSKTHQB-ZDUSSCGKSA-N -1 1 389.868 2.356 20 0 GEADMM O=S(=O)(N[C@H]1CCc2ccccc2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489634 607579036 /nfs/dbraw/zinc/57/90/36/607579036.db2.gz WEXNYDJZSKTHQB-ZDUSSCGKSA-N -1 1 389.868 2.356 20 0 GEADMM Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccccc3CN(C)C(=O)[O-])cc12 ZINC000740253864 602654748 /nfs/dbraw/zinc/65/47/48/602654748.db2.gz CEBPCNYRYCHTMS-UHFFFAOYSA-N -1 1 389.437 2.187 20 0 GEADMM COc1cccc([C@@H](CNC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945821 602655449 /nfs/dbraw/zinc/65/54/49/602655449.db2.gz PHEPKCUEOCAETL-CRAIPNDOSA-N -1 1 392.500 2.377 20 0 GEADMM CC(C)(O)CN1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000738757692 602711453 /nfs/dbraw/zinc/71/14/53/602711453.db2.gz LEBGKHPLIODRJK-UHFFFAOYSA-N -1 1 376.457 2.038 20 0 GEADMM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739152744 602746523 /nfs/dbraw/zinc/74/65/23/602746523.db2.gz MTWOZIQBTHTMQT-AWEZNQCLSA-N -1 1 378.448 2.184 20 0 GEADMM O=S(=O)(NCC1CCCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489929 607585675 /nfs/dbraw/zinc/58/56/75/607585675.db2.gz DSHRVSHYXUEBDS-UHFFFAOYSA-N -1 1 375.376 2.354 20 0 GEADMM C[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825115839 602791208 /nfs/dbraw/zinc/79/12/08/602791208.db2.gz SXYKZBSLGLBTCJ-CQSZACIVSA-N -1 1 392.475 2.145 20 0 GEADMM CC(C)[C@@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)NC(=O)[O-] ZINC000738790285 602796587 /nfs/dbraw/zinc/79/65/87/602796587.db2.gz VTUNRSICCPWDCK-QGZVFWFLSA-N -1 1 380.464 2.382 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000739929257 602798042 /nfs/dbraw/zinc/79/80/42/602798042.db2.gz CURWXJJBHVUBKN-AYMQEEERSA-N -1 1 393.484 2.248 20 0 GEADMM CN(C)Cc1cc(CNC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)ccc1F ZINC000739610072 602808098 /nfs/dbraw/zinc/80/80/98/602808098.db2.gz KJQREVIMXUTSRG-CQSZACIVSA-N -1 1 380.464 2.467 20 0 GEADMM CC(C)Oc1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000824333516 607591678 /nfs/dbraw/zinc/59/16/78/607591678.db2.gz LAPFNVARNUKBES-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NC[C@H](c1cccs1)N(C)C ZINC000739977487 602885272 /nfs/dbraw/zinc/88/52/72/602885272.db2.gz MYQMCICBEOKKOK-CJNGLKHVSA-N -1 1 377.466 2.485 20 0 GEADMM O=S(=O)(NCc1cc2c(s1)CCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492000 607592510 /nfs/dbraw/zinc/59/25/10/607592510.db2.gz NKZBCKNXDQHMBS-UHFFFAOYSA-N -1 1 393.469 2.425 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCCN1CCc2ccccc2C1 ZINC000739965356 602889074 /nfs/dbraw/zinc/88/90/74/602889074.db2.gz FMJSJRLYHGNEKN-LJQANCHMSA-N -1 1 383.448 2.178 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824641578 607593268 /nfs/dbraw/zinc/59/32/68/607593268.db2.gz XAZUZASIBAAQJG-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824641578 607593270 /nfs/dbraw/zinc/59/32/70/607593270.db2.gz XAZUZASIBAAQJG-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945240 602955604 /nfs/dbraw/zinc/95/56/04/602955604.db2.gz IXUBFYUCPQXIKH-DOTOQJQBSA-N -1 1 378.473 2.130 20 0 GEADMM O=S(=O)(N[C@H]1CCc2c1cccc2F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489452 607596790 /nfs/dbraw/zinc/59/67/90/607596790.db2.gz QAZFYVVEZRUVEP-ZDUSSCGKSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@H]1CCc2c1cccc2F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489452 607596792 /nfs/dbraw/zinc/59/67/92/607596792.db2.gz QAZFYVVEZRUVEP-ZDUSSCGKSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2c1cccc2F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489451 607596861 /nfs/dbraw/zinc/59/68/61/607596861.db2.gz QAZFYVVEZRUVEP-CYBMUJFWSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2c1cccc2F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489451 607596863 /nfs/dbraw/zinc/59/68/63/607596863.db2.gz QAZFYVVEZRUVEP-CYBMUJFWSA-N -1 1 377.376 2.111 20 0 GEADMM CCOc1cccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825649066 607600384 /nfs/dbraw/zinc/60/03/84/607600384.db2.gz KLCXZTPXYOCZCU-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM CCOc1cccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825649066 607600386 /nfs/dbraw/zinc/60/03/86/607600386.db2.gz KLCXZTPXYOCZCU-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM CCn1c(=O)c2ccc(-c3nc([C@@H](C)CN(C)C(=O)[O-])no3)cc2[nH]c1=S ZINC000739564347 603014198 /nfs/dbraw/zinc/01/41/98/603014198.db2.gz PJWOYGPAHHUTEL-VIFPVBQESA-N -1 1 389.437 2.468 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)CC(C)(C)NC(=O)[O-])CC2)c1 ZINC000740167602 603021106 /nfs/dbraw/zinc/02/11/06/603021106.db2.gz BJMZKEQSDJKJKO-UHFFFAOYSA-N -1 1 376.501 2.060 20 0 GEADMM O=S(=O)(N[C@@H]1CCCOc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487924 607603516 /nfs/dbraw/zinc/60/35/16/607603516.db2.gz DLWOOBFWLSSINT-CYBMUJFWSA-N -1 1 389.412 2.198 20 0 GEADMM O=S(=O)(N[C@@H]1CCCOc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487924 607603519 /nfs/dbraw/zinc/60/35/19/607603519.db2.gz DLWOOBFWLSSINT-CYBMUJFWSA-N -1 1 389.412 2.198 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COc3ccc(F)cc3)cc2)n1 ZINC000740681343 603057494 /nfs/dbraw/zinc/05/74/94/603057494.db2.gz HCUDRUALGZEFON-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COc3ccc(F)cc3)cc2)n[nH]1 ZINC000740681343 603057498 /nfs/dbraw/zinc/05/74/98/603057498.db2.gz HCUDRUALGZEFON-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059526 607604993 /nfs/dbraw/zinc/60/49/93/607604993.db2.gz GJFMYKAKHBYKDK-SMDDNHRTSA-N -1 1 390.444 2.244 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059526 607604994 /nfs/dbraw/zinc/60/49/94/607604994.db2.gz GJFMYKAKHBYKDK-SMDDNHRTSA-N -1 1 390.444 2.244 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000824029129 607606097 /nfs/dbraw/zinc/60/60/97/607606097.db2.gz FEDOOOLTXXIIRN-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000824029399 607606143 /nfs/dbraw/zinc/60/61/43/607606143.db2.gz JOEWOIZWJVAMRI-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000824029399 607606144 /nfs/dbraw/zinc/60/61/44/607606144.db2.gz JOEWOIZWJVAMRI-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CN(C[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1)C(=O)[O-] ZINC000739638438 603127865 /nfs/dbraw/zinc/12/78/65/603127865.db2.gz PSXGVJPVAXZBDF-GFCCVEGCSA-N -1 1 390.419 2.142 20 0 GEADMM CN(C[C@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1)C(=O)[O-] ZINC000739638438 603127871 /nfs/dbraw/zinc/12/78/71/603127871.db2.gz PSXGVJPVAXZBDF-GFCCVEGCSA-N -1 1 390.419 2.142 20 0 GEADMM CN(CCNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739692872 603139580 /nfs/dbraw/zinc/13/95/80/603139580.db2.gz BPYXRLUZCBJQHS-AWEZNQCLSA-N -1 1 388.390 2.189 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824104225 607609562 /nfs/dbraw/zinc/60/95/62/607609562.db2.gz PJPSYDBJYMOOEH-CYBMUJFWSA-N -1 1 388.428 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824104225 607609563 /nfs/dbraw/zinc/60/95/63/607609563.db2.gz PJPSYDBJYMOOEH-CYBMUJFWSA-N -1 1 388.428 2.095 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000826467282 607612498 /nfs/dbraw/zinc/61/24/98/607612498.db2.gz OZMKPTVPTOBVKF-UHFFFAOYSA-N -1 1 388.391 2.281 20 0 GEADMM CCc1nc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000825744956 607613033 /nfs/dbraw/zinc/61/30/33/607613033.db2.gz HFUMJOWMLINFQY-QMMMGPOBSA-N -1 1 382.446 2.064 20 0 GEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739456139 603205382 /nfs/dbraw/zinc/20/53/82/603205382.db2.gz MJVFCZLUQXFJQU-CYBMUJFWSA-N -1 1 380.876 2.420 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000830085328 603258233 /nfs/dbraw/zinc/25/82/33/603258233.db2.gz QXIYXDLYFZGCFW-INIZCTEOSA-N -1 1 375.473 2.011 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830086226 603258454 /nfs/dbraw/zinc/25/84/54/603258454.db2.gz ZGJXYPLZAMRCBL-QGZVFWFLSA-N -1 1 389.500 2.353 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827228052 603259791 /nfs/dbraw/zinc/25/97/91/603259791.db2.gz KUJJDJXHBAXKHA-HOTGVXAUSA-N -1 1 389.500 2.386 20 0 GEADMM CCc1ccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825712968 607618629 /nfs/dbraw/zinc/61/86/29/607618629.db2.gz YFDVUAYXTJTBOK-UHFFFAOYSA-N -1 1 375.429 2.089 20 0 GEADMM CCN(CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)C(=O)[O-] ZINC000739396763 603386497 /nfs/dbraw/zinc/38/64/97/603386497.db2.gz CMEYSPJOBKSYPH-UHFFFAOYSA-N -1 1 376.457 2.440 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])c2C1 ZINC000738765239 603424868 /nfs/dbraw/zinc/42/48/68/603424868.db2.gz HSXGFFOVJFVORG-AWEZNQCLSA-N -1 1 390.484 2.101 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3CSCCS3)cc2)n1 ZINC000832730975 603473846 /nfs/dbraw/zinc/47/38/46/603473846.db2.gz ZVQXDZPNRYGBAL-LLVKDONJSA-N -1 1 379.467 2.026 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3CSCCS3)cc2)n[nH]1 ZINC000832730975 603473848 /nfs/dbraw/zinc/47/38/48/603473848.db2.gz ZVQXDZPNRYGBAL-LLVKDONJSA-N -1 1 379.467 2.026 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1 ZINC000832326432 603487387 /nfs/dbraw/zinc/48/73/87/603487387.db2.gz RERRKKCIVSILMV-CHWSQXEVSA-N -1 1 387.440 2.164 20 0 GEADMM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825081254 603543049 /nfs/dbraw/zinc/54/30/49/603543049.db2.gz BCIIJXAGXMUYAN-LZWOXQAQSA-N -1 1 392.475 2.191 20 0 GEADMM CN(C[C@H]1CCCN1CC(=O)N1CCC(OCc2ccccc2)CC1)C(=O)[O-] ZINC000828223855 603580414 /nfs/dbraw/zinc/58/04/14/603580414.db2.gz QZBJTYFNPAWKCW-GOSISDBHSA-N -1 1 389.496 2.268 20 0 GEADMM O=S(=O)(NC1(c2cccc(F)c2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488053 607640354 /nfs/dbraw/zinc/64/03/54/607640354.db2.gz HNHBJAZZFPANKR-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM O=S(=O)(NC1(c2cccc(F)c2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488053 607640356 /nfs/dbraw/zinc/64/03/56/607640356.db2.gz HNHBJAZZFPANKR-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM COc1ccc([C@@H](CNC(=O)CC2CN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000829311820 603633416 /nfs/dbraw/zinc/63/34/16/603633416.db2.gz QRIYAEGLKTXWSM-GOSISDBHSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])N(CCCNC(=O)N1CCC(c2cnc[nH]2)CC1)Cc1cccnc1 ZINC000831826340 603633830 /nfs/dbraw/zinc/63/38/30/603633830.db2.gz QLTSKXILFXZRGL-UHFFFAOYSA-N -1 1 386.456 2.264 20 0 GEADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000824196068 603635954 /nfs/dbraw/zinc/63/59/54/603635954.db2.gz GMQZKKHJHSZJHM-CYBMUJFWSA-N -1 1 378.408 2.092 20 0 GEADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000824196068 603635958 /nfs/dbraw/zinc/63/59/58/603635958.db2.gz GMQZKKHJHSZJHM-CYBMUJFWSA-N -1 1 378.408 2.092 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000825146965 607644878 /nfs/dbraw/zinc/64/48/78/607644878.db2.gz GCALGQPOEQGEPX-GFCCVEGCSA-N -1 1 378.845 2.345 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000825146965 607644880 /nfs/dbraw/zinc/64/48/80/607644880.db2.gz GCALGQPOEQGEPX-GFCCVEGCSA-N -1 1 378.845 2.345 20 0 GEADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCN1C(=O)[O-] ZINC000825996375 603699985 /nfs/dbraw/zinc/69/99/85/603699985.db2.gz LKCLJHCJKRDZIJ-CQSZACIVSA-N -1 1 378.448 2.184 20 0 GEADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCN1C(=O)[O-] ZINC000825996374 603700039 /nfs/dbraw/zinc/70/00/39/603700039.db2.gz LKCLJHCJKRDZIJ-AWEZNQCLSA-N -1 1 378.448 2.184 20 0 GEADMM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NCC1(N2CCOCC2)CCCCC1 ZINC000831303452 603815368 /nfs/dbraw/zinc/81/53/68/603815368.db2.gz ATXRTORJNOJRAO-AYHJJNSGSA-N -1 1 393.528 2.449 20 0 GEADMM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000832349997 603841139 /nfs/dbraw/zinc/84/11/39/603841139.db2.gz LTATWAOSWJWNBA-ROUUACIJSA-N -1 1 381.517 2.164 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H]1c1cccc(F)c1 ZINC000826495409 607655531 /nfs/dbraw/zinc/65/55/31/607655531.db2.gz OMNQPDFCDGLWNV-AWEZNQCLSA-N -1 1 377.376 2.281 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824429820 607655559 /nfs/dbraw/zinc/65/55/59/607655559.db2.gz YVFKDIJYKQNEIM-VIFPVBQESA-N -1 1 397.382 2.366 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824427334 607655793 /nfs/dbraw/zinc/65/57/93/607655793.db2.gz LWNONEUWIRIJNL-VIFPVBQESA-N -1 1 397.382 2.366 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824427334 607655794 /nfs/dbraw/zinc/65/57/94/607655794.db2.gz LWNONEUWIRIJNL-VIFPVBQESA-N -1 1 397.382 2.366 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@]3(C)CCN(C(=O)[O-])C3)CC2)cc1 ZINC000829363597 603872578 /nfs/dbraw/zinc/87/25/78/603872578.db2.gz WQPWOTMWMJVACS-HXUWFJFHSA-N -1 1 375.469 2.120 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])N2CCCC2)c1 ZINC000829542721 603889735 /nfs/dbraw/zinc/88/97/35/603889735.db2.gz AZBOCUSBXOPMRS-FUHWJXTLSA-N -1 1 390.484 2.274 20 0 GEADMM CCOCCN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[C@@H]1CC ZINC000827399782 603898260 /nfs/dbraw/zinc/89/82/60/603898260.db2.gz PMKKEAQOONQMSN-XFYFCPPXSA-N -1 1 381.517 2.257 20 0 GEADMM Cc1cc(C)n(CCC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n1 ZINC000830018312 603911451 /nfs/dbraw/zinc/91/14/51/603911451.db2.gz WRZXDYBRSITFQF-UHFFFAOYSA-N -1 1 383.412 2.081 20 0 GEADMM Cc1cc(C)n(CCC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n1 ZINC000830018312 603911452 /nfs/dbraw/zinc/91/14/52/603911452.db2.gz WRZXDYBRSITFQF-UHFFFAOYSA-N -1 1 383.412 2.081 20 0 GEADMM CC(C)c1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n(C)n1 ZINC000824459735 603912007 /nfs/dbraw/zinc/91/20/07/603912007.db2.gz PRVPSTBPWGIJEL-UHFFFAOYSA-N -1 1 383.412 2.349 20 0 GEADMM CC(C)c1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n(C)n1 ZINC000824459735 603912012 /nfs/dbraw/zinc/91/20/12/603912012.db2.gz PRVPSTBPWGIJEL-UHFFFAOYSA-N -1 1 383.412 2.349 20 0 GEADMM Cn1nc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1C1CC1 ZINC000831051093 603913401 /nfs/dbraw/zinc/91/34/01/603913401.db2.gz XAKHQLJSXOMGJL-UHFFFAOYSA-N -1 1 381.396 2.103 20 0 GEADMM Cn1nc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1C1CC1 ZINC000831051093 603913404 /nfs/dbraw/zinc/91/34/04/603913404.db2.gz XAKHQLJSXOMGJL-UHFFFAOYSA-N -1 1 381.396 2.103 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2)n1 ZINC000832729980 603913713 /nfs/dbraw/zinc/91/37/13/603913713.db2.gz MTPNIGQCRCCWMY-UHFFFAOYSA-N -1 1 379.376 2.427 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2)n[nH]1 ZINC000832729980 603913716 /nfs/dbraw/zinc/91/37/16/603913716.db2.gz MTPNIGQCRCCWMY-UHFFFAOYSA-N -1 1 379.376 2.427 20 0 GEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3O)CCO2)n[nH]1 ZINC000823865056 603948267 /nfs/dbraw/zinc/94/82/67/603948267.db2.gz UFOZATPVYJGQEW-ZDUSSCGKSA-N -1 1 389.412 2.111 20 0 GEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3O)CCO2)[nH]1 ZINC000823865056 603948271 /nfs/dbraw/zinc/94/82/71/603948271.db2.gz UFOZATPVYJGQEW-ZDUSSCGKSA-N -1 1 389.412 2.111 20 0 GEADMM CN(CCN1c2cccc3cccc(c23)S1(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000828316134 603985596 /nfs/dbraw/zinc/98/55/96/603985596.db2.gz LOSCFPJFERCDCE-UHFFFAOYSA-N -1 1 389.477 2.423 20 0 GEADMM Cc1cnc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000826317852 607664566 /nfs/dbraw/zinc/66/45/66/607664566.db2.gz OQLARYLKXPSIFI-QMMMGPOBSA-N -1 1 384.874 2.325 20 0 GEADMM CCS[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825668562 607665796 /nfs/dbraw/zinc/66/57/96/607665796.db2.gz GRENQGLAAAJKRL-OLZOCXBDSA-N -1 1 385.490 2.348 20 0 GEADMM CC[C@@H](CO)N1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000826586680 604098533 /nfs/dbraw/zinc/09/85/33/604098533.db2.gz FSLXVGRQIHIENI-INIZCTEOSA-N -1 1 376.457 2.038 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000825218262 604120799 /nfs/dbraw/zinc/12/07/99/604120799.db2.gz JJTBXQNGRWAOSA-WBVHZDCISA-N -1 1 389.500 2.124 20 0 GEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825170495 607674604 /nfs/dbraw/zinc/67/46/04/607674604.db2.gz AILISWPSPYBYBG-KBPBESRZSA-N -1 1 397.476 2.220 20 0 GEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825170495 607674606 /nfs/dbraw/zinc/67/46/06/607674606.db2.gz AILISWPSPYBYBG-KBPBESRZSA-N -1 1 397.476 2.220 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000825254382 604160622 /nfs/dbraw/zinc/16/06/22/604160622.db2.gz MHAJNBUWCVUDAF-HUUCEWRRSA-N -1 1 384.480 2.421 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000825254380 604160688 /nfs/dbraw/zinc/16/06/88/604160688.db2.gz MHAJNBUWCVUDAF-CABCVRRESA-N -1 1 384.480 2.421 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(F)c1 ZINC000827994549 604160956 /nfs/dbraw/zinc/16/09/56/604160956.db2.gz MKUKIASYJGQOHI-IKGGRYGDSA-N -1 1 378.448 2.355 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1F ZINC000829356490 604180322 /nfs/dbraw/zinc/18/03/22/604180322.db2.gz KJGSQGXWTNIUJD-HIFRSBDPSA-N -1 1 381.448 2.161 20 0 GEADMM COc1ccc(CNC(=O)[C@H](C)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1OC ZINC000829372403 604186290 /nfs/dbraw/zinc/18/62/90/604186290.db2.gz RBNJXBOXIWPWGP-DZKIICNBSA-N -1 1 393.484 2.077 20 0 GEADMM Cn1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c(C(F)(F)F)n1 ZINC000826361894 607680545 /nfs/dbraw/zinc/68/05/45/607680545.db2.gz UNFARAFJWQTLLT-UHFFFAOYSA-N -1 1 375.318 2.174 20 0 GEADMM Cn1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c(C(F)(F)F)n1 ZINC000826361894 607680547 /nfs/dbraw/zinc/68/05/47/607680547.db2.gz UNFARAFJWQTLLT-UHFFFAOYSA-N -1 1 375.318 2.174 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000830385394 604249299 /nfs/dbraw/zinc/24/92/99/604249299.db2.gz DANPDHFKDMREPI-CABCVRRESA-N -1 1 376.457 2.320 20 0 GEADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCCN1CCC(OC)CC1 ZINC000829181707 604253370 /nfs/dbraw/zinc/25/33/70/604253370.db2.gz BLWFQYILIIYJOX-UHFFFAOYSA-N -1 1 385.848 2.279 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@H](N(C)C(=O)[O-])C3)n2)cc1 ZINC000830158816 604275248 /nfs/dbraw/zinc/27/52/48/604275248.db2.gz ASGAZDIHASOTHQ-CYBMUJFWSA-N -1 1 375.454 2.083 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCSC[C@H]3CC(=O)[O-])n2)cc1 ZINC000832907876 604286575 /nfs/dbraw/zinc/28/65/75/604286575.db2.gz PKMHLQNUQUFCIV-CYBMUJFWSA-N -1 1 392.506 2.291 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3ccc(NC(=O)[O-])c(OC)c3)CCO2)n[nH]1 ZINC000827621660 604309925 /nfs/dbraw/zinc/30/99/25/604309925.db2.gz UIMRHHYGJRXVAM-CYBMUJFWSA-N -1 1 390.400 2.071 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3cccc(CN(C)C(=O)[O-])c3)CCO2)n[nH]1 ZINC000827619789 604342778 /nfs/dbraw/zinc/34/27/78/604342778.db2.gz BMDFRJZMWSXCBR-AWEZNQCLSA-N -1 1 388.428 2.082 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830303982 604348650 /nfs/dbraw/zinc/34/86/50/604348650.db2.gz AKMDWHFQMHSHSN-AWEZNQCLSA-N -1 1 387.440 2.335 20 0 GEADMM CC(C)COC[C@H](O)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000826900425 604358199 /nfs/dbraw/zinc/35/81/99/604358199.db2.gz GIWXOOHEZLXKDB-QZTJIDSGSA-N -1 1 384.904 2.117 20 0 GEADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000832040543 604473068 /nfs/dbraw/zinc/47/30/68/604473068.db2.gz GJUJMLNOWBOQGK-XJKSGUPXSA-N -1 1 380.441 2.429 20 0 GEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC000832040229 604473155 /nfs/dbraw/zinc/47/31/55/604473155.db2.gz AWYYALBXAXSRPN-PBHICJAKSA-N -1 1 378.469 2.456 20 0 GEADMM O=C([O-])c1csc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000833151489 604476985 /nfs/dbraw/zinc/47/69/85/604476985.db2.gz PDPHILSOCUZDTL-HNNXBMFYSA-N -1 1 387.461 2.338 20 0 GEADMM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC000833666493 604502383 /nfs/dbraw/zinc/50/23/83/604502383.db2.gz ZKMOQUYWAMHTKS-UHFFFAOYSA-N -1 1 391.380 2.446 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000827948217 604528026 /nfs/dbraw/zinc/52/80/26/604528026.db2.gz AXZNUSZDHOKDNU-DOMZBBRYSA-N -1 1 387.461 2.337 20 0 GEADMM Cc1nnc([C@H]2CN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C(=O)[O-])CCO2)[nH]1 ZINC000832991934 604537150 /nfs/dbraw/zinc/53/71/50/604537150.db2.gz SDCIQJJLSCAXLI-CABCVRRESA-N -1 1 387.440 2.048 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000827375500 604546648 /nfs/dbraw/zinc/54/66/48/604546648.db2.gz XEQYJLUTVMOIFU-LBPRGKRZSA-N -1 1 396.875 2.055 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828170348 604551544 /nfs/dbraw/zinc/55/15/44/604551544.db2.gz YTNPYAKWGVSSQS-IUODEOHRSA-N -1 1 387.461 2.164 20 0 GEADMM Cc1cc([C@@H](C)OC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)oc1C(=O)[O-] ZINC000832872917 604579689 /nfs/dbraw/zinc/57/96/89/604579689.db2.gz XNODBIHJIWBWNX-LLVKDONJSA-N -1 1 398.375 2.394 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C1)N1CCCCC1 ZINC000739955868 604593017 /nfs/dbraw/zinc/59/30/17/604593017.db2.gz CXPUCPGBPCTJEL-WBVHZDCISA-N -1 1 390.484 2.274 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])N1CCCC1 ZINC000832594032 604674126 /nfs/dbraw/zinc/67/41/26/604674126.db2.gz BLPAMVYGOGFXIN-NVXWUHKLSA-N -1 1 375.469 2.481 20 0 GEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825380573 607708156 /nfs/dbraw/zinc/70/81/56/607708156.db2.gz RLYZKKYCEAYTPY-UHFFFAOYSA-N -1 1 378.458 2.010 20 0 GEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825380573 607708158 /nfs/dbraw/zinc/70/81/58/607708158.db2.gz RLYZKKYCEAYTPY-UHFFFAOYSA-N -1 1 378.458 2.010 20 0 GEADMM CC(C)OC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833502290 604689698 /nfs/dbraw/zinc/68/96/98/604689698.db2.gz LEKBBARGHGRYKM-UHFFFAOYSA-N -1 1 393.421 2.215 20 0 GEADMM CSC[C@@H]1CCCN1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000832758473 604701372 /nfs/dbraw/zinc/70/13/72/604701372.db2.gz GKILQWNUZGRSDY-WMLDXEAASA-N -1 1 375.494 2.107 20 0 GEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(CCOc3ccccc3Cl)CC2)O1 ZINC000833580693 604824208 /nfs/dbraw/zinc/82/42/08/604824208.db2.gz RHJXLWAUSZFEJE-HNNXBMFYSA-N -1 1 380.872 2.484 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cnn(-c2ccccc2)c1 ZINC000826295240 607717189 /nfs/dbraw/zinc/71/71/89/607717189.db2.gz YBBMJAFOIVVBHY-UHFFFAOYSA-N -1 1 384.403 2.119 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)Nc1ccc(Cl)cc1 ZINC000826294853 607717603 /nfs/dbraw/zinc/71/76/03/607717603.db2.gz GNUUYYVZKZGQKK-UHFFFAOYSA-N -1 1 395.810 2.177 20 0 GEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3csc(N4CCCC4=O)n3)[nH]c21 ZINC000833765375 604868122 /nfs/dbraw/zinc/86/81/22/604868122.db2.gz KUEMBCKKHDCSDI-UHFFFAOYSA-N -1 1 385.405 2.026 20 0 GEADMM Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n[nH]1 ZINC000832882981 604873850 /nfs/dbraw/zinc/87/38/50/604873850.db2.gz FISIJNRPNVPSNW-VIFPVBQESA-N -1 1 392.481 2.461 20 0 GEADMM CCN(CC)c1nc2sc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc2s1 ZINC000833654091 604900442 /nfs/dbraw/zinc/90/04/42/604900442.db2.gz AJKFFGNZUZHNJE-JTQLQIEISA-N -1 1 393.494 2.353 20 0 GEADMM CC(C)N(CC(=O)[O-])CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000263560502 604922376 /nfs/dbraw/zinc/92/23/76/604922376.db2.gz BNGIORLQVOZYNA-KRWDZBQOSA-N -1 1 381.904 2.388 20 0 GEADMM O=C([O-])c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000833153458 604945438 /nfs/dbraw/zinc/94/54/38/604945438.db2.gz CSKYHMBBKPYCGR-PKOBYXMFSA-N -1 1 383.448 2.389 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCN(C(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC000830160314 604959177 /nfs/dbraw/zinc/95/91/77/604959177.db2.gz QAGGOSMLRJXMDH-LBPRGKRZSA-N -1 1 375.454 2.083 20 0 GEADMM CN(C(=O)CN1CCC[C@@H]1CC(=O)[O-])c1ccccc1C(=O)NCc1ccco1 ZINC000833684737 604968096 /nfs/dbraw/zinc/96/80/96/604968096.db2.gz QQQRZMNWENGYFP-OAHLLOKOSA-N -1 1 399.447 2.112 20 0 GEADMM O=C([O-])CCc1csc(NC(=O)NC2CCN(Cc3ccccn3)CC2)n1 ZINC000833241033 604989997 /nfs/dbraw/zinc/98/99/97/604989997.db2.gz YPQYLWOCIROWDM-UHFFFAOYSA-N -1 1 389.481 2.341 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000833416185 605001705 /nfs/dbraw/zinc/00/17/05/605001705.db2.gz YOVZLRKLLKKWFP-GFCCVEGCSA-N -1 1 389.477 2.035 20 0 GEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833487424 605019669 /nfs/dbraw/zinc/01/96/69/605019669.db2.gz CRAJVERABRVUBP-UHFFFAOYSA-N -1 1 389.905 2.174 20 0 GEADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC000833511700 605023168 /nfs/dbraw/zinc/02/31/68/605023168.db2.gz BJIVCCBMVVOUOX-MRVPVSSYSA-N -1 1 379.804 2.096 20 0 GEADMM C[C@@H](OCCCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833536596 605043371 /nfs/dbraw/zinc/04/33/71/605043371.db2.gz RYSVNBPJGJUCQD-IAGOWNOFSA-N -1 1 377.485 2.345 20 0 GEADMM CC(C)OCc1ccccc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833505021 605043466 /nfs/dbraw/zinc/04/34/66/605043466.db2.gz FFFARSDYNZYRMO-MRXNPFEDSA-N -1 1 377.485 2.302 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833624908 605047123 /nfs/dbraw/zinc/04/71/23/605047123.db2.gz MCIKAFQFIIURKO-NOZJJQNGSA-N -1 1 392.399 2.165 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000833622652 605048426 /nfs/dbraw/zinc/04/84/26/605048426.db2.gz FKDWMXVPRHOQJQ-YVWKXTFCSA-N -1 1 389.496 2.345 20 0 GEADMM C[C@@H]1C(=O)Nc2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)ccc2N1C ZINC000833584148 605061761 /nfs/dbraw/zinc/06/17/61/605061761.db2.gz OKKJDRWBXPFUBZ-SECBINFHSA-N -1 1 379.376 2.290 20 0 GEADMM CC(=O)c1cccc(OCCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833403470 605104284 /nfs/dbraw/zinc/10/42/84/605104284.db2.gz LTJHFYOTJNNZOY-OAHLLOKOSA-N -1 1 376.453 2.056 20 0 GEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1OCC(C)C ZINC000833726791 605112727 /nfs/dbraw/zinc/11/27/27/605112727.db2.gz IYSLXCUPLNBJMQ-HNNXBMFYSA-N -1 1 378.469 2.351 20 0 GEADMM CCCOc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1OCC ZINC000833652309 605115631 /nfs/dbraw/zinc/11/56/31/605115631.db2.gz QMDPKLQAQFYDKL-HNNXBMFYSA-N -1 1 378.469 2.495 20 0 GEADMM CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21)C(=O)[O-] ZINC000827175865 605122854 /nfs/dbraw/zinc/12/28/54/605122854.db2.gz BDRGHOFXFBRSDY-OAHLLOKOSA-N -1 1 385.424 2.042 20 0 GEADMM COc1ccc(S(=O)(=O)NCc2nc3cccc(C)c3[nH]2)cc1C(=O)[O-] ZINC000833734046 605123982 /nfs/dbraw/zinc/12/39/82/605123982.db2.gz AKCBRQCGDRADND-UHFFFAOYSA-N -1 1 375.406 2.057 20 0 GEADMM COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(C)[nH]c3C(=O)[O-])cc2)CC1 ZINC000833701832 605124851 /nfs/dbraw/zinc/12/48/51/605124851.db2.gz JBCDRRPAHRMQAI-UHFFFAOYSA-N -1 1 378.406 2.027 20 0 GEADMM CN(C)C(=O)CCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833687459 605131140 /nfs/dbraw/zinc/13/11/40/605131140.db2.gz GWHQIQJBIBJAKT-MRXNPFEDSA-N -1 1 388.295 2.215 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCOc1ccc2ccccc2c1 ZINC000833622024 605135722 /nfs/dbraw/zinc/13/57/22/605135722.db2.gz DHXKPVWTKHUFIU-INIZCTEOSA-N -1 1 385.464 2.409 20 0 GEADMM Cc1ccc(-c2nc(CNC(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)co2)cc1 ZINC000833746383 605141087 /nfs/dbraw/zinc/14/10/87/605141087.db2.gz CSLPNGJQVDWFQN-HNNXBMFYSA-N -1 1 386.452 2.340 20 0 GEADMM O=C([O-])N[C@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000740591109 605141879 /nfs/dbraw/zinc/14/18/79/605141879.db2.gz WSOADBSDGBVHCW-JTQLQIEISA-N -1 1 379.214 2.321 20 0 GEADMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n[nH]1 ZINC000833511900 605143187 /nfs/dbraw/zinc/14/31/87/605143187.db2.gz DVSNSDRYQZRLRL-LLVKDONJSA-N -1 1 378.454 2.084 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000833625225 605156015 /nfs/dbraw/zinc/15/60/15/605156015.db2.gz KCFVHQOPSFVMCK-MRXNPFEDSA-N -1 1 382.464 2.471 20 0 GEADMM CC(=O)c1ccc(OCCCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833401992 605159944 /nfs/dbraw/zinc/15/99/44/605159944.db2.gz XINLMTGGBRGKJU-HNNXBMFYSA-N -1 1 376.453 2.056 20 0 GEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1Cl ZINC000485261065 605160491 /nfs/dbraw/zinc/16/04/91/605160491.db2.gz MSWNUIQRBSDMIV-UHFFFAOYSA-N -1 1 386.788 2.338 20 0 GEADMM CCN1C[C@H](C)N(C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C[C@@H]1C ZINC000833657650 605165119 /nfs/dbraw/zinc/16/51/19/605165119.db2.gz NNCZMHOPKUNUBJ-UWVGGRQHSA-N -1 1 383.470 2.488 20 0 GEADMM CCN1C[C@H](C)N(C(=O)Nc2c(C(=O)[O-])cc(OC)c(OC)c2OC)C[C@@H]1C ZINC000833656561 605165195 /nfs/dbraw/zinc/16/51/95/605165195.db2.gz JOEHZUCTNUGMLI-RYUDHWBXSA-N -1 1 395.456 2.357 20 0 GEADMM CC(C)C[C@@H](NC(=O)CN1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833478938 605199296 /nfs/dbraw/zinc/19/92/96/605199296.db2.gz WRCBAEIDZLFOIE-IEBWSBKVSA-N -1 1 375.513 2.371 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000833625097 605206154 /nfs/dbraw/zinc/20/61/54/605206154.db2.gz WEQKOYBMOBMYDJ-QQFBHYJXSA-N -1 1 397.516 2.077 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)nn1-c1cccc(Cl)c1 ZINC000833742285 605222104 /nfs/dbraw/zinc/22/21/04/605222104.db2.gz ITADOFDAGJESAV-AWEZNQCLSA-N -1 1 390.871 2.455 20 0 GEADMM O=C([O-])N1CCC[C@H](CNc2ccc3[nH]c(CCN4CCOCC4)nc3c2)C1 ZINC000831986407 605252276 /nfs/dbraw/zinc/25/22/76/605252276.db2.gz RBHABYGFXTUKEL-OAHLLOKOSA-N -1 1 387.484 2.240 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCN1CCC(=O)[O-] ZINC000833624715 605255100 /nfs/dbraw/zinc/25/51/00/605255100.db2.gz RXICDYLDRJNQFD-CYBMUJFWSA-N -1 1 376.844 2.147 20 0 GEADMM Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])cnc1Br ZINC000833747092 605264194 /nfs/dbraw/zinc/26/41/94/605264194.db2.gz QBNZJYCUZXSKNK-UHFFFAOYSA-N -1 1 378.229 2.108 20 0 GEADMM COC(=O)c1cc(NC(=O)[C@H](C)N[C@@H](C)c2cncc(F)c2)cc(C(=O)[O-])c1 ZINC000833713088 605271725 /nfs/dbraw/zinc/27/17/25/605271725.db2.gz NACBVAXVRQPGOU-QWRGUYRKSA-N -1 1 389.383 2.383 20 0 GEADMM CC[C@@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@H]1NC(=O)[O-] ZINC000833849560 605315687 /nfs/dbraw/zinc/31/56/87/605315687.db2.gz SFENQQZNMURART-RHSMWYFYSA-N -1 1 380.464 2.465 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C[C@H](c4ccccc4F)CC3=O)C[C@H]21 ZINC000834186631 605324617 /nfs/dbraw/zinc/32/46/17/605324617.db2.gz WVOOMQKEWGGBOW-GZOSKZMVSA-N -1 1 375.444 2.467 20 0 GEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1C ZINC000827337481 605339453 /nfs/dbraw/zinc/33/94/53/605339453.db2.gz DVVDUPJSGLCEHO-UHFFFAOYSA-N -1 1 382.398 2.094 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)N(C)C)c1 ZINC000829543480 605372583 /nfs/dbraw/zinc/37/25/83/605372583.db2.gz LEYJEVAANVQXJF-SJLPKXTDSA-N -1 1 390.484 2.224 20 0 GEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000833683072 605431269 /nfs/dbraw/zinc/43/12/69/605431269.db2.gz NASQYOLJKANSLE-ZDUSSCGKSA-N -1 1 380.466 2.339 20 0 GEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000833683198 605431289 /nfs/dbraw/zinc/43/12/89/605431289.db2.gz OAZJLHRMLZRGPP-OAHLLOKOSA-N -1 1 392.477 2.483 20 0 GEADMM Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830855130 605437769 /nfs/dbraw/zinc/43/77/69/605437769.db2.gz GGQHGUFSKGYNQG-UHFFFAOYSA-N -1 1 389.803 2.187 20 0 GEADMM Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830855130 605437775 /nfs/dbraw/zinc/43/77/75/605437775.db2.gz GGQHGUFSKGYNQG-UHFFFAOYSA-N -1 1 389.803 2.187 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cccc4[nH]ncc43)cc2)n1 ZINC000832729680 605439823 /nfs/dbraw/zinc/43/98/23/605439823.db2.gz IZEOQGBJZDHDTH-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cccc4[nH]ncc43)cc2)n[nH]1 ZINC000832729680 605439826 /nfs/dbraw/zinc/43/98/26/605439826.db2.gz IZEOQGBJZDHDTH-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C[C@@H]21 ZINC000834177772 605442442 /nfs/dbraw/zinc/44/24/42/605442442.db2.gz CNIURCQZUQUNNX-HZSPNIEDSA-N -1 1 386.408 2.333 20 0 GEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000834024899 605518775 /nfs/dbraw/zinc/51/87/75/605518775.db2.gz GEMJJUIJKIRTJQ-PBHICJAKSA-N -1 1 381.423 2.435 20 0 GEADMM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000831408252 605576052 /nfs/dbraw/zinc/57/60/52/605576052.db2.gz LPYHUWKWDLVEJY-CABCVRRESA-N -1 1 381.498 2.408 20 0 GEADMM O=C(C[C@H]1CSCCN1C(=O)[O-])NC[C@H](c1ccco1)N1CCCCC1 ZINC000831408256 605576719 /nfs/dbraw/zinc/57/67/19/605576719.db2.gz LPYHUWKWDLVEJY-LSDHHAIUSA-N -1 1 381.498 2.408 20 0 GEADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833919930 605615294 /nfs/dbraw/zinc/61/52/94/605615294.db2.gz QLLCPTUVJFCSCA-CVEARBPZSA-N -1 1 378.473 2.168 20 0 GEADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000833419252 605635859 /nfs/dbraw/zinc/63/58/59/605635859.db2.gz QIVRZLUSNOEPOX-UHFFFAOYSA-N -1 1 393.403 2.207 20 0 GEADMM Cc1ccc([C@H](CNC(=O)C[C@@H]2CSCCN2C(=O)[O-])N2CCCC2)o1 ZINC000830257255 605637406 /nfs/dbraw/zinc/63/74/06/605637406.db2.gz SDHBEOODFLBCGA-CABCVRRESA-N -1 1 381.498 2.327 20 0 GEADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824884324 607767985 /nfs/dbraw/zinc/76/79/85/607767985.db2.gz NIDRCTYMYWRQIJ-QWRGUYRKSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824884324 607767986 /nfs/dbraw/zinc/76/79/86/607767986.db2.gz NIDRCTYMYWRQIJ-QWRGUYRKSA-N -1 1 392.485 2.304 20 0 GEADMM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000834053104 605662054 /nfs/dbraw/zinc/66/20/54/605662054.db2.gz QOCDUMYVVMYDMQ-JKSUJKDBSA-N -1 1 393.403 2.190 20 0 GEADMM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000834053104 605662060 /nfs/dbraw/zinc/66/20/60/605662060.db2.gz QOCDUMYVVMYDMQ-JKSUJKDBSA-N -1 1 393.403 2.190 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n1 ZINC000834246726 605672345 /nfs/dbraw/zinc/67/23/45/605672345.db2.gz IMBPTIIHVATFIW-UHFFFAOYSA-N -1 1 389.359 2.473 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n[nH]1 ZINC000834246726 605672348 /nfs/dbraw/zinc/67/23/48/605672348.db2.gz IMBPTIIHVATFIW-UHFFFAOYSA-N -1 1 389.359 2.473 20 0 GEADMM CCc1ncc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)s1 ZINC000833867585 605684743 /nfs/dbraw/zinc/68/47/43/605684743.db2.gz UUHORLSLAMDZKI-UKRRQHHQSA-N -1 1 380.514 2.176 20 0 GEADMM N=C(NOCc1csc(Cc2ccccc2)n1)[C@@H]1COCCN1C(=O)[O-] ZINC000833980315 605731632 /nfs/dbraw/zinc/73/16/32/605731632.db2.gz NULODBZBZGECGM-AWEZNQCLSA-N -1 1 376.438 2.111 20 0 GEADMM O=C([O-])N[C@@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000834146529 605811838 /nfs/dbraw/zinc/81/18/38/605811838.db2.gz QXQZAOSMRFSPCC-KRWDZBQOSA-N -1 1 378.448 2.136 20 0 GEADMM O=C([O-])NC1CCC(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000834164292 605822422 /nfs/dbraw/zinc/82/24/22/605822422.db2.gz NTJUPUGRKPZNJT-HSBZDZAISA-N -1 1 376.461 2.150 20 0 GEADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834212907 605822737 /nfs/dbraw/zinc/82/27/37/605822737.db2.gz WKUZNCCVBPFGCS-IHRRRGAJSA-N -1 1 376.461 2.007 20 0 GEADMM CC(C)N1CCO[C@H](CN2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)C1 ZINC000833501507 605831664 /nfs/dbraw/zinc/83/16/64/605831664.db2.gz AOGQTTKDCGMPMK-GOSISDBHSA-N -1 1 395.931 2.265 20 0 GEADMM O=C([O-])N[C@@H](C(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccccc1 ZINC000834250846 605852650 /nfs/dbraw/zinc/85/26/50/605852650.db2.gz IVDHWMFQJQHWQX-LJQANCHMSA-N -1 1 389.496 2.346 20 0 GEADMM C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200095 605901133 /nfs/dbraw/zinc/90/11/33/605901133.db2.gz WRUOXWWUAPKMMF-GOEBONIOSA-N -1 1 381.432 2.275 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200095 605901135 /nfs/dbraw/zinc/90/11/35/605901135.db2.gz WRUOXWWUAPKMMF-GOEBONIOSA-N -1 1 381.432 2.275 20 0 GEADMM O=C([O-])NC[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc2ccccc2c1 ZINC000834207202 605974241 /nfs/dbraw/zinc/97/42/41/605974241.db2.gz PAIAYDMKDQHWNN-KRWDZBQOSA-N -1 1 377.404 2.274 20 0 GEADMM O=C([O-])N(CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000834003616 605976572 /nfs/dbraw/zinc/97/65/72/605976572.db2.gz MOYDDWDCWGJBIQ-KRWDZBQOSA-N -1 1 383.452 2.411 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccn(C(F)F)n3)cc2)n1 ZINC000834246704 605996665 /nfs/dbraw/zinc/99/66/65/605996665.db2.gz HXKNNPWCQODXMY-UHFFFAOYSA-N -1 1 377.311 2.083 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccn(C(F)F)n3)cc2)n[nH]1 ZINC000834246704 605996666 /nfs/dbraw/zinc/99/66/66/605996666.db2.gz HXKNNPWCQODXMY-UHFFFAOYSA-N -1 1 377.311 2.083 20 0 GEADMM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2C1 ZINC000834193344 606080115 /nfs/dbraw/zinc/08/01/15/606080115.db2.gz JTCNNWZJTPWDKI-OAHLLOKOSA-N -1 1 387.461 2.496 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC1(C)C ZINC000822459853 606120477 /nfs/dbraw/zinc/12/04/77/606120477.db2.gz ZEBDIAFZFJLMJD-OAHLLOKOSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC1(C)C ZINC000822459853 606120478 /nfs/dbraw/zinc/12/04/78/606120478.db2.gz ZEBDIAFZFJLMJD-OAHLLOKOSA-N -1 1 382.472 2.154 20 0 GEADMM COCCCOc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000821688592 606127977 /nfs/dbraw/zinc/12/79/77/606127977.db2.gz QZTXURCRAUCNCO-UHFFFAOYSA-N -1 1 399.455 2.486 20 0 GEADMM COCCCOc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000821688592 606127978 /nfs/dbraw/zinc/12/79/78/606127978.db2.gz QZTXURCRAUCNCO-UHFFFAOYSA-N -1 1 399.455 2.486 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820511705 606133718 /nfs/dbraw/zinc/13/37/18/606133718.db2.gz BFAOQIOFKORQKX-SNVBAGLBSA-N -1 1 386.437 2.178 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820511705 606133720 /nfs/dbraw/zinc/13/37/20/606133720.db2.gz BFAOQIOFKORQKX-SNVBAGLBSA-N -1 1 386.437 2.178 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccnc1Cl ZINC000820511870 606135571 /nfs/dbraw/zinc/13/55/71/606135571.db2.gz DQFDJGGPPBLZKI-SSDOTTSWSA-N -1 1 378.801 2.161 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccnc1Cl ZINC000820511870 606135572 /nfs/dbraw/zinc/13/55/72/606135572.db2.gz DQFDJGGPPBLZKI-SSDOTTSWSA-N -1 1 378.801 2.161 20 0 GEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822422884 606137192 /nfs/dbraw/zinc/13/71/92/606137192.db2.gz FJPJLIYALPWTDI-JTQLQIEISA-N -1 1 381.440 2.459 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(F)cc1F ZINC000820513118 606137310 /nfs/dbraw/zinc/13/73/10/606137310.db2.gz VFRYBDNGQKCLJG-SSDOTTSWSA-N -1 1 379.348 2.390 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(F)cc1F ZINC000820513118 606137311 /nfs/dbraw/zinc/13/73/11/606137311.db2.gz VFRYBDNGQKCLJG-SSDOTTSWSA-N -1 1 379.348 2.390 20 0 GEADMM Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822355974 606138420 /nfs/dbraw/zinc/13/84/20/606138420.db2.gz FELULIFJWLNDTB-GFCCVEGCSA-N -1 1 385.449 2.141 20 0 GEADMM Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822355974 606138421 /nfs/dbraw/zinc/13/84/21/606138421.db2.gz FELULIFJWLNDTB-GFCCVEGCSA-N -1 1 385.449 2.141 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000822608302 606159927 /nfs/dbraw/zinc/15/99/27/606159927.db2.gz CSDMUHCGLWDDBZ-UHFFFAOYSA-N -1 1 397.830 2.325 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000822608302 606159930 /nfs/dbraw/zinc/15/99/30/606159930.db2.gz CSDMUHCGLWDDBZ-UHFFFAOYSA-N -1 1 397.830 2.325 20 0 GEADMM Cc1noc(COc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)n1 ZINC000822528139 606179340 /nfs/dbraw/zinc/17/93/40/606179340.db2.gz USAXYHHJDPUGAG-UHFFFAOYSA-N -1 1 384.377 2.418 20 0 GEADMM Cc1noc(COc2ccc(OC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)n1 ZINC000822528139 606179341 /nfs/dbraw/zinc/17/93/41/606179341.db2.gz USAXYHHJDPUGAG-UHFFFAOYSA-N -1 1 384.377 2.418 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCc1ccccn1 ZINC000822535299 606193212 /nfs/dbraw/zinc/19/32/12/606193212.db2.gz MUDQHWDWAKQXDC-UHFFFAOYSA-N -1 1 377.408 2.269 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCc1ccccn1 ZINC000822535299 606193213 /nfs/dbraw/zinc/19/32/13/606193213.db2.gz MUDQHWDWAKQXDC-UHFFFAOYSA-N -1 1 377.408 2.269 20 0 GEADMM C[C@@H]1Sc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2NC1=O ZINC000820819172 606195056 /nfs/dbraw/zinc/19/50/56/606195056.db2.gz GDIYAGYECXVBKD-QMMMGPOBSA-N -1 1 382.405 2.257 20 0 GEADMM CC1(C)CC(=O)c2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c(=O)[nH]c2C1 ZINC000820586638 606195207 /nfs/dbraw/zinc/19/52/07/606195207.db2.gz YESOVVNQIBDQGV-UHFFFAOYSA-N -1 1 394.391 2.080 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]1Cc1ccccc1 ZINC000822004584 606197092 /nfs/dbraw/zinc/19/70/92/606197092.db2.gz IZPIVIFMWWJQQB-INIZCTEOSA-N -1 1 392.463 2.360 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC2(CCCC2)c2ccccc21 ZINC000823600928 606213098 /nfs/dbraw/zinc/21/30/98/606213098.db2.gz MJPWUWOGQJTPCP-UHFFFAOYSA-N -1 1 382.449 2.282 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC2(CCCC2)c2ccccc21 ZINC000823600928 606213100 /nfs/dbraw/zinc/21/31/00/606213100.db2.gz MJPWUWOGQJTPCP-UHFFFAOYSA-N -1 1 382.449 2.282 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2cccnc2)C(C)C)cc1-c1nn[n-]n1 ZINC000821979254 606294251 /nfs/dbraw/zinc/29/42/51/606294251.db2.gz QELXSYQJMAGEAK-CQSZACIVSA-N -1 1 399.480 2.254 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000823482818 606295333 /nfs/dbraw/zinc/29/53/33/606295333.db2.gz ADQKTRSXXSLZMQ-LLVKDONJSA-N -1 1 384.469 2.223 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000823482818 606295335 /nfs/dbraw/zinc/29/53/35/606295335.db2.gz ADQKTRSXXSLZMQ-LLVKDONJSA-N -1 1 384.469 2.223 20 0 GEADMM CC1CCN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cn2)CC1 ZINC000820728354 606297666 /nfs/dbraw/zinc/29/76/66/606297666.db2.gz VDRYERQXOJKYDU-UHFFFAOYSA-N -1 1 379.424 2.456 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000821970801 606299240 /nfs/dbraw/zinc/29/92/40/606299240.db2.gz SHEICSQZNGWKMT-GFCCVEGCSA-N -1 1 382.449 2.146 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000822535483 606327446 /nfs/dbraw/zinc/32/74/46/606327446.db2.gz SZBCWRODULPJPB-BFUOFWGJSA-N -1 1 384.440 2.230 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000822535483 606327448 /nfs/dbraw/zinc/32/74/48/606327448.db2.gz SZBCWRODULPJPB-BFUOFWGJSA-N -1 1 384.440 2.230 20 0 GEADMM Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822280240 606331486 /nfs/dbraw/zinc/33/14/86/606331486.db2.gz JCHKLPRSPVBGQZ-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000822605004 606346214 /nfs/dbraw/zinc/34/62/14/606346214.db2.gz UIUSDBMZFHDGEV-IBGZPJMESA-N -1 1 380.456 2.477 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000822605004 606346216 /nfs/dbraw/zinc/34/62/16/606346216.db2.gz UIUSDBMZFHDGEV-IBGZPJMESA-N -1 1 380.456 2.477 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000823791578 606421814 /nfs/dbraw/zinc/42/18/14/606421814.db2.gz FOESZTUSNJUUIO-LBPRGKRZSA-N -1 1 389.423 2.454 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000823791578 606421815 /nfs/dbraw/zinc/42/18/15/606421815.db2.gz FOESZTUSNJUUIO-LBPRGKRZSA-N -1 1 389.423 2.454 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1Cl ZINC000820445373 606433513 /nfs/dbraw/zinc/43/35/13/606433513.db2.gz PBOOPCMUQPKOAF-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1Cl ZINC000820445373 606433515 /nfs/dbraw/zinc/43/35/15/606433515.db2.gz PBOOPCMUQPKOAF-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c(F)ccc(F)c2C1 ZINC000823606512 606474258 /nfs/dbraw/zinc/47/42/58/606474258.db2.gz JKGSVGQCBHGASH-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c(F)ccc(F)c2C1 ZINC000823606512 606474259 /nfs/dbraw/zinc/47/42/59/606474259.db2.gz JKGSVGQCBHGASH-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823600034 606474586 /nfs/dbraw/zinc/47/45/86/606474586.db2.gz BZJXGBBTRHOLQK-KGLIPLIRSA-N -1 1 383.474 2.055 20 0 GEADMM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823366995 606497540 /nfs/dbraw/zinc/49/75/40/606497540.db2.gz CGCXREZKYWAFRO-UHFFFAOYSA-N -1 1 382.449 2.419 20 0 GEADMM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823366995 606497541 /nfs/dbraw/zinc/49/75/41/606497541.db2.gz CGCXREZKYWAFRO-UHFFFAOYSA-N -1 1 382.449 2.419 20 0 GEADMM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350158 606507763 /nfs/dbraw/zinc/50/77/63/606507763.db2.gz BCTSMTGUQCQCTP-GFCCVEGCSA-N -1 1 384.421 2.298 20 0 GEADMM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350158 606507765 /nfs/dbraw/zinc/50/77/65/606507765.db2.gz BCTSMTGUQCQCTP-GFCCVEGCSA-N -1 1 384.421 2.298 20 0 GEADMM CCOc1ccc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821418281 606520763 /nfs/dbraw/zinc/52/07/63/606520763.db2.gz YQGJLSHXEZVWJZ-UHFFFAOYSA-N -1 1 398.492 2.285 20 0 GEADMM CCOc1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821418281 606520765 /nfs/dbraw/zinc/52/07/65/606520765.db2.gz YQGJLSHXEZVWJZ-UHFFFAOYSA-N -1 1 398.492 2.285 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819939748 606526095 /nfs/dbraw/zinc/52/60/95/606526095.db2.gz IOWRUYUHMBUDDM-UHFFFAOYSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819939748 606526096 /nfs/dbraw/zinc/52/60/96/606526096.db2.gz IOWRUYUHMBUDDM-UHFFFAOYSA-N -1 1 378.458 2.058 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000820390537 606535942 /nfs/dbraw/zinc/53/59/42/606535942.db2.gz IGJPVWOZUOQQCC-JTQLQIEISA-N -1 1 384.421 2.376 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000820390537 606535943 /nfs/dbraw/zinc/53/59/43/606535943.db2.gz IGJPVWOZUOQQCC-JTQLQIEISA-N -1 1 384.421 2.376 20 0 GEADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)C1CCCCC1 ZINC000823151227 606538578 /nfs/dbraw/zinc/53/85/78/606538578.db2.gz XEZJVJPVJPHVKS-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)C1CCCCC1 ZINC000823151227 606538580 /nfs/dbraw/zinc/53/85/80/606538580.db2.gz XEZJVJPVJPHVKS-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821016637 606540366 /nfs/dbraw/zinc/54/03/66/606540366.db2.gz YDZCFSLOKDVKFH-NWDGAFQWSA-N -1 1 376.486 2.085 20 0 GEADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821016637 606540368 /nfs/dbraw/zinc/54/03/68/606540368.db2.gz YDZCFSLOKDVKFH-NWDGAFQWSA-N -1 1 376.486 2.085 20 0 GEADMM COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821899368 606543300 /nfs/dbraw/zinc/54/33/00/606543300.db2.gz XSGMZXJXOCXMGP-LBPRGKRZSA-N -1 1 384.465 2.193 20 0 GEADMM COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821899368 606543303 /nfs/dbraw/zinc/54/33/03/606543303.db2.gz XSGMZXJXOCXMGP-LBPRGKRZSA-N -1 1 384.465 2.193 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819933123 606543960 /nfs/dbraw/zinc/54/39/60/606543960.db2.gz GOUDSFANTXADFM-UHFFFAOYSA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819933123 606543961 /nfs/dbraw/zinc/54/39/61/606543961.db2.gz GOUDSFANTXADFM-UHFFFAOYSA-N -1 1 392.485 2.305 20 0 GEADMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821571842 606554766 /nfs/dbraw/zinc/55/47/66/606554766.db2.gz HWEANICPWDOBPB-UHFFFAOYSA-N -1 1 392.485 2.400 20 0 GEADMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821571842 606554768 /nfs/dbraw/zinc/55/47/68/606554768.db2.gz HWEANICPWDOBPB-UHFFFAOYSA-N -1 1 392.485 2.400 20 0 GEADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821321546 606554938 /nfs/dbraw/zinc/55/49/38/606554938.db2.gz ZSXPCJJGOLLYAA-ZDUSSCGKSA-N -1 1 385.449 2.175 20 0 GEADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821321546 606554939 /nfs/dbraw/zinc/55/49/39/606554939.db2.gz ZSXPCJJGOLLYAA-ZDUSSCGKSA-N -1 1 385.449 2.175 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823155462 606556078 /nfs/dbraw/zinc/55/60/78/606556078.db2.gz SVMBIFDIIFOQHD-SNVBAGLBSA-N -1 1 376.392 2.215 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823155462 606556079 /nfs/dbraw/zinc/55/60/79/606556079.db2.gz SVMBIFDIIFOQHD-SNVBAGLBSA-N -1 1 376.392 2.215 20 0 GEADMM COc1cc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821720583 606572997 /nfs/dbraw/zinc/57/29/97/606572997.db2.gz VQNZMTGOHFXDKV-UHFFFAOYSA-N -1 1 375.410 2.231 20 0 GEADMM COc1cc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821720583 606572999 /nfs/dbraw/zinc/57/29/99/606572999.db2.gz VQNZMTGOHFXDKV-UHFFFAOYSA-N -1 1 375.410 2.231 20 0 GEADMM CCc1ccc(CC)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000821480817 606577610 /nfs/dbraw/zinc/57/76/10/606577610.db2.gz FGMKLOSJJMQLET-UHFFFAOYSA-N -1 1 383.460 2.051 20 0 GEADMM CCc1ccc(CC)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000821480817 606577612 /nfs/dbraw/zinc/57/76/12/606577612.db2.gz FGMKLOSJJMQLET-UHFFFAOYSA-N -1 1 383.460 2.051 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000822609313 606578444 /nfs/dbraw/zinc/57/84/44/606578444.db2.gz MHHGAMJERSNREK-UHFFFAOYSA-N -1 1 390.407 2.450 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000822609313 606578446 /nfs/dbraw/zinc/57/84/46/606578446.db2.gz MHHGAMJERSNREK-UHFFFAOYSA-N -1 1 390.407 2.450 20 0 GEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820562171 606582087 /nfs/dbraw/zinc/58/20/87/606582087.db2.gz DQWIUCZSGBBDGP-UXMMLNGASA-N -1 1 375.479 2.499 20 0 GEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820562171 606582089 /nfs/dbraw/zinc/58/20/89/606582089.db2.gz DQWIUCZSGBBDGP-UXMMLNGASA-N -1 1 375.479 2.499 20 0 GEADMM O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1)c1ccccc1 ZINC000823176068 606583482 /nfs/dbraw/zinc/58/34/82/606583482.db2.gz POZSCIGQKVDKOI-ZDUSSCGKSA-N -1 1 396.476 2.210 20 0 GEADMM O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1)c1ccccc1 ZINC000823176068 606583484 /nfs/dbraw/zinc/58/34/84/606583484.db2.gz POZSCIGQKVDKOI-ZDUSSCGKSA-N -1 1 396.476 2.210 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCS[C@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821970151 606585059 /nfs/dbraw/zinc/58/50/59/606585059.db2.gz JEMOHEFUNOFJBK-NEPJUHHUSA-N -1 1 392.510 2.189 20 0 GEADMM COc1ccc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1OC ZINC000821787539 606590692 /nfs/dbraw/zinc/59/06/92/606590692.db2.gz VAWGRWFPOFAVSZ-CLFYSBASSA-N -1 1 397.439 2.487 20 0 GEADMM COc1ccc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1OC ZINC000821787539 606590694 /nfs/dbraw/zinc/59/06/94/606590694.db2.gz VAWGRWFPOFAVSZ-CLFYSBASSA-N -1 1 397.439 2.487 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000820380531 606596890 /nfs/dbraw/zinc/59/68/90/606596890.db2.gz VYSLPPOEXOGPRM-QMMMGPOBSA-N -1 1 378.343 2.084 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000820380531 606596891 /nfs/dbraw/zinc/59/68/91/606596891.db2.gz VYSLPPOEXOGPRM-QMMMGPOBSA-N -1 1 378.343 2.084 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(OCCCOc2ccccc2)C1 ZINC000823483314 606600916 /nfs/dbraw/zinc/60/09/16/606600916.db2.gz GTUXLFNEYJBOTP-UHFFFAOYSA-N -1 1 385.449 2.238 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(OCCCOc2ccccc2)C1 ZINC000823483314 606600918 /nfs/dbraw/zinc/60/09/18/606600918.db2.gz GTUXLFNEYJBOTP-UHFFFAOYSA-N -1 1 385.449 2.238 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(C(C)C)CC1 ZINC000822458955 606605478 /nfs/dbraw/zinc/60/54/78/606605478.db2.gz KJMZGSLGDZMSCP-UHFFFAOYSA-N -1 1 382.472 2.011 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(C(C)C)CC1 ZINC000822458955 606605480 /nfs/dbraw/zinc/60/54/80/606605480.db2.gz KJMZGSLGDZMSCP-UHFFFAOYSA-N -1 1 382.472 2.011 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000822534894 606622761 /nfs/dbraw/zinc/62/27/61/606622761.db2.gz BEFGDEQWZHUQLC-CQSZACIVSA-N -1 1 394.391 2.366 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000822534894 606622762 /nfs/dbraw/zinc/62/27/62/606622762.db2.gz BEFGDEQWZHUQLC-CQSZACIVSA-N -1 1 394.391 2.366 20 0 GEADMM Cc1cc(-n2c(C)cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2C)no1 ZINC000822154323 606647262 /nfs/dbraw/zinc/64/72/62/606647262.db2.gz VDOLOTUXEGJITI-UHFFFAOYSA-N -1 1 379.380 2.323 20 0 GEADMM Cc1cc(-n2c(C)cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2C)no1 ZINC000822154323 606647263 /nfs/dbraw/zinc/64/72/63/606647263.db2.gz VDOLOTUXEGJITI-UHFFFAOYSA-N -1 1 379.380 2.323 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823435874 606647600 /nfs/dbraw/zinc/64/76/00/606647600.db2.gz CDAJRTYKMJSSJB-LBPRGKRZSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823435874 606647601 /nfs/dbraw/zinc/64/76/01/606647601.db2.gz CDAJRTYKMJSSJB-LBPRGKRZSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(C=Cc1ccc(Br)o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822928931 606652082 /nfs/dbraw/zinc/65/20/82/606652082.db2.gz NIKRDYQLFDIQMZ-RQOWECAXSA-N -1 1 376.170 2.374 20 0 GEADMM O=C(C=Cc1ccc(Br)o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822928931 606652083 /nfs/dbraw/zinc/65/20/83/606652083.db2.gz NIKRDYQLFDIQMZ-RQOWECAXSA-N -1 1 376.170 2.374 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000823478345 606752705 /nfs/dbraw/zinc/75/27/05/606752705.db2.gz JMSZVPUCHROQGK-UHFFFAOYSA-N -1 1 376.298 2.320 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOc2ccc(C(F)(F)F)cc21 ZINC000823478345 606752706 /nfs/dbraw/zinc/75/27/06/606752706.db2.gz JMSZVPUCHROQGK-UHFFFAOYSA-N -1 1 376.298 2.320 20 0 GEADMM COC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821666014 606759776 /nfs/dbraw/zinc/75/97/76/606759776.db2.gz RCJLFUQXQRBMLK-SNVBAGLBSA-N -1 1 385.355 2.089 20 0 GEADMM COC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821666014 606759778 /nfs/dbraw/zinc/75/97/78/606759778.db2.gz RCJLFUQXQRBMLK-SNVBAGLBSA-N -1 1 385.355 2.089 20 0 GEADMM CCO[C@@H](CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(C)C ZINC000821351233 606766040 /nfs/dbraw/zinc/76/60/40/606766040.db2.gz NOCBPCZVMUPILF-LBPRGKRZSA-N -1 1 379.417 2.009 20 0 GEADMM COCCC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCCC1 ZINC000821686441 606766182 /nfs/dbraw/zinc/76/61/82/606766182.db2.gz QFFUSSWGZCVSFZ-UHFFFAOYSA-N -1 1 391.428 2.155 20 0 GEADMM CCCCCC[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821050071 606820548 /nfs/dbraw/zinc/82/05/48/606820548.db2.gz PHBFHDYNOCWSGB-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCCC[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821050071 606820549 /nfs/dbraw/zinc/82/05/49/606820549.db2.gz PHBFHDYNOCWSGB-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCCCCCC1 ZINC000820775828 606821192 /nfs/dbraw/zinc/82/11/92/606821192.db2.gz JHSQPCSRJIGGBP-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCCCCCC1 ZINC000820775828 606821193 /nfs/dbraw/zinc/82/11/93/606821193.db2.gz JHSQPCSRJIGGBP-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000823123126 606824235 /nfs/dbraw/zinc/82/42/35/606824235.db2.gz OSWJGOOQDDWRJH-IBGZPJMESA-N -1 1 392.463 2.466 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1Cc1ccccc1 ZINC000823605856 606841238 /nfs/dbraw/zinc/84/12/38/606841238.db2.gz BZJRDHTYFRXRHS-HNNXBMFYSA-N -1 1 387.440 2.402 20 0 GEADMM CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821215915 606842034 /nfs/dbraw/zinc/84/20/34/606842034.db2.gz XUGCSCBPNOQUEN-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM CC[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820903480 606855242 /nfs/dbraw/zinc/85/52/42/606855242.db2.gz VNPWXRZALGJBTB-ZBFHGGJFSA-N -1 1 398.515 2.300 20 0 GEADMM CC[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820903480 606855243 /nfs/dbraw/zinc/85/52/43/606855243.db2.gz VNPWXRZALGJBTB-ZBFHGGJFSA-N -1 1 398.515 2.300 20 0 GEADMM O[C@@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823672756 606877447 /nfs/dbraw/zinc/87/74/47/606877447.db2.gz GUZXMZUDXWEIEX-HIFRSBDPSA-N -1 1 386.843 2.244 20 0 GEADMM O[C@@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823672756 606877449 /nfs/dbraw/zinc/87/74/49/606877449.db2.gz GUZXMZUDXWEIEX-HIFRSBDPSA-N -1 1 386.843 2.244 20 0 GEADMM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1F ZINC000822238517 606884525 /nfs/dbraw/zinc/88/45/25/606884525.db2.gz KQWBQKJUOIXADJ-UHFFFAOYSA-N -1 1 383.355 2.071 20 0 GEADMM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820814201 606889482 /nfs/dbraw/zinc/88/94/82/606889482.db2.gz STPPJKPGAFAHNH-RFAUZJTJSA-N -1 1 391.403 2.357 20 0 GEADMM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820814202 606889741 /nfs/dbraw/zinc/88/97/41/606889741.db2.gz STPPJKPGAFAHNH-VFZGTOFNSA-N -1 1 391.403 2.357 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ccc(F)cn2)c1-c1nn[n-]n1 ZINC000821988861 606940271 /nfs/dbraw/zinc/94/02/71/606940271.db2.gz HVSNJQIBZZOBHJ-UHFFFAOYSA-N -1 1 385.428 2.325 20 0 GEADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000822946469 606955191 /nfs/dbraw/zinc/95/51/91/606955191.db2.gz XXIHNJBVIBTWAC-ZDUSSCGKSA-N -1 1 383.433 2.042 20 0 GEADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822946469 606955196 /nfs/dbraw/zinc/95/51/96/606955196.db2.gz XXIHNJBVIBTWAC-ZDUSSCGKSA-N -1 1 383.433 2.042 20 0 GEADMM COC(C)(C)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821672321 606987319 /nfs/dbraw/zinc/98/73/19/606987319.db2.gz GLQNLNVURLMFPM-UHFFFAOYSA-N -1 1 376.486 2.358 20 0 GEADMM CC=C(C=CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)CC ZINC000820825866 606995282 /nfs/dbraw/zinc/99/52/82/606995282.db2.gz GCQANMVVAVXUEE-IQTRCOIWSA-N -1 1 383.456 2.293 20 0 GEADMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)n[nH]1 ZINC000822211474 607018808 /nfs/dbraw/zinc/01/88/08/607018808.db2.gz AGEGVFIAADMZLK-UHFFFAOYSA-N -1 1 397.420 2.491 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000823382633 607024736 /nfs/dbraw/zinc/02/47/36/607024736.db2.gz BHGVIBPUQISKBP-UHFFFAOYSA-N -1 1 399.417 2.428 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000823382633 607024737 /nfs/dbraw/zinc/02/47/37/607024737.db2.gz BHGVIBPUQISKBP-UHFFFAOYSA-N -1 1 399.417 2.428 20 0 GEADMM COc1ccc(-c2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)n[nH]2)cc1 ZINC000821728024 607092509 /nfs/dbraw/zinc/09/25/09/607092509.db2.gz QXDMVXAEAFQHCY-UHFFFAOYSA-N -1 1 377.364 2.017 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820549273 607104037 /nfs/dbraw/zinc/10/40/37/607104037.db2.gz LOZAQWWFZDDIOW-SSDOTTSWSA-N -1 1 395.242 2.492 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820549273 607104038 /nfs/dbraw/zinc/10/40/38/607104038.db2.gz LOZAQWWFZDDIOW-SSDOTTSWSA-N -1 1 395.242 2.492 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2ccc(F)c(F)c2C1 ZINC000823607798 607146513 /nfs/dbraw/zinc/14/65/13/607146513.db2.gz XJRJIMWOSADXHX-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM CC(C)Sc1c(Cl)cccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820184233 607218705 /nfs/dbraw/zinc/21/87/05/607218705.db2.gz XUDNPPZRXACYIX-UHFFFAOYSA-N -1 1 378.849 2.251 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]2C[C@H](C)O)c1-c1nn[n-]n1 ZINC000826231259 607779094 /nfs/dbraw/zinc/77/90/94/607779094.db2.gz DOSQZAYIJAPDHG-CMPLNLGQSA-N -1 1 388.497 2.237 20 0 GEADMM CCOc1ccccc1C(F)(F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825654317 607805664 /nfs/dbraw/zinc/80/56/64/607805664.db2.gz WYJCABCVWVWWFW-UHFFFAOYSA-N -1 1 375.335 2.496 20 0 GEADMM CCOc1ccccc1C(F)(F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825654317 607805665 /nfs/dbraw/zinc/80/56/65/607805665.db2.gz WYJCABCVWVWWFW-UHFFFAOYSA-N -1 1 375.335 2.496 20 0 GEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010500 607849565 /nfs/dbraw/zinc/84/95/65/607849565.db2.gz LEKLOLIDNPEPEN-XJKSGUPXSA-N -1 1 387.806 2.438 20 0 GEADMM CN1C(=O)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010500 607849566 /nfs/dbraw/zinc/84/95/66/607849566.db2.gz LEKLOLIDNPEPEN-XJKSGUPXSA-N -1 1 387.806 2.438 20 0 GEADMM Cc1cnc(CCN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000826318681 607853067 /nfs/dbraw/zinc/85/30/67/607853067.db2.gz VBIQXFRCDIAQJM-UHFFFAOYSA-N -1 1 398.901 2.148 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)c1-c1nn[n-]n1 ZINC000826231459 607863043 /nfs/dbraw/zinc/86/30/43/607863043.db2.gz MCOUVTNWGNKUHR-SMDDNHRTSA-N -1 1 388.497 2.094 20 0 GEADMM CCc1c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cnn1CC(C)C ZINC000825687917 607927001 /nfs/dbraw/zinc/92/70/01/607927001.db2.gz NXQZICCPTOMFBA-UHFFFAOYSA-N -1 1 385.476 2.485 20 0 GEADMM CCc1c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cnn1CC(C)C ZINC000825687917 607927002 /nfs/dbraw/zinc/92/70/02/607927002.db2.gz NXQZICCPTOMFBA-UHFFFAOYSA-N -1 1 385.476 2.485 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000824148009 607927191 /nfs/dbraw/zinc/92/71/91/607927191.db2.gz KLCJJYRKFABDEQ-LLVKDONJSA-N -1 1 388.457 2.379 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000824148009 607927192 /nfs/dbraw/zinc/92/71/92/607927192.db2.gz KLCJJYRKFABDEQ-LLVKDONJSA-N -1 1 388.457 2.379 20 0 GEADMM COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826103495 607998086 /nfs/dbraw/zinc/99/80/86/607998086.db2.gz IDCQTWJUHLUXMT-SNVBAGLBSA-N -1 1 399.432 2.478 20 0 GEADMM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824338332 607998438 /nfs/dbraw/zinc/99/84/38/607998438.db2.gz XQACSZAOUPHYPS-UHFFFAOYSA-N -1 1 387.421 2.007 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103457 607998486 /nfs/dbraw/zinc/99/84/86/607998486.db2.gz ATHJZIOQBNNDDC-SFHVURJKSA-N -1 1 388.428 2.300 20 0 GEADMM C[C@](O)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000824669898 607999078 /nfs/dbraw/zinc/99/90/78/607999078.db2.gz HXAHQYHWBQINFZ-MRXNPFEDSA-N -1 1 393.325 2.437 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000826450851 607999550 /nfs/dbraw/zinc/99/95/50/607999550.db2.gz GOORKYOLDVTJHV-GOSISDBHSA-N -1 1 395.419 2.448 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n[nH]c1-c1ccccc1 ZINC000826233325 608012138 /nfs/dbraw/zinc/01/21/38/608012138.db2.gz CLFZNQQSSSWVDG-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM CC(C)(C)c1cc(NC(=O)Cn2ccnc2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC000824129678 608013021 /nfs/dbraw/zinc/01/30/21/608013021.db2.gz DTGRLISFSBHGIG-UHFFFAOYSA-N -1 1 391.439 2.185 20 0 GEADMM CC(C)(C)c1cc(NC(=O)Cn2ccnc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC000824129678 608013022 /nfs/dbraw/zinc/01/30/22/608013022.db2.gz DTGRLISFSBHGIG-UHFFFAOYSA-N -1 1 391.439 2.185 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000826424949 608013664 /nfs/dbraw/zinc/01/36/64/608013664.db2.gz JQXSELMBFCZTMF-UHFFFAOYSA-N -1 1 375.392 2.281 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(OCc2ccccc2)cc1 ZINC000826424949 608013665 /nfs/dbraw/zinc/01/36/65/608013665.db2.gz JQXSELMBFCZTMF-UHFFFAOYSA-N -1 1 375.392 2.281 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ncc(C2CC2)o1 ZINC000826233050 608028304 /nfs/dbraw/zinc/02/83/04/608028304.db2.gz RZYXRFSKKPXYOY-UHFFFAOYSA-N -1 1 384.396 2.126 20 0 GEADMM Cc1c(Cl)cc(F)c(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1F ZINC000826236577 608054226 /nfs/dbraw/zinc/05/42/26/608054226.db2.gz SHCFJJJZVKABMJ-UHFFFAOYSA-N -1 1 386.771 2.303 20 0 GEADMM Cc1c(Cl)cc(F)c(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1F ZINC000826236577 608054227 /nfs/dbraw/zinc/05/42/27/608054227.db2.gz SHCFJJJZVKABMJ-UHFFFAOYSA-N -1 1 386.771 2.303 20 0 GEADMM O=C(Nc1nnn[n-]1)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000826460616 608071144 /nfs/dbraw/zinc/07/11/44/608071144.db2.gz KJZCFIWUGSAIEU-UHFFFAOYSA-N -1 1 383.759 2.078 20 0 GEADMM O=C(Nc1nn[n-]n1)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000826460616 608071145 /nfs/dbraw/zinc/07/11/45/608071145.db2.gz KJZCFIWUGSAIEU-UHFFFAOYSA-N -1 1 383.759 2.078 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1-c1nn[n-]n1 ZINC000826229713 608087173 /nfs/dbraw/zinc/08/71/73/608087173.db2.gz OGDRZIDCFLJPKJ-UHFFFAOYSA-N -1 1 394.420 2.332 20 0 GEADMM O=S(=O)([N-]c1cccc(O)c1)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000826492937 608095379 /nfs/dbraw/zinc/09/53/79/608095379.db2.gz MEDAQBPZUVJRMF-UHFFFAOYSA-N -1 1 396.226 2.136 20 0 GEADMM Cc1ccc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)cc1 ZINC000826285899 608125155 /nfs/dbraw/zinc/12/51/55/608125155.db2.gz NEXZCFAECQSFHQ-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1ccc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)cc1 ZINC000826285899 608125156 /nfs/dbraw/zinc/12/51/56/608125156.db2.gz NEXZCFAECQSFHQ-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1cccc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)c1 ZINC000826297901 608125424 /nfs/dbraw/zinc/12/54/24/608125424.db2.gz WINLARIKUORWFG-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1cccc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)c1 ZINC000826297900 608125563 /nfs/dbraw/zinc/12/55/63/608125563.db2.gz WINLARIKUORWFG-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC1CC(OC(C)(C)C)C1 ZINC000826233229 608146271 /nfs/dbraw/zinc/14/62/71/608146271.db2.gz YWFWXRFHWLYHEV-UHFFFAOYSA-N -1 1 389.456 2.406 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CC12CCCCC2 ZINC000826328146 608165317 /nfs/dbraw/zinc/16/53/17/608165317.db2.gz HIOUNIFZMGTRAO-INIZCTEOSA-N -1 1 394.483 2.298 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC12CCCCC2 ZINC000826328146 608165318 /nfs/dbraw/zinc/16/53/18/608165318.db2.gz HIOUNIFZMGTRAO-INIZCTEOSA-N -1 1 394.483 2.298 20 0 GEADMM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426510 608168620 /nfs/dbraw/zinc/16/86/20/608168620.db2.gz OVOJQHYWSMFVTM-SNVBAGLBSA-N -1 1 383.355 2.410 20 0 GEADMM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426510 608168621 /nfs/dbraw/zinc/16/86/21/608168621.db2.gz OVOJQHYWSMFVTM-SNVBAGLBSA-N -1 1 383.355 2.410 20 0 GEADMM CCN(CC(=O)Nc1ccccc1OC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825399006 608170515 /nfs/dbraw/zinc/17/05/15/608170515.db2.gz FBRCRKFEFZRLGM-UHFFFAOYSA-N -1 1 393.860 2.450 20 0 GEADMM CCN(CC(=O)Nc1ccccc1OC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825399006 608170516 /nfs/dbraw/zinc/17/05/16/608170516.db2.gz FBRCRKFEFZRLGM-UHFFFAOYSA-N -1 1 393.860 2.450 20 0 GEADMM Clc1nsc(Sc2nnnn2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826354798 608172572 /nfs/dbraw/zinc/17/25/72/608172572.db2.gz VHZZKGLDBRSEJB-UHFFFAOYSA-N -1 1 377.846 2.163 20 0 GEADMM Clc1nsc(Sc2nnnn2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826354798 608172573 /nfs/dbraw/zinc/17/25/73/608172573.db2.gz VHZZKGLDBRSEJB-UHFFFAOYSA-N -1 1 377.846 2.163 20 0 GEADMM CC(C)c1ccc([C@@H]2CCCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000824348010 608180197 /nfs/dbraw/zinc/18/01/97/608180197.db2.gz WQXUYLYUKABSFV-INIZCTEOSA-N -1 1 380.456 2.335 20 0 GEADMM CCn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000825796217 608190589 /nfs/dbraw/zinc/19/05/89/608190589.db2.gz AFEKHGZIWDXIFC-UHFFFAOYSA-N -1 1 392.861 2.196 20 0 GEADMM CCn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000825796217 608190590 /nfs/dbraw/zinc/19/05/90/608190590.db2.gz AFEKHGZIWDXIFC-UHFFFAOYSA-N -1 1 392.861 2.196 20 0 GEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824977909 608191655 /nfs/dbraw/zinc/19/16/55/608191655.db2.gz STKNVPJXGYFUSR-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824977909 608191656 /nfs/dbraw/zinc/19/16/56/608191656.db2.gz STKNVPJXGYFUSR-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM CC[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825082738 608211084 /nfs/dbraw/zinc/21/10/84/608211084.db2.gz VGGIMFNSRYOLEG-ZDUSSCGKSA-N -1 1 382.472 2.147 20 0 GEADMM CC[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825082738 608211085 /nfs/dbraw/zinc/21/10/85/608211085.db2.gz VGGIMFNSRYOLEG-ZDUSSCGKSA-N -1 1 382.472 2.147 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000825934733 608211706 /nfs/dbraw/zinc/21/17/06/608211706.db2.gz QZKCBHGFGFUDEV-UHFFFAOYSA-N -1 1 399.846 2.012 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000825934733 608211707 /nfs/dbraw/zinc/21/17/07/608211707.db2.gz QZKCBHGFGFUDEV-UHFFFAOYSA-N -1 1 399.846 2.012 20 0 GEADMM C[C@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824874066 608212969 /nfs/dbraw/zinc/21/29/69/608212969.db2.gz BDDOPVWKYFFADO-QWHCGFSZSA-N -1 1 388.520 2.416 20 0 GEADMM C[C@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824874066 608212970 /nfs/dbraw/zinc/21/29/70/608212970.db2.gz BDDOPVWKYFFADO-QWHCGFSZSA-N -1 1 388.520 2.416 20 0 GEADMM Cn1ccc(CNC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000826362914 608237359 /nfs/dbraw/zinc/23/73/59/608237359.db2.gz OBMVQHYZJCDTRX-UHFFFAOYSA-N -1 1 394.464 2.328 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974578 608245041 /nfs/dbraw/zinc/24/50/41/608245041.db2.gz BMBNAIWVMREUOE-WDEREUQCSA-N -1 1 392.485 2.398 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974578 608245042 /nfs/dbraw/zinc/24/50/42/608245042.db2.gz BMBNAIWVMREUOE-WDEREUQCSA-N -1 1 392.485 2.398 20 0 GEADMM O=S(=O)(Oc1ccc2cncnc2c1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493486 608250066 /nfs/dbraw/zinc/25/00/66/608250066.db2.gz MUCANXFCBHYBCX-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM Cc1sc2nc(COC(=O)c3ccc(-c4nnn[n-]4)s3)nc(N)c2c1C ZINC000826350493 608255643 /nfs/dbraw/zinc/25/56/43/608255643.db2.gz YSTRHJPPGJGCNT-UHFFFAOYSA-N -1 1 387.450 2.489 20 0 GEADMM Cc1sc2nc(COC(=O)c3ccc(-c4nn[n-]n4)s3)nc(N)c2c1C ZINC000826350493 608255644 /nfs/dbraw/zinc/25/56/44/608255644.db2.gz YSTRHJPPGJGCNT-UHFFFAOYSA-N -1 1 387.450 2.489 20 0 GEADMM CC1(C)c2ccccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824816482 608307896 /nfs/dbraw/zinc/30/78/96/608307896.db2.gz FCGYMEWSQLEZEA-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM CC1(C)c2ccccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824816482 608307898 /nfs/dbraw/zinc/30/78/98/608307898.db2.gz FCGYMEWSQLEZEA-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824640584 608343248 /nfs/dbraw/zinc/34/32/48/608343248.db2.gz LNDDYTFNTMBDBK-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824640584 608343250 /nfs/dbraw/zinc/34/32/50/608343250.db2.gz LNDDYTFNTMBDBK-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCc2sccc2C)cc1-c1nn[n-]n1 ZINC000826229474 608359136 /nfs/dbraw/zinc/35/91/36/608359136.db2.gz GCWXWJXHVUOMLI-UHFFFAOYSA-N -1 1 376.467 2.032 20 0 GEADMM CCc1cnccc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825735658 608359541 /nfs/dbraw/zinc/35/95/41/608359541.db2.gz SEIOCWVAJIEGPK-VIFPVBQESA-N -1 1 385.453 2.138 20 0 GEADMM FC(F)Oc1ccc(-c2nnc(Sc3ccc(-c4nnn[n-]4)nn3)o2)cc1 ZINC000826369739 608392004 /nfs/dbraw/zinc/39/20/04/608392004.db2.gz OWKKEFLKXLWJDS-UHFFFAOYSA-N -1 1 390.335 2.459 20 0 GEADMM FC(F)Oc1ccc(-c2nnc(Sc3ccc(-c4nn[n-]n4)nn3)o2)cc1 ZINC000826369739 608392006 /nfs/dbraw/zinc/39/20/06/608392006.db2.gz OWKKEFLKXLWJDS-UHFFFAOYSA-N -1 1 390.335 2.459 20 0 GEADMM c1ccc(OCCOc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cn2)cc1 ZINC000826523036 608402733 /nfs/dbraw/zinc/40/27/33/608402733.db2.gz YEWDJBOVHLIBLM-UHFFFAOYSA-N -1 1 390.407 2.122 20 0 GEADMM c1ccc(OCCOc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cn2)cc1 ZINC000826523036 608402734 /nfs/dbraw/zinc/40/27/34/608402734.db2.gz YEWDJBOVHLIBLM-UHFFFAOYSA-N -1 1 390.407 2.122 20 0 GEADMM FC(F)(F)c1ccn(-c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)n1 ZINC000826368788 608405110 /nfs/dbraw/zinc/40/51/10/608405110.db2.gz BDMQXHQHZPRKOL-UHFFFAOYSA-N -1 1 387.329 2.473 20 0 GEADMM FC(F)(F)c1ccn(-c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)n1 ZINC000826368788 608405111 /nfs/dbraw/zinc/40/51/11/608405111.db2.gz BDMQXHQHZPRKOL-UHFFFAOYSA-N -1 1 387.329 2.473 20 0 GEADMM CC[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC000825038409 608407924 /nfs/dbraw/zinc/40/79/24/608407924.db2.gz BALUIIXSRWQVEJ-INIZCTEOSA-N -1 1 392.467 2.253 20 0 GEADMM CC[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC000825038409 608407925 /nfs/dbraw/zinc/40/79/25/608407925.db2.gz BALUIIXSRWQVEJ-INIZCTEOSA-N -1 1 392.467 2.253 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nnn[n-]3)nn1)O[C@H](C)C2 ZINC000825616033 608415587 /nfs/dbraw/zinc/41/55/87/608415587.db2.gz UMAFIJUHRDCQCU-IFUGULHKSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nn[n-]n3)nn1)O[C@H](C)C2 ZINC000825616033 608415588 /nfs/dbraw/zinc/41/55/88/608415588.db2.gz UMAFIJUHRDCQCU-IFUGULHKSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nnn[n-]3)nn1)O[C@@H](C)C2 ZINC000825616034 608415753 /nfs/dbraw/zinc/41/57/53/608415753.db2.gz UMAFIJUHRDCQCU-ITDIGPHOSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(-c3nn[n-]n3)nn1)O[C@@H](C)C2 ZINC000825616034 608415754 /nfs/dbraw/zinc/41/57/54/608415754.db2.gz UMAFIJUHRDCQCU-ITDIGPHOSA-N -1 1 379.424 2.347 20 0 GEADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826493217 608529065 /nfs/dbraw/zinc/52/90/65/608529065.db2.gz ZLUUNANCLBFUQZ-UHFFFAOYSA-N -1 1 377.813 2.351 20 0 GEADMM CCc1cccc(C)c1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825717471 608548813 /nfs/dbraw/zinc/54/88/13/608548813.db2.gz MLRXCUMIHCEZDT-UHFFFAOYSA-N -1 1 383.460 2.139 20 0 GEADMM CCc1cccc(C)c1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825717471 608548814 /nfs/dbraw/zinc/54/88/14/608548814.db2.gz MLRXCUMIHCEZDT-UHFFFAOYSA-N -1 1 383.460 2.139 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc(Cl)c1F ZINC000825930163 608549467 /nfs/dbraw/zinc/54/94/67/608549467.db2.gz QORSNYKKNMDNJA-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc(Cl)c1F ZINC000825930163 608549469 /nfs/dbraw/zinc/54/94/69/608549469.db2.gz QORSNYKKNMDNJA-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000825930755 608549490 /nfs/dbraw/zinc/54/94/90/608549490.db2.gz YAEZWNGTONLEGI-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1Cl ZINC000825930755 608549492 /nfs/dbraw/zinc/54/94/92/608549492.db2.gz YAEZWNGTONLEGI-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CC1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000824838875 608562993 /nfs/dbraw/zinc/56/29/93/608562993.db2.gz VUSQXWTXAKIERB-UHFFFAOYSA-N -1 1 389.868 2.356 20 0 GEADMM CC1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000824838875 608562994 /nfs/dbraw/zinc/56/29/94/608562994.db2.gz VUSQXWTXAKIERB-UHFFFAOYSA-N -1 1 389.868 2.356 20 0 GEADMM Fc1cccc(F)c1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826377028 608591338 /nfs/dbraw/zinc/59/13/38/608591338.db2.gz BAKVWEGCSFCOJF-UHFFFAOYSA-N -1 1 387.394 2.333 20 0 GEADMM O=C1NCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000826482664 608742424 /nfs/dbraw/zinc/74/24/24/608742424.db2.gz MSHBHXQSPSUFIZ-CQSZACIVSA-N -1 1 392.341 2.152 20 0 GEADMM O=C1NCCN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000826482664 608742426 /nfs/dbraw/zinc/74/24/26/608742426.db2.gz MSHBHXQSPSUFIZ-CQSZACIVSA-N -1 1 392.341 2.152 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826472538 608824252 /nfs/dbraw/zinc/82/42/52/608824252.db2.gz NSVPUYIFIBLNAB-CABZTGNLSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826472538 608824253 /nfs/dbraw/zinc/82/42/53/608824253.db2.gz NSVPUYIFIBLNAB-CABZTGNLSA-N -1 1 377.376 2.155 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cscc1Cl ZINC000825001371 608838982 /nfs/dbraw/zinc/83/89/82/608838982.db2.gz ZZNFAWCHCKWISO-SNVBAGLBSA-N -1 1 376.877 2.082 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cscc1Cl ZINC000825001371 608838987 /nfs/dbraw/zinc/83/89/87/608838987.db2.gz ZZNFAWCHCKWISO-SNVBAGLBSA-N -1 1 376.877 2.082 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCC2(C)Cc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000826229335 608860882 /nfs/dbraw/zinc/86/08/82/608860882.db2.gz ALSPRDIOPJFCCG-UHFFFAOYSA-N -1 1 396.476 2.224 20 0 GEADMM O=C(NN1CCCC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826444211 609167117 /nfs/dbraw/zinc/16/71/17/609167117.db2.gz WJVNDHVKDNWMCJ-UHFFFAOYSA-N -1 1 382.355 2.065 20 0 GEADMM O=C(NN1CCCC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826444211 609167118 /nfs/dbraw/zinc/16/71/18/609167118.db2.gz WJVNDHVKDNWMCJ-UHFFFAOYSA-N -1 1 382.355 2.065 20 0 GEADMM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCc1ccccc1 ZINC000824130454 609251080 /nfs/dbraw/zinc/25/10/80/609251080.db2.gz KIHIGAFEIOAKLZ-MRXNPFEDSA-N -1 1 394.435 2.150 20 0 GEADMM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCc1ccccc1 ZINC000824130454 609251081 /nfs/dbraw/zinc/25/10/81/609251081.db2.gz KIHIGAFEIOAKLZ-MRXNPFEDSA-N -1 1 394.435 2.150 20 0 GEADMM O=C(CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000826407282 609272546 /nfs/dbraw/zinc/27/25/46/609272546.db2.gz HPVSBKHDKDPBEZ-UHFFFAOYSA-N -1 1 393.451 2.127 20 0 GEADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1CCCCCC1 ZINC000826414361 609279756 /nfs/dbraw/zinc/27/97/56/609279756.db2.gz RYQPYICPSBRBIE-UHFFFAOYSA-N -1 1 398.446 2.442 20 0 GEADMM CC[C@H]1CCCCN1C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825195599 609279853 /nfs/dbraw/zinc/27/98/53/609279853.db2.gz XHDNBAKEHXRGDP-ZDUSSCGKSA-N -1 1 398.446 2.395 20 0 GEADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)Nc1ccccc1 ZINC000826414145 609280050 /nfs/dbraw/zinc/28/00/50/609280050.db2.gz HRWVGUPTQOBWGA-UHFFFAOYSA-N -1 1 378.371 2.242 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnc2ccccn21 ZINC000826459127 609290243 /nfs/dbraw/zinc/29/02/43/609290243.db2.gz VXEOFRVPFYTDFR-UHFFFAOYSA-N -1 1 389.354 2.092 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(C(F)(F)F)CCC1 ZINC000826233014 609295464 /nfs/dbraw/zinc/29/54/64/609295464.db2.gz QPQSKKVJTDVABM-UHFFFAOYSA-N -1 1 384.362 2.118 20 0 GEADMM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825268167 609302235 /nfs/dbraw/zinc/30/22/35/609302235.db2.gz RFWAZPDOIKTTGY-CHWSQXEVSA-N -1 1 389.508 2.105 20 0 GEADMM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825268167 609302237 /nfs/dbraw/zinc/30/22/37/609302237.db2.gz RFWAZPDOIKTTGY-CHWSQXEVSA-N -1 1 389.508 2.105 20 0 GEADMM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825252462 609302372 /nfs/dbraw/zinc/30/23/72/609302372.db2.gz IGVDMINFMCRARC-CHWSQXEVSA-N -1 1 389.508 2.105 20 0 GEADMM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825252462 609302373 /nfs/dbraw/zinc/30/23/73/609302373.db2.gz IGVDMINFMCRARC-CHWSQXEVSA-N -1 1 389.508 2.105 20 0 GEADMM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccc1O ZINC000826260493 609312780 /nfs/dbraw/zinc/31/27/80/609312780.db2.gz QSPMBCUKXJQDIL-UHFFFAOYSA-N -1 1 379.355 2.458 20 0 GEADMM O=C(Cc1ccccc1O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826423900 609313357 /nfs/dbraw/zinc/31/33/57/609313357.db2.gz MCZZXQDWBCLIOA-UHFFFAOYSA-N -1 1 379.355 2.078 20 0 GEADMM Cc1cnc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000826318198 609313608 /nfs/dbraw/zinc/31/36/08/609313608.db2.gz YXEAKUVMGCTKFX-UHFFFAOYSA-N -1 1 384.400 2.138 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1n[nH]c2ccccc21 ZINC000826459143 609314178 /nfs/dbraw/zinc/31/41/78/609314178.db2.gz WZASKRMSIKYNKQ-UHFFFAOYSA-N -1 1 389.354 2.320 20 0 GEADMM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000826477323 609318070 /nfs/dbraw/zinc/31/80/70/609318070.db2.gz ABQVNGHTVBHCFT-LBPRGKRZSA-N -1 1 391.222 2.181 20 0 GEADMM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000826477323 609318071 /nfs/dbraw/zinc/31/80/71/609318071.db2.gz ABQVNGHTVBHCFT-LBPRGKRZSA-N -1 1 391.222 2.181 20 0 GEADMM COCc1cnc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000826165401 609319560 /nfs/dbraw/zinc/31/95/60/609319560.db2.gz SRAUYBHHSZKTEF-UHFFFAOYSA-N -1 1 386.416 2.407 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1c(Cl)ccnc1Cl ZINC000826493622 609328455 /nfs/dbraw/zinc/32/84/55/609328455.db2.gz UNOYERCFQQMNJS-UHFFFAOYSA-N -1 1 390.183 2.475 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1c(Cl)ccnc1Cl ZINC000826493622 609328457 /nfs/dbraw/zinc/32/84/57/609328457.db2.gz UNOYERCFQQMNJS-UHFFFAOYSA-N -1 1 390.183 2.475 20 0 GEADMM CCC(CC)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000825106492 609331988 /nfs/dbraw/zinc/33/19/88/609331988.db2.gz DWMSHLJCYHOTSJ-DZGCQCFKSA-N -1 1 397.476 2.268 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2[nH]cnc2c1 ZINC000826458085 609351479 /nfs/dbraw/zinc/35/14/79/609351479.db2.gz BWBVYDHGGYRJJT-UHFFFAOYSA-N -1 1 389.354 2.320 20 0 GEADMM CN(Cc1ccco1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825986081 609359006 /nfs/dbraw/zinc/35/90/06/609359006.db2.gz NIFPHMLQTBIEFT-UHFFFAOYSA-N -1 1 382.359 2.448 20 0 GEADMM CN(Cc1nccs1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825999056 609359195 /nfs/dbraw/zinc/35/91/95/609359195.db2.gz JGLSQHAYNBZTDG-UHFFFAOYSA-N -1 1 399.415 2.312 20 0 GEADMM Cc1ncc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000826329760 609363856 /nfs/dbraw/zinc/36/38/56/609363856.db2.gz QVIIEAKLARXAQX-UHFFFAOYSA-N -1 1 399.415 2.278 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000826357230 609382309 /nfs/dbraw/zinc/38/23/09/609382309.db2.gz WZICLAPITSPKDP-AWEZNQCLSA-N -1 1 382.403 2.497 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000826357230 609382312 /nfs/dbraw/zinc/38/23/12/609382312.db2.gz WZICLAPITSPKDP-AWEZNQCLSA-N -1 1 382.403 2.497 20 0 GEADMM CC[C@H]1C[C@@H](CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825182334 609398907 /nfs/dbraw/zinc/39/89/07/609398907.db2.gz HYZSSHREWIKXAH-STQMWFEESA-N -1 1 391.428 2.154 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)nn1-c1ccccc1Cl ZINC000826348376 609472584 /nfs/dbraw/zinc/47/25/84/609472584.db2.gz JNFBILTZXDLFDD-UHFFFAOYSA-N -1 1 398.814 2.492 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)nn1-c1ccccc1Cl ZINC000826348376 609472586 /nfs/dbraw/zinc/47/25/86/609472586.db2.gz JNFBILTZXDLFDD-UHFFFAOYSA-N -1 1 398.814 2.492 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC=C(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826229849 609501034 /nfs/dbraw/zinc/50/10/34/609501034.db2.gz UFZXSOOSBJKUHJ-UHFFFAOYSA-N -1 1 380.433 2.229 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826494597 609587931 /nfs/dbraw/zinc/58/79/31/609587931.db2.gz JDGWDLHYAWKELS-WHLNPGIBSA-N -1 1 382.449 2.128 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826494597 609587933 /nfs/dbraw/zinc/58/79/33/609587933.db2.gz JDGWDLHYAWKELS-WHLNPGIBSA-N -1 1 382.449 2.128 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826494598 609588389 /nfs/dbraw/zinc/58/83/89/609588389.db2.gz JDGWDLHYAWKELS-XVJNWHFHSA-N -1 1 382.449 2.128 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826494598 609588391 /nfs/dbraw/zinc/58/83/91/609588391.db2.gz JDGWDLHYAWKELS-XVJNWHFHSA-N -1 1 382.449 2.128 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cc1F ZINC000446643906 649985534 /nfs/dbraw/zinc/98/55/34/649985534.db2.gz JFRPWSPUUNNSEV-UHFFFAOYSA-N -1 1 385.335 2.002 20 0 GEADMM O=C(CS(=O)(=O)c1nnc(Cc2cccs2)[n-]1)NC1CCCCCC1 ZINC000447495059 650006967 /nfs/dbraw/zinc/00/69/67/650006967.db2.gz FPPURCQOPXRBEN-UHFFFAOYSA-N -1 1 382.511 2.070 20 0 GEADMM O=C(CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1)NC1CCCCCC1 ZINC000447495059 650006972 /nfs/dbraw/zinc/00/69/72/650006972.db2.gz FPPURCQOPXRBEN-UHFFFAOYSA-N -1 1 382.511 2.070 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C)CC2)c(F)c1 ZINC000450969424 650077023 /nfs/dbraw/zinc/07/70/23/650077023.db2.gz LRTXZVXOCCZRJP-UHFFFAOYSA-N -1 1 378.491 2.398 20 0 GEADMM COc1ccc(C[C@@H](CO)C[N-]S(=O)(=O)c2sccc2Cl)cc1O ZINC000451242126 650097617 /nfs/dbraw/zinc/09/76/17/650097617.db2.gz MOBSJGNKTPRYPJ-LLVKDONJSA-N -1 1 391.898 2.245 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c(F)c1 ZINC000451252889 650098643 /nfs/dbraw/zinc/09/86/43/650098643.db2.gz ZUZPPTQGWUDJRS-BETUJISGSA-N -1 1 390.502 2.254 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC(F)(F)F)c(F)c1 ZINC000451279345 650100639 /nfs/dbraw/zinc/10/06/39/650100639.db2.gz DOGPWFXPJAQHFY-UHFFFAOYSA-N -1 1 392.396 2.208 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC2CCC2)c(F)c1 ZINC000451185066 650094390 /nfs/dbraw/zinc/09/43/90/650094390.db2.gz AYXMAKUKLILLHN-UHFFFAOYSA-N -1 1 378.491 2.398 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)Cc2ccc[nH]2)c(F)c1 ZINC000451281086 650100973 /nfs/dbraw/zinc/10/09/73/650100973.db2.gz XMTMORHORGHLQQ-UHFFFAOYSA-N -1 1 389.474 2.126 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CC2(C)C)c(F)c1 ZINC000451473569 650118743 /nfs/dbraw/zinc/11/87/43/650118743.db2.gz OPHXPOIBYCCTEH-CQSZACIVSA-N -1 1 378.491 2.396 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](F)C2)c(F)c1 ZINC000451558640 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CS(=O)(=O)c1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC000064348015 642873707 /nfs/dbraw/zinc/87/37/07/642873707.db2.gz FOINIUFIXLFGGH-UHFFFAOYSA-N -1 1 383.842 2.237 20 0 GEADMM CN(c1ccc(Cl)cn1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000066582010 642924764 /nfs/dbraw/zinc/92/47/64/642924764.db2.gz LMHBBFSKMPGXEV-UHFFFAOYSA-N -1 1 393.849 2.071 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)c1 ZINC000066588321 642925388 /nfs/dbraw/zinc/92/53/88/642925388.db2.gz SZMMBMGIRHMJAW-UHFFFAOYSA-N -1 1 386.520 2.259 20 0 GEADMM CCn1c(CNC(=O)c2nnn(-c3ccccc3Cl)c2C)n[n-]c1=S ZINC000066636572 642930267 /nfs/dbraw/zinc/93/02/67/642930267.db2.gz BSBSQYPRTPEQBV-UHFFFAOYSA-N -1 1 377.861 2.433 20 0 GEADMM CC(C)n1c(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n[n-]c1=S ZINC000067071464 642961925 /nfs/dbraw/zinc/96/19/25/642961925.db2.gz YMIPHGSHMJQGAN-LBPRGKRZSA-N -1 1 383.543 2.229 20 0 GEADMM Cn1cc(-c2ncc(C(=O)NCCc3n[n-]c(=S)n3C3CC3)s2)cn1 ZINC000069706040 643039568 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C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000115312885 643434065 /nfs/dbraw/zinc/43/40/65/643434065.db2.gz HQZXRROCFKXBGH-DEOSSOPVSA-N -1 1 377.443 2.472 20 0 GEADMM CC(C)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000117370958 643490036 /nfs/dbraw/zinc/49/00/36/643490036.db2.gz VCUMVVQMRHDFIC-AWEZNQCLSA-N -1 1 378.491 2.396 20 0 GEADMM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)co1 ZINC000119145628 643538976 /nfs/dbraw/zinc/53/89/76/643538976.db2.gz FHLZWUBNOWTGFX-UHFFFAOYSA-N -1 1 384.464 2.362 20 0 GEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)c(C)c2)cc1 ZINC000498499651 650858939 /nfs/dbraw/zinc/85/89/39/650858939.db2.gz NYSRXSIWVKXPNQ-UHFFFAOYSA-N -1 1 382.463 2.158 20 0 GEADMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000127154857 643759757 /nfs/dbraw/zinc/75/97/57/643759757.db2.gz HPXCVRLTZFGTPS-UHFFFAOYSA-N -1 1 375.237 2.401 20 0 GEADMM Cc1cc(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)ccc1Br ZINC000127173220 643761153 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2.241 20 0 GEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)[n-]c1=O ZINC000908017732 654597027 /nfs/dbraw/zinc/59/70/27/654597027.db2.gz XHPOLUCQGHIOFS-TVQRCGJNSA-N -1 1 396.296 2.241 20 0 GEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c(=O)[n-]1 ZINC000927586037 654605420 /nfs/dbraw/zinc/60/54/20/654605420.db2.gz MSNIHCAAISOADH-KOLCDFICSA-N -1 1 379.404 2.371 20 0 GEADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000908396151 654625239 /nfs/dbraw/zinc/62/52/39/654625239.db2.gz LHHOCOZWKXJPOH-LBPRGKRZSA-N -1 1 398.293 2.162 20 0 GEADMM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000908396185 654625393 /nfs/dbraw/zinc/62/53/93/654625393.db2.gz LQMJQVQPVLEFLY-YCABEKBOSA-N -1 1 383.857 2.059 20 0 GEADMM O=C(CCc1nn[n-]n1)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000928186716 654635952 /nfs/dbraw/zinc/63/59/52/654635952.db2.gz QGKMLYCKZGRMFW-UHFFFAOYSA-N -1 1 392.257 2.239 20 0 GEADMM CCC1(CC)NC(=O)N(CC(=O)Nc2cccc([O-])c2Br)C1=O ZINC000908715194 654638626 /nfs/dbraw/zinc/63/86/26/654638626.db2.gz QHYZKLZGMMCOMX-UHFFFAOYSA-N -1 1 384.230 2.204 20 0 GEADMM CN(C(=O)N[C@H]1CCCN(C)C1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC000908868740 654642344 /nfs/dbraw/zinc/64/23/44/654642344.db2.gz ACPTYMTZRSONOM-CABZTGNLSA-N -1 1 390.303 2.372 20 0 GEADMM C[C@](NC(=O)[C@@H]1CCc2[nH]cnc2C1)(C(=O)[O-])c1cccc(Br)c1 ZINC000909323607 654659828 /nfs/dbraw/zinc/65/98/28/654659828.db2.gz RNXVMTUEXORSRG-BMLIUANNSA-N -1 1 392.253 2.393 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000909555194 654667715 /nfs/dbraw/zinc/66/77/15/654667715.db2.gz JRBYMYQJBNGGGL-GFCCVEGCSA-N -1 1 389.279 2.423 20 0 GEADMM COc1cc(Br)ccc1[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909726717 654673582 /nfs/dbraw/zinc/67/35/82/654673582.db2.gz WWCBBSFTMHBEBQ-NEPJUHHUSA-N -1 1 399.285 2.432 20 0 GEADMM O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)Nc1cc(F)cc(F)c1[O-] ZINC000910991816 654714981 /nfs/dbraw/zinc/71/49/81/654714981.db2.gz UARNAALTWZHHQA-MRVPVSSYSA-N -1 1 388.417 2.210 20 0 GEADMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(Br)cc1Cl ZINC000912528022 654758449 /nfs/dbraw/zinc/75/84/49/654758449.db2.gz LYNJIRRTJVWIGC-UHFFFAOYSA-N -1 1 395.618 2.380 20 0 GEADMM COc1ccc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)cc1Br ZINC000912859718 654771424 /nfs/dbraw/zinc/77/14/24/654771424.db2.gz DWVMYVRIOUUNQN-JTQLQIEISA-N -1 1 386.275 2.195 20 0 GEADMM CSCC[C@H](NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)c1nn[n-]n1 ZINC000912861434 654771863 /nfs/dbraw/zinc/77/18/63/654771863.db2.gz LAOWDSSWCQGZRN-AAEUAGOBSA-N -1 1 386.884 2.206 20 0 GEADMM CSCC[C@H](NC(=O)Cc1cscc1Br)c1nn[n-]n1 ZINC000912863357 654772280 /nfs/dbraw/zinc/77/22/80/654772280.db2.gz VLHSSTQBROQEDZ-VIFPVBQESA-N -1 1 376.305 2.177 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC2CC1(c1ncc[nH]1)C2 ZINC000912958181 654776763 /nfs/dbraw/zinc/77/67/63/654776763.db2.gz HOHGHBJQVXRVQA-UHFFFAOYSA-N -1 1 395.200 2.481 20 0 GEADMM CCOC(=O)C1(C(F)(F)F)CCN(CCC[N-]C(=O)C(F)(F)F)CC1 ZINC000932656075 654784449 /nfs/dbraw/zinc/78/44/49/654784449.db2.gz OUCFOCGOKPAOBY-UHFFFAOYSA-N -1 1 378.313 2.263 20 0 GEADMM O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493620 654795594 /nfs/dbraw/zinc/79/55/94/654795594.db2.gz DCTQSOIKCWVLAI-NSHDSACASA-N -1 1 382.207 2.395 20 0 GEADMM O=C(c1cccc2c(Br)cccc12)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493804 654795644 /nfs/dbraw/zinc/79/56/44/654795644.db2.gz JIINWUOIWQOHOP-CQSZACIVSA-N -1 1 388.225 2.329 20 0 GEADMM O=C(c1cc(Br)c2ccccc2c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496693 654796017 /nfs/dbraw/zinc/79/60/17/654796017.db2.gz AKSOKSLDQYCOKQ-AWEZNQCLSA-N -1 1 388.225 2.329 20 0 GEADMM Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)c(Br)c1 ZINC000913743516 654807270 /nfs/dbraw/zinc/80/72/70/654807270.db2.gz YWFVBIBFBQVHBH-NSHDSACASA-N -1 1 394.273 2.444 20 0 GEADMM O=C(CCOc1ccccc1Br)N1CCC(c2nn[n-]n2)CC1 ZINC000913743492 654807294 /nfs/dbraw/zinc/80/72/94/654807294.db2.gz XYOYUAOVMYVSHL-UHFFFAOYSA-N -1 1 380.246 2.137 20 0 GEADMM O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC(c2nn[n-]n2)CC1 ZINC000913747318 654807820 /nfs/dbraw/zinc/80/78/20/654807820.db2.gz XLKWAINPQZCRGC-QLFBSQMISA-N -1 1 388.269 2.254 20 0 GEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(F)cc2Br)n1 ZINC000914030083 654822414 /nfs/dbraw/zinc/82/24/14/654822414.db2.gz MLLOCMTWMQQPID-SSDOTTSWSA-N -1 1 378.223 2.460 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@](C)(O)C(C)C)c1F ZINC000914159898 654830679 /nfs/dbraw/zinc/83/06/79/654830679.db2.gz QVONSJCOPQNLPN-CYBMUJFWSA-N -1 1 384.267 2.282 20 0 GEADMM CC[C@H](O)CCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914181759 654832967 /nfs/dbraw/zinc/83/29/67/654832967.db2.gz XBOHQCDGRAAIKN-VIFPVBQESA-N -1 1 384.267 2.426 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ncc(C)o2)c1F ZINC000914213121 654835634 /nfs/dbraw/zinc/83/56/34/654835634.db2.gz UYOFUAWMBUYQMN-UHFFFAOYSA-N -1 1 379.207 2.372 20 0 GEADMM CC[C@H](CCO)C[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914236635 654837482 /nfs/dbraw/zinc/83/74/82/654837482.db2.gz AIRCALJNDGCEDK-QVQLBTGDSA-N -1 1 388.433 2.276 20 0 GEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914236634 654837529 /nfs/dbraw/zinc/83/75/29/654837529.db2.gz AIRCALJNDGCEDK-BSNNYGBQSA-N -1 1 388.433 2.276 20 0 GEADMM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914244120 654838462 /nfs/dbraw/zinc/83/84/62/654838462.db2.gz AYGBOSFHPPLSGV-GXSJLCMTSA-N -1 1 380.388 2.052 20 0 GEADMM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914254536 654839110 /nfs/dbraw/zinc/83/91/10/654839110.db2.gz MOCAXKQHELKOMQ-QMMMGPOBSA-N -1 1 398.250 2.074 20 0 GEADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H](C)CC(C)C ZINC000914279258 654841728 /nfs/dbraw/zinc/84/17/28/654841728.db2.gz JILUDTWFMYIDHN-VIFPVBQESA-N -1 1 391.291 2.213 20 0 GEADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCC=C(C)C ZINC000914427617 654853594 /nfs/dbraw/zinc/85/35/94/654853594.db2.gz RQWJRNOLZYSEEK-UHFFFAOYSA-N -1 1 389.275 2.135 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(C)nn2C)c1F ZINC000915342603 654868887 /nfs/dbraw/zinc/86/88/87/654868887.db2.gz ZAYNYXHOOVROSX-UHFFFAOYSA-N -1 1 392.250 2.117 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC2(O)CCC2)c1F ZINC000915366452 654869531 /nfs/dbraw/zinc/86/95/31/654869531.db2.gz OUILAERDDKLDDR-UHFFFAOYSA-N -1 1 382.251 2.180 20 0 GEADMM COc1ccc(NC(=O)NC[C@H]2CC2(Cl)Cl)cc1[N-]S(C)(=O)=O ZINC000915910985 654882392 /nfs/dbraw/zinc/88/23/92/654882392.db2.gz RDPZRUXFFHWOFC-MRVPVSSYSA-N -1 1 382.269 2.382 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c1F ZINC000916026831 654885309 /nfs/dbraw/zinc/88/53/09/654885309.db2.gz BKSMFELMNHNRJE-JTQLQIEISA-N -1 1 382.251 2.443 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000935594368 654903068 /nfs/dbraw/zinc/90/30/68/654903068.db2.gz FTNMHNVJSQYHKT-ZETCQYMHSA-N -1 1 396.163 2.289 20 0 GEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2nccnc2SCC)s1 ZINC000485385203 531432167 /nfs/dbraw/zinc/43/21/67/531432167.db2.gz XPDYXCOMJOVAJW-UHFFFAOYSA-N -1 1 385.496 2.348 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)co1 ZINC000152550392 531557866 /nfs/dbraw/zinc/55/78/66/531557866.db2.gz KNMMBXUMRQSUSP-ZUZCIYMTSA-N -1 1 386.857 2.347 20 0 GEADMM O=C([N-]OCc1cccnc1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000152597724 531561024 /nfs/dbraw/zinc/56/10/24/531561024.db2.gz AQBPQRHZSRAAPE-ZDUSSCGKSA-N -1 1 390.237 2.445 20 0 GEADMM CCn1cc(S(=O)(=O)[N-]c2ccccc2I)cn1 ZINC000014254672 531564022 /nfs/dbraw/zinc/56/40/22/531564022.db2.gz BNJNMYTZYOWVOX-UHFFFAOYSA-N -1 1 377.207 2.308 20 0 GEADMM COC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015789738 531567078 /nfs/dbraw/zinc/56/70/78/531567078.db2.gz WVNVFGXJRPYCOH-UHFFFAOYSA-N -1 1 382.825 2.044 20 0 GEADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000024430909 531602887 /nfs/dbraw/zinc/60/28/87/531602887.db2.gz AMHMKJZYIAAVAU-UHFFFAOYSA-N -1 1 385.239 2.114 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000024430046 531603491 /nfs/dbraw/zinc/60/34/91/531603491.db2.gz METAQABLBIRERZ-UHFFFAOYSA-N -1 1 396.368 2.033 20 0 GEADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000024431263 531602244 /nfs/dbraw/zinc/60/22/44/531602244.db2.gz IKFIDHVBMMWHBH-UHFFFAOYSA-N -1 1 385.239 2.114 20 0 GEADMM COc1ccsc1S(=O)(=O)[N-]c1cccc(CN2CCN(C)CC2)c1 ZINC000153933451 531613232 /nfs/dbraw/zinc/61/32/32/531613232.db2.gz ZYYPRMFSOHZXFD-UHFFFAOYSA-N -1 1 381.523 2.305 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1noc(-c2ccccc2)n1 ZINC000156055695 531713658 /nfs/dbraw/zinc/71/36/58/531713658.db2.gz GWPOPTXIQPSTKL-SECBINFHSA-N -1 1 379.829 2.407 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000055563680 531793633 /nfs/dbraw/zinc/79/36/33/531793633.db2.gz AREYSCUVQYEXQB-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1 ZINC000055596512 531795585 /nfs/dbraw/zinc/79/55/85/531795585.db2.gz GVESUAHLOHLKFO-UHFFFAOYSA-N -1 1 384.479 2.232 20 0 GEADMM COc1ccc(NC(=O)CSCc2ccncc2)cc1[N-]S(C)(=O)=O ZINC000058073639 531826668 /nfs/dbraw/zinc/82/66/68/531826668.db2.gz FHHLEICUBXBKLV-UHFFFAOYSA-N -1 1 381.479 2.334 20 0 GEADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[N-]O[C@@H]3CCCCO3)C2)s1 ZINC000060332343 531840953 /nfs/dbraw/zinc/84/09/53/531840953.db2.gz HOHCTZYWFWHGHE-ZIAGYGMSSA-N -1 1 388.511 2.032 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1S(N)(=O)=O ZINC000067124714 531876711 /nfs/dbraw/zinc/87/67/11/531876711.db2.gz LIBKMXXTALGEIJ-UHFFFAOYSA-N -1 1 380.491 2.186 20 0 GEADMM CCc1c(C(=O)NCc2n[n-]c(=S)n2C)nnn1-c1cccc(Cl)c1 ZINC000067300521 531881143 /nfs/dbraw/zinc/88/11/43/531881143.db2.gz WLYKHCKQFPRONT-UHFFFAOYSA-N -1 1 377.861 2.204 20 0 GEADMM O=C(NCCN1C(=O)Cc2ccccc21)c1ccc(Br)cc1[O-] ZINC000171310862 531904000 /nfs/dbraw/zinc/90/40/00/531904000.db2.gz FWYJVJXRWBXJCL-UHFFFAOYSA-N -1 1 375.222 2.474 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C2CCC(C(=O)OC(C)(C)C)CC2)c1Cl ZINC000093944534 531929826 /nfs/dbraw/zinc/92/98/26/531929826.db2.gz UPAMKMDYCFBRBQ-UHFFFAOYSA-N -1 1 377.894 2.252 20 0 GEADMM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000097543556 531938154 /nfs/dbraw/zinc/93/81/54/531938154.db2.gz UEOYIALYXDBDIF-UHFFFAOYSA-N -1 1 385.239 2.181 20 0 GEADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000172275278 531943979 /nfs/dbraw/zinc/94/39/79/531943979.db2.gz DKPDMCIIVXNUEK-UHFFFAOYSA-N -1 1 379.869 2.493 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(N2CCCNC2=O)CC1 ZINC000120873440 532000505 /nfs/dbraw/zinc/00/05/05/532000505.db2.gz DRQYUFUHQVYURF-UHFFFAOYSA-N -1 1 382.258 2.175 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)cc1F ZINC000121351738 532024985 /nfs/dbraw/zinc/02/49/85/532024985.db2.gz GRJQLCPWYZPMEO-UHFFFAOYSA-N -1 1 384.454 2.475 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(Br)c2)o1 ZINC000174106564 532050295 /nfs/dbraw/zinc/05/02/95/532050295.db2.gz MXDPLNJZNYWCAT-UHFFFAOYSA-N -1 1 377.191 2.342 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCOc2ccc(Cl)cc2C)co1 ZINC000122673457 532078302 /nfs/dbraw/zinc/07/83/02/532078302.db2.gz HKLGUCLFCPBTHX-UHFFFAOYSA-N -1 1 386.857 2.348 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCOc1cccc(Br)c1 ZINC000175039439 532087490 /nfs/dbraw/zinc/08/74/90/532087490.db2.gz SIJBJHXVXZIAOU-UHFFFAOYSA-N -1 1 398.282 2.372 20 0 GEADMM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1 ZINC000123939619 532111121 /nfs/dbraw/zinc/11/11/21/532111121.db2.gz DCAVPUAXDNFFTP-UHFFFAOYSA-N -1 1 399.266 2.422 20 0 GEADMM COc1ccc(CCC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1Br ZINC000124383488 532120265 /nfs/dbraw/zinc/12/02/65/532120265.db2.gz IYUOGFDAACPWNX-JTQLQIEISA-N -1 1 382.262 2.166 20 0 GEADMM Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000124618445 532126597 /nfs/dbraw/zinc/12/65/97/532126597.db2.gz MWFBNTVRIFXDGW-HNNXBMFYSA-N -1 1 394.269 2.474 20 0 GEADMM COc1cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)ccc1Br ZINC000176685539 532145489 /nfs/dbraw/zinc/14/54/89/532145489.db2.gz ABPJMIPRBFVNRK-UHFFFAOYSA-N -1 1 399.266 2.286 20 0 GEADMM O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129257983 532175703 /nfs/dbraw/zinc/17/57/03/532175703.db2.gz UKDRKXARDRBUNX-SECBINFHSA-N -1 1 375.230 2.463 20 0 GEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)c(=O)[n-]1 ZINC000132556500 532217388 /nfs/dbraw/zinc/21/73/88/532217388.db2.gz AYBDJZIVXJBHFA-GXFFZTMASA-N -1 1 381.523 2.423 20 0 GEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)C[C@@H](O)c2cccs2)c(=O)[n-]1 ZINC000132556639 532218190 /nfs/dbraw/zinc/21/81/90/532218190.db2.gz AYBDJZIVXJBHFA-ZWNOBZJWSA-N -1 1 381.523 2.423 20 0 GEADMM Cc1cc(=O)n(C)cc1NC(=O)c1cc(I)ccc1[O-] ZINC000179532983 532234951 /nfs/dbraw/zinc/23/49/51/532234951.db2.gz CSTXMRZVGVORBD-UHFFFAOYSA-N -1 1 384.173 2.256 20 0 GEADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(I)ccc1[O-] ZINC000179099479 532222143 /nfs/dbraw/zinc/22/21/43/532222143.db2.gz GNNWLBGUUBVOGR-SKDRFNHKSA-N -1 1 375.206 2.230 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)co1 ZINC000179188809 532224499 /nfs/dbraw/zinc/22/44/99/532224499.db2.gz JVBHVHCJUFCZTG-VIFPVBQESA-N -1 1 387.255 2.441 20 0 GEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000179766471 532242802 /nfs/dbraw/zinc/24/28/02/532242802.db2.gz WGVOHUILPUMPJF-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM CCCc1nnc([N-]C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)s1 ZINC000134219313 532252229 /nfs/dbraw/zinc/25/22/29/532252229.db2.gz OJFOARVOLJYXKZ-UHFFFAOYSA-N -1 1 378.838 2.183 20 0 GEADMM Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(F)c1I ZINC000134665128 532260656 /nfs/dbraw/zinc/26/06/56/532260656.db2.gz KCTGEVWMJMCZEE-UHFFFAOYSA-N -1 1 381.170 2.263 20 0 GEADMM CCC[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1nn[n-]n1 ZINC000136630255 532285782 /nfs/dbraw/zinc/28/57/82/532285782.db2.gz STWMDSLZUGJQLN-ZDUSSCGKSA-N -1 1 390.245 2.419 20 0 GEADMM CCC[C@H](NC(=O)c1cc(C)ccc1I)c1nn[n-]n1 ZINC000136717666 532286845 /nfs/dbraw/zinc/28/68/45/532286845.db2.gz AQVVYUPRZMOYGU-NSHDSACASA-N -1 1 385.209 2.384 20 0 GEADMM COCc1nc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)cs1 ZINC000139746936 532293674 /nfs/dbraw/zinc/29/36/74/532293674.db2.gz DYVXRZSZCSFKIZ-UHFFFAOYSA-N -1 1 382.496 2.380 20 0 GEADMM C[C@@H](NC(=O)CCn1c(-c2cccs2)n[n-]c1=S)C(=O)NC(C)(C)C ZINC000143693621 532296615 /nfs/dbraw/zinc/29/66/15/532296615.db2.gz OCJYJWAEJMXYSJ-SNVBAGLBSA-N -1 1 381.527 2.479 20 0 GEADMM COCCCNC(=O)C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000137670694 532290047 /nfs/dbraw/zinc/29/00/47/532290047.db2.gz GESXYLZGYGOHTJ-UHFFFAOYSA-N -1 1 399.285 2.160 20 0 GEADMM Cc1c(Br)c2ccccc2n1CC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183412276 532324690 /nfs/dbraw/zinc/32/46/90/532324690.db2.gz XXVYAQFGAWDKKE-SNVBAGLBSA-N -1 1 391.273 2.487 20 0 GEADMM CCC[C@@H](N[C@@H](C)C(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000185041899 532336740 /nfs/dbraw/zinc/33/67/40/532336740.db2.gz UWPMZOOPBPDLMF-JOYOIKCWSA-N -1 1 390.221 2.461 20 0 GEADMM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000186194380 532340107 /nfs/dbraw/zinc/34/01/07/532340107.db2.gz NIKPXHLRJLGBCG-JTQLQIEISA-N -1 1 395.859 2.339 20 0 GEADMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000186707443 532341794 /nfs/dbraw/zinc/34/17/94/532341794.db2.gz IQGOVDVGHHXPIA-UHFFFAOYSA-N -1 1 387.658 2.174 20 0 GEADMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1ccco1 ZINC000186831716 532342255 /nfs/dbraw/zinc/34/22/55/532342255.db2.gz VSXDBPHTZKEJGM-CYBMUJFWSA-N -1 1 377.413 2.433 20 0 GEADMM CS(=O)(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000184676629 532334327 /nfs/dbraw/zinc/33/43/27/532334327.db2.gz RZWXHIUOCLVQAN-UHFFFAOYSA-N -1 1 386.882 2.463 20 0 GEADMM O=C(NC[C@@H](O)COc1ccccc1Br)c1c([O-])cccc1F ZINC000184836927 532334765 /nfs/dbraw/zinc/33/47/65/532334765.db2.gz QPUVQUMYRWQWMW-SNVBAGLBSA-N -1 1 384.201 2.464 20 0 GEADMM COC(=O)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000184879264 532335516 /nfs/dbraw/zinc/33/55/16/532335516.db2.gz XTBBTTGZKLWYDZ-UHFFFAOYSA-N -1 1 377.043 2.207 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)N1CCC[C@H](C)C1 ZINC000184915489 532335890 /nfs/dbraw/zinc/33/58/90/532335890.db2.gz SUJYDYLUWTZGMP-QWRGUYRKSA-N -1 1 376.425 2.062 20 0 GEADMM CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000184969006 532336454 /nfs/dbraw/zinc/33/64/54/532336454.db2.gz JTFQGICCFBFHQZ-UHFFFAOYSA-N -1 1 386.470 2.338 20 0 GEADMM O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(Br)c([O-])c1 ZINC000185033508 532336587 /nfs/dbraw/zinc/33/65/87/532336587.db2.gz SFOFDCWVPNMHMZ-AWEZNQCLSA-N -1 1 390.237 2.475 20 0 GEADMM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC000188337212 532347775 /nfs/dbraw/zinc/34/77/75/532347775.db2.gz ACQSQRGOXAHXGX-UHFFFAOYSA-N -1 1 381.230 2.491 20 0 GEADMM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(I)ccc1[O-] ZINC000189361161 532351917 /nfs/dbraw/zinc/35/19/17/532351917.db2.gz NRTQLWAYQUHZCC-VIFPVBQESA-N -1 1 391.205 2.409 20 0 GEADMM Cc1c(Br)cccc1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000189941901 532354068 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COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000557787508 532373015 /nfs/dbraw/zinc/37/30/15/532373015.db2.gz HECZLFRAHZTOKE-ZDUSSCGKSA-N -1 1 378.288 2.456 20 0 GEADMM NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000621970810 532375342 /nfs/dbraw/zinc/37/53/42/532375342.db2.gz QZDOHZMMXFUADT-PHDIDXHHSA-N -1 1 392.047 2.367 20 0 GEADMM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000590587915 532377079 /nfs/dbraw/zinc/37/70/79/532377079.db2.gz CFJRLBQHIHNJIR-HNNXBMFYSA-N -1 1 386.832 2.078 20 0 GEADMM Cc1c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)coc1C(=O)N(C)C ZINC000647123242 532366745 /nfs/dbraw/zinc/36/67/45/532366745.db2.gz HNWNPJVFEUVUFK-UHFFFAOYSA-N -1 1 386.813 2.473 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000425169080 532367843 /nfs/dbraw/zinc/36/78/43/532367843.db2.gz IWMFINMFNBDYBP-GDBMZVCRSA-N -1 1 389.901 2.160 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2nncs2)cc1)C1CCOCC1 ZINC000647132177 532368597 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CCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000677745940 532383288 /nfs/dbraw/zinc/38/32/88/532383288.db2.gz CWRVJILDWVVKBR-LBPRGKRZSA-N -1 1 378.516 2.314 20 0 GEADMM O=C(COc1ccccc1Br)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000677868650 532383627 /nfs/dbraw/zinc/38/36/27/532383627.db2.gz KXZFARQEBOFHSM-OAHLLOKOSA-N -1 1 388.225 2.247 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)NC1CCCCC1 ZINC000677888634 532384662 /nfs/dbraw/zinc/38/46/62/532384662.db2.gz WSUVODRTQVGRGB-UHFFFAOYSA-N -1 1 379.404 2.014 20 0 GEADMM Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000294817319 532385446 /nfs/dbraw/zinc/38/54/46/532385446.db2.gz FQMKLTNFAXERMV-UHFFFAOYSA-N -1 1 385.873 2.157 20 0 GEADMM CCCc1cc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000558516517 532393440 /nfs/dbraw/zinc/39/34/40/532393440.db2.gz CBRRYYOBHSQBDD-UHFFFAOYSA-N -1 1 391.280 2.586 20 0 GEADMM O=C(c1cc(Br)c(F)cc1[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000295107549 532404015 /nfs/dbraw/zinc/40/40/15/532404015.db2.gz 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398.790 2.176 20 0 GEADMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000681629718 532434620 /nfs/dbraw/zinc/43/46/20/532434620.db2.gz CIKVFUKKQASZJN-UHFFFAOYSA-N -1 1 376.335 2.364 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)C2)c(OC)c1 ZINC000561549016 532445114 /nfs/dbraw/zinc/44/51/14/532445114.db2.gz AKLLRNNPDQSQBG-NEPJUHHUSA-N -1 1 394.490 2.016 20 0 GEADMM Cc1cnc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c([O-])c1 ZINC000428018768 532441584 /nfs/dbraw/zinc/44/15/84/532441584.db2.gz XJKXIFDBHQCABJ-HNNXBMFYSA-N -1 1 390.237 2.171 20 0 GEADMM COCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000518622979 532445927 /nfs/dbraw/zinc/44/59/27/532445927.db2.gz MBDCSDLATDMSCU-QMMMGPOBSA-N -1 1 388.230 2.057 20 0 GEADMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000428416364 532451681 /nfs/dbraw/zinc/45/16/81/532451681.db2.gz AFPFNSXHKYTEMZ-ZDUSSCGKSA-N -1 1 386.832 2.327 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCC(O)(C(F)F)CC1 ZINC000428648589 532456873 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375.834 2.308 20 0 GEADMM COC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)CC1 ZINC000289682785 532862881 /nfs/dbraw/zinc/86/28/81/532862881.db2.gz ZNRIBYKMZMPXHU-QMMMGPOBSA-N -1 1 375.397 2.012 20 0 GEADMM Cc1cccc(CS(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289687362 532863178 /nfs/dbraw/zinc/86/31/78/532863178.db2.gz VOVSASWWOUQICF-CQSZACIVSA-N -1 1 378.416 2.215 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000416146730 532865079 /nfs/dbraw/zinc/86/50/79/532865079.db2.gz PQYJZQBDHDTWFL-UHFFFAOYSA-N -1 1 396.241 2.367 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000416166182 532866035 /nfs/dbraw/zinc/86/60/35/532866035.db2.gz KIAOTRSRMZSENC-UHFFFAOYSA-N -1 1 394.225 2.121 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)sc1C ZINC000333199608 532866104 /nfs/dbraw/zinc/86/61/04/532866104.db2.gz YMOJAVRRNKDKPX-LBPRGKRZSA-N -1 1 385.898 2.497 20 0 GEADMM COC(=O)[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000289897823 532866935 /nfs/dbraw/zinc/86/69/35/532866935.db2.gz TVLGQMBZXRPCOX-VIFPVBQESA-N -1 1 379.210 2.338 20 0 GEADMM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000016129401 207073704 /nfs/dbraw/zinc/07/37/04/207073704.db2.gz VHLPDQRUPWFRDM-UHFFFAOYSA-N -1 1 385.344 2.339 20 0 GEADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCN(C)C1=O ZINC000290172438 532874696 /nfs/dbraw/zinc/87/46/96/532874696.db2.gz YCUFYXOMHLCRJD-NSHDSACASA-N -1 1 378.226 2.006 20 0 GEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333965936 532876342 /nfs/dbraw/zinc/87/63/42/532876342.db2.gz QMRIOZTYERJTRP-HNNXBMFYSA-N -1 1 377.384 2.452 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000333974299 532876875 /nfs/dbraw/zinc/87/68/75/532876875.db2.gz XWLZQYPSRNXQCY-OAHLLOKOSA-N -1 1 388.283 2.196 20 0 GEADMM Cc1nn(C)c(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1C ZINC000290294766 532877639 /nfs/dbraw/zinc/87/76/39/532877639.db2.gz RYOLQHQFJOJLJV-UHFFFAOYSA-N -1 1 391.280 2.261 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cn(C)nc1C ZINC000416457775 532878033 /nfs/dbraw/zinc/87/80/33/532878033.db2.gz ORXXLVIMZYTRPR-UHFFFAOYSA-N -1 1 392.264 2.300 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C(C)C)C2CCC2)n1 ZINC000349475369 532881668 /nfs/dbraw/zinc/88/16/68/532881668.db2.gz MOPOWRZWPNGQCG-UHFFFAOYSA-N -1 1 389.543 2.115 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000349557344 532882834 /nfs/dbraw/zinc/88/28/34/532882834.db2.gz YRUGLSXQGRVFPM-CQSZACIVSA-N -1 1 389.543 2.020 20 0 GEADMM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)NC1CCCCC1 ZINC000349597220 532883399 /nfs/dbraw/zinc/88/33/99/532883399.db2.gz BOVFINLUMZVPTG-UHFFFAOYSA-N -1 1 389.543 2.028 20 0 GEADMM CCO[C@@H]1C[C@](NS(=O)(=O)c2c(F)cc(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275810268 532883582 /nfs/dbraw/zinc/88/35/82/532883582.db2.gz XVDLQXMUKZFGIC-ABAIWWIYSA-N -1 1 381.372 2.041 20 0 GEADMM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C(C)C ZINC000349461910 532881103 /nfs/dbraw/zinc/88/11/03/532881103.db2.gz AFGZTWPFQMHCRR-CQSZACIVSA-N -1 1 389.543 2.151 20 0 GEADMM CCc1cc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n(C)n1 ZINC000290566763 532884158 /nfs/dbraw/zinc/88/41/58/532884158.db2.gz SNHXUZLDPJZSAI-UHFFFAOYSA-N -1 1 391.280 2.206 20 0 GEADMM CN(C[C@H]1CCCOC1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290916897 532892633 /nfs/dbraw/zinc/89/26/33/532892633.db2.gz XJTDHQDLDQZPTO-LLVKDONJSA-N -1 1 395.308 2.157 20 0 GEADMM CN(C[C@@H]1CCCOC1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290916898 532892724 /nfs/dbraw/zinc/89/27/24/532892724.db2.gz XJTDHQDLDQZPTO-NSHDSACASA-N -1 1 395.308 2.157 20 0 GEADMM CN1CC[C@H](CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1=O ZINC000424940828 532897831 /nfs/dbraw/zinc/89/78/31/532897831.db2.gz COMCQDDCVJOKHO-JTQLQIEISA-N -1 1 392.253 2.301 20 0 GEADMM Cc1oc(C(=O)Nc2nc(Cl)ccc2[O-])cc1S(=O)(=O)N1CCCC1 ZINC000276714803 532900384 /nfs/dbraw/zinc/90/03/84/532900384.db2.gz RPLIEVFCSFKIQS-UHFFFAOYSA-N -1 1 385.829 2.379 20 0 GEADMM CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000291536139 532904071 /nfs/dbraw/zinc/90/40/71/532904071.db2.gz KUGNJSSJQIMRBJ-GHMZBOCLSA-N -1 1 395.308 2.298 20 0 GEADMM C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSc1n[nH]c(=S)s1 ZINC000365822143 532912248 /nfs/dbraw/zinc/91/22/48/532912248.db2.gz URTSHLIEGZLGGC-AAEUAGOBSA-N -1 1 395.579 2.341 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000292220989 532914309 /nfs/dbraw/zinc/91/43/09/532914309.db2.gz MEYQLQVBAOKBBQ-CQSZACIVSA-N -1 1 384.504 2.331 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C3CC3)cnc2Cl)c1 ZINC000292230754 532914318 /nfs/dbraw/zinc/91/43/18/532914318.db2.gz MWJFCRSSXNOCCN-UHFFFAOYSA-N -1 1 381.841 2.478 20 0 GEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1Cl ZINC000292567650 532916801 /nfs/dbraw/zinc/91/68/01/532916801.db2.gz YMGLOZMFFYEOOE-JTQLQIEISA-N -1 1 385.829 2.085 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366654207 532919983 /nfs/dbraw/zinc/91/99/83/532919983.db2.gz LHFDROTVCWODEN-MNOVXSKESA-N -1 1 387.217 2.495 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366656335 532919990 /nfs/dbraw/zinc/91/99/90/532919990.db2.gz PTVRKCZMAHMGCX-QWRGUYRKSA-N -1 1 380.246 2.136 20 0 GEADMM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000293121360 532922429 /nfs/dbraw/zinc/92/24/29/532922429.db2.gz PGAXFEPXTQVTHZ-GFCCVEGCSA-N -1 1 377.388 2.068 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)c(C(F)(F)F)n1 ZINC000293215347 532923667 /nfs/dbraw/zinc/92/36/67/532923667.db2.gz VFIGCSCMSMBCMG-UHFFFAOYSA-N -1 1 399.192 2.075 20 0 GEADMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293531072 532928346 /nfs/dbraw/zinc/92/83/46/532928346.db2.gz PNIWIOANNCEGFX-CMPLNLGQSA-N -1 1 377.388 2.229 20 0 GEADMM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293566370 532928898 /nfs/dbraw/zinc/92/88/98/532928898.db2.gz SIZHUVROHLYTJL-RKDXNWHRSA-N -1 1 383.417 2.291 20 0 GEADMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293640632 532929628 /nfs/dbraw/zinc/92/96/28/532929628.db2.gz XNHQVDVIRZVJEB-LLVKDONJSA-N -1 1 377.388 2.493 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)c2ccc(Cl)c(F)c2)no1 ZINC000368942714 532935768 /nfs/dbraw/zinc/93/57/68/532935768.db2.gz YYEKUYSACIGKGU-ULCPSODYSA-N -1 1 389.836 2.357 20 0 GEADMM O=C(CCOCC(F)(F)F)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368504495 532933019 /nfs/dbraw/zinc/93/30/19/532933019.db2.gz VRJRRTIPJHAUEE-NSHDSACASA-N -1 1 381.717 2.167 20 0 GEADMM Cn1cc([C@H]2[C@@H](CNS(=O)(=O)c3ccc(Cl)s3)CCC[N@H+]2C)cn1 ZINC000371738501 532949488 /nfs/dbraw/zinc/94/94/88/532949488.db2.gz DMKTYHNLWHJOKK-IAQYHMDHSA-N -1 1 388.946 2.496 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000737488509 598839004 /nfs/dbraw/zinc/83/90/04/598839004.db2.gz WIJULSJDUXBFDE-JYAVWHMHSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000737488509 598839007 /nfs/dbraw/zinc/83/90/07/598839007.db2.gz WIJULSJDUXBFDE-JYAVWHMHSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1occc1COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737486793 598857535 /nfs/dbraw/zinc/85/75/35/598857535.db2.gz FDCMRXCQURSSIR-UHFFFAOYSA-N -1 1 381.396 2.104 20 0 GEADMM Cc1occc1COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737486793 598857538 /nfs/dbraw/zinc/85/75/38/598857538.db2.gz FDCMRXCQURSSIR-UHFFFAOYSA-N -1 1 381.396 2.104 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000736290183 598866479 /nfs/dbraw/zinc/86/64/79/598866479.db2.gz PRPNGJPNBZJGEA-SNVBAGLBSA-N -1 1 391.840 2.496 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000736290183 598866481 /nfs/dbraw/zinc/86/64/81/598866481.db2.gz PRPNGJPNBZJGEA-SNVBAGLBSA-N -1 1 391.840 2.496 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000737239049 598867288 /nfs/dbraw/zinc/86/72/88/598867288.db2.gz YXXKIPWNMNKFJC-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000738214397 598867546 /nfs/dbraw/zinc/86/75/46/598867546.db2.gz MCRLBPKNJPMVCZ-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM C[C@H](c1ccccn1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736205468 598873523 /nfs/dbraw/zinc/87/35/23/598873523.db2.gz WXRGKJXXIHLFQZ-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM C[C@H](c1ccccn1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736205468 598873525 /nfs/dbraw/zinc/87/35/25/598873525.db2.gz WXRGKJXXIHLFQZ-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H](O)c1cccnc1 ZINC000738111855 598892773 /nfs/dbraw/zinc/89/27/73/598892773.db2.gz MBDVSXDNOKHRBX-QGZVFWFLSA-N -1 1 392.444 2.340 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000737300695 598930079 /nfs/dbraw/zinc/93/00/79/598930079.db2.gz DYGBGFMABBVFKK-UHFFFAOYSA-N -1 1 398.448 2.103 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)ccc1C ZINC000735481133 598948075 /nfs/dbraw/zinc/94/80/75/598948075.db2.gz FILGNRQVNJVIOX-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM c1ncn(Cc2ccccc2CNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000738436938 598959671 /nfs/dbraw/zinc/95/96/71/598959671.db2.gz VXHKSOZPTNHIAZ-UHFFFAOYSA-N -1 1 384.407 2.062 20 0 GEADMM c1ncn(Cc2ccccc2CNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000738436938 598959673 /nfs/dbraw/zinc/95/96/73/598959673.db2.gz VXHKSOZPTNHIAZ-UHFFFAOYSA-N -1 1 384.407 2.062 20 0 GEADMM O=C(NC1CC1)c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000738018630 598961106 /nfs/dbraw/zinc/96/11/06/598961106.db2.gz CIDRRWRQXNXUTF-UHFFFAOYSA-N -1 1 386.419 2.314 20 0 GEADMM O=C(NC1CC1)c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000738018630 598961108 /nfs/dbraw/zinc/96/11/08/598961108.db2.gz CIDRRWRQXNXUTF-UHFFFAOYSA-N -1 1 386.419 2.314 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c(C)c1 ZINC000821669452 607255092 /nfs/dbraw/zinc/25/50/92/607255092.db2.gz MLNWOYHLETYZAK-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735624912 598968058 /nfs/dbraw/zinc/96/80/58/598968058.db2.gz CDKQHAUCHXVFEZ-NSHDSACASA-N -1 1 382.428 2.231 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735624912 598968059 /nfs/dbraw/zinc/96/80/59/598968059.db2.gz CDKQHAUCHXVFEZ-NSHDSACASA-N -1 1 382.428 2.231 20 0 GEADMM O=C(Nc1ccccc1I)c1ccc(-c2nnn[n-]2)nc1 ZINC000738189689 598979767 /nfs/dbraw/zinc/97/97/67/598979767.db2.gz KWCZOJHQBZFEHR-UHFFFAOYSA-N -1 1 392.160 2.119 20 0 GEADMM O=C(Nc1ccccc1I)c1ccc(-c2nn[n-]n2)nc1 ZINC000738189689 598979769 /nfs/dbraw/zinc/97/97/69/598979769.db2.gz KWCZOJHQBZFEHR-UHFFFAOYSA-N -1 1 392.160 2.119 20 0 GEADMM CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000736600271 599000199 /nfs/dbraw/zinc/00/01/99/599000199.db2.gz SWHNVWOLQUWYCP-UHFFFAOYSA-N -1 1 391.391 2.032 20 0 GEADMM CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000736600271 599000201 /nfs/dbraw/zinc/00/02/01/599000201.db2.gz SWHNVWOLQUWYCP-UHFFFAOYSA-N -1 1 391.391 2.032 20 0 GEADMM O=C(N[C@H]1CCc2c1cccc2Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036231 599002094 /nfs/dbraw/zinc/00/20/94/599002094.db2.gz OYQASMGHDQRSSB-ZDUSSCGKSA-N -1 1 385.225 2.442 20 0 GEADMM O=C(N[C@H]1CCc2c1cccc2Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036231 599002096 /nfs/dbraw/zinc/00/20/96/599002096.db2.gz OYQASMGHDQRSSB-ZDUSSCGKSA-N -1 1 385.225 2.442 20 0 GEADMM O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145004 599005151 /nfs/dbraw/zinc/00/51/51/599005151.db2.gz QBONLKHJQZNCGO-ZDUSSCGKSA-N -1 1 384.371 2.211 20 0 GEADMM O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145004 599005153 /nfs/dbraw/zinc/00/51/53/599005153.db2.gz QBONLKHJQZNCGO-ZDUSSCGKSA-N -1 1 384.371 2.211 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](C)C(C)(C)C ZINC000737488206 599008186 /nfs/dbraw/zinc/00/81/86/599008186.db2.gz RCCDGGZLAKQOKX-NSHDSACASA-N -1 1 384.488 2.257 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](C)C(C)(C)C ZINC000737488206 599008188 /nfs/dbraw/zinc/00/81/88/599008188.db2.gz RCCDGGZLAKQOKX-NSHDSACASA-N -1 1 384.488 2.257 20 0 GEADMM O=C(Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1)Nc1ccccc1Cl ZINC000737977358 599010262 /nfs/dbraw/zinc/01/02/62/599010262.db2.gz BBZGNFXWOIOQBD-UHFFFAOYSA-N -1 1 382.771 2.146 20 0 GEADMM O=C(Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1)Nc1ccccc1Cl ZINC000737977358 599010264 /nfs/dbraw/zinc/01/02/64/599010264.db2.gz BBZGNFXWOIOQBD-UHFFFAOYSA-N -1 1 382.771 2.146 20 0 GEADMM C[S@@](=O)Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC000737171565 599017011 /nfs/dbraw/zinc/01/70/11/599017011.db2.gz DAWITOTZUYYZDK-RUZDIDTESA-N -1 1 376.829 2.046 20 0 GEADMM C[S@@](=O)Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC000737171565 599017013 /nfs/dbraw/zinc/01/70/13/599017013.db2.gz DAWITOTZUYYZDK-RUZDIDTESA-N -1 1 376.829 2.046 20 0 GEADMM CC(C)c1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000735923558 599019189 /nfs/dbraw/zinc/01/91/89/599019189.db2.gz MKHGOPQWRJWGNQ-UHFFFAOYSA-N -1 1 391.479 2.343 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000819933184 599056261 /nfs/dbraw/zinc/05/62/61/599056261.db2.gz IUDNSKFJRQVAOE-ZDUSSCGKSA-N -1 1 382.428 2.335 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000819933184 599056264 /nfs/dbraw/zinc/05/62/64/599056264.db2.gz IUDNSKFJRQVAOE-ZDUSSCGKSA-N -1 1 382.428 2.335 20 0 GEADMM COC(=O)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000821641263 599057217 /nfs/dbraw/zinc/05/72/17/599057217.db2.gz ZDCSZPGZIKCFFM-CQSZACIVSA-N -1 1 375.392 2.179 20 0 GEADMM COC(=O)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000821641263 599057220 /nfs/dbraw/zinc/05/72/20/599057220.db2.gz ZDCSZPGZIKCFFM-CQSZACIVSA-N -1 1 375.392 2.179 20 0 GEADMM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737190875 599138538 /nfs/dbraw/zinc/13/85/38/599138538.db2.gz JPMVWITVYNUUOL-SNVBAGLBSA-N -1 1 384.421 2.168 20 0 GEADMM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737190875 599138542 /nfs/dbraw/zinc/13/85/42/599138542.db2.gz JPMVWITVYNUUOL-SNVBAGLBSA-N -1 1 384.421 2.168 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736158025 599142235 /nfs/dbraw/zinc/14/22/35/599142235.db2.gz ODQGZGMZNRMYRD-FZMZJTMJSA-N -1 1 398.448 2.232 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736158025 599142237 /nfs/dbraw/zinc/14/22/37/599142237.db2.gz ODQGZGMZNRMYRD-FZMZJTMJSA-N -1 1 398.448 2.232 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736158027 599142401 /nfs/dbraw/zinc/14/24/01/599142401.db2.gz ODQGZGMZNRMYRD-SMDDNHRTSA-N -1 1 398.448 2.232 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000736158027 599142403 /nfs/dbraw/zinc/14/24/03/599142403.db2.gz ODQGZGMZNRMYRD-SMDDNHRTSA-N -1 1 398.448 2.232 20 0 GEADMM CC(C)CNC(=O)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735838193 599142432 /nfs/dbraw/zinc/14/24/32/599142432.db2.gz DTUVXUXZIBFNPH-UHFFFAOYSA-N -1 1 380.408 2.005 20 0 GEADMM CC(C)CNC(=O)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735838193 599142434 /nfs/dbraw/zinc/14/24/34/599142434.db2.gz DTUVXUXZIBFNPH-UHFFFAOYSA-N -1 1 380.408 2.005 20 0 GEADMM O=C(NCCC1CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823181671 599191615 /nfs/dbraw/zinc/19/16/15/599191615.db2.gz CGMQPKIUPOUCQR-UHFFFAOYSA-N -1 1 397.439 2.247 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@@H](O)c1ccccc1 ZINC000822542254 599198075 /nfs/dbraw/zinc/19/80/75/599198075.db2.gz WQSMRUSJYMIYQD-OAHLLOKOSA-N -1 1 392.419 2.412 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@@H](O)c1ccccc1 ZINC000822542254 599198078 /nfs/dbraw/zinc/19/80/78/599198078.db2.gz WQSMRUSJYMIYQD-OAHLLOKOSA-N -1 1 392.419 2.412 20 0 GEADMM Cc1nsc([N-]C(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)n1 ZINC000822534808 599200256 /nfs/dbraw/zinc/20/02/56/599200256.db2.gz ACDSUHAWSIKTGK-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM CCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)nc(C)n1 ZINC000736676144 599224506 /nfs/dbraw/zinc/22/45/06/599224506.db2.gz AQPPQWJVVVWLPR-UHFFFAOYSA-N -1 1 378.396 2.472 20 0 GEADMM CCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)nc(C)n1 ZINC000736676144 599224507 /nfs/dbraw/zinc/22/45/07/599224507.db2.gz AQPPQWJVVVWLPR-UHFFFAOYSA-N -1 1 378.396 2.472 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000737486890 599224861 /nfs/dbraw/zinc/22/48/61/599224861.db2.gz GDFPQLUZVCUHIX-WMLDXEAASA-N -1 1 394.483 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000737486890 599224864 /nfs/dbraw/zinc/22/48/64/599224864.db2.gz GDFPQLUZVCUHIX-WMLDXEAASA-N -1 1 394.483 2.250 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737270178 599227986 /nfs/dbraw/zinc/22/79/86/599227986.db2.gz KWAZOZGDZHUJRH-OAHLLOKOSA-N -1 1 381.415 2.108 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737270178 599227988 /nfs/dbraw/zinc/22/79/88/599227988.db2.gz KWAZOZGDZHUJRH-OAHLLOKOSA-N -1 1 381.415 2.108 20 0 GEADMM Cc1ccc([C@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000822233455 599236616 /nfs/dbraw/zinc/23/66/16/599236616.db2.gz PIWLMXFFZWGZBG-IAQYHMDHSA-N -1 1 388.453 2.325 20 0 GEADMM Cc1ccc([C@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000822233455 599236618 /nfs/dbraw/zinc/23/66/18/599236618.db2.gz PIWLMXFFZWGZBG-IAQYHMDHSA-N -1 1 388.453 2.325 20 0 GEADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000819381013 597079106 /nfs/dbraw/zinc/07/91/06/597079106.db2.gz XOZDOQGDACJJCS-OAHLLOKOSA-N -1 1 387.480 2.484 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000427299114 597328995 /nfs/dbraw/zinc/32/89/95/597328995.db2.gz JJDXGKAIPTYFLL-LBPRGKRZSA-N -1 1 392.433 2.007 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000820996500 597491097 /nfs/dbraw/zinc/49/10/97/597491097.db2.gz CUWWIZNTIJJVBJ-MSOLQXFVSA-N -1 1 381.432 2.193 20 0 GEADMM CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000819922247 607314116 /nfs/dbraw/zinc/31/41/16/607314116.db2.gz IBSXBYGNGGJKJF-UHFFFAOYSA-N -1 1 390.469 2.290 20 0 GEADMM CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000819922247 607314117 /nfs/dbraw/zinc/31/41/17/607314117.db2.gz IBSXBYGNGGJKJF-UHFFFAOYSA-N -1 1 390.469 2.290 20 0 GEADMM CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821620334 607325917 /nfs/dbraw/zinc/32/59/17/607325917.db2.gz GLPHXVKRBXOLBM-ZDUSSCGKSA-N -1 1 375.186 2.419 20 0 GEADMM CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821620334 607325918 /nfs/dbraw/zinc/32/59/18/607325918.db2.gz GLPHXVKRBXOLBM-ZDUSSCGKSA-N -1 1 375.186 2.419 20 0 GEADMM Cc1ccc(-c2n[nH]c(NC(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)n2)o1 ZINC000821058624 598213192 /nfs/dbraw/zinc/21/31/92/598213192.db2.gz YYWKEVWNYITXJX-CYBMUJFWSA-N -1 1 380.364 2.031 20 0 GEADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1nc(C)cs1 ZINC000736362966 598261557 /nfs/dbraw/zinc/26/15/57/598261557.db2.gz LMYDPEHJLYTWCY-JTQLQIEISA-N -1 1 391.482 2.335 20 0 GEADMM C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736195364 598261828 /nfs/dbraw/zinc/26/18/28/598261828.db2.gz GMGXBTSOFQFNCO-NSHDSACASA-N -1 1 384.421 2.390 20 0 GEADMM C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736195364 598261830 /nfs/dbraw/zinc/26/18/30/598261830.db2.gz GMGXBTSOFQFNCO-NSHDSACASA-N -1 1 384.421 2.390 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736369458 598261872 /nfs/dbraw/zinc/26/18/72/598261872.db2.gz NCKXQMIZRHPGNP-CYBMUJFWSA-N -1 1 378.845 2.345 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736369458 598261873 /nfs/dbraw/zinc/26/18/73/598261873.db2.gz NCKXQMIZRHPGNP-CYBMUJFWSA-N -1 1 378.845 2.345 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000738353781 598264970 /nfs/dbraw/zinc/26/49/70/598264970.db2.gz GWQOWJMAZHZDNZ-HNNXBMFYSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000738353781 598264971 /nfs/dbraw/zinc/26/49/71/598264971.db2.gz GWQOWJMAZHZDNZ-HNNXBMFYSA-N -1 1 390.856 2.441 20 0 GEADMM CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735874104 598268176 /nfs/dbraw/zinc/26/81/76/598268176.db2.gz MMQHMQZZJMCIQM-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735874104 598268178 /nfs/dbraw/zinc/26/81/78/598268178.db2.gz MMQHMQZZJMCIQM-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM C[C@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735984615 598268394 /nfs/dbraw/zinc/26/83/94/598268394.db2.gz FUPJCOXNXJZMHZ-CYBMUJFWSA-N -1 1 386.481 2.296 20 0 GEADMM C[C@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735984615 598268396 /nfs/dbraw/zinc/26/83/96/598268396.db2.gz FUPJCOXNXJZMHZ-CYBMUJFWSA-N -1 1 386.481 2.296 20 0 GEADMM CCCN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736472868 598268877 /nfs/dbraw/zinc/26/88/77/598268877.db2.gz VEXMYNYJYIZCDW-INIZCTEOSA-N -1 1 398.492 2.220 20 0 GEADMM CCCN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736472868 598268879 /nfs/dbraw/zinc/26/88/79/598268879.db2.gz VEXMYNYJYIZCDW-INIZCTEOSA-N -1 1 398.492 2.220 20 0 GEADMM O=S(=O)(NCCc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337407 598269577 /nfs/dbraw/zinc/26/95/77/598269577.db2.gz AFUNIQHAROOUPI-UHFFFAOYSA-N -1 1 399.263 2.090 20 0 GEADMM O=S(=O)(NCCc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337407 598269578 /nfs/dbraw/zinc/26/95/78/598269578.db2.gz AFUNIQHAROOUPI-UHFFFAOYSA-N -1 1 399.263 2.090 20 0 GEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC000737297312 598283559 /nfs/dbraw/zinc/28/35/59/598283559.db2.gz URSMNHYFJKRZSN-UHFFFAOYSA-N -1 1 379.423 2.044 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)C(=O)NC(C)(C)C ZINC000737549494 598298082 /nfs/dbraw/zinc/29/80/82/598298082.db2.gz VYUNAMYBDQAANX-LLVKDONJSA-N -1 1 386.412 2.019 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)C(=O)NC(C)(C)C ZINC000737549494 598298084 /nfs/dbraw/zinc/29/80/84/598298084.db2.gz VYUNAMYBDQAANX-LLVKDONJSA-N -1 1 386.412 2.019 20 0 GEADMM Cc1ccn(CC(=O)N[C@H](C)c2ccc3ccccc3c2)c(=O)c1-c1nn[n-]n1 ZINC000822370423 607349671 /nfs/dbraw/zinc/34/96/71/607349671.db2.gz XLTUJNFWARXSEG-CQSZACIVSA-N -1 1 388.431 2.367 20 0 GEADMM FC(F)(F)c1ccc(N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC000737635639 598344527 /nfs/dbraw/zinc/34/45/27/598344527.db2.gz KLNPNLRFHKWUCY-UHFFFAOYSA-N -1 1 391.361 2.151 20 0 GEADMM FC(F)(F)c1ccc(N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC000737635639 598344529 /nfs/dbraw/zinc/34/45/29/598344529.db2.gz KLNPNLRFHKWUCY-UHFFFAOYSA-N -1 1 391.361 2.151 20 0 GEADMM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1nccnc1-c1nnn[n-]1 ZINC000736798307 598345577 /nfs/dbraw/zinc/34/55/77/598345577.db2.gz UQVLPNNZZGLHTL-UHFFFAOYSA-N -1 1 379.403 2.255 20 0 GEADMM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1nccnc1-c1nn[n-]n1 ZINC000736798307 598345579 /nfs/dbraw/zinc/34/55/79/598345579.db2.gz UQVLPNNZZGLHTL-UHFFFAOYSA-N -1 1 379.403 2.255 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cc(Cl)ccc2Br)n1 ZINC000822604250 607352852 /nfs/dbraw/zinc/35/28/52/607352852.db2.gz AAHYOBFLJPPTSH-UHFFFAOYSA-N -1 1 396.636 2.197 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cc(Cl)ccc2Br)n1 ZINC000822604250 607352854 /nfs/dbraw/zinc/35/28/54/607352854.db2.gz AAHYOBFLJPPTSH-UHFFFAOYSA-N -1 1 396.636 2.197 20 0 GEADMM COC(=O)c1coc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000736956038 598359481 /nfs/dbraw/zinc/35/94/81/598359481.db2.gz CLYSEAWOYSIUHQ-UHFFFAOYSA-N -1 1 397.347 2.295 20 0 GEADMM COC(=O)c1coc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000736956038 598359482 /nfs/dbraw/zinc/35/94/82/598359482.db2.gz CLYSEAWOYSIUHQ-UHFFFAOYSA-N -1 1 397.347 2.295 20 0 GEADMM CCc1nn(Cc2cc(-c3ccccc3)on2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708544 598378567 /nfs/dbraw/zinc/37/85/67/598378567.db2.gz YADGIBFTCIAQSU-UHFFFAOYSA-N -1 1 377.408 2.252 20 0 GEADMM COc1ccc(NC(=S)NNc2oc(C)nc2-c2nn[n-]n2)cc1Cl ZINC000737104627 598378651 /nfs/dbraw/zinc/37/86/51/598378651.db2.gz SNEBZNWROOMHTM-UHFFFAOYSA-N -1 1 380.821 2.139 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000823126037 607354487 /nfs/dbraw/zinc/35/44/87/607354487.db2.gz GAOGNOLHBQBNGC-HNNXBMFYSA-N -1 1 386.847 2.159 20 0 GEADMM C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000736158132 598411462 /nfs/dbraw/zinc/41/14/62/598411462.db2.gz PBNJZYBHGBFRQW-LLVKDONJSA-N -1 1 399.382 2.432 20 0 GEADMM C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000736158132 598411463 /nfs/dbraw/zinc/41/14/63/598411463.db2.gz PBNJZYBHGBFRQW-LLVKDONJSA-N -1 1 399.382 2.432 20 0 GEADMM Cc1ccc(F)c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000737343000 598420124 /nfs/dbraw/zinc/42/01/24/598420124.db2.gz KITPANFTWAEUGR-UHFFFAOYSA-N -1 1 397.414 2.142 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000737487767 598494784 /nfs/dbraw/zinc/49/47/84/598494784.db2.gz MWKVLPHGIDMHBE-YEORSEQZSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000737487767 598494786 /nfs/dbraw/zinc/49/47/86/598494786.db2.gz MWKVLPHGIDMHBE-YEORSEQZSA-N -1 1 382.472 2.154 20 0 GEADMM CCN(C(C)=O)c1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cs1 ZINC000736509180 598502417 /nfs/dbraw/zinc/50/24/17/598502417.db2.gz UDHYIUUHVMYIRA-UHFFFAOYSA-N -1 1 395.448 2.059 20 0 GEADMM O=c1cc(CSc2ccnc3ccccc32)[nH]c2c(-c3nn[n-]n3)cnn21 ZINC000738396710 598504758 /nfs/dbraw/zinc/50/47/58/598504758.db2.gz KXLXEKYDSGZHII-UHFFFAOYSA-N -1 1 376.405 2.456 20 0 GEADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736816480 598572905 /nfs/dbraw/zinc/57/29/05/598572905.db2.gz JEBRTBZVFFMSQX-UHFFFAOYSA-N -1 1 383.843 2.444 20 0 GEADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736816480 598572906 /nfs/dbraw/zinc/57/29/06/598572906.db2.gz JEBRTBZVFFMSQX-UHFFFAOYSA-N -1 1 383.843 2.444 20 0 GEADMM Cc1nn(Cc2csc(-c3ccccc3F)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737523743 598581009 /nfs/dbraw/zinc/58/10/09/598581009.db2.gz RZZWHUYZSNPCLO-UHFFFAOYSA-N -1 1 383.412 2.351 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000737488836 598597732 /nfs/dbraw/zinc/59/77/32/598597732.db2.gz YCMWIBIEEUADDP-QGZVFWFLSA-N -1 1 394.483 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000737488836 598597734 /nfs/dbraw/zinc/59/77/34/598597734.db2.gz YCMWIBIEEUADDP-QGZVFWFLSA-N -1 1 394.483 2.250 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCOCC(F)(F)F ZINC000737548992 598607254 /nfs/dbraw/zinc/60/72/54/598607254.db2.gz TURDANRBPDKTQE-UHFFFAOYSA-N -1 1 385.302 2.295 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCOCC(F)(F)F ZINC000737548992 598607255 /nfs/dbraw/zinc/60/72/55/598607255.db2.gz TURDANRBPDKTQE-UHFFFAOYSA-N -1 1 385.302 2.295 20 0 GEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736780662 598607613 /nfs/dbraw/zinc/60/76/13/598607613.db2.gz ZKZPWLWUMAHCOU-UHFFFAOYSA-N -1 1 378.845 2.387 20 0 GEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736165015 598618251 /nfs/dbraw/zinc/61/82/51/598618251.db2.gz RATLJHXLPAPUQN-GHMZBOCLSA-N -1 1 383.433 2.451 20 0 GEADMM CC(=O)c1ccc(OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(F)c1 ZINC000735495518 598660830 /nfs/dbraw/zinc/66/08/30/598660830.db2.gz JDKYXGQONSOORT-UHFFFAOYSA-N -1 1 399.382 2.464 20 0 GEADMM CCC(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736308200 598686556 /nfs/dbraw/zinc/68/65/56/598686556.db2.gz ASGHLJAZTJOLCO-UHFFFAOYSA-N -1 1 376.369 2.366 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N(C1CC1)C1CCCC1 ZINC000737983435 598719848 /nfs/dbraw/zinc/71/98/48/598719848.db2.gz VLJNQBDGSCBIPL-UHFFFAOYSA-N -1 1 378.436 2.115 20 0 GEADMM CCc1cc(N2CCC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)ncn1 ZINC000736676722 598785743 /nfs/dbraw/zinc/78/57/43/598785743.db2.gz UHERQAGMWGFPGA-JTQLQIEISA-N -1 1 391.892 2.410 20 0 GEADMM CCc1cc(N2CCC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)ncn1 ZINC000736676722 598785744 /nfs/dbraw/zinc/78/57/44/598785744.db2.gz UHERQAGMWGFPGA-JTQLQIEISA-N -1 1 391.892 2.410 20 0 GEADMM CCc1cc(N2CCC[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2)ncn1 ZINC000736676046 598785881 /nfs/dbraw/zinc/78/58/81/598785881.db2.gz PEWVSQXAGWDONY-GFCCVEGCSA-N -1 1 385.863 2.348 20 0 GEADMM CCc1cc(N2CCC[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2)ncn1 ZINC000736676046 598785882 /nfs/dbraw/zinc/78/58/82/598785882.db2.gz PEWVSQXAGWDONY-GFCCVEGCSA-N -1 1 385.863 2.348 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@H]2CCC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737552883 598800620 /nfs/dbraw/zinc/80/06/20/598800620.db2.gz RTQMGAKNOGDNBW-GWCFXTLKSA-N -1 1 391.428 2.154 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000737486523 598807809 /nfs/dbraw/zinc/80/78/09/598807809.db2.gz CDJZJNXRCUYACL-UHFFFAOYSA-N -1 1 398.814 2.066 20 0 GEADMM CC(C)[C@@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000735702113 598809738 /nfs/dbraw/zinc/80/97/38/598809738.db2.gz NCGWUBJKICCISA-GFCCVEGCSA-N -1 1 385.428 2.055 20 0 GEADMM CCC[C@@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736418505 598810231 /nfs/dbraw/zinc/81/02/31/598810231.db2.gz FOEUGNDYLJFGFO-GFCCVEGCSA-N -1 1 385.428 2.200 20 0 GEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000737332674 599294397 /nfs/dbraw/zinc/29/43/97/599294397.db2.gz RAUCCQQMZQCVRR-GFCCVEGCSA-N -1 1 377.401 2.433 20 0 GEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000737332674 599294399 /nfs/dbraw/zinc/29/43/99/599294399.db2.gz RAUCCQQMZQCVRR-GFCCVEGCSA-N -1 1 377.401 2.433 20 0 GEADMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000819891985 599303091 /nfs/dbraw/zinc/30/30/91/599303091.db2.gz OSJBGFNOQKIUGQ-UHFFFAOYSA-N -1 1 387.421 2.030 20 0 GEADMM COc1ccccc1CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737150784 599334573 /nfs/dbraw/zinc/33/45/73/599334573.db2.gz VNURNXOJVBCFCM-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738355719 599335330 /nfs/dbraw/zinc/33/53/30/599335330.db2.gz QKRBOURCHVVBEK-MRVPVSSYSA-N -1 1 395.794 2.483 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](c2ccccc2F)C1 ZINC000823607378 599344156 /nfs/dbraw/zinc/34/41/56/599344156.db2.gz SXFNLWPIVUUBTO-NSHDSACASA-N -1 1 391.403 2.323 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](c2ccccc2F)C1 ZINC000823607378 599344159 /nfs/dbraw/zinc/34/41/59/599344159.db2.gz SXFNLWPIVUUBTO-NSHDSACASA-N -1 1 391.403 2.323 20 0 GEADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820665170 599350701 /nfs/dbraw/zinc/35/07/01/599350701.db2.gz DRJXRLKQQSTHFJ-XJKCOSOUSA-N -1 1 384.465 2.217 20 0 GEADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820665170 599350705 /nfs/dbraw/zinc/35/07/05/599350705.db2.gz DRJXRLKQQSTHFJ-XJKCOSOUSA-N -1 1 384.465 2.217 20 0 GEADMM FC(F)(F)c1cc(Cl)c2nnc(CNCc3ccc(-c4nnn[n-]4)o3)n2c1 ZINC000822723787 599402794 /nfs/dbraw/zinc/40/27/94/599402794.db2.gz OLWFLNHQAMCVHQ-UHFFFAOYSA-N -1 1 398.736 2.464 20 0 GEADMM FC(F)(F)c1cc(Cl)c2nnc(CNCc3ccc(-c4nn[n-]n4)o3)n2c1 ZINC000822723787 599402795 /nfs/dbraw/zinc/40/27/95/599402795.db2.gz OLWFLNHQAMCVHQ-UHFFFAOYSA-N -1 1 398.736 2.464 20 0 GEADMM CN(C)c1ccccc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821590842 607376000 /nfs/dbraw/zinc/37/60/00/607376000.db2.gz IVHGROFZSPRJAX-UHFFFAOYSA-N -1 1 392.872 2.411 20 0 GEADMM CN(C)c1ccccc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821590842 607376002 /nfs/dbraw/zinc/37/60/02/607376002.db2.gz IVHGROFZSPRJAX-UHFFFAOYSA-N -1 1 392.872 2.411 20 0 GEADMM COc1ccc(C(=O)NCCNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000821773026 599485802 /nfs/dbraw/zinc/48/58/02/599485802.db2.gz XCXPTGCRTYWUJB-UHFFFAOYSA-N -1 1 389.419 2.265 20 0 GEADMM COc1ccc(C(=O)NCCNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000821773026 599485805 /nfs/dbraw/zinc/48/58/05/599485805.db2.gz XCXPTGCRTYWUJB-UHFFFAOYSA-N -1 1 389.419 2.265 20 0 GEADMM CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820634367 599491878 /nfs/dbraw/zinc/49/18/78/599491878.db2.gz GTLBCQPNWUWJMY-CQSZACIVSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820634367 599491880 /nfs/dbraw/zinc/49/18/80/599491880.db2.gz GTLBCQPNWUWJMY-CQSZACIVSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1 ZINC000820635777 599492074 /nfs/dbraw/zinc/49/20/74/599492074.db2.gz NJWRRUNPTPEEQN-AWEZNQCLSA-N -1 1 399.798 2.380 20 0 GEADMM CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1 ZINC000820635777 599492075 /nfs/dbraw/zinc/49/20/75/599492075.db2.gz NJWRRUNPTPEEQN-AWEZNQCLSA-N -1 1 399.798 2.380 20 0 GEADMM CC(C)C(=O)NC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820012212 599515773 /nfs/dbraw/zinc/51/57/73/599515773.db2.gz WMNYFAYOBOCNAL-AWEZNQCLSA-N -1 1 379.468 2.404 20 0 GEADMM CC(C)C(=O)NC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820012212 599515776 /nfs/dbraw/zinc/51/57/76/599515776.db2.gz WMNYFAYOBOCNAL-AWEZNQCLSA-N -1 1 379.468 2.404 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000822459166 599548655 /nfs/dbraw/zinc/54/86/55/599548655.db2.gz OAILZINDHARYQJ-NWDGAFQWSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000822459166 599548656 /nfs/dbraw/zinc/54/86/56/599548656.db2.gz OAILZINDHARYQJ-NWDGAFQWSA-N -1 1 382.472 2.106 20 0 GEADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC000735525587 599563882 /nfs/dbraw/zinc/56/38/82/599563882.db2.gz NLCWOEDCTAHQKM-LLVKDONJSA-N -1 1 399.480 2.246 20 0 GEADMM CN(C1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736779746 599594078 /nfs/dbraw/zinc/59/40/78/599594078.db2.gz PCUQDUILCWZVKA-UHFFFAOYSA-N -1 1 375.376 2.449 20 0 GEADMM CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736395820 599595307 /nfs/dbraw/zinc/59/53/07/599595307.db2.gz IXZPYMQGHHQWEN-OAHLLOKOSA-N -1 1 376.417 2.173 20 0 GEADMM Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737421534 599596160 /nfs/dbraw/zinc/59/61/60/599596160.db2.gz KJICECUUGREDQA-KGLIPLIRSA-N -1 1 384.465 2.137 20 0 GEADMM Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737421534 599596161 /nfs/dbraw/zinc/59/61/61/599596161.db2.gz KJICECUUGREDQA-KGLIPLIRSA-N -1 1 384.465 2.137 20 0 GEADMM C[C@@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736305108 599596979 /nfs/dbraw/zinc/59/69/79/599596979.db2.gz SYFWAFPGXFBVSN-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM CN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C1CCC1 ZINC000821568459 599612572 /nfs/dbraw/zinc/61/25/72/599612572.db2.gz VKNZGMPBBINRKN-UHFFFAOYSA-N -1 1 393.407 2.003 20 0 GEADMM O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1sccc1-c1nn[n-]n1 ZINC000823440181 599659173 /nfs/dbraw/zinc/65/91/73/599659173.db2.gz GLGQJBZSYFQHCK-UHFFFAOYSA-N -1 1 386.368 2.398 20 0 GEADMM CS[C@H]1CCCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821955966 607391063 /nfs/dbraw/zinc/39/10/63/607391063.db2.gz CWEIZVCGOWLEHG-NSHDSACASA-N -1 1 387.918 2.426 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000736649502 599755282 /nfs/dbraw/zinc/75/52/82/599755282.db2.gz HJXSRIXXYIQQQP-LRDDRELGSA-N -1 1 380.404 2.013 20 0 GEADMM O=C([O-])[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(Br)cc1 ZINC000739498641 599789767 /nfs/dbraw/zinc/78/97/67/599789767.db2.gz BLJMMQOBEUHBCC-MRXNPFEDSA-N -1 1 388.221 2.373 20 0 GEADMM CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000737008044 599793923 /nfs/dbraw/zinc/79/39/23/599793923.db2.gz TXZQBKCNCIDKOW-MRXNPFEDSA-N -1 1 397.516 2.031 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736650749 599799512 /nfs/dbraw/zinc/79/95/12/599799512.db2.gz PICFSCMWNFQPSO-GFCCVEGCSA-N -1 1 380.404 2.038 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1cc(F)ccc1F ZINC000737578793 599814435 /nfs/dbraw/zinc/81/44/35/599814435.db2.gz ODLCIOPGODWQDT-OAHLLOKOSA-N -1 1 399.371 2.164 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723237 607400517 /nfs/dbraw/zinc/40/05/17/607400517.db2.gz NKZFBYAVKGIFPY-SMDDNHRTSA-N -1 1 388.428 2.207 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723237 607400519 /nfs/dbraw/zinc/40/05/19/607400519.db2.gz NKZFBYAVKGIFPY-SMDDNHRTSA-N -1 1 388.428 2.207 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736652335 599855026 /nfs/dbraw/zinc/85/50/26/599855026.db2.gz FAVZMQVHRQHXFP-LBPRGKRZSA-N -1 1 396.403 2.173 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737361302 599876811 /nfs/dbraw/zinc/87/68/11/599876811.db2.gz MNHNJNZGWFEEMY-GOSISDBHSA-N -1 1 383.448 2.061 20 0 GEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000476769405 599926175 /nfs/dbraw/zinc/92/61/75/599926175.db2.gz INGRQMTYISPNIU-UHFFFAOYSA-N -1 1 378.406 2.461 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000739425755 599941991 /nfs/dbraw/zinc/94/19/91/599941991.db2.gz IIFAFVDOFVAGME-QGZVFWFLSA-N -1 1 387.436 2.493 20 0 GEADMM O=C([O-])c1cccc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1O ZINC000739266522 599949080 /nfs/dbraw/zinc/94/90/80/599949080.db2.gz BQJUMWCXLGXTSR-UHFFFAOYSA-N -1 1 385.401 2.118 20 0 GEADMM O=C([O-])c1ccc(CNCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000263448923 600007728 /nfs/dbraw/zinc/00/77/28/600007728.db2.gz YXJHEXHSSAXKAT-UHFFFAOYSA-N -1 1 387.867 2.477 20 0 GEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)NC1CCN(Cc3ccccn3)CC1)C2 ZINC000740201851 600015697 /nfs/dbraw/zinc/01/56/97/600015697.db2.gz FQCSVRRPVDSKBC-UHFFFAOYSA-N -1 1 380.448 2.470 20 0 GEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000736486842 600021641 /nfs/dbraw/zinc/02/16/41/600021641.db2.gz GGAUFFCKDNXXKD-UHFFFAOYSA-N -1 1 379.457 2.092 20 0 GEADMM Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1C(=O)[O-] ZINC000738411449 600042681 /nfs/dbraw/zinc/04/26/81/600042681.db2.gz RCKRHFSYYDBOFE-QGZVFWFLSA-N -1 1 387.411 2.190 20 0 GEADMM C[C@](NC(=O)c1ccc2[nH]nnc2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736656802 600072231 /nfs/dbraw/zinc/07/22/31/600072231.db2.gz MAAPRHLJNJYNPD-MRXNPFEDSA-N -1 1 389.209 2.450 20 0 GEADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000739545970 600077507 /nfs/dbraw/zinc/07/75/07/600077507.db2.gz CYLAXKRDYBEPME-MSOLQXFVSA-N -1 1 380.448 2.063 20 0 GEADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000739555375 600081997 /nfs/dbraw/zinc/08/19/97/600081997.db2.gz YUDPJEKHANXWHA-MSOLQXFVSA-N -1 1 394.475 2.106 20 0 GEADMM O=C([O-])c1sc2ccccc2c1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000327018568 600082726 /nfs/dbraw/zinc/08/27/26/600082726.db2.gz DEUMFVMVUDMIBW-LBPRGKRZSA-N -1 1 380.491 2.458 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000738546213 600103871 /nfs/dbraw/zinc/10/38/71/600103871.db2.gz NFGGTIUSFFIDSR-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM Cc1ccc(CN(CCN(C)C)S(=O)(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000738594654 600226502 /nfs/dbraw/zinc/22/65/02/600226502.db2.gz RBVBVNGITGCMPP-UHFFFAOYSA-N -1 1 380.466 2.180 20 0 GEADMM COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737723479 600230603 /nfs/dbraw/zinc/23/06/03/600230603.db2.gz LQYBMWDLPSVCHX-UHFFFAOYSA-N -1 1 377.346 2.312 20 0 GEADMM CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737350159 600232242 /nfs/dbraw/zinc/23/22/42/600232242.db2.gz VDKDFPWZYLKXKV-UHFFFAOYSA-N -1 1 398.387 2.095 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c(OC(F)F)c1 ZINC000740155819 600237889 /nfs/dbraw/zinc/23/78/89/600237889.db2.gz VENLFXBAURREMO-UHFFFAOYSA-N -1 1 399.327 2.457 20 0 GEADMM CCOC[C@H]1CCCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000737161305 600285666 /nfs/dbraw/zinc/28/56/66/600285666.db2.gz GXHVFWURPYWMAC-HNAYVOBHSA-N -1 1 387.480 2.028 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736219150 600293406 /nfs/dbraw/zinc/29/34/06/600293406.db2.gz WXVMBJXCPYMJSH-CRAIPNDOSA-N -1 1 387.480 2.037 20 0 GEADMM COC(=O)N(C)Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000737631337 600300601 /nfs/dbraw/zinc/30/06/01/600300601.db2.gz LBRLQSOWRXCCIQ-UHFFFAOYSA-N -1 1 384.435 2.445 20 0 GEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)cc12 ZINC000738955398 600301311 /nfs/dbraw/zinc/30/13/11/600301311.db2.gz NQTJESZFPRJEDA-UHFFFAOYSA-N -1 1 376.394 2.442 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N2CCN(CC3CCCCC3)CC2)c(F)c1 ZINC000422571516 600315274 /nfs/dbraw/zinc/31/52/74/600315274.db2.gz KLRICIRREXKUJW-UHFFFAOYSA-N -1 1 391.443 2.187 20 0 GEADMM CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccco1 ZINC000737086118 600315840 /nfs/dbraw/zinc/31/58/40/600315840.db2.gz VOVQMZIZHSZQCD-OAHLLOKOSA-N -1 1 391.399 2.255 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC(CN2CCc3ccccc32)CC1)C(=O)[O-] ZINC000736878927 600336945 /nfs/dbraw/zinc/33/69/45/600336945.db2.gz OBLPSQFQWIVVMR-HRAATJIYSA-N -1 1 387.524 2.377 20 0 GEADMM CN1CCCC[C@H]1C(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000737518612 600359784 /nfs/dbraw/zinc/35/97/84/600359784.db2.gz SARVDOJEZBUFSO-DLBZAZTESA-N -1 1 379.888 2.094 20 0 GEADMM CCC[C@@](C)(NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000736959595 600462376 /nfs/dbraw/zinc/46/23/76/600462376.db2.gz HMMKTBITWAFUTQ-LJQANCHMSA-N -1 1 381.904 2.217 20 0 GEADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)ccc1O ZINC000822207558 607446600 /nfs/dbraw/zinc/44/66/00/607446600.db2.gz ZSFYLAONSWVFPC-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)ccc1O ZINC000822207558 607446601 /nfs/dbraw/zinc/44/66/01/607446601.db2.gz ZSFYLAONSWVFPC-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738231338 600491125 /nfs/dbraw/zinc/49/11/25/600491125.db2.gz YFEXIXJSYJCKOC-UHFFFAOYSA-N -1 1 379.376 2.135 20 0 GEADMM C[C@H](CN(Cc1ccccc1)C(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC000736584939 600492466 /nfs/dbraw/zinc/49/24/66/600492466.db2.gz QQPBKVFNSHCJNO-QGZVFWFLSA-N -1 1 396.491 2.197 20 0 GEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000736716664 600511760 /nfs/dbraw/zinc/51/17/60/600511760.db2.gz IHUZQIJLXLUADM-ZFWWWQNUSA-N -1 1 384.423 2.440 20 0 GEADMM CN(Cc1c(F)cccc1Cl)C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000737454596 600512917 /nfs/dbraw/zinc/51/29/17/600512917.db2.gz WCSYXZLMQGZWLX-CYBMUJFWSA-N -1 1 386.851 2.393 20 0 GEADMM CN(Cc1c(F)cccc1Cl)C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000737454598 600513158 /nfs/dbraw/zinc/51/31/58/600513158.db2.gz WCSYXZLMQGZWLX-ZDUSSCGKSA-N -1 1 386.851 2.393 20 0 GEADMM C[C@@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661848 600522305 /nfs/dbraw/zinc/52/23/05/600522305.db2.gz ITTOBEJNZBFLPJ-ZIAGYGMSSA-N -1 1 395.459 2.259 20 0 GEADMM COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000066585927 600544123 /nfs/dbraw/zinc/54/41/23/600544123.db2.gz ODXZJFVAQFPAQR-UHFFFAOYSA-N -1 1 399.396 2.359 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC(C(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000736813261 600560019 /nfs/dbraw/zinc/56/00/19/600560019.db2.gz CWSOBUWQIBHFIF-IYBDPMFKSA-N -1 1 389.496 2.302 20 0 GEADMM CC[C@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)C(=O)[O-] ZINC000736862566 600561722 /nfs/dbraw/zinc/56/17/22/600561722.db2.gz CZRHLEAEBSFBHL-MGNBDDOMSA-N -1 1 382.482 2.441 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@@H](C)OC[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549024 607454373 /nfs/dbraw/zinc/45/43/73/607454373.db2.gz RZPXDZMATPYRAN-WBMJQRKESA-N -1 1 396.451 2.477 20 0 GEADMM Cc1oc(NC(=O)CN2CCOC[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549368 607455375 /nfs/dbraw/zinc/45/53/75/607455375.db2.gz XQKLBQRHIMUTCC-HNNXBMFYSA-N -1 1 382.424 2.089 20 0 GEADMM CCOC(=O)C1C(CSC[C@@H](C)C(=O)[O-])=NC(=O)N[C@@H]1c1ccccc1 ZINC000737133545 600604659 /nfs/dbraw/zinc/60/46/59/600604659.db2.gz GWJWJHAZGKFFAW-IAQYHMDHSA-N -1 1 378.450 2.312 20 0 GEADMM O=C([O-])CCCc1nnc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)s1 ZINC000739708037 600630956 /nfs/dbraw/zinc/63/09/56/600630956.db2.gz LNSVLDWLKXPEKS-UHFFFAOYSA-N -1 1 387.425 2.052 20 0 GEADMM O=C([O-])CCCc1nnc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)s1 ZINC000739708037 600630958 /nfs/dbraw/zinc/63/09/58/600630958.db2.gz LNSVLDWLKXPEKS-UHFFFAOYSA-N -1 1 387.425 2.052 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cccnc2N2CCCC2)cc1C(=O)[O-] ZINC000738069998 600659281 /nfs/dbraw/zinc/65/92/81/600659281.db2.gz VSWYOHKVDZAQLP-UHFFFAOYSA-N -1 1 377.422 2.189 20 0 GEADMM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000833334304 600670947 /nfs/dbraw/zinc/67/09/47/600670947.db2.gz DWRBUCOVBCRVIK-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM COCCn1ncc2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cc21 ZINC000623084864 600677375 /nfs/dbraw/zinc/67/73/75/600677375.db2.gz HKJXEXYGINDAIJ-UHFFFAOYSA-N -1 1 381.435 2.243 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000299614781 600677574 /nfs/dbraw/zinc/67/75/74/600677574.db2.gz PCIYBZBEBYBHNE-LBPRGKRZSA-N -1 1 380.422 2.380 20 0 GEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000831434923 600689431 /nfs/dbraw/zinc/68/94/31/600689431.db2.gz KYCRDPMWIWQVET-UHFFFAOYSA-N -1 1 377.374 2.175 20 0 GEADMM O=C([O-])c1cccc(-c2noc(CNC(=O)c3c[nH]c4ccccc4c3=O)n2)c1 ZINC000833328046 600694857 /nfs/dbraw/zinc/69/48/57/600694857.db2.gz SBRRBFJFGMEKFO-UHFFFAOYSA-N -1 1 390.355 2.206 20 0 GEADMM CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000830608567 600718976 /nfs/dbraw/zinc/71/89/76/600718976.db2.gz CZFCHKLYYLPMNS-UHFFFAOYSA-N -1 1 386.470 2.338 20 0 GEADMM CC(C)C1CCC2(CC1)NC(=O)N(CN(CCC(=O)[O-])C1CCOCC1)C2=O ZINC000826726860 600719467 /nfs/dbraw/zinc/71/94/67/600719467.db2.gz FXFADLDKTDIVGU-UHFFFAOYSA-N -1 1 395.500 2.036 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c[nH]1 ZINC000379601970 600726295 /nfs/dbraw/zinc/72/62/95/600726295.db2.gz CIPNGVYIBHFOKY-HNNXBMFYSA-N -1 1 377.466 2.046 20 0 GEADMM Cc1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000237845572 600769655 /nfs/dbraw/zinc/76/96/55/600769655.db2.gz KOTWWAZYSAQWNI-UHFFFAOYSA-N -1 1 388.489 2.420 20 0 GEADMM Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CCN(C)C)cc1C(=O)[O-] ZINC000832954081 600771336 /nfs/dbraw/zinc/77/13/36/600771336.db2.gz MMKUWGAGNVRLDA-UHFFFAOYSA-N -1 1 390.505 2.488 20 0 GEADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000830857145 600786474 /nfs/dbraw/zinc/78/64/74/600786474.db2.gz UZZBARUMTSXONU-SFHVURJKSA-N -1 1 388.489 2.421 20 0 GEADMM CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000829413509 600808623 /nfs/dbraw/zinc/80/86/23/600808623.db2.gz SNPGEKBZVYWSKU-UHFFFAOYSA-N -1 1 380.422 2.481 20 0 GEADMM CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000728509599 600814575 /nfs/dbraw/zinc/81/45/75/600814575.db2.gz PNASEXCOUGVEBG-UHFFFAOYSA-N -1 1 383.451 2.298 20 0 GEADMM CN(CCCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830773103 600822913 /nfs/dbraw/zinc/82/29/13/600822913.db2.gz QVRIRHUXPAAFJA-CYBMUJFWSA-N -1 1 397.497 2.398 20 0 GEADMM O=C(CN1CCN2CCCC[C@H]2C1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833108717 600827392 /nfs/dbraw/zinc/82/73/92/600827392.db2.gz VTFPLDBERXSPGW-ZDUSSCGKSA-N -1 1 377.510 2.434 20 0 GEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000831917715 600848526 /nfs/dbraw/zinc/84/85/26/600848526.db2.gz IXSKABKWFZXUPX-ZDUSSCGKSA-N -1 1 377.359 2.407 20 0 GEADMM CCc1cc(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n[nH]1 ZINC000737897546 600856818 /nfs/dbraw/zinc/85/68/18/600856818.db2.gz WANOPCALNIMOBV-UHFFFAOYSA-N -1 1 378.454 2.284 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000830581106 600864418 /nfs/dbraw/zinc/86/44/18/600864418.db2.gz LREOQMZEBCPUNW-GOSISDBHSA-N -1 1 397.475 2.406 20 0 GEADMM O=C([O-])c1ccsc1NC(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000833162387 600874893 /nfs/dbraw/zinc/87/48/93/600874893.db2.gz KDMGNINQAZHZBQ-UHFFFAOYSA-N -1 1 387.461 2.119 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)cc1C ZINC000737701652 600889224 /nfs/dbraw/zinc/88/92/24/600889224.db2.gz FZXVFUDCKFKAEA-UHFFFAOYSA-N -1 1 379.390 2.046 20 0 GEADMM Cc1cc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)ccc1C(=O)[O-] ZINC000738478431 600892173 /nfs/dbraw/zinc/89/21/73/600892173.db2.gz QNVHGKUEOUUIKC-UHFFFAOYSA-N -1 1 376.390 2.451 20 0 GEADMM C[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000736663466 600904720 /nfs/dbraw/zinc/90/47/20/600904720.db2.gz ZAJDRYVMQNWDCZ-LBPRGKRZSA-N -1 1 376.434 2.078 20 0 GEADMM C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000736662686 600905636 /nfs/dbraw/zinc/90/56/36/600905636.db2.gz RQQKKCMZBSMZFG-GFCCVEGCSA-N -1 1 376.434 2.078 20 0 GEADMM CCc1nnc([C@@H]2CN(C(=O)c3ccccc3S[C@@H](C)C(=O)[O-])CCO2)[nH]1 ZINC000830304285 600920474 /nfs/dbraw/zinc/92/04/74/600920474.db2.gz IDFJPSJCKJSCQN-AAEUAGOBSA-N -1 1 390.465 2.146 20 0 GEADMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cccnc2N2CCOCC2)c1 ZINC000833297016 600979812 /nfs/dbraw/zinc/97/98/12/600979812.db2.gz GTJDNMIDXKDGTG-UHFFFAOYSA-N -1 1 397.840 2.071 20 0 GEADMM O=C([O-])CCNC(=O)CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000739734251 600987305 /nfs/dbraw/zinc/98/73/05/600987305.db2.gz YTGVISHKNPEYOC-UHFFFAOYSA-N -1 1 375.237 2.462 20 0 GEADMM COc1cc(C(=O)[O-])cc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000831904454 601076749 /nfs/dbraw/zinc/07/67/49/601076749.db2.gz XCFJYCSYYYVIIG-BETUJISGSA-N -1 1 395.456 2.023 20 0 GEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630224132 601091361 /nfs/dbraw/zinc/09/13/61/601091361.db2.gz NYSCTCKYYCWJAR-CHWSQXEVSA-N -1 1 388.386 2.480 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000630221994 601092623 /nfs/dbraw/zinc/09/26/23/601092623.db2.gz BOPGTJIULIKGRR-MRXNPFEDSA-N -1 1 382.464 2.471 20 0 GEADMM Cc1ccc(C)n1-c1nc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cs1 ZINC000832925623 601098458 /nfs/dbraw/zinc/09/84/58/601098458.db2.gz RDEPGJXOYDJHJJ-HNNXBMFYSA-N -1 1 390.509 2.101 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1CC(F)(F)F ZINC000630222117 601098864 /nfs/dbraw/zinc/09/88/64/601098864.db2.gz CUFLLUYVNHTUGK-NSHDSACASA-N -1 1 375.391 2.288 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000630221621 601101878 /nfs/dbraw/zinc/10/18/78/601101878.db2.gz ASRACNPZUYBCSX-LLVKDONJSA-N -1 1 375.252 2.380 20 0 GEADMM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739813512 601115960 /nfs/dbraw/zinc/11/59/60/601115960.db2.gz USJCHBPQUIGOLB-IBGZPJMESA-N -1 1 395.459 2.494 20 0 GEADMM CC(C)C(=O)Nc1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000826658154 601127228 /nfs/dbraw/zinc/12/72/28/601127228.db2.gz JKLZAAGQPHEJMW-AWEZNQCLSA-N -1 1 376.457 2.294 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(N3CCCCC3=O)c2)CC1 ZINC000827368716 601127475 /nfs/dbraw/zinc/12/74/75/601127475.db2.gz IDXHKABZSVBKDK-HNNXBMFYSA-N -1 1 388.468 2.216 20 0 GEADMM CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000825902813 601130246 /nfs/dbraw/zinc/13/02/46/601130246.db2.gz FBFHXBNEFPSLID-LLVKDONJSA-N -1 1 382.848 2.311 20 0 GEADMM COCCCOc1ccccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000831705600 601131044 /nfs/dbraw/zinc/13/10/44/601131044.db2.gz VMHGEVFLCFHXEE-OAHLLOKOSA-N -1 1 379.457 2.115 20 0 GEADMM COCCOc1c(Cl)cccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831768152 601132079 /nfs/dbraw/zinc/13/20/79/601132079.db2.gz XMMRFIAFNRIDBU-ZDUSSCGKSA-N -1 1 399.875 2.378 20 0 GEADMM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000831577051 601134113 /nfs/dbraw/zinc/13/41/13/601134113.db2.gz ANAXFRUJOZWUGG-KRWDZBQOSA-N -1 1 399.419 2.496 20 0 GEADMM COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)N(C)C)c1 ZINC000832532561 601156932 /nfs/dbraw/zinc/15/69/32/601156932.db2.gz CTSNYIKPCHKKOF-GOSISDBHSA-N -1 1 399.447 2.059 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)N(C)C)cc1 ZINC000832921460 601163117 /nfs/dbraw/zinc/16/31/17/601163117.db2.gz KZHQANYLJUWWIW-GOSISDBHSA-N -1 1 383.448 2.359 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2[nH]c1=S ZINC000833039929 601185800 /nfs/dbraw/zinc/18/58/00/601185800.db2.gz VVZOUWMWZOUGGO-UHFFFAOYSA-N -1 1 375.450 2.130 20 0 GEADMM O=C([O-])CCc1nc(COC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)no1 ZINC000833242629 601189251 /nfs/dbraw/zinc/18/92/51/601189251.db2.gz VEKAMXRQRDUBNI-UHFFFAOYSA-N -1 1 383.364 2.106 20 0 GEADMM Cc1nc([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccc3OC(C)C)CCO2)n[nH]1 ZINC000832991093 601198214 /nfs/dbraw/zinc/19/82/14/601198214.db2.gz KHAWMKLJZCQSKH-HNNXBMFYSA-N -1 1 389.412 2.204 20 0 GEADMM Cc1oc(S(=O)(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000833026145 601217930 /nfs/dbraw/zinc/21/79/30/601217930.db2.gz AIHFHHDNZDNCHP-UHFFFAOYSA-N -1 1 384.429 2.178 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000831939203 601217983 /nfs/dbraw/zinc/21/79/83/601217983.db2.gz FJLSAAUKSQSBOH-UHFFFAOYSA-N -1 1 381.435 2.118 20 0 GEADMM CC[C@@](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)(C(=O)OC)c1ccccc1 ZINC000828988962 601220579 /nfs/dbraw/zinc/22/05/79/601220579.db2.gz LGKJNYZMYGOLGA-KRWDZBQOSA-N -1 1 381.406 2.043 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c(Cl)cc1Cl ZINC000761288626 601240605 /nfs/dbraw/zinc/24/06/05/601240605.db2.gz BSMGFTHUKGJALH-JTQLQIEISA-N -1 1 393.292 2.454 20 0 GEADMM CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)[C@@H](C)C1 ZINC000829754201 601255757 /nfs/dbraw/zinc/25/57/57/601255757.db2.gz UYUCILVYYVLVJG-UFBFGSQYSA-N -1 1 381.281 2.310 20 0 GEADMM O=C([O-])Cc1csc(NC(=O)NCC2(CN3CCOCC3)CCCCC2)n1 ZINC000833269215 601267259 /nfs/dbraw/zinc/26/72/59/601267259.db2.gz LUXQPABRSOMOLH-UHFFFAOYSA-N -1 1 396.513 2.174 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)n[nH]2)cc1OC ZINC000832112749 601287655 /nfs/dbraw/zinc/28/76/55/601287655.db2.gz YGQHZKNUKUMDER-ZDUSSCGKSA-N -1 1 385.420 2.421 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000827356779 601291297 /nfs/dbraw/zinc/29/12/97/601291297.db2.gz TXOXYWJAYJAUAQ-LPHOPBHVSA-N -1 1 391.487 2.188 20 0 GEADMM CCC1CCC(NC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)(C(=O)[O-])CC1 ZINC000829089623 601296281 /nfs/dbraw/zinc/29/62/81/601296281.db2.gz JQNWRWBYCCOHLH-UHFFFAOYSA-N -1 1 399.451 2.030 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000547545650 601318500 /nfs/dbraw/zinc/31/85/00/601318500.db2.gz RZRNFLKOFCENNZ-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000826005460 601326651 /nfs/dbraw/zinc/32/66/51/601326651.db2.gz XKWBCOMMDASJDR-BEFAXECRSA-N -1 1 390.480 2.050 20 0 GEADMM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831331462 601327966 /nfs/dbraw/zinc/32/79/66/601327966.db2.gz QULCVQPZMMYBIH-YHYXMXQVSA-N -1 1 391.401 2.380 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCN1C[C@@H](C)O ZINC000829139992 601332580 /nfs/dbraw/zinc/33/25/80/601332580.db2.gz BLRULSZMDNVONA-GDBMZVCRSA-N -1 1 393.484 2.481 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000827386242 601338833 /nfs/dbraw/zinc/33/88/33/601338833.db2.gz RDSZJJBZJQOCTO-SNVBAGLBSA-N -1 1 387.408 2.186 20 0 GEADMM CC(C)(CO)N1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000826616744 601354367 /nfs/dbraw/zinc/35/43/67/601354367.db2.gz ZSFYUCLRELACQF-UHFFFAOYSA-N -1 1 375.494 2.397 20 0 GEADMM COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000831124033 601358855 /nfs/dbraw/zinc/35/88/55/601358855.db2.gz KRJLRKRSCDYKEK-YVMONPNESA-N -1 1 382.419 2.137 20 0 GEADMM CN1CCN(c2cc(-c3nc(COc4cccc(C(=O)[O-])c4)no3)ccn2)CC1 ZINC000830960020 601364498 /nfs/dbraw/zinc/36/44/98/601364498.db2.gz DOJQPUROMDRBPX-UHFFFAOYSA-N -1 1 395.419 2.161 20 0 GEADMM COc1cc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1NC(C)=O ZINC000832030432 601383804 /nfs/dbraw/zinc/38/38/04/601383804.db2.gz OUCKGZPWBDWBDA-UHFFFAOYSA-N -1 1 399.812 2.201 20 0 GEADMM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1(N2CCOCC2)CCCC1 ZINC000827635822 601439572 /nfs/dbraw/zinc/43/95/72/601439572.db2.gz HJHCWFMJYVRWCK-INIZCTEOSA-N -1 1 399.491 2.489 20 0 GEADMM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000830379290 601464910 /nfs/dbraw/zinc/46/49/10/601464910.db2.gz QGVLTDABGQTUKH-JTQLQIEISA-N -1 1 385.376 2.278 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826472322 607512047 /nfs/dbraw/zinc/51/20/47/607512047.db2.gz GXJKMAZYKKABIZ-WBVHZDCISA-N -1 1 382.399 2.129 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826472322 607512048 /nfs/dbraw/zinc/51/20/48/607512048.db2.gz GXJKMAZYKKABIZ-WBVHZDCISA-N -1 1 382.399 2.129 20 0 GEADMM O=C([O-])Cc1ccccc1NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000833268331 601467994 /nfs/dbraw/zinc/46/79/94/601467994.db2.gz IVPNNWXSRAXCIG-LJQANCHMSA-N -1 1 395.459 2.206 20 0 GEADMM CN1CCC[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000830928095 601517417 /nfs/dbraw/zinc/51/74/17/601517417.db2.gz HDPADZKGSVWXBJ-CJNGLKHVSA-N -1 1 386.539 2.305 20 0 GEADMM COc1cc(-c2noc(CN3C[C@H](C(=O)[O-])[C@H](C)C3)n2)ccc1OC(F)F ZINC000831856265 601522829 /nfs/dbraw/zinc/52/28/29/601522829.db2.gz ANDGOSJZHPNMRM-KOLCDFICSA-N -1 1 383.351 2.499 20 0 GEADMM COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)cc1C(=O)[O-] ZINC000273773269 601524390 /nfs/dbraw/zinc/52/43/90/601524390.db2.gz XWKZFGHQNZXFLF-UHFFFAOYSA-N -1 1 398.506 2.207 20 0 GEADMM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832962031 601566138 /nfs/dbraw/zinc/56/61/38/601566138.db2.gz OPCYMQSENCTCNX-TZMCWYRMSA-N -1 1 393.490 2.146 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000827508257 601577201 /nfs/dbraw/zinc/57/72/01/601577201.db2.gz VPAUTMVTFSVFFU-LBPRGKRZSA-N -1 1 398.431 2.462 20 0 GEADMM CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000830608974 601596385 /nfs/dbraw/zinc/59/63/85/601596385.db2.gz NUOQUWBDLSBCJS-UHFFFAOYSA-N -1 1 386.857 2.384 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)N2CCCC2)cc1 ZINC000832240755 601637280 /nfs/dbraw/zinc/63/72/80/601637280.db2.gz HIYKKXGOSCLQQW-JLSDUUJJSA-N -1 1 375.469 2.194 20 0 GEADMM COC(=O)[C@@H](C)[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000831059406 601656847 /nfs/dbraw/zinc/65/68/47/601656847.db2.gz HCISCROUXSUJGK-WMLDXEAASA-N -1 1 376.453 2.030 20 0 GEADMM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000833030994 601728044 /nfs/dbraw/zinc/72/80/44/601728044.db2.gz DSFSUBYEUHYHHZ-SECBINFHSA-N -1 1 387.417 2.493 20 0 GEADMM Cc1ncc(Cl)c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)n1 ZINC000833008727 601740688 /nfs/dbraw/zinc/74/06/88/601740688.db2.gz ROCUXQBRQFNLSF-IBGZPJMESA-N -1 1 388.855 2.288 20 0 GEADMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)[O-] ZINC000485865876 601752796 /nfs/dbraw/zinc/75/27/96/601752796.db2.gz WHNOPHNJKDJFMF-CQSZACIVSA-N -1 1 392.433 2.089 20 0 GEADMM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1C ZINC000489751919 601782810 /nfs/dbraw/zinc/78/28/10/601782810.db2.gz IVPZMBUICVHGFB-UHFFFAOYSA-N -1 1 386.813 2.354 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828448810 601813862 /nfs/dbraw/zinc/81/38/62/601813862.db2.gz GYFKIHFXDPPIDC-FQWGINHLSA-N -1 1 387.480 2.361 20 0 GEADMM CC(C)[C@@H](NC(=O)CN[C@H](C(=O)[O-])C(C)C)c1ccc2c(c1)OCCCO2 ZINC000826694263 601825395 /nfs/dbraw/zinc/82/53/95/601825395.db2.gz QWCHZPJXCGMARR-MOPGFXCFSA-N -1 1 378.469 2.360 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2cncn2)cc(F)c1F ZINC000751147250 601833048 /nfs/dbraw/zinc/83/30/48/601833048.db2.gz SLPASYNNQGXIAP-UHFFFAOYSA-N -1 1 380.332 2.045 20 0 GEADMM O=C([O-])CCC1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000662217085 601841453 /nfs/dbraw/zinc/84/14/53/601841453.db2.gz DKBYGWHGKARAPU-UHFFFAOYSA-N -1 1 388.508 2.428 20 0 GEADMM Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832904826 601863023 /nfs/dbraw/zinc/86/30/23/601863023.db2.gz ARWIQGOFJCVCLL-UHFFFAOYSA-N -1 1 387.410 2.037 20 0 GEADMM COCc1ccccc1CNC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739847620 601927164 /nfs/dbraw/zinc/92/71/64/601927164.db2.gz WDZWMJIAOLGESP-MOPGFXCFSA-N -1 1 389.496 2.446 20 0 GEADMM COCc1ccc(CNC(=O)CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000739842650 601927292 /nfs/dbraw/zinc/92/72/92/601927292.db2.gz GQIZTJUGJCZGIO-OALUTQOASA-N -1 1 389.496 2.446 20 0 GEADMM O=C(CN(C1CC1)C1CCN(C(=O)[O-])CC1)Nc1ccc2c(c1)OCCO2 ZINC000740367267 601935451 /nfs/dbraw/zinc/93/54/51/601935451.db2.gz OWVIKUYCKYTRPX-UHFFFAOYSA-N -1 1 375.425 2.003 20 0 GEADMM CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000739496561 601939086 /nfs/dbraw/zinc/93/90/86/601939086.db2.gz HUVRTDICIUBFPD-YJBOKZPZSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])NC[C@H]1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000740643171 601940463 /nfs/dbraw/zinc/94/04/63/601940463.db2.gz NSAAQOOPADAWHS-SECBINFHSA-N -1 1 385.346 2.110 20 0 GEADMM C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263184650 601943872 /nfs/dbraw/zinc/94/38/72/601943872.db2.gz RYDMBHUBQGDFPU-BMLIUANNSA-N -1 1 399.369 2.176 20 0 GEADMM O=S(=O)(Cc1coc(-c2cccs2)n1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486896 607536831 /nfs/dbraw/zinc/53/68/31/607536831.db2.gz WGFFBEUWBKUHFA-UHFFFAOYSA-N -1 1 388.434 2.093 20 0 GEADMM O=S(=O)(Cc1coc(-c2cccs2)n1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486896 607536833 /nfs/dbraw/zinc/53/68/33/607536833.db2.gz WGFFBEUWBKUHFA-UHFFFAOYSA-N -1 1 388.434 2.093 20 0 GEADMM C[C@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000827497591 602011977 /nfs/dbraw/zinc/01/19/77/602011977.db2.gz QZWLJUPGGGXQEU-LLVKDONJSA-N -1 1 388.390 2.161 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)N2CCC(CNC(=O)[O-])CC2)N2CCCC2)o1 ZINC000740119888 602021363 /nfs/dbraw/zinc/02/13/63/602021363.db2.gz ZYSIDZYXLNCNIJ-MRXNPFEDSA-N -1 1 378.473 2.414 20 0 GEADMM CCOC(=O)C1(N(C)CCCN2C(=O)CS/C2=C\C(=O)[O-])CCCCC1 ZINC000829827982 602054574 /nfs/dbraw/zinc/05/45/74/602054574.db2.gz WFEMARNZTLTWOM-QINSGFPZSA-N -1 1 384.498 2.076 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000828457616 602058724 /nfs/dbraw/zinc/05/87/24/602058724.db2.gz VIGBKRBAGLECKD-ZOCZFRKYSA-N -1 1 389.496 2.302 20 0 GEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739642150 602061873 /nfs/dbraw/zinc/06/18/73/602061873.db2.gz MXEBPZILXGIFFT-WMLDXEAASA-N -1 1 380.464 2.460 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cn1 ZINC000740703264 602085931 /nfs/dbraw/zinc/08/59/31/602085931.db2.gz IWSIBJIESUPZTB-INIZCTEOSA-N -1 1 397.435 2.063 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000738620234 602117349 /nfs/dbraw/zinc/11/73/49/602117349.db2.gz KRSRFIFHQDJCQL-IBGZPJMESA-N -1 1 395.459 2.206 20 0 GEADMM CN1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])cc2)CC1 ZINC000739737263 602157541 /nfs/dbraw/zinc/15/75/41/602157541.db2.gz WNXMFWRPJLUGCG-IBGZPJMESA-N -1 1 382.464 2.256 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc2)C[C@@H](C)O1 ZINC000824977954 607548277 /nfs/dbraw/zinc/54/82/77/607548277.db2.gz TWZAXNMXVFJIEK-ZIAGYGMSSA-N -1 1 393.451 2.123 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc2)C[C@@H](C)O1 ZINC000824977954 607548279 /nfs/dbraw/zinc/54/82/79/607548279.db2.gz TWZAXNMXVFJIEK-ZIAGYGMSSA-N -1 1 393.451 2.123 20 0 GEADMM CCC(CC)[C@H](CNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)N(C)C ZINC000828854357 602219751 /nfs/dbraw/zinc/21/97/51/602219751.db2.gz ADTIIEGYUHJJNW-INIZCTEOSA-N -1 1 399.513 2.276 20 0 GEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000832849261 602253831 /nfs/dbraw/zinc/25/38/31/602253831.db2.gz WNZLLCLJHYTRGS-UHFFFAOYSA-N -1 1 391.327 2.091 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc1F ZINC000739909813 602264756 /nfs/dbraw/zinc/26/47/56/602264756.db2.gz RREXHQJFSIWFSJ-BBRMVZONSA-N -1 1 381.448 2.303 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000739521169 602314059 /nfs/dbraw/zinc/31/40/59/602314059.db2.gz NXNVTLKAGYWZTJ-INIZCTEOSA-N -1 1 392.500 2.176 20 0 GEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000826039130 602323217 /nfs/dbraw/zinc/32/32/17/602323217.db2.gz NGIQZINBAPCTAA-SJCJKPOMSA-N -1 1 397.456 2.263 20 0 GEADMM CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000312522617 602327372 /nfs/dbraw/zinc/32/73/72/602327372.db2.gz OTSFHIFMKTTXMO-IBGZPJMESA-N -1 1 388.489 2.421 20 0 GEADMM CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000312522617 602327376 /nfs/dbraw/zinc/32/73/76/602327376.db2.gz OTSFHIFMKTTXMO-IBGZPJMESA-N -1 1 388.489 2.421 20 0 GEADMM CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000380808101 602327506 /nfs/dbraw/zinc/32/75/06/602327506.db2.gz ZUTZJKHOABLWTL-SFHVURJKSA-N -1 1 388.489 2.209 20 0 GEADMM CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000380808101 602327509 /nfs/dbraw/zinc/32/75/09/602327509.db2.gz ZUTZJKHOABLWTL-SFHVURJKSA-N -1 1 388.489 2.209 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739186025 602499109 /nfs/dbraw/zinc/49/91/09/602499109.db2.gz CPMADVYNSIWUTH-MDZRGWNJSA-N -1 1 389.496 2.445 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738630115 602530427 /nfs/dbraw/zinc/53/04/27/602530427.db2.gz JMTZBOGLZIEUDS-GJZGRUSLSA-N -1 1 388.468 2.072 20 0 GEADMM COc1ccc([C@@H](NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739896204 602532398 /nfs/dbraw/zinc/53/23/98/602532398.db2.gz ZIQALMCBMQTRRJ-KUHUBIRLSA-N -1 1 375.469 2.194 20 0 GEADMM COc1ccc([C@H](NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739896203 602532618 /nfs/dbraw/zinc/53/26/18/602532618.db2.gz ZIQALMCBMQTRRJ-IFXJQAMLSA-N -1 1 375.469 2.194 20 0 GEADMM CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739658803 602540268 /nfs/dbraw/zinc/54/02/68/602540268.db2.gz HIKDKIJKLVRHIR-ZDUSSCGKSA-N -1 1 398.301 2.339 20 0 GEADMM C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824407230 607572925 /nfs/dbraw/zinc/57/29/25/607572925.db2.gz VUGLJRSOJLLKJY-GFCCVEGCSA-N -1 1 375.429 2.305 20 0 GEADMM COc1ccc(C=O)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826190999 607573743 /nfs/dbraw/zinc/57/37/43/607573743.db2.gz UAISUXGHPXMQKJ-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM COc1ccc(C=O)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826190999 607573745 /nfs/dbraw/zinc/57/37/45/607573745.db2.gz UAISUXGHPXMQKJ-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000740692174 602568566 /nfs/dbraw/zinc/56/85/66/602568566.db2.gz WIPJJGSLTRMEMC-LJQANCHMSA-N -1 1 382.464 2.041 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740081273 602595104 /nfs/dbraw/zinc/59/51/04/602595104.db2.gz VSZQTXADSJKLCG-INIZCTEOSA-N -1 1 375.473 2.011 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])N2CCCC2)cc1 ZINC000739895447 602611251 /nfs/dbraw/zinc/61/12/51/602611251.db2.gz JUPXXJAURUVBJH-WMLDXEAASA-N -1 1 378.473 2.130 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000739961621 602611461 /nfs/dbraw/zinc/61/14/61/602611461.db2.gz IFQBBVKNEVIMSP-WBVHZDCISA-N -1 1 390.484 2.274 20 0 GEADMM CN(CCCNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)C(=O)[O-] ZINC000739670822 602618497 /nfs/dbraw/zinc/61/84/97/602618497.db2.gz UBIIAGLFKHVVOJ-UHFFFAOYSA-N -1 1 386.456 2.361 20 0 GEADMM CC(=O)Nc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000824005185 607576375 /nfs/dbraw/zinc/57/63/75/607576375.db2.gz MNLHFDKVXVXWEV-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])c2C1 ZINC000738766020 602643986 /nfs/dbraw/zinc/64/39/86/602643986.db2.gz KLTPDQXVLGFXKX-KGLIPLIRSA-N -1 1 390.484 2.100 20 0 GEADMM C[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738979127 602668732 /nfs/dbraw/zinc/66/87/32/602668732.db2.gz MOLQDBRIKCODDB-YPMHNXCESA-N -1 1 390.419 2.189 20 0 GEADMM C[C@@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738979127 602668734 /nfs/dbraw/zinc/66/87/34/602668734.db2.gz MOLQDBRIKCODDB-YPMHNXCESA-N -1 1 390.419 2.189 20 0 GEADMM NC(=O)c1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)o1 ZINC000826393048 607580300 /nfs/dbraw/zinc/58/03/00/607580300.db2.gz ZKOQGVQLFHHOEK-UHFFFAOYSA-N -1 1 394.416 2.217 20 0 GEADMM Cc1cccc(OCCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826300480 607580332 /nfs/dbraw/zinc/58/03/32/607580332.db2.gz WMOORIQPMNQCGZ-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc(N3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826304380 607581104 /nfs/dbraw/zinc/58/11/04/607581104.db2.gz JGZUUCCUJDKRMS-UHFFFAOYSA-N -1 1 399.432 2.070 20 0 GEADMM CCc1nn(C)c(Cl)c1CN1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739560794 602706380 /nfs/dbraw/zinc/70/63/80/602706380.db2.gz UFJAZQVDMJFTOE-CQSZACIVSA-N -1 1 383.924 2.144 20 0 GEADMM O=S(=O)(NCCCSc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490895 607578001 /nfs/dbraw/zinc/57/80/01/607578001.db2.gz LJZLTLGQRGCXIB-UHFFFAOYSA-N -1 1 393.469 2.467 20 0 GEADMM O=S(=O)(NCCCSc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490895 607578003 /nfs/dbraw/zinc/57/80/03/607578003.db2.gz LJZLTLGQRGCXIB-UHFFFAOYSA-N -1 1 393.469 2.467 20 0 GEADMM CCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825631646 607581817 /nfs/dbraw/zinc/58/18/17/607581817.db2.gz FKDKUOLSQICEQF-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM CCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825631646 607581818 /nfs/dbraw/zinc/58/18/18/607581818.db2.gz FKDKUOLSQICEQF-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488770 607582983 /nfs/dbraw/zinc/58/29/83/607582983.db2.gz YSFSBLIAWWWFFG-RKDXNWHRSA-N -1 1 393.366 2.405 20 0 GEADMM O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488770 607582984 /nfs/dbraw/zinc/58/29/84/607582984.db2.gz YSFSBLIAWWWFFG-RKDXNWHRSA-N -1 1 393.366 2.405 20 0 GEADMM C[C@@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739177904 602764664 /nfs/dbraw/zinc/76/46/64/602764664.db2.gz XEJUEIBXPSJELA-IUODEOHRSA-N -1 1 385.411 2.224 20 0 GEADMM CC(C)Oc1ccc(CCNC(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738867889 602784830 /nfs/dbraw/zinc/78/48/30/602784830.db2.gz XSGLGFSZELUMTL-MAUKXSAKSA-N -1 1 377.485 2.111 20 0 GEADMM C[C@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738977293 602833921 /nfs/dbraw/zinc/83/39/21/602833921.db2.gz JSBPITQKXWCRND-ZFWWWQNUSA-N -1 1 380.464 2.465 20 0 GEADMM CCN(CC)[C@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])c1ccccc1Cl ZINC000739405825 602835149 /nfs/dbraw/zinc/83/51/49/602835149.db2.gz DSHVHOSVYVVOOE-HZPDHXFCSA-N -1 1 383.876 2.218 20 0 GEADMM COc1cccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826216407 607590335 /nfs/dbraw/zinc/59/03/35/607590335.db2.gz XLHHFQDMAKPAFA-UHFFFAOYSA-N -1 1 393.856 2.050 20 0 GEADMM COc1cccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826216407 607590337 /nfs/dbraw/zinc/59/03/37/607590337.db2.gz XLHHFQDMAKPAFA-UHFFFAOYSA-N -1 1 393.856 2.050 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)CC1 ZINC000739458750 602883057 /nfs/dbraw/zinc/88/30/57/602883057.db2.gz WVHNCPLOVMIFBT-HZPDHXFCSA-N -1 1 389.500 2.433 20 0 GEADMM CCn1c2ccccc2nc1SCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825797187 607594650 /nfs/dbraw/zinc/59/46/50/607594650.db2.gz XVIHAWFKSYGOFE-UHFFFAOYSA-N -1 1 395.448 2.467 20 0 GEADMM CCn1c2ccccc2nc1SCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825797187 607594652 /nfs/dbraw/zinc/59/46/52/607594652.db2.gz XVIHAWFKSYGOFE-UHFFFAOYSA-N -1 1 395.448 2.467 20 0 GEADMM C[C@@H](Cc1ccccc1F)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824457454 607594668 /nfs/dbraw/zinc/59/46/68/607594668.db2.gz MZXCLHUCOKMEKT-JTQLQIEISA-N -1 1 379.392 2.054 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Br)ccc1O ZINC000826467168 607596590 /nfs/dbraw/zinc/59/65/90/607596590.db2.gz JZOYCTDQJPOXKF-UHFFFAOYSA-N -1 1 376.170 2.087 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Br)ccc1O ZINC000826467168 607596591 /nfs/dbraw/zinc/59/65/91/607596591.db2.gz JZOYCTDQJPOXKF-UHFFFAOYSA-N -1 1 376.170 2.087 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CC1 ZINC000824428553 607596658 /nfs/dbraw/zinc/59/66/58/607596658.db2.gz SQOBLYSAWULMOQ-QMMMGPOBSA-N -1 1 375.376 2.210 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(CC(F)(F)F)C1CC1 ZINC000826495537 607598174 /nfs/dbraw/zinc/59/81/74/607598174.db2.gz SRZCMKQLHYVPOM-UHFFFAOYSA-N -1 1 381.767 2.236 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(CC(F)(F)F)C1CC1 ZINC000826495537 607598176 /nfs/dbraw/zinc/59/81/76/607598176.db2.gz SRZCMKQLHYVPOM-UHFFFAOYSA-N -1 1 381.767 2.236 20 0 GEADMM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738962342 602981328 /nfs/dbraw/zinc/98/13/28/602981328.db2.gz RZXNFXFUTOVPMZ-LXZKKBNFSA-N -1 1 392.475 2.191 20 0 GEADMM C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738962340 602981403 /nfs/dbraw/zinc/98/14/03/602981403.db2.gz RZXNFXFUTOVPMZ-JLJPHGGASA-N -1 1 392.475 2.191 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])CCCCC2)CCO1 ZINC000739063298 602992783 /nfs/dbraw/zinc/99/27/83/602992783.db2.gz JQVTXZXCWYFDBH-HOTGVXAUSA-N -1 1 381.517 2.353 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CCN1CCOC ZINC000739280344 602998711 /nfs/dbraw/zinc/99/87/11/602998711.db2.gz SECHAWFSFLPEGM-GOSISDBHSA-N -1 1 390.484 2.297 20 0 GEADMM Cc1ccc([C@@](O)(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C(F)(F)F)o1 ZINC000826284534 607599927 /nfs/dbraw/zinc/59/99/27/607599927.db2.gz WUJLXDLDZMOEQI-HNNXBMFYSA-N -1 1 397.313 2.047 20 0 GEADMM Cc1ccc([C@@](O)(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C(F)(F)F)o1 ZINC000826284534 607599929 /nfs/dbraw/zinc/59/99/29/607599929.db2.gz WUJLXDLDZMOEQI-HNNXBMFYSA-N -1 1 397.313 2.047 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000824640395 607600107 /nfs/dbraw/zinc/60/01/07/607600107.db2.gz HPKGMNOPPDUPNU-VIFPVBQESA-N -1 1 398.370 2.320 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])N2CCCC2)c1 ZINC000739945269 603013790 /nfs/dbraw/zinc/01/37/90/603013790.db2.gz JGCYPZTXBSTAQU-SQNIBIBYSA-N -1 1 375.469 2.385 20 0 GEADMM CCOc1cccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000825649833 607600686 /nfs/dbraw/zinc/60/06/86/607600686.db2.gz ZDMGDOHGSAJGNH-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CC(C)(C)NC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739185222 603020138 /nfs/dbraw/zinc/02/01/38/603020138.db2.gz OFOPOJJXPRLLFK-HUUCEWRRSA-N -1 1 377.485 2.348 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])CC2)c1 ZINC000740168806 603021423 /nfs/dbraw/zinc/02/14/23/603021423.db2.gz HDVMOBGKKWAZPW-OALUTQOASA-N -1 1 388.512 2.060 20 0 GEADMM O=S(=O)(NCc1ccc(F)cc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492169 607601311 /nfs/dbraw/zinc/60/13/11/607601311.db2.gz WKZGNFURFOZYJN-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=S(=O)(NCc1ccc(F)cc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492169 607601312 /nfs/dbraw/zinc/60/13/12/607601312.db2.gz WKZGNFURFOZYJN-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM CC(C)c1nc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000824359601 607604214 /nfs/dbraw/zinc/60/42/14/607604214.db2.gz XWOHBNPGYVRCPN-UHFFFAOYSA-N -1 1 396.473 2.107 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000739008353 603126823 /nfs/dbraw/zinc/12/68/23/603126823.db2.gz GBOQJSFBBLJDQB-LLVKDONJSA-N -1 1 390.419 2.189 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000739008353 603126825 /nfs/dbraw/zinc/12/68/25/603126825.db2.gz GBOQJSFBBLJDQB-LLVKDONJSA-N -1 1 390.419 2.189 20 0 GEADMM O=C([O-])NC1(C(=O)NC[C@@H](c2ccco2)N2CCCC2)Cc2ccccc2C1 ZINC000740535012 603133038 /nfs/dbraw/zinc/13/30/38/603133038.db2.gz DYGGDVNGEREAOA-KRWDZBQOSA-N -1 1 383.448 2.338 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000738822940 603140878 /nfs/dbraw/zinc/14/08/78/603140878.db2.gz CYWHOKLPFPUNCN-MRXNPFEDSA-N -1 1 378.473 2.275 20 0 GEADMM CC1(c2ccccc2)CC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824844293 607609842 /nfs/dbraw/zinc/60/98/42/607609842.db2.gz VEAVDXWWMODLEC-UHFFFAOYSA-N -1 1 387.440 2.404 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@H]2CCCCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739893772 603182603 /nfs/dbraw/zinc/18/26/03/603182603.db2.gz LWCSYSPXVAZZDH-QZTJIDSGSA-N -1 1 375.469 2.481 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739897085 603182807 /nfs/dbraw/zinc/18/28/07/603182807.db2.gz RAOLSAPVIXFIMQ-CVEARBPZSA-N -1 1 379.482 2.001 20 0 GEADMM CC(C)C(=O)Nc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000824185373 607613940 /nfs/dbraw/zinc/61/39/40/607613940.db2.gz XQEJGIYIAWAKKT-UHFFFAOYSA-N -1 1 387.421 2.229 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000740570161 603239790 /nfs/dbraw/zinc/23/97/90/603239790.db2.gz QRBFRNCTNUXECO-ZWKOTPCHSA-N -1 1 388.512 2.141 20 0 GEADMM CN(CCCNC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000739677347 603248745 /nfs/dbraw/zinc/24/87/45/603248745.db2.gz XIKKURDWCZHOEC-INIZCTEOSA-N -1 1 391.468 2.101 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488505 607617415 /nfs/dbraw/zinc/61/74/15/607617415.db2.gz RJYLXVJPIPSUBD-PRHODGIISA-N -1 1 395.366 2.118 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488505 607617417 /nfs/dbraw/zinc/61/74/17/607617417.db2.gz RJYLXVJPIPSUBD-PRHODGIISA-N -1 1 395.366 2.118 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830086224 603258226 /nfs/dbraw/zinc/25/82/26/603258226.db2.gz ZGJXYPLZAMRCBL-KRWDZBQOSA-N -1 1 389.500 2.353 20 0 GEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824079950 607617729 /nfs/dbraw/zinc/61/77/29/607617729.db2.gz TURGHOFUDIKRNV-ABAIWWIYSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824079953 607618057 /nfs/dbraw/zinc/61/80/57/607618057.db2.gz TURGHOFUDIKRNV-XHDPSFHLSA-N -1 1 397.476 2.125 20 0 GEADMM C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826056372 603270228 /nfs/dbraw/zinc/27/02/28/603270228.db2.gz CBCZREZGHQIYCO-KYHPRHEASA-N -1 1 377.485 2.247 20 0 GEADMM C[C@H](c1nc(-c2cccs2)no1)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739062460 603345341 /nfs/dbraw/zinc/34/53/41/603345341.db2.gz GCQZZABQQFKIQZ-ZIAGYGMSSA-N -1 1 391.497 2.477 20 0 GEADMM CCN(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)C(=O)[O-] ZINC000739395729 603381069 /nfs/dbraw/zinc/38/10/69/603381069.db2.gz CJYVGASHQQEFCK-UHFFFAOYSA-N -1 1 388.390 2.396 20 0 GEADMM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000740361146 603382686 /nfs/dbraw/zinc/38/26/86/603382686.db2.gz AQKGTWCHRJAQMY-CVEARBPZSA-N -1 1 379.457 2.082 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cs1 ZINC000828761202 603396699 /nfs/dbraw/zinc/39/66/99/603396699.db2.gz PXBZVUDCIPHLFF-UHFFFAOYSA-N -1 1 386.407 2.434 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000832757914 603397818 /nfs/dbraw/zinc/39/78/18/603397818.db2.gz QSKMOLUVCAYKGX-PMACEKPBSA-N -1 1 387.455 2.188 20 0 GEADMM O=C([O-])N(CC1CC1)C1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000831552290 603468221 /nfs/dbraw/zinc/46/82/21/603468221.db2.gz GFHKIEFPZXMOQQ-UHFFFAOYSA-N -1 1 388.540 2.300 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000831998599 603482017 /nfs/dbraw/zinc/48/20/17/603482017.db2.gz VFANJPKKUSGIRX-ZJUUUORDSA-N -1 1 388.540 2.442 20 0 GEADMM O=C(CSc1n[nH]c(=S)s1)Nc1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000831553080 603491367 /nfs/dbraw/zinc/49/13/67/603491367.db2.gz RSWARNLGFANGEF-UHFFFAOYSA-N -1 1 389.509 2.050 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1)NC(=O)[O-] ZINC000824091555 603569012 /nfs/dbraw/zinc/56/90/12/603569012.db2.gz HARLFDUNCXVJMV-IBGZPJMESA-N -1 1 390.528 2.188 20 0 GEADMM CN(CC1CCCCC1)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828175695 603591209 /nfs/dbraw/zinc/59/12/09/603591209.db2.gz KVDVLACILRLLLA-BEFAXECRSA-N -1 1 380.489 2.204 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN(C1CC1)C1CCCCC1)C2=O ZINC000832499533 603595734 /nfs/dbraw/zinc/59/57/34/603595734.db2.gz RHVKRWRFBSCCRV-VBKZILBWSA-N -1 1 392.500 2.489 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)NC(=O)[O-] ZINC000824080214 603607686 /nfs/dbraw/zinc/60/76/86/603607686.db2.gz YOKPHVJCGYRYFH-MOPGFXCFSA-N -1 1 391.512 2.325 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)NC1CCN(Cc2ccncc2)CC1)NC(=O)[O-] ZINC000824084006 603628340 /nfs/dbraw/zinc/62/83/40/603628340.db2.gz IGRRPXNVFWSXJW-SFHVURJKSA-N -1 1 391.516 2.370 20 0 GEADMM O=C([O-])NCc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000832730957 603632392 /nfs/dbraw/zinc/63/23/92/603632392.db2.gz YOPFAXHSAYXFDZ-UHFFFAOYSA-N -1 1 386.227 2.413 20 0 GEADMM Cc1cc(C)cc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826264414 607642498 /nfs/dbraw/zinc/64/24/98/607642498.db2.gz NINKIYKLIOOBSP-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@@H](C)[C@H]2CNC(=O)[O-])cc1OC ZINC000829358189 603722302 /nfs/dbraw/zinc/72/23/02/603722302.db2.gz WNXQMRGITXTLRC-GDBMZVCRSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824413555 607648216 /nfs/dbraw/zinc/64/82/16/607648216.db2.gz NHNCYOLBJSPOJN-NSHDSACASA-N -1 1 394.888 2.158 20 0 GEADMM C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824413555 607648218 /nfs/dbraw/zinc/64/82/18/607648218.db2.gz NHNCYOLBJSPOJN-NSHDSACASA-N -1 1 394.888 2.158 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCSc2ncccc21 ZINC000826495485 607648333 /nfs/dbraw/zinc/64/83/33/607648333.db2.gz QPWLFMLIOBXMHF-UHFFFAOYSA-N -1 1 394.869 2.216 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCSc2ncccc21 ZINC000826495485 607648335 /nfs/dbraw/zinc/64/83/35/607648335.db2.gz QPWLFMLIOBXMHF-UHFFFAOYSA-N -1 1 394.869 2.216 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829592018 603865169 /nfs/dbraw/zinc/86/51/69/603865169.db2.gz KMVGSQHRISFUBZ-UZLBHIALSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829592015 603865339 /nfs/dbraw/zinc/86/53/39/603865339.db2.gz KMVGSQHRISFUBZ-JXFKEZNVSA-N -1 1 375.469 2.338 20 0 GEADMM Cc1csc(C2(NS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCC2)n1 ZINC000826320574 607657007 /nfs/dbraw/zinc/65/70/07/607657007.db2.gz WFCKVDKWWDRZOA-UHFFFAOYSA-N -1 1 394.457 2.128 20 0 GEADMM Cc1csc(C2(NS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCC2)n1 ZINC000826320574 607657008 /nfs/dbraw/zinc/65/70/08/607657008.db2.gz WFCKVDKWWDRZOA-UHFFFAOYSA-N -1 1 394.457 2.128 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829543389 603890184 /nfs/dbraw/zinc/89/01/84/603890184.db2.gz JLKVELFHHKIVDQ-OIISXLGYSA-N -1 1 378.473 2.033 20 0 GEADMM CSC(C)(C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826224328 607658338 /nfs/dbraw/zinc/65/83/38/607658338.db2.gz AEBPOUJKMDMBCE-UHFFFAOYSA-N -1 1 395.432 2.305 20 0 GEADMM COc1ccc(O)c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000829484587 603911605 /nfs/dbraw/zinc/91/16/05/603911605.db2.gz UKBMTKCQDVDOLE-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM COc1ccc(O)c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000829484587 603911609 /nfs/dbraw/zinc/91/16/09/603911609.db2.gz UKBMTKCQDVDOLE-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCC[C@@H]1c1nccs1 ZINC000826496280 607660011 /nfs/dbraw/zinc/66/00/11/607660011.db2.gz QQQPKTVFRCPZOM-LLVKDONJSA-N -1 1 394.457 2.378 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCC[C@@H]1c1nccs1 ZINC000826496280 607660012 /nfs/dbraw/zinc/66/00/12/607660012.db2.gz QQQPKTVFRCPZOM-LLVKDONJSA-N -1 1 394.457 2.378 20 0 GEADMM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000831859085 603936624 /nfs/dbraw/zinc/93/66/24/603936624.db2.gz RWNQOOFNEKEEPC-CQSZACIVSA-N -1 1 378.816 2.259 20 0 GEADMM O=C([O-])N1CC(OCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)C1 ZINC000831529328 603972194 /nfs/dbraw/zinc/97/21/94/603972194.db2.gz JTYUCGBUXBMBKK-LJQANCHMSA-N -1 1 380.404 2.147 20 0 GEADMM C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000826059429 604091188 /nfs/dbraw/zinc/09/11/88/604091188.db2.gz UUHFWDHMMWLLJI-HRCADAONSA-N -1 1 377.485 2.158 20 0 GEADMM O=C([O-])NCCCOC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000832632094 604105526 /nfs/dbraw/zinc/10/55/26/604105526.db2.gz BOSSYRFGIRPVRC-AEFFLSMTSA-N -1 1 381.517 2.306 20 0 GEADMM O=C([O-])NCCCOC1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000832633976 604109732 /nfs/dbraw/zinc/10/97/32/604109732.db2.gz XTYRMPURVMRYLG-UHFFFAOYSA-N -1 1 393.528 2.210 20 0 GEADMM O=C([O-])N1CCCc2cc(NC(=O)N3CCN(C[C@H]4CCOC4)CC3)ccc21 ZINC000831772773 604140405 /nfs/dbraw/zinc/14/04/05/604140405.db2.gz OTSCDWAORHYWSD-OAHLLOKOSA-N -1 1 388.468 2.303 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1F ZINC000829356495 604180453 /nfs/dbraw/zinc/18/04/53/604180453.db2.gz KJGSQGXWTNIUJD-UKRRQHHQSA-N -1 1 381.448 2.161 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825251690 604182197 /nfs/dbraw/zinc/18/21/97/604182197.db2.gz ADMIYBBAHZEAQE-MJBXVCDLSA-N -1 1 377.441 2.153 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000825263787 604228145 /nfs/dbraw/zinc/22/81/45/604228145.db2.gz IEQAFUQOFVMAIK-CABCVRRESA-N -1 1 384.498 2.227 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1OC ZINC000829358274 604255462 /nfs/dbraw/zinc/25/54/62/604255462.db2.gz YCNYBHZPWUWRRR-GOEBONIOSA-N -1 1 393.484 2.030 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)CCO2)n[nH]1 ZINC000830304663 604334065 /nfs/dbraw/zinc/33/40/65/604334065.db2.gz VBFXOVAMEZUYSC-LBPRGKRZSA-N -1 1 378.364 2.202 20 0 GEADMM C[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824678297 604360014 /nfs/dbraw/zinc/36/00/14/604360014.db2.gz BBUXNMXWOLETIT-DZGCQCFKSA-N -1 1 390.484 2.202 20 0 GEADMM CC(C)CC[C@H]1CCCCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000824233155 604434676 /nfs/dbraw/zinc/43/46/76/604434676.db2.gz VSJRYKRJUMPQBB-OAHLLOKOSA-N -1 1 380.489 2.299 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826885609 604455817 /nfs/dbraw/zinc/45/58/17/604455817.db2.gz DGSHBWWFCJZBBZ-MSOLQXFVSA-N -1 1 391.512 2.495 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)CNC2(C(=O)[O-])CCCC2)cc1OC ZINC000676230944 604474142 /nfs/dbraw/zinc/47/41/42/604474142.db2.gz YJWJWCHWCHSTEY-OAHLLOKOSA-N -1 1 376.453 2.354 20 0 GEADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833421779 604500572 /nfs/dbraw/zinc/50/05/72/604500572.db2.gz CVAIONFPJXRHLH-UHFFFAOYSA-N -1 1 382.380 2.288 20 0 GEADMM Cc1ccc(C)c(N2CCN(CCCN3C(=O)CS/C3=C\C(=O)[O-])CC2)c1 ZINC000832926304 604505687 /nfs/dbraw/zinc/50/56/87/604505687.db2.gz QOMMPZAYJHNXND-UYRXBGFRSA-N -1 1 389.521 2.317 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000826095746 604521939 /nfs/dbraw/zinc/52/19/39/604521939.db2.gz NBBHEHMWRJWDJN-AEFFLSMTSA-N -1 1 389.496 2.202 20 0 GEADMM CC1(c2cccc(Br)c2)CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000833573969 604567054 /nfs/dbraw/zinc/56/70/54/604567054.db2.gz ORSQTUZFOWWTJN-UHFFFAOYSA-N -1 1 383.286 2.394 20 0 GEADMM Cc1nc2ccccc2n1C[C@@H]1CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000833756971 604619232 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ZINC000834177770 605442457 /nfs/dbraw/zinc/44/24/57/605442457.db2.gz CNIURCQZUQUNNX-BFHYXJOUSA-N -1 1 386.408 2.333 20 0 GEADMM Cn1cc(CN2CCCN(C(=O)[O-])CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000833949556 605475607 /nfs/dbraw/zinc/47/56/07/605475607.db2.gz UBEKDXCLCLBEQG-UHFFFAOYSA-N -1 1 386.452 2.434 20 0 GEADMM CCCN(CC(=O)NCCc1cccc2cccnc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826898441 605476283 /nfs/dbraw/zinc/47/62/83/605476283.db2.gz VUDUDLPPNVDNIY-GOSISDBHSA-N -1 1 384.480 2.358 20 0 GEADMM Cn1cc(CN2CCC[C@@H](NC(=O)[O-])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000833949458 605485337 /nfs/dbraw/zinc/48/53/37/605485337.db2.gz QPZVBSMEXVALPK-MRXNPFEDSA-N -1 1 386.452 2.480 20 0 GEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000834239635 605564930 /nfs/dbraw/zinc/56/49/30/605564930.db2.gz CJUWLWWBYYIHMU-LBPRGKRZSA-N -1 1 389.374 2.023 20 0 GEADMM O=C([O-])N1CCC[C@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000739381469 605645848 /nfs/dbraw/zinc/64/58/48/605645848.db2.gz RLWMCLITPBSJJE-KRWDZBQOSA-N -1 1 378.448 2.232 20 0 GEADMM CCc1ncc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)s1 ZINC000833867584 605684720 /nfs/dbraw/zinc/68/47/20/605684720.db2.gz UUHORLSLAMDZKI-HIFRSBDPSA-N -1 1 380.514 2.176 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cc3c(cc2C)OCO3)c(OC)c1C(=O)[O-] ZINC000833734521 605785536 /nfs/dbraw/zinc/78/55/36/605785536.db2.gz KVOCZFJAEGWKOB-UHFFFAOYSA-N -1 1 395.389 2.240 20 0 GEADMM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000833994817 605812306 /nfs/dbraw/zinc/81/23/06/605812306.db2.gz KAHCLBOJNFDWJG-SFHVURJKSA-N -1 1 381.517 2.260 20 0 GEADMM O=C([O-])N(CCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C1CC1 ZINC000834041278 605820544 /nfs/dbraw/zinc/82/05/44/605820544.db2.gz ZKLRKNPEUIEILU-ZDUSSCGKSA-N -1 1 376.461 2.104 20 0 GEADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833794806 605821327 /nfs/dbraw/zinc/82/13/27/605821327.db2.gz NNYYZBOWAFZIST-ZIAGYGMSSA-N -1 1 378.477 2.253 20 0 GEADMM O=C([O-])N1CCCC[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834106665 605822626 /nfs/dbraw/zinc/82/26/26/605822626.db2.gz FEHCKVHAGWPBAC-KBPBESRZSA-N -1 1 376.461 2.104 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834211173 605822785 /nfs/dbraw/zinc/82/27/85/605822785.db2.gz ACHKXSGHSBEIMD-SOUVJXGZSA-N -1 1 390.488 2.398 20 0 GEADMM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000834110352 605822834 /nfs/dbraw/zinc/82/28/34/605822834.db2.gz WNPDKOPWHUORFV-CABCVRRESA-N -1 1 384.440 2.461 20 0 GEADMM O=C([O-])NC[C@H](NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834206455 605822948 /nfs/dbraw/zinc/82/29/48/605822948.db2.gz QUVVLESATCFFCZ-GJZGRUSLSA-N -1 1 384.440 2.364 20 0 GEADMM O=C([O-])N1CCC[C@H](NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834099683 605824274 /nfs/dbraw/zinc/82/42/74/605824274.db2.gz QDGIYTYUMICCQB-GJZGRUSLSA-N -1 1 384.440 2.461 20 0 GEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000833831916 605896598 /nfs/dbraw/zinc/89/65/98/605896598.db2.gz QMBRPWKQGQIOQO-MNOVXSKESA-N -1 1 391.365 2.439 20 0 GEADMM N=C(NOCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1COCCN1C(=O)[O-] ZINC000833982087 605924775 /nfs/dbraw/zinc/92/47/75/605924775.db2.gz XBNCQRFSPNICGH-LBPRGKRZSA-N -1 1 380.788 2.372 20 0 GEADMM O=C([O-])NCCCn1ccc2cc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)ccc21 ZINC000834238477 605959916 /nfs/dbraw/zinc/95/99/16/605959916.db2.gz NLHHWYZNNNPFMT-OAHLLOKOSA-N -1 1 381.436 2.309 20 0 GEADMM O=C([O-])NC1CCC(C(=O)Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000834171770 605975885 /nfs/dbraw/zinc/97/58/85/605975885.db2.gz XBYHMUPUOZDREP-UHFFFAOYSA-N -1 1 375.469 2.408 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823791628 606106459 /nfs/dbraw/zinc/10/64/59/606106459.db2.gz GHWUJJUAYNLXNT-HNNXBMFYSA-N -1 1 395.467 2.364 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823791628 606106460 /nfs/dbraw/zinc/10/64/60/606106460.db2.gz GHWUJJUAYNLXNT-HNNXBMFYSA-N -1 1 395.467 2.364 20 0 GEADMM Cc1nc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)sc1C ZINC000822449939 606136520 /nfs/dbraw/zinc/13/65/20/606136520.db2.gz VWJCDNBPQUGXFL-ZETCQYMHSA-N -1 1 378.439 2.186 20 0 GEADMM Cc1nc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)sc1C ZINC000822449939 606136522 /nfs/dbraw/zinc/13/65/22/606136522.db2.gz VWJCDNBPQUGXFL-ZETCQYMHSA-N -1 1 378.439 2.186 20 0 GEADMM O=C(OCCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823405409 606138378 /nfs/dbraw/zinc/13/83/78/606138378.db2.gz PWKWRUSCKMCALP-UHFFFAOYSA-N -1 1 396.425 2.088 20 0 GEADMM O=C(OCCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823405409 606138379 /nfs/dbraw/zinc/13/83/79/606138379.db2.gz PWKWRUSCKMCALP-UHFFFAOYSA-N -1 1 396.425 2.088 20 0 GEADMM CCN(CC(C)(C)O)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821169980 606153189 /nfs/dbraw/zinc/15/31/89/606153189.db2.gz KHZRSCCYGRPKIK-UHFFFAOYSA-N -1 1 376.486 2.094 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2cc(Cl)cc(Cl)c2)n1 ZINC000822619688 606157407 /nfs/dbraw/zinc/15/74/07/606157407.db2.gz FRPPKSNZODYNQQ-UHFFFAOYSA-N -1 1 381.227 2.271 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2cc(Cl)cc(Cl)c2)n1 ZINC000822619688 606157409 /nfs/dbraw/zinc/15/74/09/606157409.db2.gz FRPPKSNZODYNQQ-UHFFFAOYSA-N -1 1 381.227 2.271 20 0 GEADMM COc1ccc2ccccc2c1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821854516 606162508 /nfs/dbraw/zinc/16/25/08/606162508.db2.gz LJXGDVBHSYWUMV-UHFFFAOYSA-N -1 1 378.396 2.084 20 0 GEADMM COc1ccc2ccccc2c1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821854516 606162510 /nfs/dbraw/zinc/16/25/10/606162510.db2.gz LJXGDVBHSYWUMV-UHFFFAOYSA-N -1 1 378.396 2.084 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)ccc1C ZINC000821668156 606163105 /nfs/dbraw/zinc/16/31/05/606163105.db2.gz RWLNQPHXBMSTJF-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM CO[C@@H](C)c1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000821675803 606167905 /nfs/dbraw/zinc/16/79/05/606167905.db2.gz UFHHBHOMMQYJSY-JTQLQIEISA-N -1 1 399.367 2.006 20 0 GEADMM CO[C@@H](C)c1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000821675803 606167906 /nfs/dbraw/zinc/16/79/06/606167906.db2.gz UFHHBHOMMQYJSY-JTQLQIEISA-N -1 1 399.367 2.006 20 0 GEADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819976388 606193310 /nfs/dbraw/zinc/19/33/10/606193310.db2.gz VIJBVXYMDLQTJL-UHFFFAOYSA-N -1 1 376.417 2.204 20 0 GEADMM CC(=O)N[C@@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(C)cc1 ZINC000819802555 606195387 /nfs/dbraw/zinc/19/53/87/606195387.db2.gz FLTBNPMRHMOJRG-HNNXBMFYSA-N -1 1 380.408 2.087 20 0 GEADMM O=C(c1cc(F)ccc1[O-])N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823472647 606197957 /nfs/dbraw/zinc/19/79/57/606197957.db2.gz UFNDJCZLAMLXPV-UHFFFAOYSA-N -1 1 383.383 2.395 20 0 GEADMM CN(Cc1nccn1CC(F)(F)F)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821617862 606218010 /nfs/dbraw/zinc/21/80/10/606218010.db2.gz GDCJOUJLEWSGQL-UHFFFAOYSA-N -1 1 378.771 2.372 20 0 GEADMM CN(Cc1nccn1CC(F)(F)F)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821617862 606218013 /nfs/dbraw/zinc/21/80/13/606218013.db2.gz GDCJOUJLEWSGQL-UHFFFAOYSA-N -1 1 378.771 2.372 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](CCO)CC(C)C ZINC000822535120 606290599 /nfs/dbraw/zinc/29/05/99/606290599.db2.gz HBNSBPSZXCMZFS-CQSZACIVSA-N -1 1 386.456 2.333 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](CCO)CC(C)C ZINC000822535120 606290601 /nfs/dbraw/zinc/29/06/01/606290601.db2.gz HBNSBPSZXCMZFS-CQSZACIVSA-N -1 1 386.456 2.333 20 0 GEADMM CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821175646 606293989 /nfs/dbraw/zinc/29/39/89/606293989.db2.gz RAKOIVSRAYSSII-UHFFFAOYSA-N -1 1 380.408 2.307 20 0 GEADMM Cc1ccc(N2C[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1F ZINC000822241179 606294331 /nfs/dbraw/zinc/29/43/31/606294331.db2.gz NJKHOQMZICBUGI-LBPRGKRZSA-N -1 1 396.382 2.011 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(OC2CCOCC2)cc1 ZINC000823294773 606295000 /nfs/dbraw/zinc/29/50/00/606295000.db2.gz QSLKHUBDFYTMIC-UHFFFAOYSA-N -1 1 381.392 2.382 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccn(Cc2ccccc2)c1=O ZINC000823294580 606295941 /nfs/dbraw/zinc/29/59/41/606295941.db2.gz HYZCYHFHWSWRJN-UHFFFAOYSA-N -1 1 388.387 2.035 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000823482820 606296172 /nfs/dbraw/zinc/29/61/72/606296172.db2.gz ADQKTRSXXSLZMQ-NSHDSACASA-N -1 1 384.469 2.223 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000823482820 606296174 /nfs/dbraw/zinc/29/61/74/606296174.db2.gz ADQKTRSXXSLZMQ-NSHDSACASA-N -1 1 384.469 2.223 20 0 GEADMM O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822934632 606298282 /nfs/dbraw/zinc/29/82/82/606298282.db2.gz ARUCGJMGCLQXQB-HNNXBMFYSA-N -1 1 394.391 2.094 20 0 GEADMM CC(=O)Oc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1 ZINC000819827049 606391376 /nfs/dbraw/zinc/39/13/76/606391376.db2.gz PUYXKILODPZOSC-JYRVWZFOSA-N -1 1 381.373 2.198 20 0 GEADMM CCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OCC(C)C)=C1C ZINC000821241215 606393544 /nfs/dbraw/zinc/39/35/44/606393544.db2.gz KYLZCWKYPAFWJX-AWEZNQCLSA-N -1 1 390.469 2.488 20 0 GEADMM CCCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000821065769 606393568 /nfs/dbraw/zinc/39/35/68/606393568.db2.gz MQCRVBOVFFNFTI-CYBMUJFWSA-N -1 1 376.442 2.242 20 0 GEADMM Cc1cc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000822192130 606436905 /nfs/dbraw/zinc/43/69/05/606436905.db2.gz ZXZNGZWUNUJPQC-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000823150069 606449513 /nfs/dbraw/zinc/44/95/13/606449513.db2.gz LGJGCPRGVYYXNU-UHFFFAOYSA-N -1 1 390.879 2.079 20 0 GEADMM O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823150069 606449515 /nfs/dbraw/zinc/44/95/15/606449515.db2.gz LGJGCPRGVYYXNU-UHFFFAOYSA-N -1 1 390.879 2.079 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821066140 606459040 /nfs/dbraw/zinc/45/90/40/606459040.db2.gz QXMNYUCTUOPGKV-NWDGAFQWSA-N -1 1 377.880 2.436 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821066140 606459042 /nfs/dbraw/zinc/45/90/42/606459042.db2.gz QXMNYUCTUOPGKV-NWDGAFQWSA-N -1 1 377.880 2.436 20 0 GEADMM CC(C)[C@H](CCN(C)c1nccnc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820021515 606478845 /nfs/dbraw/zinc/47/88/45/606478845.db2.gz VSMLMPHVXDYPPP-LBPRGKRZSA-N -1 1 376.465 2.032 20 0 GEADMM CC(C)[C@H](CCN(C)c1nccnc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820021515 606478847 /nfs/dbraw/zinc/47/88/47/606478847.db2.gz VSMLMPHVXDYPPP-LBPRGKRZSA-N -1 1 376.465 2.032 20 0 GEADMM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823250393 606497737 /nfs/dbraw/zinc/49/77/37/606497737.db2.gz WTIYNFLNXICURM-UHFFFAOYSA-N -1 1 396.476 2.484 20 0 GEADMM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250393 606497739 /nfs/dbraw/zinc/49/77/39/606497739.db2.gz WTIYNFLNXICURM-UHFFFAOYSA-N -1 1 396.476 2.484 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000823436133 606518279 /nfs/dbraw/zinc/51/82/79/606518279.db2.gz IKDZEXXIFAUKBI-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000823436133 606518280 /nfs/dbraw/zinc/51/82/80/606518280.db2.gz IKDZEXXIFAUKBI-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC000821640897 606523044 /nfs/dbraw/zinc/52/30/44/606523044.db2.gz RGYGXWDMOCQRSY-LBPRGKRZSA-N -1 1 377.813 2.226 20 0 GEADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC000821640897 606523045 /nfs/dbraw/zinc/52/30/45/606523045.db2.gz RGYGXWDMOCQRSY-LBPRGKRZSA-N -1 1 377.813 2.226 20 0 GEADMM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)CC1 ZINC000820727639 606526323 /nfs/dbraw/zinc/52/63/23/606526323.db2.gz NEOUQUVZEFNHMH-UHFFFAOYSA-N -1 1 383.481 2.490 20 0 GEADMM CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821060620 606527595 /nfs/dbraw/zinc/52/75/95/606527595.db2.gz FFOGKKCJPWXILZ-UHFFFAOYSA-N -1 1 376.486 2.039 20 0 GEADMM CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821060620 606527597 /nfs/dbraw/zinc/52/75/97/606527597.db2.gz FFOGKKCJPWXILZ-UHFFFAOYSA-N -1 1 376.486 2.039 20 0 GEADMM O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823454778 606545453 /nfs/dbraw/zinc/54/54/53/606545453.db2.gz UFLYAFOBZVSMPV-UHFFFAOYSA-N -1 1 398.448 2.275 20 0 GEADMM O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823454778 606545455 /nfs/dbraw/zinc/54/54/55/606545455.db2.gz UFLYAFOBZVSMPV-UHFFFAOYSA-N -1 1 398.448 2.275 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820389861 606545630 /nfs/dbraw/zinc/54/56/30/606545630.db2.gz AHQKABBVAJXYPH-SECBINFHSA-N -1 1 396.798 2.456 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820389861 606545633 /nfs/dbraw/zinc/54/56/33/606545633.db2.gz AHQKABBVAJXYPH-SECBINFHSA-N -1 1 396.798 2.456 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000822458121 606552873 /nfs/dbraw/zinc/55/28/73/606552873.db2.gz CUIAVYSWZLLPAJ-ZDUSSCGKSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000822458121 606552875 /nfs/dbraw/zinc/55/28/75/606552875.db2.gz CUIAVYSWZLLPAJ-ZDUSSCGKSA-N -1 1 382.472 2.106 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819933576 606554295 /nfs/dbraw/zinc/55/42/95/606554295.db2.gz WTBZITKTZRZIOT-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819933576 606554297 /nfs/dbraw/zinc/55/42/97/606554297.db2.gz WTBZITKTZRZIOT-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM COc1cccc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)n1 ZINC000821859571 606560674 /nfs/dbraw/zinc/56/06/74/606560674.db2.gz QXEDEXRMYSNXPC-UHFFFAOYSA-N -1 1 391.391 2.121 20 0 GEADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C(C)(C)C1 ZINC000819933562 606573665 /nfs/dbraw/zinc/57/36/65/606573665.db2.gz WCVQWUYISZVMPY-UHFFFAOYSA-N -1 1 392.485 2.400 20 0 GEADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C(C)(C)C1 ZINC000819933562 606573667 /nfs/dbraw/zinc/57/36/67/606573667.db2.gz WCVQWUYISZVMPY-UHFFFAOYSA-N -1 1 392.485 2.400 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000821979484 606585401 /nfs/dbraw/zinc/58/54/01/606585401.db2.gz SHUIQGIZPOYEFC-ZETCQYMHSA-N -1 1 392.391 2.458 20 0 GEADMM Cc1nc(Cl)sc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000822449994 606644390 /nfs/dbraw/zinc/64/43/90/606644390.db2.gz YAURQSHXIXPLOF-UHFFFAOYSA-N -1 1 396.816 2.290 20 0 GEADMM O=C(COc1ccccc1C(F)(F)F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823054696 606651415 /nfs/dbraw/zinc/65/14/15/606651415.db2.gz CYLHLBCUYKBXPG-UHFFFAOYSA-N -1 1 379.298 2.403 20 0 GEADMM O=C(COc1ccccc1C(F)(F)F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823054696 606651416 /nfs/dbraw/zinc/65/14/16/606651416.db2.gz CYLHLBCUYKBXPG-UHFFFAOYSA-N -1 1 379.298 2.403 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000823436363 606651535 /nfs/dbraw/zinc/65/15/35/606651535.db2.gz ROXQHYHXHRXILI-MRXNPFEDSA-N -1 1 381.392 2.177 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000823436363 606651536 /nfs/dbraw/zinc/65/15/36/606651536.db2.gz ROXQHYHXHRXILI-MRXNPFEDSA-N -1 1 381.392 2.177 20 0 GEADMM CCCNC(=O)Nc1ccc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821114503 606652676 /nfs/dbraw/zinc/65/26/76/606652676.db2.gz VHFFFTHHDFBTFN-UHFFFAOYSA-N -1 1 395.423 2.079 20 0 GEADMM CCCNC(=O)Nc1ccc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821114503 606652677 /nfs/dbraw/zinc/65/26/77/606652677.db2.gz VHFFFTHHDFBTFN-UHFFFAOYSA-N -1 1 395.423 2.079 20 0 GEADMM COc1ccc(Br)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821770121 606652727 /nfs/dbraw/zinc/65/27/27/606652727.db2.gz PKGHEHWEQUKGGK-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM COc1ccc(Br)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821770121 606652728 /nfs/dbraw/zinc/65/27/28/606652728.db2.gz PKGHEHWEQUKGGK-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(OCC2CC2)c1 ZINC000822237064 606697270 /nfs/dbraw/zinc/69/72/70/606697270.db2.gz CTFPPQMOZWUWAF-UHFFFAOYSA-N -1 1 382.428 2.019 20 0 GEADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(OCC2CC2)c1 ZINC000822237064 606697271 /nfs/dbraw/zinc/69/72/71/606697271.db2.gz CTFPPQMOZWUWAF-UHFFFAOYSA-N -1 1 382.428 2.019 20 0 GEADMM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)n[nH]1 ZINC000820108509 606750043 /nfs/dbraw/zinc/75/00/43/606750043.db2.gz KUTSCXOVQQZRAS-UHFFFAOYSA-N -1 1 381.849 2.243 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822548301 606753725 /nfs/dbraw/zinc/75/37/25/606753725.db2.gz HOXVMKAGZYOKGT-LSDHHAIUSA-N -1 1 395.419 2.437 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)Cc2cccn2C)c1-c1nn[n-]n1 ZINC000821990548 606755163 /nfs/dbraw/zinc/75/51/63/606755163.db2.gz UJRSZFCJLPKYJP-UHFFFAOYSA-N -1 1 383.481 2.472 20 0 GEADMM COc1c(F)cc(F)cc1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821698705 606768946 /nfs/dbraw/zinc/76/89/46/606768946.db2.gz VNQRSKSILJNGET-UHFFFAOYSA-N -1 1 394.363 2.228 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CC2CCSCC2)c(-c2nn[n-]n2)c1C ZINC000822548532 606798727 /nfs/dbraw/zinc/79/87/27/606798727.db2.gz LVUYIVFJXYUJHN-UHFFFAOYSA-N -1 1 379.442 2.092 20 0 GEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820733041 606805291 /nfs/dbraw/zinc/80/52/91/606805291.db2.gz CIBGNLRQZMPYGW-SWLSCSKDSA-N -1 1 377.452 2.474 20 0 GEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820733041 606805293 /nfs/dbraw/zinc/80/52/93/606805293.db2.gz CIBGNLRQZMPYGW-SWLSCSKDSA-N -1 1 377.452 2.474 20 0 GEADMM COc1ccccc1N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000821898381 606809271 /nfs/dbraw/zinc/80/92/71/606809271.db2.gz NUPOYCKUZBPAKA-QMMMGPOBSA-N -1 1 391.844 2.203 20 0 GEADMM COc1ccccc1N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000821898381 606809272 /nfs/dbraw/zinc/80/92/72/606809272.db2.gz NUPOYCKUZBPAKA-QMMMGPOBSA-N -1 1 391.844 2.203 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000821988827 606814368 /nfs/dbraw/zinc/81/43/68/606814368.db2.gz HRNSIHAOYSYKAY-GOSISDBHSA-N -1 1 386.481 2.114 20 0 GEADMM CCCCCC[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821050075 606820560 /nfs/dbraw/zinc/82/05/60/606820560.db2.gz PHBFHDYNOCWSGB-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCCC[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821050075 606820561 /nfs/dbraw/zinc/82/05/61/606820561.db2.gz PHBFHDYNOCWSGB-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(CCO)cc1 ZINC000822542491 606822219 /nfs/dbraw/zinc/82/22/19/606822219.db2.gz YBFSZCBFFIYDOA-UHFFFAOYSA-N -1 1 378.392 2.346 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(CCO)cc1 ZINC000822542491 606822220 /nfs/dbraw/zinc/82/22/20/606822220.db2.gz YBFSZCBFFIYDOA-UHFFFAOYSA-N -1 1 378.392 2.346 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC1CCCC1 ZINC000820774500 606823178 /nfs/dbraw/zinc/82/31/78/606823178.db2.gz DSIFRIXURXDDBQ-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC1CCCC1 ZINC000820774500 606823181 /nfs/dbraw/zinc/82/31/81/606823181.db2.gz DSIFRIXURXDDBQ-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM CCCC[C@@H](CC)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821040126 606823619 /nfs/dbraw/zinc/82/36/19/606823619.db2.gz IRQNPVIOVYSONU-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM CCCC[C@@H](CC)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821040126 606823620 /nfs/dbraw/zinc/82/36/20/606823620.db2.gz IRQNPVIOVYSONU-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000821795165 606843956 /nfs/dbraw/zinc/84/39/56/606843956.db2.gz VONUXQDOIDQUIG-UHFFFAOYSA-N -1 1 391.428 2.144 20 0 GEADMM CCc1nnc(Sc2nnc(-c3ccncc3)n2C)c(-c2nn[n-]n2)c1CC ZINC000821548596 606919598 /nfs/dbraw/zinc/91/95/98/606919598.db2.gz PLCCUCMMZHSAGI-UHFFFAOYSA-N -1 1 394.468 2.123 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)c1C ZINC000822548062 606954444 /nfs/dbraw/zinc/95/44/44/606954444.db2.gz DVFZXIHGWIGSGP-UHFFFAOYSA-N -1 1 399.411 2.184 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1C1CCCCC1 ZINC000823511118 607035449 /nfs/dbraw/zinc/03/54/49/607035449.db2.gz CWQIFQAEFSMCMB-INIZCTEOSA-N -1 1 377.452 2.182 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1C1CCCCC1 ZINC000823511118 607035451 /nfs/dbraw/zinc/03/54/51/607035451.db2.gz CWQIFQAEFSMCMB-INIZCTEOSA-N -1 1 377.452 2.182 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@H]1COc2ccccc2O1 ZINC000823802703 607039887 /nfs/dbraw/zinc/03/98/87/607039887.db2.gz YWPBGQIVIQPTOX-LBPRGKRZSA-N -1 1 375.392 2.452 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@H]1COc2ccccc2O1 ZINC000823802703 607039889 /nfs/dbraw/zinc/03/98/89/607039889.db2.gz YWPBGQIVIQPTOX-LBPRGKRZSA-N -1 1 375.392 2.452 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000822535184 607077235 /nfs/dbraw/zinc/07/72/35/607077235.db2.gz IWJBYWUHZBUFMI-VLIAUNLRSA-N -1 1 396.451 2.326 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000822535184 607077237 /nfs/dbraw/zinc/07/72/37/607077237.db2.gz IWJBYWUHZBUFMI-VLIAUNLRSA-N -1 1 396.451 2.326 20 0 GEADMM COc1cccc(-c2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)n[nH]2)c1 ZINC000821854248 607092806 /nfs/dbraw/zinc/09/28/06/607092806.db2.gz ICVXLUBOWBJTQG-UHFFFAOYSA-N -1 1 377.364 2.017 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C)cn(C)c2=O)c1-c1nn[n-]n1 ZINC000821990967 607099072 /nfs/dbraw/zinc/09/90/72/607099072.db2.gz ZZAGTTMVOYYMOL-UHFFFAOYSA-N -1 1 397.464 2.120 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000823380075 607103397 /nfs/dbraw/zinc/10/33/97/607103397.db2.gz PHGCWSMBLSJUPJ-CYBMUJFWSA-N -1 1 387.494 2.052 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000823380075 607103399 /nfs/dbraw/zinc/10/33/99/607103399.db2.gz PHGCWSMBLSJUPJ-CYBMUJFWSA-N -1 1 387.494 2.052 20 0 GEADMM Cc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nnn1-c1ccccc1Cl ZINC000822020792 607104709 /nfs/dbraw/zinc/10/47/09/607104709.db2.gz JMFZXSXZAFECAT-UHFFFAOYSA-N -1 1 387.816 2.118 20 0 GEADMM Cc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nnn1-c1ccccc1Cl ZINC000822020792 607104710 /nfs/dbraw/zinc/10/47/10/607104710.db2.gz JMFZXSXZAFECAT-UHFFFAOYSA-N -1 1 387.816 2.118 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000823380017 607105310 /nfs/dbraw/zinc/10/53/10/607105310.db2.gz NYBAHFDIGQVLPQ-UHFFFAOYSA-N -1 1 376.833 2.224 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000823380017 607105312 /nfs/dbraw/zinc/10/53/12/607105312.db2.gz NYBAHFDIGQVLPQ-UHFFFAOYSA-N -1 1 376.833 2.224 20 0 GEADMM Cc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nnn1-c1cccc(Cl)c1 ZINC000822020954 607106151 /nfs/dbraw/zinc/10/61/51/607106151.db2.gz OXGYTPKGZUEFBD-UHFFFAOYSA-N -1 1 387.816 2.118 20 0 GEADMM Cc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nnn1-c1cccc(Cl)c1 ZINC000822020954 607106153 /nfs/dbraw/zinc/10/61/53/607106153.db2.gz OXGYTPKGZUEFBD-UHFFFAOYSA-N -1 1 387.816 2.118 20 0 GEADMM O=C(CCC(=O)Nc1ncc(-c2nnn[n-]2)s1)CCC(=O)c1cccs1 ZINC000822946687 607106721 /nfs/dbraw/zinc/10/67/21/607106721.db2.gz ZVMUMLVBUKSEQR-UHFFFAOYSA-N -1 1 390.450 2.336 20 0 GEADMM O=C(CCC(=O)Nc1ncc(-c2nn[n-]n2)s1)CCC(=O)c1cccs1 ZINC000822946687 607106723 /nfs/dbraw/zinc/10/67/23/607106723.db2.gz ZVMUMLVBUKSEQR-UHFFFAOYSA-N -1 1 390.450 2.336 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000823383129 607107368 /nfs/dbraw/zinc/10/73/68/607107368.db2.gz MJXPTXYICPJBIN-UHFFFAOYSA-N -1 1 396.411 2.389 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000823383129 607107370 /nfs/dbraw/zinc/10/73/70/607107370.db2.gz MJXPTXYICPJBIN-UHFFFAOYSA-N -1 1 396.411 2.389 20 0 GEADMM CC(C)c1[nH]nc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1Br ZINC000820197236 607107729 /nfs/dbraw/zinc/10/77/29/607107729.db2.gz HRQOLOYFCJTTOF-UHFFFAOYSA-N -1 1 383.235 2.185 20 0 GEADMM CC(C)c1[nH]nc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1Br ZINC000820197236 607107731 /nfs/dbraw/zinc/10/77/31/607107731.db2.gz HRQOLOYFCJTTOF-UHFFFAOYSA-N -1 1 383.235 2.185 20 0 GEADMM COc1cccc2c1CC[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821877290 607142278 /nfs/dbraw/zinc/14/22/78/607142278.db2.gz GNMJDSSBJHCWFH-ZDUSSCGKSA-N -1 1 398.448 2.115 20 0 GEADMM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)C1 ZINC000820697636 607210890 /nfs/dbraw/zinc/21/08/90/607210890.db2.gz JUDWWHSLHMAGCM-CJNGLKHVSA-N -1 1 396.455 2.192 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(CCCc2ccccc2)cc1 ZINC000823130987 607213372 /nfs/dbraw/zinc/21/33/72/607213372.db2.gz AMSCMCWHAKMGLN-UHFFFAOYSA-N -1 1 388.435 2.272 20 0 GEADMM Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCC(C)CC1 ZINC000822351548 607216976 /nfs/dbraw/zinc/21/69/76/607216976.db2.gz OFKLUMDNSRGFBJ-LEHRNKBSSA-N -1 1 394.483 2.450 20 0 GEADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OCC1CCCCC1 ZINC000822248783 607219124 /nfs/dbraw/zinc/21/91/24/607219124.db2.gz NOKYAPMVQJFKBY-UHFFFAOYSA-N -1 1 396.455 2.364 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2cc(Br)ccc2c1 ZINC000823136099 607224604 /nfs/dbraw/zinc/22/46/04/607224604.db2.gz JWDKQYXKSHZSFR-UHFFFAOYSA-N -1 1 399.212 2.013 20 0 GEADMM O=C(CCSc1ccc2c(c1)OCCO2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822974462 607234687 /nfs/dbraw/zinc/23/46/87/607234687.db2.gz OJVMIHPJEAVMCY-UHFFFAOYSA-N -1 1 399.432 2.464 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826341149 607824846 /nfs/dbraw/zinc/82/48/46/607824846.db2.gz YGOFOZKAVSZBHD-DAXOMENPSA-N -1 1 394.435 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826341149 607824847 /nfs/dbraw/zinc/82/48/47/607824847.db2.gz YGOFOZKAVSZBHD-DAXOMENPSA-N -1 1 394.435 2.246 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCOc1ccc(Cl)cc1 ZINC000826418640 607864160 /nfs/dbraw/zinc/86/41/60/607864160.db2.gz PLBLBAKQZCOCOU-UHFFFAOYSA-N -1 1 391.790 2.233 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCOc1ccc(Cl)cc1 ZINC000826418640 607864161 /nfs/dbraw/zinc/86/41/61/607864161.db2.gz PLBLBAKQZCOCOU-UHFFFAOYSA-N -1 1 391.790 2.233 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCc2[nH]c3ccccc3c2C1 ZINC000826418553 607864209 /nfs/dbraw/zinc/86/42/09/607864209.db2.gz LZCLHBWTPMNKHB-UHFFFAOYSA-N -1 1 392.394 2.451 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCc2[nH]c3ccccc3c2C1 ZINC000826418553 607864210 /nfs/dbraw/zinc/86/42/10/607864210.db2.gz LZCLHBWTPMNKHB-UHFFFAOYSA-N -1 1 392.394 2.451 20 0 GEADMM CCOCc1ccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825605601 607864551 /nfs/dbraw/zinc/86/45/51/607864551.db2.gz YPVVWXYHJYZKHL-UHFFFAOYSA-N -1 1 385.399 2.238 20 0 GEADMM CCOCc1ccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825605601 607864552 /nfs/dbraw/zinc/86/45/52/607864552.db2.gz YPVVWXYHJYZKHL-UHFFFAOYSA-N -1 1 385.399 2.238 20 0 GEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824938936 607864921 /nfs/dbraw/zinc/86/49/21/607864921.db2.gz XAQJOFZAGDPIFI-GXTWGEPZSA-N -1 1 377.420 2.096 20 0 GEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824938936 607864922 /nfs/dbraw/zinc/86/49/22/607864922.db2.gz XAQJOFZAGDPIFI-GXTWGEPZSA-N -1 1 377.420 2.096 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000826418318 607865557 /nfs/dbraw/zinc/86/55/57/607865557.db2.gz AKBMAKGZRYVQQH-CQSZACIVSA-N -1 1 396.426 2.027 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000826418318 607865558 /nfs/dbraw/zinc/86/55/58/607865558.db2.gz AKBMAKGZRYVQQH-CQSZACIVSA-N -1 1 396.426 2.027 20 0 GEADMM CCCOc1cccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825341873 607865963 /nfs/dbraw/zinc/86/59/63/607865963.db2.gz LVSFWNJQYONQAW-UHFFFAOYSA-N -1 1 385.399 2.490 20 0 GEADMM CCCOc1cccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825341873 607865964 /nfs/dbraw/zinc/86/59/64/607865964.db2.gz LVSFWNJQYONQAW-UHFFFAOYSA-N -1 1 385.399 2.490 20 0 GEADMM CC(=O)Nc1ccc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000823999684 607867411 /nfs/dbraw/zinc/86/74/11/607867411.db2.gz HHGFJRDQGFAFNB-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM CC(=O)Nc1ccc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000823999684 607867412 /nfs/dbraw/zinc/86/74/12/607867412.db2.gz HHGFJRDQGFAFNB-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cnc2ccsc2c1 ZINC000826493385 607868112 /nfs/dbraw/zinc/86/81/12/607868112.db2.gz ICWRLMPDBAJZCO-UHFFFAOYSA-N -1 1 377.382 2.383 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cnc2ccsc2c1 ZINC000826493385 607868113 /nfs/dbraw/zinc/86/81/13/607868113.db2.gz ICWRLMPDBAJZCO-UHFFFAOYSA-N -1 1 377.382 2.383 20 0 GEADMM CCOC(=O)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000825518138 607879539 /nfs/dbraw/zinc/87/95/39/607879539.db2.gz SPUQXQQFYRMBKZ-UKTHLTGXSA-N -1 1 381.417 2.379 20 0 GEADMM O=C(NC[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)Nc1cccc(F)c1 ZINC000826435671 607899371 /nfs/dbraw/zinc/89/93/71/607899371.db2.gz USBNZTXYTUFBAP-CYBMUJFWSA-N -1 1 396.430 2.439 20 0 GEADMM O=C(NC[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)Nc1cccc(F)c1 ZINC000826435671 607899372 /nfs/dbraw/zinc/89/93/72/607899372.db2.gz USBNZTXYTUFBAP-CYBMUJFWSA-N -1 1 396.430 2.439 20 0 GEADMM O=[S@](Cc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1)C1CCOCC1 ZINC000826496338 607900298 /nfs/dbraw/zinc/90/02/98/607900298.db2.gz SRHVFIBDAQMRQO-HHHXNRCGSA-N -1 1 384.465 2.433 20 0 GEADMM O=[S@](Cc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1)C1CCOCC1 ZINC000826496338 607900299 /nfs/dbraw/zinc/90/02/99/607900299.db2.gz SRHVFIBDAQMRQO-HHHXNRCGSA-N -1 1 384.465 2.433 20 0 GEADMM OCCN(Cc1cc(Br)ccc1F)c1cccc(-c2nnn[n-]2)n1 ZINC000826509654 607901110 /nfs/dbraw/zinc/90/11/10/607901110.db2.gz CHBHDFPCWXTAKN-UHFFFAOYSA-N -1 1 393.220 2.162 20 0 GEADMM OCCN(Cc1cc(Br)ccc1F)c1cccc(-c2nn[n-]n2)n1 ZINC000826509654 607901111 /nfs/dbraw/zinc/90/11/11/607901111.db2.gz CHBHDFPCWXTAKN-UHFFFAOYSA-N -1 1 393.220 2.162 20 0 GEADMM O=Cc1cc(F)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826484079 607907883 /nfs/dbraw/zinc/90/78/83/607907883.db2.gz MWUBNHLPVIFEFN-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=Cc1cc(F)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826484079 607907884 /nfs/dbraw/zinc/90/78/84/607907884.db2.gz MWUBNHLPVIFEFN-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1c(C)noc1C ZINC000825148655 607939115 /nfs/dbraw/zinc/93/91/15/607939115.db2.gz RMTQNGWVYBFZDG-LLVKDONJSA-N -1 1 380.405 2.040 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1c(C)noc1C ZINC000825148655 607939116 /nfs/dbraw/zinc/93/91/16/607939116.db2.gz RMTQNGWVYBFZDG-LLVKDONJSA-N -1 1 380.405 2.040 20 0 GEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826323555 607954854 /nfs/dbraw/zinc/95/48/54/607954854.db2.gz IQFVMNKZUSMPEC-UHFFFAOYSA-N -1 1 379.424 2.171 20 0 GEADMM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826457301 607957148 /nfs/dbraw/zinc/95/71/48/607957148.db2.gz VLNGICSGVVJRCW-UHFFFAOYSA-N -1 1 384.403 2.429 20 0 GEADMM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826457301 607957149 /nfs/dbraw/zinc/95/71/49/607957149.db2.gz VLNGICSGVVJRCW-UHFFFAOYSA-N -1 1 384.403 2.429 20 0 GEADMM O=S(=O)(N[C@@H](c1cccnc1)C1CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487655 607974445 /nfs/dbraw/zinc/97/44/45/607974445.db2.gz VYOYQNYRKROGEA-OAHLLOKOSA-N -1 1 390.856 2.345 20 0 GEADMM O=S(=O)(N[C@@H](c1cccnc1)C1CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487655 607974446 /nfs/dbraw/zinc/97/44/46/607974446.db2.gz VYOYQNYRKROGEA-OAHLLOKOSA-N -1 1 390.856 2.345 20 0 GEADMM CSc1nnc(CCCNc2ccc(-c3nnn[n-]3)nn2)n1C1CCCC1 ZINC000826231293 607989208 /nfs/dbraw/zinc/98/92/08/607989208.db2.gz FOKBMUKQLQWLDQ-UHFFFAOYSA-N -1 1 386.489 2.130 20 0 GEADMM CSc1nnc(CCCNc2ccc(-c3nn[n-]n3)nn2)n1C1CCCC1 ZINC000826231293 607989209 /nfs/dbraw/zinc/98/92/09/607989209.db2.gz FOKBMUKQLQWLDQ-UHFFFAOYSA-N -1 1 386.489 2.130 20 0 GEADMM Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(Br)n1 ZINC000826282392 607997425 /nfs/dbraw/zinc/99/74/25/607997425.db2.gz MPFFCXSTLITGOZ-UHFFFAOYSA-N -1 1 375.186 2.291 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](c1ccccc1)N1CCSCC1 ZINC000826450906 607998956 /nfs/dbraw/zinc/99/89/56/607998956.db2.gz ILLDCCBPHXOVFU-QGZVFWFLSA-N -1 1 396.476 2.301 20 0 GEADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c(F)c1 ZINC000826111732 608008439 /nfs/dbraw/zinc/00/84/39/608008439.db2.gz LGVQUEZJILMJQU-GFCCVEGCSA-N -1 1 395.803 2.365 20 0 GEADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)c(F)c1 ZINC000826111732 608008440 /nfs/dbraw/zinc/00/84/40/608008440.db2.gz LGVQUEZJILMJQU-GFCCVEGCSA-N -1 1 395.803 2.365 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000826425096 608014605 /nfs/dbraw/zinc/01/46/05/608014605.db2.gz PSBBNDWVJPCILD-LBPRGKRZSA-N -1 1 394.420 2.096 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000826425096 608014606 /nfs/dbraw/zinc/01/46/06/608014606.db2.gz PSBBNDWVJPCILD-LBPRGKRZSA-N -1 1 394.420 2.096 20 0 GEADMM O=S1(=O)CCCN1c1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826496906 608027671 /nfs/dbraw/zinc/02/76/71/608027671.db2.gz NMICQUBGVRWTAK-UHFFFAOYSA-N -1 1 394.457 2.219 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000826425199 608148926 /nfs/dbraw/zinc/14/89/26/608148926.db2.gz UAPYZUJVDMESPY-UHFFFAOYSA-N -1 1 391.357 2.273 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000826425199 608148929 /nfs/dbraw/zinc/14/89/29/608148929.db2.gz UAPYZUJVDMESPY-UHFFFAOYSA-N -1 1 391.357 2.273 20 0 GEADMM CCN(CC(=O)Nc1cccc(OC)c1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825394768 608170201 /nfs/dbraw/zinc/17/02/01/608170201.db2.gz HHPLUIMMPWQYDY-UHFFFAOYSA-N -1 1 393.860 2.450 20 0 GEADMM CCN(CC(=O)Nc1cccc(OC)c1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825394768 608170204 /nfs/dbraw/zinc/17/02/04/608170204.db2.gz HHPLUIMMPWQYDY-UHFFFAOYSA-N -1 1 393.860 2.450 20 0 GEADMM Cc1cnc([C@H](C)OC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)o1 ZINC000826317747 608170994 /nfs/dbraw/zinc/17/09/94/608170994.db2.gz MMAIEOPBCFFABD-LBPRGKRZSA-N -1 1 396.411 2.060 20 0 GEADMM Cc1cnc([C@H](C)OC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)o1 ZINC000826317747 608170998 /nfs/dbraw/zinc/17/09/98/608170998.db2.gz MMAIEOPBCFFABD-LBPRGKRZSA-N -1 1 396.411 2.060 20 0 GEADMM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426877 608183301 /nfs/dbraw/zinc/18/33/01/608183301.db2.gz YJLRBKDIFOSITO-JTQLQIEISA-N -1 1 394.254 2.154 20 0 GEADMM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426877 608183302 /nfs/dbraw/zinc/18/33/02/608183302.db2.gz YJLRBKDIFOSITO-JTQLQIEISA-N -1 1 394.254 2.154 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@]1(O)CCSC1 ZINC000826272151 608230758 /nfs/dbraw/zinc/23/07/58/608230758.db2.gz WJIRLNFALKAOEB-SFHVURJKSA-N -1 1 398.448 2.169 20 0 GEADMM CCc1cnccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825739153 608303435 /nfs/dbraw/zinc/30/34/35/608303435.db2.gz AOJPPLZOKOQGQU-JTQLQIEISA-N -1 1 376.417 2.003 20 0 GEADMM CC[C@H](CSC)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825125205 608306422 /nfs/dbraw/zinc/30/64/22/608306422.db2.gz BIWSBFIEEHGXQA-SNVBAGLBSA-N -1 1 375.907 2.282 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826356770 608306795 /nfs/dbraw/zinc/30/67/95/608306795.db2.gz FFXJJKMJIUUXTG-HNNXBMFYSA-N -1 1 393.386 2.045 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000826356770 608306797 /nfs/dbraw/zinc/30/67/97/608306797.db2.gz FFXJJKMJIUUXTG-HNNXBMFYSA-N -1 1 393.386 2.045 20 0 GEADMM CSc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)ccn1 ZINC000826230341 608326026 /nfs/dbraw/zinc/32/60/26/608326026.db2.gz OIVNXVCNTCSOIB-UHFFFAOYSA-N -1 1 382.858 2.438 20 0 GEADMM CCC(=O)N1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000825034898 608346493 /nfs/dbraw/zinc/34/64/93/608346493.db2.gz SXRPDBIRIVYBHI-SNVBAGLBSA-N -1 1 376.486 2.423 20 0 GEADMM CCC(=O)N1CC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000825034898 608346495 /nfs/dbraw/zinc/34/64/95/608346495.db2.gz SXRPDBIRIVYBHI-SNVBAGLBSA-N -1 1 376.486 2.423 20 0 GEADMM CC(C)(C)c1cc(NC(=O)CS(=O)(=O)C(C)(C)C)c(-c2nnn[n-]2)s1 ZINC000824129639 608347750 /nfs/dbraw/zinc/34/77/50/608347750.db2.gz CFNGNOWMFPCASF-UHFFFAOYSA-N -1 1 385.515 2.378 20 0 GEADMM CC(C)(C)c1cc(NC(=O)CS(=O)(=O)C(C)(C)C)c(-c2nn[n-]n2)s1 ZINC000824129639 608347752 /nfs/dbraw/zinc/34/77/52/608347752.db2.gz CFNGNOWMFPCASF-UHFFFAOYSA-N -1 1 385.515 2.378 20 0 GEADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)c(-c2nnn[n-]2)s1 ZINC000824130204 608348105 /nfs/dbraw/zinc/34/81/05/608348105.db2.gz IUPSAGOGYYGCQK-VIFPVBQESA-N -1 1 381.483 2.113 20 0 GEADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)c(-c2nn[n-]n2)s1 ZINC000824130204 608348106 /nfs/dbraw/zinc/34/81/06/608348106.db2.gz IUPSAGOGYYGCQK-VIFPVBQESA-N -1 1 381.483 2.113 20 0 GEADMM CC(C)(C)c1cc(NC(=O)CC2(CS(C)(=O)=O)CC2)c(-c2nnn[n-]2)s1 ZINC000824131195 608348389 /nfs/dbraw/zinc/34/83/89/608348389.db2.gz WTBFIECCNAKAMP-UHFFFAOYSA-N -1 1 397.526 2.379 20 0 GEADMM CC(C)(C)c1cc(NC(=O)CC2(CS(C)(=O)=O)CC2)c(-c2nn[n-]n2)s1 ZINC000824131195 608348390 /nfs/dbraw/zinc/34/83/90/608348390.db2.gz WTBFIECCNAKAMP-UHFFFAOYSA-N -1 1 397.526 2.379 20 0 GEADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000825133010 608351488 /nfs/dbraw/zinc/35/14/88/608351488.db2.gz HCOQQDMHCPYRSH-CQSZACIVSA-N -1 1 396.455 2.024 20 0 GEADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825133010 608351490 /nfs/dbraw/zinc/35/14/90/608351490.db2.gz HCOQQDMHCPYRSH-CQSZACIVSA-N -1 1 396.455 2.024 20 0 GEADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(OCc2ccccc2)c1 ZINC000826502801 608433416 /nfs/dbraw/zinc/43/34/16/608433416.db2.gz KUFJGRJYYDANIT-SFHVURJKSA-N -1 1 389.419 2.381 20 0 GEADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(OCc2ccccc2)c1 ZINC000826502801 608433418 /nfs/dbraw/zinc/43/34/18/608433418.db2.gz KUFJGRJYYDANIT-SFHVURJKSA-N -1 1 389.419 2.381 20 0 GEADMM O[C@H](CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC000826502461 608436128 /nfs/dbraw/zinc/43/61/28/608436128.db2.gz DBICXBLVGNREPG-MRXNPFEDSA-N -1 1 379.449 2.458 20 0 GEADMM O[C@H](CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC000826502461 608436129 /nfs/dbraw/zinc/43/61/29/608436129.db2.gz DBICXBLVGNREPG-MRXNPFEDSA-N -1 1 379.449 2.458 20 0 GEADMM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826408272 608472594 /nfs/dbraw/zinc/47/25/94/608472594.db2.gz YGFATYZIXKGFHQ-UHFFFAOYSA-N -1 1 376.376 2.397 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000826280672 608541251 /nfs/dbraw/zinc/54/12/51/608541251.db2.gz LNLUKHNDOXIGOQ-KRWDZBQOSA-N -1 1 383.431 2.195 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000826280055 608544304 /nfs/dbraw/zinc/54/43/04/608544304.db2.gz MGCNWZMRYOYISR-UHFFFAOYSA-N -1 1 384.488 2.171 20 0 GEADMM CCc1ccc([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825704645 608556374 /nfs/dbraw/zinc/55/63/74/608556374.db2.gz LKVQXNYGJJPNOY-ZDUSSCGKSA-N -1 1 396.499 2.319 20 0 GEADMM CCc1ccc([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825704645 608556375 /nfs/dbraw/zinc/55/63/75/608556375.db2.gz LKVQXNYGJJPNOY-ZDUSSCGKSA-N -1 1 396.499 2.319 20 0 GEADMM COCCCOCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826156588 608590835 /nfs/dbraw/zinc/59/08/35/608590835.db2.gz LCHBXTBGJMWXRQ-UHFFFAOYSA-N -1 1 387.465 2.265 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000826328007 608601127 /nfs/dbraw/zinc/60/11/27/608601127.db2.gz CHUUGFBFIIIVDR-CYBMUJFWSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000826328007 608601130 /nfs/dbraw/zinc/60/11/30/608601130.db2.gz CHUUGFBFIIIVDR-CYBMUJFWSA-N -1 1 382.472 2.154 20 0 GEADMM O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473340 608640928 /nfs/dbraw/zinc/64/09/28/608640928.db2.gz UESALXRKJCTFAC-UHFFFAOYSA-N -1 1 390.806 2.210 20 0 GEADMM O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473340 608640929 /nfs/dbraw/zinc/64/09/29/608640929.db2.gz UESALXRKJCTFAC-UHFFFAOYSA-N -1 1 390.806 2.210 20 0 GEADMM Cc1ccc(CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826286534 608672038 /nfs/dbraw/zinc/67/20/38/608672038.db2.gz GJXFYHJJXUBTSM-UHFFFAOYSA-N -1 1 382.493 2.124 20 0 GEADMM c1cc(-c2nn[n-]n2)sc1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC000826521234 608729745 /nfs/dbraw/zinc/72/97/45/608729745.db2.gz FQFXSFRTCHAEJM-UHFFFAOYSA-N -1 1 392.492 2.321 20 0 GEADMM O=C1NCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000826482663 608742364 /nfs/dbraw/zinc/74/23/64/608742364.db2.gz MSHBHXQSPSUFIZ-AWEZNQCLSA-N -1 1 392.341 2.152 20 0 GEADMM O=C1NCCN(Cc2ccc(-c3nn[n-]n3)o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000826482663 608742368 /nfs/dbraw/zinc/74/23/68/608742368.db2.gz MSHBHXQSPSUFIZ-AWEZNQCLSA-N -1 1 392.341 2.152 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826472540 608824184 /nfs/dbraw/zinc/82/41/84/608824184.db2.gz NSVPUYIFIBLNAB-SKDRFNHKSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826472540 608824186 /nfs/dbraw/zinc/82/41/86/608824186.db2.gz NSVPUYIFIBLNAB-SKDRFNHKSA-N -1 1 377.376 2.155 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(Cl)ccc1F ZINC000824999745 608839578 /nfs/dbraw/zinc/83/95/78/608839578.db2.gz JBFKGKBXHCIZAK-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(Cl)ccc1F ZINC000824999745 608839581 /nfs/dbraw/zinc/83/95/81/608839581.db2.gz JBFKGKBXHCIZAK-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM CN(Cc1ccc(-c2nnn[n-]2)o1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000825961563 608846280 /nfs/dbraw/zinc/84/62/80/608846280.db2.gz IHUHFJJZLMXWIS-LBPRGKRZSA-N -1 1 379.829 2.074 20 0 GEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000825961563 608846282 /nfs/dbraw/zinc/84/62/82/608846282.db2.gz IHUHFJJZLMXWIS-LBPRGKRZSA-N -1 1 379.829 2.074 20 0 GEADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)n1ccnc1-c1nnn[n-]1 ZINC000825560643 608887294 /nfs/dbraw/zinc/88/72/94/608887294.db2.gz URIGTCXJJCZWFO-VIFPVBQESA-N -1 1 389.441 2.064 20 0 GEADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)n1ccnc1-c1nn[n-]n1 ZINC000825560643 608887295 /nfs/dbraw/zinc/88/72/95/608887295.db2.gz URIGTCXJJCZWFO-VIFPVBQESA-N -1 1 389.441 2.064 20 0 GEADMM Cc1onc(-c2ccccc2)c1-c1nnc(Cn2ccnc2-c2nnn[n-]2)o1 ZINC000826342854 608888670 /nfs/dbraw/zinc/88/86/70/608888670.db2.gz CKQIWXJBSVZYQU-UHFFFAOYSA-N -1 1 375.352 2.125 20 0 GEADMM Cc1onc(-c2ccccc2)c1-c1nnc(Cn2ccnc2-c2nn[n-]n2)o1 ZINC000826342854 608888673 /nfs/dbraw/zinc/88/86/73/608888673.db2.gz CKQIWXJBSVZYQU-UHFFFAOYSA-N -1 1 375.352 2.125 20 0 GEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(F)(F)F)cc1 ZINC000826188897 609139293 /nfs/dbraw/zinc/13/92/93/609139293.db2.gz JNQSCXKTMKWSER-CYBMUJFWSA-N -1 1 378.314 2.304 20 0 GEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(F)(F)F)cc1 ZINC000826188897 609139294 /nfs/dbraw/zinc/13/92/94/609139294.db2.gz JNQSCXKTMKWSER-CYBMUJFWSA-N -1 1 378.314 2.304 20 0 GEADMM C[C@@H]1CC(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C[C@@H](C)C1 ZINC000824873981 609147054 /nfs/dbraw/zinc/14/70/54/609147054.db2.gz AQYVAPJBALDTOQ-STQMWFEESA-N -1 1 399.499 2.453 20 0 GEADMM COCc1noc(CSc2nc(C)cc(C(F)(F)F)c2-c2nn[n-]n2)n1 ZINC000826165555 609173941 /nfs/dbraw/zinc/17/39/41/609173941.db2.gz ACFAGODDRKZSHS-UHFFFAOYSA-N -1 1 387.347 2.411 20 0 GEADMM Cn1cc(-c2nc([C@@H]3CCCCCN3Cc3ccc(-c4nnn[n-]4)o3)no2)cn1 ZINC000826356432 609176424 /nfs/dbraw/zinc/17/64/24/609176424.db2.gz QLHFYOIEEOWASM-AWEZNQCLSA-N -1 1 395.427 2.361 20 0 GEADMM Cn1cc(-c2nc([C@@H]3CCCCCN3Cc3ccc(-c4nn[n-]n4)o3)no2)cn1 ZINC000826356432 609176426 /nfs/dbraw/zinc/17/64/26/609176426.db2.gz QLHFYOIEEOWASM-AWEZNQCLSA-N -1 1 395.427 2.361 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1C1CCOCC1 ZINC000826494492 609183120 /nfs/dbraw/zinc/18/31/20/609183120.db2.gz DXKJOLBOHADQGR-AWEZNQCLSA-N -1 1 397.888 2.100 20 0 GEADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1ccc(F)cc1 ZINC000826260650 609261823 /nfs/dbraw/zinc/26/18/23/609261823.db2.gz YZEHJRHMQFPXGD-UHFFFAOYSA-N -1 1 379.355 2.458 20 0 GEADMM Cc1onc(CC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826345565 609264359 /nfs/dbraw/zinc/26/43/59/609264359.db2.gz NWDCPFPQAFVPEA-SECBINFHSA-N -1 1 394.357 2.472 20 0 GEADMM Cc1onc(CC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826345565 609264360 /nfs/dbraw/zinc/26/43/60/609264360.db2.gz NWDCPFPQAFVPEA-SECBINFHSA-N -1 1 394.357 2.472 20 0 GEADMM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431307 609267422 /nfs/dbraw/zinc/26/74/22/609267422.db2.gz XMXGKGMPKUBZFE-HNNXBMFYSA-N -1 1 378.440 2.381 20 0 GEADMM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431307 609267423 /nfs/dbraw/zinc/26/74/23/609267423.db2.gz XMXGKGMPKUBZFE-HNNXBMFYSA-N -1 1 378.440 2.381 20 0 GEADMM C[C@H]1CCC[C@H](C)N1C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824929118 609278727 /nfs/dbraw/zinc/27/87/27/609278727.db2.gz VZXSWALPKWUCTM-STQMWFEESA-N -1 1 398.446 2.393 20 0 GEADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1CCCCC1 ZINC000826414423 609280100 /nfs/dbraw/zinc/28/01/00/609280100.db2.gz VMHRVHSYCCEYGB-UHFFFAOYSA-N -1 1 384.419 2.052 20 0 GEADMM Cc1cc2c(cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)OCO2 ZINC000826273349 609284384 /nfs/dbraw/zinc/28/43/84/609284384.db2.gz ZUMUAYCSPAIKGO-UHFFFAOYSA-N -1 1 396.407 2.193 20 0 GEADMM CCc1cccnc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825728401 609288964 /nfs/dbraw/zinc/28/89/64/609288964.db2.gz OIQYXZYDKVWJCM-UHFFFAOYSA-N -1 1 378.371 2.401 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnn2ccccc12 ZINC000826459086 609290044 /nfs/dbraw/zinc/29/00/44/609290044.db2.gz UJJXWMAJNFLJCU-UHFFFAOYSA-N -1 1 389.354 2.092 20 0 GEADMM Cc1cc(C)c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC000826263171 609291096 /nfs/dbraw/zinc/29/10/96/609291096.db2.gz OGHOGVYZNRVJCY-UHFFFAOYSA-N -1 1 394.370 2.161 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCC1CCCCC1 ZINC000825930701 609299121 /nfs/dbraw/zinc/29/91/21/609299121.db2.gz WSMZTRWUGSMMCL-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCC1CCCCC1 ZINC000825930701 609299123 /nfs/dbraw/zinc/29/91/23/609299123.db2.gz WSMZTRWUGSMMCL-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM CCCCCC[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825271851 609299232 /nfs/dbraw/zinc/29/92/32/609299232.db2.gz PEUNUSIKZQKKKB-GFCCVEGCSA-N -1 1 377.497 2.105 20 0 GEADMM CCCCCC[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825271851 609299233 /nfs/dbraw/zinc/29/92/33/609299233.db2.gz PEUNUSIKZQKKKB-GFCCVEGCSA-N -1 1 377.497 2.105 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2cc[nH]c2n1 ZINC000826458196 609313634 /nfs/dbraw/zinc/31/36/34/609313634.db2.gz HNXVCGIJOWHOPE-UHFFFAOYSA-N -1 1 389.354 2.320 20 0 GEADMM Cc1nn(C)c(Cl)c1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826333976 609322652 /nfs/dbraw/zinc/32/26/52/609322652.db2.gz BRXGUVKAFNYUME-UHFFFAOYSA-N -1 1 387.810 2.499 20 0 GEADMM CCOCCN(CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825595272 609362964 /nfs/dbraw/zinc/36/29/64/609362964.db2.gz WXCFFJZZVRGWHA-UHFFFAOYSA-N -1 1 388.407 2.082 20 0 GEADMM CC[C@H](CSC)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825125144 609363460 /nfs/dbraw/zinc/36/34/60/609363460.db2.gz ACKWCXSKUZNAFM-SNVBAGLBSA-N -1 1 390.448 2.455 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCC(F)(F)C1 ZINC000826458535 609365332 /nfs/dbraw/zinc/36/53/32/609365332.db2.gz UGPBIDSZLKLXOD-UHFFFAOYSA-N -1 1 378.318 2.064 20 0 GEADMM CN(C)c1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)ccn1 ZINC000825875504 609435371 /nfs/dbraw/zinc/43/53/71/609435371.db2.gz RDHYFQIFCLEELP-UHFFFAOYSA-N -1 1 381.827 2.344 20 0 GEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824908399 609586632 /nfs/dbraw/zinc/58/66/32/609586632.db2.gz OMZNQCOUFHGSTK-IUCAKERBSA-N -1 1 393.366 2.357 20 0 GEADMM Cc1cc(CNC(=O)c2ccc(Br)cc2[O-])ccc1S(N)(=O)=O ZINC000446725742 649987628 /nfs/dbraw/zinc/98/76/28/649987628.db2.gz IWTAHVMOBGLKMT-UHFFFAOYSA-N -1 1 399.266 2.041 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1N1CCNC1=O ZINC000447273697 650004587 /nfs/dbraw/zinc/00/45/87/650004587.db2.gz WXFYBTIQNJJEMM-UHFFFAOYSA-N -1 1 381.435 2.085 20 0 GEADMM O=C(CS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)NCc1cccs1 ZINC000447500245 650007076 /nfs/dbraw/zinc/00/70/76/650007076.db2.gz SGIFXDDBPSVUBW-UHFFFAOYSA-N -1 1 379.438 2.367 20 0 GEADMM O=C(CS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1)NCc1cccs1 ZINC000447500245 650007078 /nfs/dbraw/zinc/00/70/78/650007078.db2.gz SGIFXDDBPSVUBW-UHFFFAOYSA-N -1 1 379.438 2.367 20 0 GEADMM Cc1csc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])c1 ZINC000449153459 650033482 /nfs/dbraw/zinc/03/34/82/650033482.db2.gz KAENPJDSFZGCSN-UHFFFAOYSA-N -1 1 382.463 2.035 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cnc1C(F)F ZINC000451015975 650080516 /nfs/dbraw/zinc/08/05/16/650080516.db2.gz QEQOVNPEFLCTDL-UHFFFAOYSA-N -1 1 394.293 2.375 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccoc2)c(F)c1 ZINC000451118203 650088736 /nfs/dbraw/zinc/08/87/36/650088736.db2.gz WZZMJSVJPFLRJY-UHFFFAOYSA-N -1 1 376.431 2.049 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C)c(F)c1 ZINC000451276906 650100109 /nfs/dbraw/zinc/10/01/09/650100109.db2.gz PUMUGIOCBJUOJT-VXGBXAGGSA-N -1 1 378.491 2.396 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C1CCOCC1 ZINC000451355654 650106923 /nfs/dbraw/zinc/10/69/23/650106923.db2.gz VPJHJMURSIMZBT-KBPBESRZSA-N -1 1 383.457 2.090 20 0 GEADMM COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1=O ZINC000451315366 650103286 /nfs/dbraw/zinc/10/32/86/650103286.db2.gz YAWJGNGQJZXKFE-LLVKDONJSA-N -1 1 386.882 2.494 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000451355988 650106797 /nfs/dbraw/zinc/10/67/97/650106797.db2.gz WLNFQLKZYLTELX-NURSFMCSSA-N -1 1 379.837 2.180 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC=C(F)C2)c(F)c1 ZINC000451383834 650109480 /nfs/dbraw/zinc/10/94/80/650109480.db2.gz MJXKEPJEKRPRQA-UHFFFAOYSA-N -1 1 380.438 2.225 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)[C@H]1CCCOC1 ZINC000451386057 650109980 /nfs/dbraw/zinc/10/99/80/650109980.db2.gz VHBXKXTZEPPMIC-MELADBBJSA-N -1 1 383.457 2.090 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC=C(C)C2)c(F)c1 ZINC000451497173 650121127 /nfs/dbraw/zinc/12/11/27/650121127.db2.gz VSPCOOUAPYEXLG-UHFFFAOYSA-N -1 1 376.475 2.318 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCSC(C)C)c(F)c1 ZINC000451571267 650126503 /nfs/dbraw/zinc/12/65/03/650126503.db2.gz PYPPBKQWHDWCPR-UHFFFAOYSA-N -1 1 398.547 2.397 20 0 GEADMM COC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(Cl)cc1 ZINC000451813739 650144462 /nfs/dbraw/zinc/14/44/62/650144462.db2.gz SNIRGMFNWYEWNA-CYBMUJFWSA-N -1 1 387.841 2.428 20 0 GEADMM CC/C=C/CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000451772025 650141180 /nfs/dbraw/zinc/14/11/80/650141180.db2.gz ISQIUHKZWSPMDZ-VOTSOKGWSA-N -1 1 376.500 2.091 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCOCC1 ZINC000451943633 650155930 /nfs/dbraw/zinc/15/59/30/650155930.db2.gz KOYDYOCVZKHUFM-UHFFFAOYSA-N -1 1 386.228 2.133 20 0 GEADMM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000451951976 650157264 /nfs/dbraw/zinc/15/72/64/650157264.db2.gz FHXBQHYGWMELFA-LURJTMIESA-N -1 1 387.658 2.045 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000451957385 650157715 /nfs/dbraw/zinc/15/77/15/650157715.db2.gz ASZFPALSQBGNAR-SNVBAGLBSA-N -1 1 375.324 2.449 20 0 GEADMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000452061298 650170433 /nfs/dbraw/zinc/17/04/33/650170433.db2.gz UCIFSZUCPJCNMS-SVRRBLITSA-N -1 1 399.669 2.174 20 0 GEADMM CC[C@@H](C)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC ZINC000452406716 650184780 /nfs/dbraw/zinc/18/47/80/650184780.db2.gz LYCYRNDSRQKKFR-ZWNOBZJWSA-N -1 1 397.324 2.449 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](COC)c2ccc(Cl)cc2)o1 ZINC000452743289 650195279 /nfs/dbraw/zinc/19/52/79/650195279.db2.gz ARPWYGWMHDQWBT-LBPRGKRZSA-N -1 1 386.857 2.001 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)N1CCCCC1 ZINC000500586574 650380948 /nfs/dbraw/zinc/38/09/48/650380948.db2.gz DKXIDNPELFEYOM-SNVBAGLBSA-N -1 1 393.278 2.268 20 0 GEADMM Cc1c(Cl)cncc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000457705067 650382954 /nfs/dbraw/zinc/38/29/54/650382954.db2.gz YVWQLPBHDLSHKR-UHFFFAOYSA-N -1 1 381.841 2.442 20 0 GEADMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502426463 650406097 /nfs/dbraw/zinc/40/60/97/650406097.db2.gz JKLVTXQKKKLFNQ-ZCFIWIBFSA-N -1 1 387.658 2.045 20 0 GEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000506600266 650447234 /nfs/dbraw/zinc/44/72/34/650447234.db2.gz JROYJRAYCIHXDN-XMMPIXPASA-N -1 1 381.475 2.330 20 0 GEADMM Cn1[n-]cc2c(=NS(=O)(=O)CCc3ccccc3Br)ccnc1-2 ZINC000461108567 650449228 /nfs/dbraw/zinc/44/92/28/650449228.db2.gz NGDUDWKCFCSCQW-UHFFFAOYSA-N -1 1 395.282 2.089 20 0 GEADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000461114549 650449310 /nfs/dbraw/zinc/44/93/10/650449310.db2.gz SJLFSZLRRTWOTQ-QFIPXVFZSA-N -1 1 375.903 2.370 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccc(OC)cc2)c1 ZINC000461464513 650454647 /nfs/dbraw/zinc/45/46/47/650454647.db2.gz ROGZVBJGKXMDEP-UHFFFAOYSA-N -1 1 382.463 2.040 20 0 GEADMM CC(C)(NC(=O)c1cc(Cl)ccc1I)c1nn[n-]n1 ZINC000461634501 650457569 /nfs/dbraw/zinc/45/75/69/650457569.db2.gz MRZAJGVGXXZLEX-UHFFFAOYSA-N -1 1 391.600 2.123 20 0 GEADMM CCCOc1c(Br)cc(C(=O)NC(C)(C)c2nn[n-]n2)cc1OC ZINC000461636976 650457834 /nfs/dbraw/zinc/45/78/34/650457834.db2.gz 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ZINC000509732753 650499742 /nfs/dbraw/zinc/49/97/42/650499742.db2.gz DEGNTBXTQSQRFS-NSHDSACASA-N -1 1 397.254 2.423 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ncccc1O ZINC000509737677 650499787 /nfs/dbraw/zinc/49/97/87/650499787.db2.gz XTQZFDHTIXVBFP-UHFFFAOYSA-N -1 1 391.232 2.359 20 0 GEADMM COc1ccc(NC(=O)NCc2nc(C)c(C)s2)cc1[N-]S(C)(=O)=O ZINC000466962997 650499976 /nfs/dbraw/zinc/49/99/76/650499976.db2.gz YTFLAQJXOULROS-UHFFFAOYSA-N -1 1 384.483 2.462 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000509966729 650504663 /nfs/dbraw/zinc/50/46/63/650504663.db2.gz BVVOZSYYSSODDA-SCZZXKLOSA-N -1 1 382.265 2.219 20 0 GEADMM O=S(=O)([N-]CCn1cc(Br)cn1)c1ccc(F)c(F)c1F ZINC000511432684 650537140 /nfs/dbraw/zinc/53/71/40/650537140.db2.gz ZWPGLZOSDOIFOV-UHFFFAOYSA-N -1 1 384.177 2.041 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cn1 ZINC000475795553 650538896 /nfs/dbraw/zinc/53/88/96/650538896.db2.gz WLCKDTCLUSTMSY-UHFFFAOYSA-N -1 1 398.359 2.444 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1C ZINC000475811122 650540004 /nfs/dbraw/zinc/54/00/04/650540004.db2.gz PQXFTAPPXVUPTO-UHFFFAOYSA-N -1 1 384.479 2.021 20 0 GEADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000511694604 650541270 /nfs/dbraw/zinc/54/12/70/650541270.db2.gz DFCZJYOCTGQBRE-UHFFFAOYSA-N -1 1 384.479 2.060 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)[n-]1 ZINC000512608540 650551609 /nfs/dbraw/zinc/55/16/09/650551609.db2.gz USHDJSYLKHJLFS-UHFFFAOYSA-N -1 1 389.871 2.299 20 0 GEADMM CS(=O)(=O)c1nc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)n[n-]1 ZINC000512608540 650551612 /nfs/dbraw/zinc/55/16/12/650551612.db2.gz USHDJSYLKHJLFS-UHFFFAOYSA-N -1 1 389.871 2.299 20 0 GEADMM CSc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1 ZINC000476768608 650559397 /nfs/dbraw/zinc/55/93/97/650559397.db2.gz WBDNCDSBVDCALV-UHFFFAOYSA-N -1 1 396.479 2.036 20 0 GEADMM CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1=O ZINC000513813381 650569294 /nfs/dbraw/zinc/56/92/94/650569294.db2.gz CJAZEEVFHOXFNW-UHFFFAOYSA-N -1 1 388.804 2.005 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCOc2ncc(Cl)cc2Cl)c1 ZINC000513848562 650570345 /nfs/dbraw/zinc/57/03/45/650570345.db2.gz JMLUIJALEWMUBX-UHFFFAOYSA-N -1 1 395.220 2.125 20 0 GEADMM C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(Br)cn1 ZINC000477790735 650578894 /nfs/dbraw/zinc/57/88/94/650578894.db2.gz KGJASUARDKYWLF-QMMMGPOBSA-N -1 1 376.214 2.322 20 0 GEADMM CCn1cnnc1CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000515021236 650584687 /nfs/dbraw/zinc/58/46/87/650584687.db2.gz YPIWCVXJRTZXKO-UHFFFAOYSA-N -1 1 376.214 2.244 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000515633924 650593236 /nfs/dbraw/zinc/59/32/36/650593236.db2.gz KJOOVWJGEZHIGR-UHFFFAOYSA-N -1 1 377.447 2.143 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccccc2Cl)c(F)c1 ZINC000516330975 650596401 /nfs/dbraw/zinc/59/64/01/650596401.db2.gz CGBMXWZQUMYPMC-UHFFFAOYSA-N -1 1 392.861 2.329 20 0 GEADMM COC[C@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)C(F)(F)F ZINC000479151611 650597620 /nfs/dbraw/zinc/59/76/20/650597620.db2.gz GMYTUITZAMVCLZ-LBPRGKRZSA-N -1 1 389.779 2.372 20 0 GEADMM O=S(=O)([N-]Cc1noc(C2CC2)n1)c1cc(Br)c(F)cc1F ZINC000479516479 650605344 /nfs/dbraw/zinc/60/53/44/650605344.db2.gz LWLNZTWWHHKDPL-UHFFFAOYSA-N -1 1 394.197 2.466 20 0 GEADMM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1F ZINC000480265666 650618604 /nfs/dbraw/zinc/61/86/04/650618604.db2.gz NHEWUEIKQGJBKQ-UHFFFAOYSA-N -1 1 391.421 2.312 20 0 GEADMM C[C@H](Oc1ccc(Br)cc1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522853880 650628723 /nfs/dbraw/zinc/62/87/23/650628723.db2.gz KBTGEFWIOXELKL-JTQLQIEISA-N -1 1 380.246 2.315 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C(=O)OC)s1 ZINC000522598696 650626338 /nfs/dbraw/zinc/62/63/38/650626338.db2.gz SQAKKUKYDDUJCO-UHFFFAOYSA-N -1 1 391.373 2.400 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nccs1 ZINC000524123068 650638643 /nfs/dbraw/zinc/63/86/43/650638643.db2.gz KGZWLUIEEFKFFH-LLVKDONJSA-N -1 1 393.487 2.083 20 0 GEADMM CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000481210818 650640920 /nfs/dbraw/zinc/64/09/20/650640920.db2.gz FSTHBYQSTSIWBD-QMMMGPOBSA-N -1 1 392.396 2.159 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(C)cn(C)c2=O)cc1Cl ZINC000481611951 650650877 /nfs/dbraw/zinc/65/08/77/650650877.db2.gz LWMIEQXJIGKRIR-UHFFFAOYSA-N -1 1 387.820 2.245 20 0 GEADMM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Br)cc1 ZINC000485204006 650694150 /nfs/dbraw/zinc/69/41/50/650694150.db2.gz DTIYSTKAJRBXSD-ZDUSSCGKSA-N -1 1 375.182 2.276 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)c2cccc(OC(F)(F)F)c2)o1 ZINC000485566516 650697246 /nfs/dbraw/zinc/69/72/46/650697246.db2.gz IHRDNXBFDGCVSV-UHFFFAOYSA-N -1 1 378.328 2.363 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1F ZINC000486570167 650715807 /nfs/dbraw/zinc/71/58/07/650715807.db2.gz CTOAVHPQRJOYBO-UHFFFAOYSA-N -1 1 387.389 2.045 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000486684047 650718924 /nfs/dbraw/zinc/71/89/24/650718924.db2.gz QVRSKVJEYAVCJI-JTQLQIEISA-N -1 1 386.417 2.053 20 0 GEADMM CCc1nc(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cs1 ZINC000530856461 650729735 /nfs/dbraw/zinc/72/97/35/650729735.db2.gz YVBHCLCRZJUVQH-UHFFFAOYSA-N -1 1 384.483 2.407 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)c1ccco1 ZINC000530857019 650729787 /nfs/dbraw/zinc/72/97/87/650729787.db2.gz GILYBXPTWUPQBG-ZDUSSCGKSA-N -1 1 384.841 2.484 20 0 GEADMM CSc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000024225515 642417529 /nfs/dbraw/zinc/41/75/29/642417529.db2.gz QNMHIPLSDLXJQL-UHFFFAOYSA-N -1 1 386.520 2.460 20 0 GEADMM CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000029570260 642465448 /nfs/dbraw/zinc/46/54/48/642465448.db2.gz YBTIPSRNNUATDF-NSHDSACASA-N -1 1 380.495 2.471 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCc1ccccc1 ZINC000029938165 642471884 /nfs/dbraw/zinc/47/18/84/642471884.db2.gz VAFMCSGLZGSEQZ-UHFFFAOYSA-N -1 1 384.797 2.270 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1S(N)(=O)=O ZINC000031666633 642488580 /nfs/dbraw/zinc/48/85/80/642488580.db2.gz FEVRMGGSGQIRRV-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000038695035 642518348 /nfs/dbraw/zinc/51/83/48/642518348.db2.gz IEMLKRXJLMFPQT-UHFFFAOYSA-N -1 1 382.463 2.036 20 0 GEADMM COc1ccc(NC(=O)Cc2sc(=S)[nH]c2C)cc1[N-]S(C)(=O)=O ZINC000044036448 642567789 /nfs/dbraw/zinc/56/77/89/642567789.db2.gz WJNALZQURBMQAN-UHFFFAOYSA-N -1 1 387.508 2.302 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC2CCC2)c(OC)c1 ZINC000534178584 650770170 /nfs/dbraw/zinc/77/01/70/650770170.db2.gz XIDCUZRRKQTHGB-UHFFFAOYSA-N -1 1 390.527 2.268 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)o1 ZINC000046315304 642609895 /nfs/dbraw/zinc/60/98/95/642609895.db2.gz PVKKVLSBGOYHQM-QMMMGPOBSA-N -1 1 383.407 2.217 20 0 GEADMM Cn1c(=O)c(C[N-]S(=O)(=O)c2ccc(Br)o2)cc2ccccc21 ZINC000490327829 650771451 /nfs/dbraw/zinc/77/14/51/650771451.db2.gz QYWXGTRMJYQETO-UHFFFAOYSA-N -1 1 397.250 2.373 20 0 GEADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000047251260 642625024 /nfs/dbraw/zinc/62/50/24/642625024.db2.gz MGKPJRMTLCABCF-UHFFFAOYSA-N -1 1 396.277 2.410 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)o1 ZINC000048242345 642647881 /nfs/dbraw/zinc/64/78/81/642647881.db2.gz HECCAPUBFIFISJ-UHFFFAOYSA-N -1 1 399.266 2.369 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cccc(OC(F)(F)F)c2)co1 ZINC000534420312 650774908 /nfs/dbraw/zinc/77/49/08/650774908.db2.gz HPVSDDAQOOQYND-UHFFFAOYSA-N -1 1 378.328 2.363 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000534905842 650782024 /nfs/dbraw/zinc/78/20/24/650782024.db2.gz GQDBGHRCOKIKEX-JTQLQIEISA-N -1 1 375.315 2.322 20 0 GEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051695120 642702853 /nfs/dbraw/zinc/70/28/53/642702853.db2.gz AWPYRORJXSUHQV-YPMHNXCESA-N -1 1 388.511 2.314 20 0 GEADMM O=C(COC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)N[N-]C(=O)c1cccs1 ZINC000051797763 642704723 /nfs/dbraw/zinc/70/47/23/642704723.db2.gz PEHDGWHWCHUDSS-VHSXEESVSA-N -1 1 378.372 2.421 20 0 GEADMM O=C(COC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)N[N-]C(=O)c1cccs1 ZINC000051797761 642704892 /nfs/dbraw/zinc/70/48/92/642704892.db2.gz PEHDGWHWCHUDSS-NXEZZACHSA-N -1 1 378.372 2.421 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000055633008 642776152 /nfs/dbraw/zinc/77/61/52/642776152.db2.gz KTKZVVUUJYRYLG-UHFFFAOYSA-N -1 1 390.870 2.187 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(c3nc4ccccc4s3)C2)co1 ZINC000535151786 650786202 /nfs/dbraw/zinc/78/62/02/650786202.db2.gz WHQMQZGBNYMDKG-UHFFFAOYSA-N -1 1 377.447 2.037 20 0 GEADMM CCOC(=O)c1ccsc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060863453 642839064 /nfs/dbraw/zinc/83/90/64/642839064.db2.gz YOIWHSTWICCGLP-XFFZJAGNSA-N -1 1 381.479 2.120 20 0 GEADMM NS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1Cl ZINC000062930685 642851462 /nfs/dbraw/zinc/85/14/62/642851462.db2.gz VCBDVRUCMFYOSS-UHFFFAOYSA-N -1 1 381.262 2.442 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000062930549 642851479 /nfs/dbraw/zinc/85/14/79/642851479.db2.gz KAGXQTSJIAGRHS-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000535882338 650792127 /nfs/dbraw/zinc/79/21/27/650792127.db2.gz FVSWVUUWUNNXDB-UHFFFAOYSA-N -1 1 385.829 2.442 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2OCCOC)o1 ZINC000066345282 642910516 /nfs/dbraw/zinc/91/05/16/642910516.db2.gz AKZDZYGWPZEXJT-UHFFFAOYSA-N -1 1 388.829 2.119 20 0 GEADMM CCn1c(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)n[n-]c1=S ZINC000066636416 642928904 /nfs/dbraw/zinc/92/89/04/642928904.db2.gz GGJHDGWFKSCXNC-OAHLLOKOSA-N -1 1 377.539 2.367 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)o1 ZINC000067071122 642962194 /nfs/dbraw/zinc/96/21/94/642962194.db2.gz ZUNCNHUNUTZONG-UHFFFAOYSA-N -1 1 383.451 2.214 20 0 GEADMM COc1ccccc1NCC(=O)NNC(=O)c1ccc(Br)cc1[O-] ZINC000068421366 642995623 /nfs/dbraw/zinc/99/56/23/642995623.db2.gz MVYOTMNTSLTCDA-UHFFFAOYSA-N -1 1 394.225 2.036 20 0 GEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000069147965 643021651 /nfs/dbraw/zinc/02/16/51/643021651.db2.gz AYBMUNISMKGCQH-UHFFFAOYSA-N -1 1 383.491 2.221 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000094100397 643086938 /nfs/dbraw/zinc/08/69/38/643086938.db2.gz WKGLKEAHPDWUHT-CYBMUJFWSA-N -1 1 399.310 2.335 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCCc2nc3ccccc3s2)n1 ZINC000101664422 643114004 /nfs/dbraw/zinc/11/40/04/643114004.db2.gz VNRXQKCUGSEHMC-UHFFFAOYSA-N -1 1 379.467 2.169 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)CCCCc2nc3ccccc3s2)[n-]1 ZINC000101664422 643114008 /nfs/dbraw/zinc/11/40/08/643114008.db2.gz VNRXQKCUGSEHMC-UHFFFAOYSA-N -1 1 379.467 2.169 20 0 GEADMM O=C(Nc1nn[n-]n1)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000102895149 643143773 /nfs/dbraw/zinc/14/37/73/643143773.db2.gz SOHCVMPTGWESQM-UHFFFAOYSA-N -1 1 388.229 2.279 20 0 GEADMM CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932646 643146676 /nfs/dbraw/zinc/14/66/76/643146676.db2.gz LSNQZKIALDAVLA-FZMZJTMJSA-N -1 1 378.491 2.444 20 0 GEADMM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000102932756 643146820 /nfs/dbraw/zinc/14/68/20/643146820.db2.gz DZAGPZCTLSCLKG-NWDGAFQWSA-N -1 1 378.491 2.302 20 0 GEADMM CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932650 643146970 /nfs/dbraw/zinc/14/69/70/643146970.db2.gz LSNQZKIALDAVLA-BXUZGUMPSA-N -1 1 378.491 2.444 20 0 GEADMM O=S(=O)(CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000105619279 643212048 /nfs/dbraw/zinc/21/20/48/643212048.db2.gz JXUAIZBMZXJHRO-UHFFFAOYSA-N -1 1 393.408 2.246 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)n1 ZINC000111588238 643342241 /nfs/dbraw/zinc/34/22/41/643342241.db2.gz SQFVXGJANQICCV-YUMQZZPRSA-N -1 1 375.237 2.257 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)[n-]1 ZINC000111588238 643342244 /nfs/dbraw/zinc/34/22/44/643342244.db2.gz SQFVXGJANQICCV-YUMQZZPRSA-N -1 1 375.237 2.257 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 ZINC000538951235 650839696 /nfs/dbraw/zinc/83/96/96/650839696.db2.gz IBRGCHVDTYCDMG-UHFFFAOYSA-N -1 1 382.825 2.295 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(OCc3cccs3)c2)n1 ZINC000116206281 643454386 /nfs/dbraw/zinc/45/43/86/643454386.db2.gz NLBIUOULJBVJAJ-UHFFFAOYSA-N -1 1 378.435 2.101 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2cccc(OCc3cccs3)c2)[n-]1 ZINC000116206281 643454393 /nfs/dbraw/zinc/45/43/93/643454393.db2.gz NLBIUOULJBVJAJ-UHFFFAOYSA-N -1 1 378.435 2.101 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)o1 ZINC000116233229 643455104 /nfs/dbraw/zinc/45/51/04/643455104.db2.gz SSWCNGSOQNHIMH-CQSZACIVSA-N -1 1 380.491 2.426 20 0 GEADMM CC(C)(CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000116763213 643469075 /nfs/dbraw/zinc/46/90/75/643469075.db2.gz LIHBXENJSIHYBN-UHFFFAOYSA-N -1 1 384.263 2.328 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(F)F)c2)o1 ZINC000116838565 643471964 /nfs/dbraw/zinc/47/19/64/643471964.db2.gz QBWBDRPCENYCPN-UHFFFAOYSA-N -1 1 376.385 2.070 20 0 GEADMM Cc1ccn2c(c1)ncc(C(=O)Nc1nc(Br)ccc1[O-])c2=O ZINC000121488156 643633448 /nfs/dbraw/zinc/63/34/48/643633448.db2.gz SBVURMSNPNWZTP-UHFFFAOYSA-N -1 1 375.182 2.118 20 0 GEADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000539953175 650855160 /nfs/dbraw/zinc/85/51/60/650855160.db2.gz OTDVBGRMMDKFML-UHFFFAOYSA-N -1 1 396.368 2.010 20 0 GEADMM NC(=O)c1csc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)n1 ZINC000125823097 643712347 /nfs/dbraw/zinc/71/23/47/643712347.db2.gz XDEPADAQTFISMP-UHFFFAOYSA-N -1 1 394.869 2.455 20 0 GEADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC000125973532 643716734 /nfs/dbraw/zinc/71/67/34/643716734.db2.gz FZHNNENVNLIRIY-UHFFFAOYSA-N -1 1 379.381 2.449 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127165048 643761530 /nfs/dbraw/zinc/76/15/30/643761530.db2.gz HWWWMHJKTXFQEJ-QMMMGPOBSA-N -1 1 399.270 2.246 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(O)c(Br)c2)c1Cl ZINC000127275277 643767617 /nfs/dbraw/zinc/76/76/17/643767617.db2.gz IXKJCBVEFPVKSE-UHFFFAOYSA-N -1 1 380.651 2.020 20 0 GEADMM C[C@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000129210093 643819044 /nfs/dbraw/zinc/81/90/44/643819044.db2.gz FEHJWCPXASXANI-SNVBAGLBSA-N -1 1 386.832 2.391 20 0 GEADMM Cc1ccc(Br)cc1C(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000129402746 643822417 /nfs/dbraw/zinc/82/24/17/643822417.db2.gz MMBSCUKOVXZZHS-UHFFFAOYSA-N -1 1 391.225 2.196 20 0 GEADMM O=C(NCCN1C(=O)Cc2ccccc21)c1ccc(Br)c([O-])c1 ZINC000130539573 643842985 /nfs/dbraw/zinc/84/29/85/643842985.db2.gz SIZQPYLNWFZCEV-UHFFFAOYSA-N -1 1 375.222 2.474 20 0 GEADMM C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000132715978 643885145 /nfs/dbraw/zinc/88/51/45/643885145.db2.gz ZLPFLAXFJDLSDT-NXEZZACHSA-N -1 1 398.236 2.275 20 0 GEADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000146405603 643925316 /nfs/dbraw/zinc/92/53/16/643925316.db2.gz BQOKUILNINNMTN-SECBINFHSA-N -1 1 391.444 2.422 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc2n[nH]cc21 ZINC000499264531 650877936 /nfs/dbraw/zinc/87/79/36/650877936.db2.gz HUSBAWPGJIOFDE-UHFFFAOYSA-N -1 1 379.463 2.384 20 0 GEADMM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000151903977 643959863 /nfs/dbraw/zinc/95/98/63/643959863.db2.gz VPQVBBZAYTZGLI-UHFFFAOYSA-N -1 1 381.262 2.442 20 0 GEADMM Cc1cc(C(=O)[N-]NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)n[nH]1 ZINC000153181417 643978531 /nfs/dbraw/zinc/97/85/31/643978531.db2.gz DTQYTFKHWAAWES-UHFFFAOYSA-N -1 1 390.241 2.274 20 0 GEADMM Cc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000153589559 643995907 /nfs/dbraw/zinc/99/59/07/643995907.db2.gz OCSBTBMGEHNPRE-PHIMTYICSA-N -1 1 379.404 2.079 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(Br)o1 ZINC000153727333 644002702 /nfs/dbraw/zinc/00/27/02/644002702.db2.gz WTVZJUPMGIKYDO-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1nnc2ccccn21)C(C)C ZINC000155668188 644079027 /nfs/dbraw/zinc/07/90/27/644079027.db2.gz BYEIAPFHXOPGJN-GFCCVEGCSA-N -1 1 382.877 2.100 20 0 GEADMM COc1ccc(NNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)nc1 ZINC000159395267 644189247 /nfs/dbraw/zinc/18/92/47/644189247.db2.gz OQMIUHBNLPTIRG-UHFFFAOYSA-N -1 1 389.209 2.451 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2cccc(C(F)(F)F)c2)c1Cl ZINC000161595387 644214099 /nfs/dbraw/zinc/21/40/99/644214099.db2.gz XFMBQOKIJXYMOZ-JTQLQIEISA-N -1 1 383.779 2.104 20 0 GEADMM Cn1[n-]c(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)nc1=O ZINC000543438060 650911893 /nfs/dbraw/zinc/91/18/93/650911893.db2.gz GNJAJCZIEIXIAX-ZDUSSCGKSA-N -1 1 384.267 2.408 20 0 GEADMM O=C([N-]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(F)(F)C(F)F ZINC000175767135 644393567 /nfs/dbraw/zinc/39/35/67/644393567.db2.gz FVZUARVPBSGWLF-UHFFFAOYSA-N -1 1 382.379 2.378 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C)cc2Br)n1 ZINC000176720323 644404569 /nfs/dbraw/zinc/40/45/69/644404569.db2.gz IGHZYBPSSRTIAG-UHFFFAOYSA-N -1 1 387.259 2.170 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000176720414 644404793 /nfs/dbraw/zinc/40/47/93/644404793.db2.gz LBOPXWYPJQBODD-UHFFFAOYSA-N -1 1 391.222 2.001 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000176720601 644404862 /nfs/dbraw/zinc/40/48/62/644404862.db2.gz SQLLCAKITBTBSK-UHFFFAOYSA-N -1 1 391.222 2.001 20 0 GEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)c1 ZINC000543663600 650917785 /nfs/dbraw/zinc/91/77/85/650917785.db2.gz QJXHVCMXNODVIP-UHFFFAOYSA-N -1 1 384.454 2.257 20 0 GEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000543699100 650920335 /nfs/dbraw/zinc/92/03/35/650920335.db2.gz BFIHEGKQXCEYDD-ZDUSSCGKSA-N -1 1 375.841 2.001 20 0 GEADMM COCCn1ccc(NC(=O)c2cc(I)ccc2[O-])n1 ZINC000179470545 644462066 /nfs/dbraw/zinc/46/20/66/644462066.db2.gz CIYGHOLMPSWHTH-UHFFFAOYSA-N -1 1 387.177 2.092 20 0 GEADMM COC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000180379722 644502525 /nfs/dbraw/zinc/50/25/25/644502525.db2.gz NZYJQRITQYJDAO-UHFFFAOYSA-N -1 1 379.232 2.205 20 0 GEADMM O=C([N-]N1CC(=O)NC1=O)c1ccc(-c2ccc(Br)s2)s1 ZINC000180775306 644514745 /nfs/dbraw/zinc/51/47/45/644514745.db2.gz KKTKUQAKALYAMJ-UHFFFAOYSA-N -1 1 386.252 2.436 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c(C)c1F ZINC000543951970 650928746 /nfs/dbraw/zinc/92/87/46/650928746.db2.gz TXSSBEDMWHRGTQ-UHFFFAOYSA-N -1 1 388.442 2.315 20 0 GEADMM CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000544870214 650956725 /nfs/dbraw/zinc/95/67/25/650956725.db2.gz BHXBLEVCXJILFW-VIFPVBQESA-N -1 1 391.205 2.314 20 0 GEADMM CCOc1cc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc(Cl)c1[O-] ZINC000545168393 650963777 /nfs/dbraw/zinc/96/37/77/650963777.db2.gz IPBJKOWZLICARH-UHFFFAOYSA-N -1 1 384.841 2.485 20 0 GEADMM CCc1ccccc1OCC(=O)N[N-]C(=O)c1cccnc1Br ZINC000182577469 644965208 /nfs/dbraw/zinc/96/52/08/644965208.db2.gz BTPLFWDIPNZJRY-UHFFFAOYSA-N -1 1 378.226 2.247 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1Cl ZINC000183260870 644989391 /nfs/dbraw/zinc/98/93/91/644989391.db2.gz XKBQWUZJGIIVLT-SECBINFHSA-N -1 1 393.271 2.423 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)N[N-]C(=O)c1ccc(F)cn1 ZINC000183973956 645006112 /nfs/dbraw/zinc/00/61/12/645006112.db2.gz WPBWULKTLXYJIC-VIFPVBQESA-N -1 1 382.189 2.212 20 0 GEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1ccc(Br)o1 ZINC000545362841 650970828 /nfs/dbraw/zinc/97/08/28/650970828.db2.gz DCTCQKORWFJYGM-UHFFFAOYSA-N -1 1 383.227 2.101 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)N(C)C1CC1 ZINC000184994440 645030311 /nfs/dbraw/zinc/03/03/11/645030311.db2.gz JBSXZGJMGXSNCR-QMMMGPOBSA-N -1 1 381.281 2.453 20 0 GEADMM CN(C)CCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000185112657 645035032 /nfs/dbraw/zinc/03/50/32/645035032.db2.gz SAQXNQKPGFSQCZ-UHFFFAOYSA-N -1 1 376.425 2.158 20 0 GEADMM O=S(=O)([N-]Cc1cccnc1N1CCOCC1)c1c(F)cccc1Cl ZINC000185432815 645045170 /nfs/dbraw/zinc/04/51/70/645045170.db2.gz WPAIOVUOVIEYPT-UHFFFAOYSA-N -1 1 385.848 2.189 20 0 GEADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000185651740 645050974 /nfs/dbraw/zinc/05/09/74/645050974.db2.gz DQHOSUQCKHZMKU-DEOSSOPVSA-N -1 1 377.443 2.472 20 0 GEADMM Cc1c2cc(Br)ccc2oc1C(=O)[N-]NC(=O)Cc1cc[nH]n1 ZINC000186107647 645060806 /nfs/dbraw/zinc/06/08/06/645060806.db2.gz IKSXIOTTYMJHBU-UHFFFAOYSA-N -1 1 377.198 2.231 20 0 GEADMM Cc1ccc(S(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000186356085 645064772 /nfs/dbraw/zinc/06/47/72/645064772.db2.gz XAHOXEULGGZMFS-LBPRGKRZSA-N -1 1 389.445 2.414 20 0 GEADMM C[C@@]1(CO)CCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000545459246 650975291 /nfs/dbraw/zinc/97/52/91/650975291.db2.gz LXFORRLZXWWPEP-OCCSQVGLSA-N -1 1 375.206 2.278 20 0 GEADMM O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(I)ccc1[O-] ZINC000187930466 645101209 /nfs/dbraw/zinc/10/12/09/645101209.db2.gz NNPILEXKCGVENG-JOYOIKCWSA-N -1 1 375.206 2.278 20 0 GEADMM CC1(C)CC[C@@H](CNC(=O)N[N-]C(=O)c2cc(F)ccc2Br)O1 ZINC000188175956 645110128 /nfs/dbraw/zinc/11/01/28/645110128.db2.gz ANPYVKUZUSGAHT-JTQLQIEISA-N -1 1 388.237 2.490 20 0 GEADMM Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000188382965 645114277 /nfs/dbraw/zinc/11/42/77/645114277.db2.gz ZYIIKXFFNSIFMP-CQSZACIVSA-N -1 1 384.841 2.439 20 0 GEADMM O=c1[nH]cc(Br)cc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000189357731 645136526 /nfs/dbraw/zinc/13/65/26/645136526.db2.gz XKLSTRINIAEYDU-UHFFFAOYSA-N -1 1 383.223 2.313 20 0 GEADMM N#Cc1ccc(OCC(=O)N[N-]C(=O)c2cccc(Br)c2F)cc1 ZINC000192039874 645191590 /nfs/dbraw/zinc/19/15/90/645191590.db2.gz OXRYUJDARVYBOZ-UHFFFAOYSA-N -1 1 392.184 2.300 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)o1 ZINC000193077428 645239045 /nfs/dbraw/zinc/23/90/45/645239045.db2.gz IYWTZKSXDXIPTC-UHFFFAOYSA-N -1 1 377.249 2.467 20 0 GEADMM Cc1nn(C)c(C)c1CCNC(=O)c1cc(I)ccc1[O-] ZINC000193311664 645265537 /nfs/dbraw/zinc/26/55/37/645265537.db2.gz LGHQOMZVADIIKR-UHFFFAOYSA-N -1 1 399.232 2.320 20 0 GEADMM Cc1cc(=O)n(C)cc1NC(=O)c1ccc(I)c([O-])c1 ZINC000546209670 650995694 /nfs/dbraw/zinc/99/56/94/650995694.db2.gz HGTCOBCLAGRJFL-UHFFFAOYSA-N -1 1 384.173 2.256 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000194588418 645336095 /nfs/dbraw/zinc/33/60/95/645336095.db2.gz OEAMHHPUESCYRF-UHFFFAOYSA-N -1 1 385.848 2.440 20 0 GEADMM O=S(=O)([N-]Cc1nnnn1CC1CC1)c1c(Cl)cccc1C(F)(F)F ZINC000546734183 651008139 /nfs/dbraw/zinc/00/81/39/651008139.db2.gz IGGDGUNXQBJHMV-UHFFFAOYSA-N -1 1 395.794 2.234 20 0 GEADMM O=C(NCC1(O)CCCCC1)c1ccc(I)c([O-])c1 ZINC000230895620 645402043 /nfs/dbraw/zinc/40/20/43/645402043.db2.gz LCIFAPCDBNLAAI-UHFFFAOYSA-N -1 1 375.206 2.422 20 0 GEADMM O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(I)c([O-])c1 ZINC000230895858 645402110 /nfs/dbraw/zinc/40/21/10/645402110.db2.gz ZNLCLJKSDNDDJK-JQWIXIFHSA-N -1 1 375.206 2.278 20 0 GEADMM CCCN(CC(=O)OCC)C(=O)c1ccc(I)c([O-])c1 ZINC000230894509 645402295 /nfs/dbraw/zinc/40/22/95/645402295.db2.gz KGRRZUMVPNJZIK-UHFFFAOYSA-N -1 1 391.205 2.412 20 0 GEADMM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Br)o1 ZINC000546770789 651009510 /nfs/dbraw/zinc/00/95/10/651009510.db2.gz WCZJHHMOMXQZMV-NSHDSACASA-N -1 1 399.266 2.405 20 0 GEADMM O=S(=O)([N-]Cc1n[nH]cc1Br)c1ccc(Br)o1 ZINC000546778685 651009885 /nfs/dbraw/zinc/00/98/85/651009885.db2.gz NMRPFHXCKVSNHL-UHFFFAOYSA-N -1 1 385.037 2.006 20 0 GEADMM COc1ccc(Cl)cc1CS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O ZINC000547239237 651018922 /nfs/dbraw/zinc/01/89/22/651018922.db2.gz BSVCWOPDMKPLDJ-HNNXBMFYSA-N -1 1 380.853 2.183 20 0 GEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c1 ZINC000547242395 651019274 /nfs/dbraw/zinc/01/92/74/651019274.db2.gz NDKSCTUQGLGUPR-DEOSSOPVSA-N -1 1 380.491 2.068 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)ccc1C ZINC000547240219 651019328 /nfs/dbraw/zinc/01/93/28/651019328.db2.gz HEQMGBQDJDRBAU-XMMPIXPASA-N -1 1 381.475 2.461 20 0 GEADMM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000264765751 645713539 /nfs/dbraw/zinc/71/35/39/645713539.db2.gz PRTIMWVLHIDTQX-JTQLQIEISA-N -1 1 386.732 2.171 20 0 GEADMM COCCNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1Cl ZINC000265859865 645807693 /nfs/dbraw/zinc/80/76/93/645807693.db2.gz HKEQJEGASVDFQQ-ZDUSSCGKSA-N -1 1 390.889 2.027 20 0 GEADMM CC[C@@H](C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000268654345 645983664 /nfs/dbraw/zinc/98/36/64/645983664.db2.gz VKQXYEOSRAMPDN-HIFRSBDPSA-N -1 1 390.527 2.074 20 0 GEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)nc2)c(C)c1NS(C)(=O)=O ZINC000268715960 645992003 /nfs/dbraw/zinc/99/20/03/645992003.db2.gz MKUXXHUCMORKQL-UHFFFAOYSA-N -1 1 387.458 2.318 20 0 GEADMM CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)[N-]c1ncc(C)s1 ZINC000270510783 646113928 /nfs/dbraw/zinc/11/39/28/646113928.db2.gz OQPLRNCWWBBXQC-UHFFFAOYSA-N -1 1 391.496 2.023 20 0 GEADMM CSCC[C@@H](NC(N)=O)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000272150894 646257289 /nfs/dbraw/zinc/25/72/89/646257289.db2.gz ALHSFFWUOUDDFI-SECBINFHSA-N -1 1 376.276 2.192 20 0 GEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000272439857 646272666 /nfs/dbraw/zinc/27/26/66/646272666.db2.gz SSJADGYHCWDZLE-UHFFFAOYSA-N -1 1 375.353 2.092 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1Cl ZINC000275503428 646357569 /nfs/dbraw/zinc/35/75/69/646357569.db2.gz RIJOJCUMEIMOQS-MNOVXSKESA-N -1 1 392.909 2.188 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1 ZINC000277686729 646462169 /nfs/dbraw/zinc/46/21/69/646462169.db2.gz UVCIPMVPKKVIFP-UHFFFAOYSA-N -1 1 384.479 2.021 20 0 GEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000281394492 646767751 /nfs/dbraw/zinc/76/77/51/646767751.db2.gz BTLBSQRQBYEBJG-VIFPVBQESA-N -1 1 383.367 2.020 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c(Br)n1C ZINC000287770260 646896706 /nfs/dbraw/zinc/89/67/06/646896706.db2.gz JTQZZNWXAJAUPF-ZETCQYMHSA-N -1 1 379.305 2.030 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c(Br)n1C ZINC000288344144 646913822 /nfs/dbraw/zinc/91/38/22/646913822.db2.gz XUEHPRQYMJXOKB-JTQLQIEISA-N -1 1 389.319 2.129 20 0 GEADMM CCc1ccccc1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289731093 647170078 /nfs/dbraw/zinc/17/00/78/647170078.db2.gz XRQIXAXZLHOCNV-GFCCVEGCSA-N -1 1 378.416 2.328 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(F)cc2C)c(Br)n1C ZINC000319034724 647287896 /nfs/dbraw/zinc/28/78/96/647287896.db2.gz AFRXKXNBGLRXHV-UHFFFAOYSA-N -1 1 390.278 2.460 20 0 GEADMM Cc1cc(Cl)c(C)c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1Cl ZINC000322483955 647295734 /nfs/dbraw/zinc/29/57/34/647295734.db2.gz DCXFLMUKKFIFGL-UHFFFAOYSA-N -1 1 383.297 2.247 20 0 GEADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3n[nH]cc3Br)ccc21 ZINC000323641223 647298099 /nfs/dbraw/zinc/29/80/99/647298099.db2.gz SUDLRPMRACOEMD-UHFFFAOYSA-N -1 1 399.270 2.272 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCCCS1(=O)=O)c1cc(Cl)sc1Cl ZINC000329669469 647323212 /nfs/dbraw/zinc/32/32/12/647323212.db2.gz SMYSIBLYLXBTKF-SSDOTTSWSA-N -1 1 378.324 2.301 20 0 GEADMM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000330838792 647355551 /nfs/dbraw/zinc/35/55/51/647355551.db2.gz LQLOVXZXVYRQHZ-RTACJLRHSA-N -1 1 380.738 2.209 20 0 GEADMM C[C@H]([N-]S(=O)(=O)CC(F)(F)F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000331058545 647365593 /nfs/dbraw/zinc/36/55/93/647365593.db2.gz MLDPVETYEBBFJD-NSHDSACASA-N -1 1 383.411 2.120 20 0 GEADMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1=O ZINC000331483679 647386745 /nfs/dbraw/zinc/38/67/45/647386745.db2.gz JTNUIMCKVMWMLN-VFWDIBGWSA-N -1 1 381.256 2.420 20 0 GEADMM O=C(CC[N-]S(=O)(=O)c1ccc(Br)o1)NC1CCCCC1 ZINC000332544412 647443539 /nfs/dbraw/zinc/44/35/39/647443539.db2.gz FKXJBVSJTZANKO-UHFFFAOYSA-N -1 1 379.276 2.159 20 0 GEADMM CC[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000349513579 647506550 /nfs/dbraw/zinc/50/65/50/647506550.db2.gz BSOHFEPCDQVRSL-LBPRGKRZSA-N -1 1 397.950 2.235 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](C)CC2)nc1 ZINC000349620259 647518930 /nfs/dbraw/zinc/51/89/30/647518930.db2.gz RZFZCKHUTWDOJA-CTYIDZIISA-N -1 1 389.543 2.020 20 0 GEADMM CC(C)Oc1ncccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000349781467 647523246 /nfs/dbraw/zinc/52/32/46/647523246.db2.gz XLICMPYEAVHHDR-UHFFFAOYSA-N -1 1 380.451 2.459 20 0 GEADMM CCOc1cc(-c2noc([C@]3(C)CNC(=O)C3)n2)cc(Br)c1[O-] ZINC000350614550 647536610 /nfs/dbraw/zinc/53/66/10/647536610.db2.gz VITWHTUMEJQBNR-HNNXBMFYSA-N -1 1 382.214 2.381 20 0 GEADMM COc1cc(-c2noc(Cn3ccccc3=O)n2)cc(Br)c1[O-] ZINC000350769909 647540409 /nfs/dbraw/zinc/54/04/09/647540409.db2.gz CICFGGURBHYKOF-UHFFFAOYSA-N -1 1 378.182 2.423 20 0 GEADMM Cc1cc(Cl)ccc1Cc1noc(C[N-]S(=O)(=O)CCOC(C)C)n1 ZINC000350905890 647544079 /nfs/dbraw/zinc/54/40/79/647544079.db2.gz CSUBQJLSJMAEOF-UHFFFAOYSA-N -1 1 387.889 2.467 20 0 GEADMM O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cc(Br)ccc1[O-] ZINC000362197246 647568199 /nfs/dbraw/zinc/56/81/99/647568199.db2.gz FFDNDJHTABLGHX-LBPRGKRZSA-N -1 1 390.237 2.194 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c(F)cc1Cl ZINC000367133806 647720991 /nfs/dbraw/zinc/72/09/91/647720991.db2.gz QMZMTBSDJADTQO-BZHVJNSISA-N -1 1 377.821 2.112 20 0 GEADMM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3c(Cl)cc(F)cc3Cl)C2)cn1 ZINC000367188574 647723467 /nfs/dbraw/zinc/72/34/67/647723467.db2.gz TYVMHJGFVBYFGD-JTQLQIEISA-N -1 1 393.271 2.423 20 0 GEADMM O=C(N[C@@H]1CCCc2c1cnn2CCO)c1ccc(Br)cc1[O-] ZINC000367528747 647735188 /nfs/dbraw/zinc/73/51/88/647735188.db2.gz IVCVMDOSFOYZGZ-CYBMUJFWSA-N -1 1 380.242 2.151 20 0 GEADMM O=S(=O)([N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccc(Cl)nc1Cl ZINC000368263193 647754472 /nfs/dbraw/zinc/75/44/72/647754472.db2.gz UKIZAXXGMYMEPG-GWCFXTLKSA-N -1 1 395.308 2.377 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCSc3c2c(C)nn3C)c(=O)[n-]1 ZINC000368399541 647756630 /nfs/dbraw/zinc/75/66/30/647756630.db2.gz YUHIEDYBIDCUPT-UHFFFAOYSA-N -1 1 379.511 2.326 20 0 GEADMM C[C@H]1Oc2c(cccc2F)[C@@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000378163847 647877693 /nfs/dbraw/zinc/87/76/93/647877693.db2.gz GQWJHCNTHDWPDF-MEBBXXQBSA-N -1 1 385.438 2.030 20 0 GEADMM CS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000386688007 647889400 /nfs/dbraw/zinc/88/94/00/647889400.db2.gz KQCLBYQGGGKZJU-JTQLQIEISA-N -1 1 376.272 2.052 20 0 GEADMM C[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416513791 648154934 /nfs/dbraw/zinc/15/49/34/648154934.db2.gz DYSYUVLZDYFITF-ABAIWWIYSA-N -1 1 378.491 2.444 20 0 GEADMM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000416597688 648181576 /nfs/dbraw/zinc/18/15/76/648181576.db2.gz ZAVUXLAFHGDMCG-ZDUSSCGKSA-N -1 1 376.272 2.210 20 0 GEADMM CN(C)C(=O)C1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000416602793 648183703 /nfs/dbraw/zinc/18/37/03/648183703.db2.gz XXTYESGXZZSLRX-UHFFFAOYSA-N -1 1 399.669 2.141 20 0 GEADMM COC(=O)c1cc(Br)cc([N-]S(=O)(=O)C[C@@H](C)OC)c1C ZINC000416953600 648219035 /nfs/dbraw/zinc/21/90/35/648219035.db2.gz OZMQFFPYKYTFLE-MRVPVSSYSA-N -1 1 380.260 2.321 20 0 GEADMM C[C@@H](C(=O)[O-])N(C(=O)c1[nH]nc2ccc(I)cc21)C1CC1 ZINC000417439067 648246453 /nfs/dbraw/zinc/24/64/53/648246453.db2.gz VERSAUBTIQATOO-ZETCQYMHSA-N -1 1 399.188 2.245 20 0 GEADMM CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)C[C@H](CC)OC ZINC000420695183 648437303 /nfs/dbraw/zinc/43/73/03/648437303.db2.gz WXJPPYOEADMFQH-ZFWWWQNUSA-N -1 1 377.890 2.159 20 0 GEADMM CC[C@@H](CS(=O)(=O)[N-]c1nn(CC(F)(F)F)cc1Br)OC ZINC000421259714 648479666 /nfs/dbraw/zinc/47/96/66/648479666.db2.gz NSUUMOLYCJGCOA-ZETCQYMHSA-N -1 1 394.213 2.375 20 0 GEADMM C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C(=O)[O-] ZINC000424268098 648622142 /nfs/dbraw/zinc/62/21/42/648622142.db2.gz KZCKRVLEWVMWPK-BXUZGUMPSA-N -1 1 390.299 2.408 20 0 GEADMM O=C([O-])[C@@H]1Cn2c(=O)[nH]nc2CN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000424415996 648627749 /nfs/dbraw/zinc/62/77/49/648627749.db2.gz UIMQGERMPFEGMP-JTQLQIEISA-N -1 1 376.722 2.125 20 0 GEADMM CCC[C@H](NC(=O)Cc1noc2ccc(Br)cc12)c1nn[n-]n1 ZINC000424701749 648640211 /nfs/dbraw/zinc/64/02/11/648640211.db2.gz FFJOFPJMKNBCAH-JTQLQIEISA-N -1 1 379.218 2.304 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(CS(C)(=O)=O)c2)c(F)c1 ZINC000425153937 648665194 /nfs/dbraw/zinc/66/51/94/648665194.db2.gz GODKZVBPYQPPDP-UHFFFAOYSA-N -1 1 389.445 2.296 20 0 GEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)s1 ZINC000425209974 648671198 /nfs/dbraw/zinc/67/11/98/648671198.db2.gz VMVYYYZHXUHMND-ZETCQYMHSA-N -1 1 395.384 2.383 20 0 GEADMM CC(=O)N[C@@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000432801056 648780409 /nfs/dbraw/zinc/78/04/09/648780409.db2.gz SORCKKFWOZNVQR-YFKPBYRVSA-N -1 1 380.036 2.380 20 0 GEADMM 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C[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOC1(C)C ZINC000573969925 651991866 /nfs/dbraw/zinc/99/18/66/651991866.db2.gz DURYTBICUYXFJM-JTQLQIEISA-N -1 1 395.308 2.298 20 0 GEADMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)n1 ZINC000655636381 652001812 /nfs/dbraw/zinc/00/18/12/652001812.db2.gz QXCLHCIHWHTEKQ-UHFFFAOYSA-N -1 1 384.314 2.416 20 0 GEADMM C[C@H]1CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)O1 ZINC000618564264 652023171 /nfs/dbraw/zinc/02/31/71/652023171.db2.gz HISYWVGXSWQBDP-WDEREUQCSA-N -1 1 395.308 2.346 20 0 GEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1 ZINC000656643432 652044449 /nfs/dbraw/zinc/04/44/49/652044449.db2.gz GEYIMSOHLJUXEK-UHFFFAOYSA-N -1 1 381.475 2.105 20 0 GEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000619179516 652047018 /nfs/dbraw/zinc/04/70/18/652047018.db2.gz SLNZRYPKSIMEHD-CYBMUJFWSA-N -1 1 378.516 2.008 20 0 GEADMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ncccc2Br)s1 ZINC000656933292 652067103 /nfs/dbraw/zinc/06/71/03/652067103.db2.gz LWOJZZOWNVFWJY-UHFFFAOYSA-N -1 1 391.316 2.472 20 0 GEADMM O=S(=O)([N-]CC[C@@H]1COc2ccccc2O1)c1ncccc1Br ZINC000656937052 652068535 /nfs/dbraw/zinc/06/85/35/652068535.db2.gz DZRJNRNDGIWFIT-LLVKDONJSA-N -1 1 399.266 2.353 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1ncccc1Br)[C@@H](O)Cc1ccccc1 ZINC000656938724 652068971 /nfs/dbraw/zinc/06/89/71/652068971.db2.gz ALBBGDJTJFEGPZ-FZMZJTMJSA-N -1 1 385.283 2.115 20 0 GEADMM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1ncccc1Br ZINC000656940715 652070018 /nfs/dbraw/zinc/07/00/18/652070018.db2.gz ZNVUUFPMJKGDSN-WCQYABFASA-N -1 1 377.304 2.454 20 0 GEADMM O=S(=O)([N-]CCc1cnc(C2CC2)nc1)c1ncccc1Br ZINC000656943221 652071065 /nfs/dbraw/zinc/07/10/65/652071065.db2.gz HEKIMARGWLBXGM-UHFFFAOYSA-N -1 1 383.271 2.033 20 0 GEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ncccc1Br ZINC000656943451 652071171 /nfs/dbraw/zinc/07/11/71/652071171.db2.gz OEUBGQYGALTLHX-RTXFEEFZSA-N -1 1 387.299 2.470 20 0 GEADMM O=S(=O)([N-][C@H](C1CC1)[C@@]1(CO)CCCO1)c1sccc1Br ZINC000575877402 652084321 /nfs/dbraw/zinc/08/43/21/652084321.db2.gz ZCSDPMIEUGMRHV-YPMHNXCESA-N -1 1 396.328 2.109 20 0 GEADMM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1nc3ccccc3s1)CC2 ZINC000576103864 652096830 /nfs/dbraw/zinc/09/68/30/652096830.db2.gz OGGNXIXAIVRQNP-LLVKDONJSA-N -1 1 377.495 2.305 20 0 GEADMM O=C(CNC(=O)c1c([O-])cnc2c(Br)cccc21)N1CCCC1 ZINC000576388711 652112682 /nfs/dbraw/zinc/11/26/82/652112682.db2.gz YIYJHJVUFRLYPN-UHFFFAOYSA-N -1 1 378.226 2.055 20 0 GEADMM O=S(=O)([N-]CCO[C@H]1CC1(F)F)c1cc(Br)c(F)cc1F ZINC000657118524 652119228 /nfs/dbraw/zinc/11/92/28/652119228.db2.gz VKQBAIOSLZQSLJ-JTQLQIEISA-N -1 1 392.168 2.430 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)ccc1F ZINC000747617238 652170278 /nfs/dbraw/zinc/17/02/78/652170278.db2.gz ULVIHMCYTGDSDA-UHFFFAOYSA-N -1 1 385.335 2.002 20 0 GEADMM CO[C@@]1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)CCOC1 ZINC000577252192 652173589 /nfs/dbraw/zinc/17/35/89/652173589.db2.gz VREIIEFKYUGOKG-MRXNPFEDSA-N -1 1 381.226 2.238 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC[C@@H]1CC1(F)F ZINC000622206584 652190659 /nfs/dbraw/zinc/19/06/59/652190659.db2.gz IKWJIPGSESYIOT-MRVPVSSYSA-N -1 1 387.235 2.433 20 0 GEADMM CCc1cc(=O)n2[n-]c(NC(=O)CCc3ccc(Br)cc3)nc2n1 ZINC000622994472 652213158 /nfs/dbraw/zinc/21/31/58/652213158.db2.gz QBZTVXZFRWHFFR-UHFFFAOYSA-N -1 1 390.241 2.314 20 0 GEADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3cscc3Br)nc2n1 ZINC000622997906 652213713 /nfs/dbraw/zinc/21/37/13/652213713.db2.gz QHJFMLLGGHRORM-UHFFFAOYSA-N -1 1 396.270 2.375 20 0 GEADMM CC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCC1 ZINC000577763718 652214603 /nfs/dbraw/zinc/21/46/03/652214603.db2.gz PZWDXFYAAHMFJJ-UHFFFAOYSA-N -1 1 378.491 2.446 20 0 GEADMM O=C(CNC(=O)c1c([O-])cnc2c(Br)cccc21)N1CCCCC1 ZINC000577786750 652215716 /nfs/dbraw/zinc/21/57/16/652215716.db2.gz LRUBYYGCCFTTQW-UHFFFAOYSA-N -1 1 392.253 2.445 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]2C2CC2)c(OC)c1 ZINC000577818081 652217920 /nfs/dbraw/zinc/21/79/20/652217920.db2.gz OUSKXMOYZVZRGQ-AWEZNQCLSA-N -1 1 388.511 2.020 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)o1 ZINC000577881858 652225945 /nfs/dbraw/zinc/22/59/45/652225945.db2.gz AUVVZXUQMRCGOT-LLVKDONJSA-N -1 1 387.841 2.164 20 0 GEADMM CS(=O)(=O)CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000751280688 652338194 /nfs/dbraw/zinc/33/81/94/652338194.db2.gz GNZSWBHKPYXOBM-UHFFFAOYSA-N -1 1 391.417 2.189 20 0 GEADMM O=S(=O)(C[C@@H]1CCCO1)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751292530 652339554 /nfs/dbraw/zinc/33/95/54/652339554.db2.gz QGZOILFUFHKORY-QWHCGFSZSA-N -1 1 387.807 2.188 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2c(F)cccc2Cl)o1 ZINC000751477217 652355506 /nfs/dbraw/zinc/35/55/06/652355506.db2.gz SAFZRBRGGMOFNU-CLAHSXSESA-N -1 1 391.804 2.259 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Br)C1CC1 ZINC000580069771 652365972 /nfs/dbraw/zinc/36/59/72/652365972.db2.gz WSAUQYMPHCTYLV-GFCCVEGCSA-N -1 1 396.690 2.474 20 0 GEADMM O=C([N-]OCC(F)(F)F)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000752127000 652379180 /nfs/dbraw/zinc/37/91/80/652379180.db2.gz HFUDIWBOPPCRBH-SNVBAGLBSA-N -1 1 380.750 2.177 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 ZINC000626382439 652390557 /nfs/dbraw/zinc/39/05/57/652390557.db2.gz AJQXMNHIEDCRRZ-JTQLQIEISA-N -1 1 393.241 2.188 20 0 GEADMM O=C([O-])[C@@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000581670041 652421077 /nfs/dbraw/zinc/42/10/77/652421077.db2.gz QAFPQJNLUWRMIG-NEPJUHHUSA-N -1 1 397.255 2.054 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(Br)cc2F)c1 ZINC000754015444 652423433 /nfs/dbraw/zinc/42/34/33/652423433.db2.gz NZWXLGUWYZMJRR-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM O=C(N[C@@H](CO)CC(F)F)c1c([O-])cnc2c(Br)cccc21 ZINC000581975717 652429840 /nfs/dbraw/zinc/42/98/40/652429840.db2.gz RRCMXTUEKKVCAZ-SSDOTTSWSA-N -1 1 375.169 2.449 20 0 GEADMM O=S(=O)([N-]c1ccncc1Br)c1cccnc1C(F)(F)F ZINC000582025765 652432391 /nfs/dbraw/zinc/43/23/91/652432391.db2.gz CMKPUZAIVXIQIO-UHFFFAOYSA-N -1 1 382.161 2.481 20 0 GEADMM O=C([O-])c1ccccc1CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000582851199 652463914 /nfs/dbraw/zinc/46/39/14/652463914.db2.gz KCDPYDKNZOSUHH-UHFFFAOYSA-N -1 1 380.491 2.389 20 0 GEADMM CC(C)CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000628704707 652468874 /nfs/dbraw/zinc/46/88/74/652468874.db2.gz NSARKQKTIPFGOT-LLVKDONJSA-N -1 1 397.324 2.185 20 0 GEADMM Cc1ncc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000583234619 652478198 /nfs/dbraw/zinc/47/81/98/652478198.db2.gz URUDNWGGCSDPRY-UHFFFAOYSA-N -1 1 375.237 2.009 20 0 GEADMM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c([O-])cccc1Cl ZINC000755866597 652478427 /nfs/dbraw/zinc/47/84/27/652478427.db2.gz LMRFLSDOQSRFKJ-UHFFFAOYSA-N -1 1 386.779 2.089 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)co1 ZINC000755895204 652480005 /nfs/dbraw/zinc/48/00/05/652480005.db2.gz WLCAXEWENIAZIJ-MRVPVSSYSA-N -1 1 382.829 2.208 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc(F)c1F ZINC000755968818 652482766 /nfs/dbraw/zinc/48/27/66/652482766.db2.gz NQKPCVDMVFBJQK-DEOSSOPVSA-N -1 1 389.401 2.290 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)co1 ZINC000756403523 652497774 /nfs/dbraw/zinc/49/77/74/652497774.db2.gz UTLFEJMWXDFLNX-QMMMGPOBSA-N -1 1 383.407 2.217 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000630219237 652504711 /nfs/dbraw/zinc/50/47/11/652504711.db2.gz IAGGUDJUUCSKHB-LLVKDONJSA-N -1 1 387.249 2.138 20 0 GEADMM CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(I)c([O-])c1 ZINC000584322550 652516474 /nfs/dbraw/zinc/51/64/74/652516474.db2.gz VJMUFPJGUBPGBU-UHFFFAOYSA-N -1 1 391.205 2.411 20 0 GEADMM O=C(CN1C(=O)c2cc(Br)ccc2S1(=O)=O)c1ccc([O-])cc1 ZINC000757747096 652521904 /nfs/dbraw/zinc/52/19/04/652521904.db2.gz JPORIVJOKVHFPS-UHFFFAOYSA-N -1 1 396.218 2.182 20 0 GEADMM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2cccc(Br)c2)sn1 ZINC000632115612 652551261 /nfs/dbraw/zinc/55/12/61/652551261.db2.gz XUOPPNDSQNPEIZ-LLVKDONJSA-N -1 1 377.285 2.226 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-]CCCN(C)CC(F)(F)F)c(F)c1 ZINC000588677187 652554553 /nfs/dbraw/zinc/55/45/53/652554553.db2.gz DWYDLKBYCPWEOR-UHFFFAOYSA-N -1 1 376.347 2.136 20 0 GEADMM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1c[nH]nc1C(F)(F)F ZINC000632364187 652559085 /nfs/dbraw/zinc/55/90/85/652559085.db2.gz LJJJODKRTQKPQY-UHFFFAOYSA-N -1 1 388.293 2.363 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)CCCC1 ZINC000589229438 652562316 /nfs/dbraw/zinc/56/23/16/652562316.db2.gz VIOPBXOEXPHIGB-GFCCVEGCSA-N -1 1 375.393 2.051 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ccc(F)cc2)C1)c1c[nH]nc1C(F)(F)F ZINC000632461824 652564810 /nfs/dbraw/zinc/56/48/10/652564810.db2.gz BOKSQEFKDNHAHJ-JTQLQIEISA-N -1 1 378.351 2.125 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)[C@H](O)C(F)(F)F ZINC000632674533 652573370 /nfs/dbraw/zinc/57/33/70/652573370.db2.gz TVTBAGFLXAGLSQ-ANLVUFKYSA-N -1 1 380.157 2.178 20 0 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GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000914425353 654853528 /nfs/dbraw/zinc/85/35/28/654853528.db2.gz VITYIHLJKLAZGP-HFXCSBFXSA-N -1 1 386.417 2.029 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)Cc1ccsc1Br)[C@@H]1CCCO1 ZINC000915069475 654862387 /nfs/dbraw/zinc/86/23/87/654862387.db2.gz DOBOZRXDDZVRNI-QWRGUYRKSA-N -1 1 384.317 2.124 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c1F ZINC000914999834 654860195 /nfs/dbraw/zinc/86/01/95/654860195.db2.gz CFZURZDEEUPZDC-WPRPVWTQSA-N -1 1 382.251 2.300 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c1 ZINC000935271713 654884990 /nfs/dbraw/zinc/88/49/90/654884990.db2.gz XZCABRIZYJBFSJ-DOMZBBRYSA-N -1 1 399.285 2.281 20 0 GEADMM Cc1cc(C(=O)Nc2cccc(Br)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000151423571 531501061 /nfs/dbraw/zinc/50/10/61/531501061.db2.gz DQMYGPKWIFIFJM-UHFFFAOYSA-N -1 1 375.182 2.347 20 0 GEADMM COC(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000015789715 531568522 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CCC(CC)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCOCC1 ZINC000058723920 531834973 /nfs/dbraw/zinc/83/49/73/531834973.db2.gz ZUPQSYJQBNCNLR-MRXNPFEDSA-N -1 1 376.469 2.380 20 0 GEADMM COc1cc(NC(=O)CS(=O)(=O)c2ccc([O-])cc2)c(OC)cc1Cl ZINC000063927368 531862804 /nfs/dbraw/zinc/86/28/04/531862804.db2.gz VEYDUFONOGUHCT-UHFFFAOYSA-N -1 1 385.825 2.475 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000064467851 531865745 /nfs/dbraw/zinc/86/57/45/531865745.db2.gz HMMANGDNTXCROU-UHFFFAOYSA-N -1 1 394.396 2.414 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1S(N)(=O)=O ZINC000067124674 531876353 /nfs/dbraw/zinc/87/63/53/531876353.db2.gz NEQYCKXMTQUSAN-UHFFFAOYSA-N -1 1 392.861 2.490 20 0 GEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000067124200 531877473 /nfs/dbraw/zinc/87/74/73/531877473.db2.gz AYDIEYRAWYRCAI-UHFFFAOYSA-N -1 1 384.255 2.418 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1Cl ZINC000069042054 531909664 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C[C@@H](CO)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000120630710 531986710 /nfs/dbraw/zinc/98/67/10/531986710.db2.gz QJIXAUBRKPJVEC-GFCCVEGCSA-N -1 1 382.869 2.499 20 0 GEADMM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1sccc1Br)C2 ZINC000121309598 532022439 /nfs/dbraw/zinc/02/24/39/532022439.db2.gz GUSUXMIMSGERMQ-SECBINFHSA-N -1 1 376.301 2.309 20 0 GEADMM O=C(Cc1csc(N2CCCC2=O)n1)Nc1nc(Br)ccc1[O-] ZINC000121608924 532036736 /nfs/dbraw/zinc/03/67/36/532036736.db2.gz HEEAIXLGQGDGAW-UHFFFAOYSA-N -1 1 397.254 2.314 20 0 GEADMM O=S(=O)([N-]CCCOC[C@@H]1CCOC1)c1sccc1Br ZINC000121864743 532049801 /nfs/dbraw/zinc/04/98/01/532049801.db2.gz BILPHKHGJOEPTA-JTQLQIEISA-N -1 1 384.317 2.232 20 0 GEADMM Cc1cc(Br)ccc1SCC(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000174585790 532071326 /nfs/dbraw/zinc/07/13/26/532071326.db2.gz CIKWWOCMQZFVPH-UHFFFAOYSA-N -1 1 385.287 2.010 20 0 GEADMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N1CC[C@@H](O)C1 ZINC000174586974 532071396 /nfs/dbraw/zinc/07/13/96/532071396.db2.gz 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GEADMM C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2[O-])CCN1CC(C)(C)O ZINC000294904703 532389369 /nfs/dbraw/zinc/38/93/69/532389369.db2.gz AWUNLUWRHBRUPY-JTQLQIEISA-N -1 1 389.265 2.211 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C1CCOCC1 ZINC000464194893 532392718 /nfs/dbraw/zinc/39/27/18/532392718.db2.gz VPJOIESUOMQIAF-CYBMUJFWSA-N -1 1 379.837 2.116 20 0 GEADMM CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000559067388 532400481 /nfs/dbraw/zinc/40/04/81/532400481.db2.gz PQSHOAWVMSHIEM-LBPRGKRZSA-N -1 1 382.452 2.085 20 0 GEADMM COCC1(CCNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000516973422 532400724 /nfs/dbraw/zinc/40/07/24/532400724.db2.gz VZZSSJSGQOXNDD-UHFFFAOYSA-N -1 1 395.308 2.205 20 0 GEADMM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]c1ccnc(SC)c1 ZINC000591260599 532404167 /nfs/dbraw/zinc/40/41/67/532404167.db2.gz VGZXZHXNMFQIDX-UHFFFAOYSA-N -1 1 382.463 2.328 20 0 GEADMM CCO[C@@H](CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)Nc1nccs1)C1CC1 ZINC000625104945 532407145 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/nfs/dbraw/zinc/83/60/46/532836046.db2.gz OOFCNMDACRVLRU-SNVBAGLBSA-N -1 1 385.288 2.379 20 0 GEADMM CCOc1cc(C(=O)NCC(C)(C)N2CCS(=O)CC2)cc(Cl)c1[O-] ZINC000273951977 532837738 /nfs/dbraw/zinc/83/77/38/532837738.db2.gz MPUXRCAHROIEGD-UHFFFAOYSA-N -1 1 388.917 2.017 20 0 GEADMM CC(C)NC(=O)CN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000289432939 532854477 /nfs/dbraw/zinc/85/44/77/532854477.db2.gz XXUBBBCPVMYJEQ-UHFFFAOYSA-N -1 1 380.242 2.300 20 0 GEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)no1 ZINC000289436929 532854638 /nfs/dbraw/zinc/85/46/38/532854638.db2.gz DJZYOJWUQVWVRQ-ZETCQYMHSA-N -1 1 381.241 2.347 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000289591384 532859969 /nfs/dbraw/zinc/85/99/69/532859969.db2.gz QYJGCHAOIKKZJI-UHFFFAOYSA-N -1 1 380.264 2.481 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000274947618 532860067 /nfs/dbraw/zinc/86/00/67/532860067.db2.gz HNXINFCWLUGREA-NSHDSACASA-N -1 1 381.281 2.211 20 0 GEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(OC)ccc2Cl)no1 ZINC000289666906 532862949 /nfs/dbraw/zinc/86/29/49/532862949.db2.gz UQYHSSFNNZAULC-SECBINFHSA-N -1 1 375.834 2.308 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccc(Br)cc1C ZINC000416224485 532867607 /nfs/dbraw/zinc/86/76/07/532867607.db2.gz QRHRYJNWUBJPJW-UHFFFAOYSA-N -1 1 382.214 2.240 20 0 GEADMM Cc1nnc(CC[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)s1 ZINC000289985311 532869775 /nfs/dbraw/zinc/86/97/75/532869775.db2.gz VLDPSTHSWJWVOO-UHFFFAOYSA-N -1 1 398.254 2.408 20 0 GEADMM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cn1 ZINC000275273772 532871015 /nfs/dbraw/zinc/87/10/15/532871015.db2.gz JNXZNAXNKDECSA-GXFFZTMASA-N -1 1 391.280 2.321 20 0 GEADMM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1cccc2c1OC(F)(F)O2 ZINC000333934963 532876012 /nfs/dbraw/zinc/87/60/12/532876012.db2.gz IZPPPBHQGACGDM-UHFFFAOYSA-N -1 1 389.298 2.398 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2cc3c(s2)CCOC3)C1)C(F)(F)F ZINC000290360253 532879235 /nfs/dbraw/zinc/87/92/35/532879235.db2.gz MGEHRUXJTWSTJD-SNVBAGLBSA-N -1 1 376.400 2.352 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C(C)C)C2CCC2)c1 ZINC000349481202 532881872 /nfs/dbraw/zinc/88/18/72/532881872.db2.gz ZFHRRVIRKOJWNT-UHFFFAOYSA-N -1 1 389.543 2.115 20 0 GEADMM CC(C)[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349518678 532881966 /nfs/dbraw/zinc/88/19/66/532881966.db2.gz OEABSVANMTXWKF-LBPRGKRZSA-N -1 1 397.950 2.173 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000275789921 532883026 /nfs/dbraw/zinc/88/30/26/532883026.db2.gz GMUPOGXZDSORRZ-JTQLQIEISA-N -1 1 380.198 2.365 20 0 GEADMM C[C@H]1CCN(C(=O)CSc2ccncc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290462806 532881442 /nfs/dbraw/zinc/88/14/42/532881442.db2.gz LLJDRZALEQGRTE-MJVIPROJSA-N -1 1 375.416 2.478 20 0 GEADMM CCS(=O)(=O)c1ccccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290646441 532885622 /nfs/dbraw/zinc/88/56/22/532885622.db2.gz IIRDOOZINKQJMV-LBPRGKRZSA-N -1 1 378.416 2.375 20 0 GEADMM CCc1cnc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290640999 532885735 /nfs/dbraw/zinc/88/57/35/532885735.db2.gz DSVLBBRKAOMANP-SNVBAGLBSA-N -1 1 378.420 2.306 20 0 GEADMM COc1cc(-c2noc(CCn3cnccc3=O)n2)cc(Br)c1[O-] ZINC000350577290 532886043 /nfs/dbraw/zinc/88/60/43/532886043.db2.gz LKODVYUUUJLVPU-UHFFFAOYSA-N -1 1 393.197 2.013 20 0 GEADMM Cc1nc(C)c(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290678608 532886578 /nfs/dbraw/zinc/88/65/78/532886578.db2.gz HVJYCQSEHIHKLY-LLVKDONJSA-N -1 1 378.420 2.360 20 0 GEADMM CC1(C)CN(C(=O)c2cc(I)ccc2[O-])CC[C@H]1O ZINC000276041490 532887576 /nfs/dbraw/zinc/88/75/76/532887576.db2.gz PHVBPFDLIAKNHJ-GFCCVEGCSA-N -1 1 375.206 2.230 20 0 GEADMM C[C@H]1CCCCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349615341 532884228 /nfs/dbraw/zinc/88/42/28/532884228.db2.gz KTSMQLIMQGZZGH-HNNXBMFYSA-N -1 1 389.543 2.055 20 0 GEADMM O=C(c1cc(Cl)ccc1[O-])N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000021874728 207240554 /nfs/dbraw/zinc/24/05/54/207240554.db2.gz OMFURPYAOVRDNB-UHFFFAOYSA-N -1 1 398.843 2.331 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c(OC)c1 ZINC000276110142 532889400 /nfs/dbraw/zinc/88/94/00/532889400.db2.gz XIHFSNGKNHEGKY-UHFFFAOYSA-N -1 1 375.353 2.252 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCOC)c1 ZINC000276325072 532893880 /nfs/dbraw/zinc/89/38/80/532893880.db2.gz PNUCTEHXUUKRNP-UHFFFAOYSA-N -1 1 383.491 2.470 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CCSC1 ZINC000290990742 532894485 /nfs/dbraw/zinc/89/44/85/532894485.db2.gz ZSSLEZUHDYAOLI-VIFPVBQESA-N -1 1 383.322 2.141 20 0 GEADMM CCCS(=O)(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000424063858 532895177 /nfs/dbraw/zinc/89/51/77/532895177.db2.gz JIPBEAUZNFHJDB-UHFFFAOYSA-N -1 1 386.470 2.456 20 0 GEADMM Cc1cc(Br)cc2cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)oc21 ZINC000362456048 532896300 /nfs/dbraw/zinc/89/63/00/532896300.db2.gz ZADGSRDJFWGWGU-GFCCVEGCSA-N -1 1 392.213 2.231 20 0 GEADMM CCc1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291206233 532898274 /nfs/dbraw/zinc/89/82/74/532898274.db2.gz VCWFRGNUPPVBRQ-VIFPVBQESA-N -1 1 380.798 2.167 20 0 GEADMM O=S(=O)([N-]c1cnn(C2CCN(Cc3cncs3)CC2)c1)C(F)F ZINC000364218314 532904712 /nfs/dbraw/zinc/90/47/12/532904712.db2.gz NQCIJSZKEZUKNB-UHFFFAOYSA-N -1 1 377.442 2.141 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(N)=O ZINC000292315122 532915304 /nfs/dbraw/zinc/91/53/04/532915304.db2.gz ZNERTSPXEUFFOE-QMMMGPOBSA-N -1 1 390.086 2.298 20 0 GEADMM COCCCN(CCO)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292658076 532917323 /nfs/dbraw/zinc/91/73/23/532917323.db2.gz AOGUDARIOXEOQL-UHFFFAOYSA-N -1 1 383.242 2.174 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000292774498 532918453 /nfs/dbraw/zinc/91/84/53/532918453.db2.gz KAQAASWQZAEJTG-UHFFFAOYSA-N -1 1 378.328 2.001 20 0 GEADMM Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000292976047 532920452 /nfs/dbraw/zinc/92/04/52/532920452.db2.gz LOYFGFQASILRFT-LLVKDONJSA-N -1 1 384.445 2.444 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(C)(C)O)cc2)c(C(F)(F)F)n1 ZINC000293247829 532923961 /nfs/dbraw/zinc/92/39/61/532923961.db2.gz WUXOPWODXMLCEW-UHFFFAOYSA-N -1 1 377.388 2.145 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000367711047 532926839 /nfs/dbraw/zinc/92/68/39/532926839.db2.gz WZQLROWJIBBUOQ-SSDOTTSWSA-N -1 1 383.817 2.308 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c(C(F)(F)F)n1 ZINC000293547957 532928435 /nfs/dbraw/zinc/92/84/35/532928435.db2.gz QWYLAVHEULFNPX-SNVBAGLBSA-N -1 1 379.335 2.380 20 0 GEADMM Nc1nccc([C@@H]2CCCN(C(=O)c3ccc(Br)cc3[O-])C2)n1 ZINC000368547809 532933210 /nfs/dbraw/zinc/93/32/10/532933210.db2.gz DGPBKHADENYMFE-SNVBAGLBSA-N -1 1 377.242 2.547 20 0 GEADMM O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000368553569 532933371 /nfs/dbraw/zinc/93/33/71/532933371.db2.gz ADMKNXVLSIULRE-NSHDSACASA-N -1 1 380.246 2.362 20 0 GEADMM Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cs1 ZINC000368565052 532933378 /nfs/dbraw/zinc/93/33/78/532933378.db2.gz ZPKRJKNMXMKORH-CHWSQXEVSA-N -1 1 399.563 2.322 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000294277624 532937619 /nfs/dbraw/zinc/93/76/19/532937619.db2.gz ZNFXPAWXRLOAJC-CYBMUJFWSA-N -1 1 384.841 2.135 20 0 GEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1cnc2ccsc2c1 ZINC000370823437 532945514 /nfs/dbraw/zinc/94/55/14/532945514.db2.gz IXVWFSYCHSKPSI-ZDUSSCGKSA-N -1 1 380.472 2.103 20 0 GEADMM CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000370569748 532944123 /nfs/dbraw/zinc/94/41/23/532944123.db2.gz UFSZIEXROQPVPB-ZBFHGGJFSA-N -1 1 386.901 2.385 20 0 GEADMM O=C(N[C@H]1CCN(C(=O)c2cccnc2)C1)c1cc(Br)ccc1[O-] ZINC000370582012 532944277 /nfs/dbraw/zinc/94/42/77/532944277.db2.gz HUQMLZVMUWGAIK-ZDUSSCGKSA-N -1 1 390.237 2.194 20 0 GEADMM CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000064461862 136156763 /nfs/dbraw/zinc/15/67/63/136156763.db2.gz XSOGEPDGKLXLIY-UHFFFAOYSA-N -1 1 393.440 2.077 20 0 GEADMM CCN(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1nc(C)cs1 ZINC000736505900 598832291 /nfs/dbraw/zinc/83/22/91/598832291.db2.gz UKOCYIYOMFJRJL-UHFFFAOYSA-N -1 1 387.469 2.335 20 0 GEADMM CC(=O)N[C@H](C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C(C)C ZINC000735473632 598833795 /nfs/dbraw/zinc/83/37/95/598833795.db2.gz CRGVRXFCBIMLBV-KRWDZBQOSA-N -1 1 398.492 2.372 20 0 GEADMM CN1CC[C@@H](C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000736848810 598833828 /nfs/dbraw/zinc/83/38/28/598833828.db2.gz NOECBARHGIJJPZ-CQSZACIVSA-N -1 1 396.476 2.080 20 0 GEADMM C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736301400 598872408 /nfs/dbraw/zinc/87/24/08/598872408.db2.gz AWJWPHQKFRQBHI-SNVBAGLBSA-N -1 1 378.845 2.087 20 0 GEADMM C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736301400 598872409 /nfs/dbraw/zinc/87/24/09/598872409.db2.gz AWJWPHQKFRQBHI-SNVBAGLBSA-N -1 1 378.845 2.087 20 0 GEADMM COCCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736988574 598876188 /nfs/dbraw/zinc/87/61/88/598876188.db2.gz VXKHSOXQKLBGCQ-UHFFFAOYSA-N -1 1 393.494 2.051 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2cccc(O)c2)c1-c1nn[n-]n1 ZINC000737189581 598911692 /nfs/dbraw/zinc/91/16/92/598911692.db2.gz PDAFJFKQKJXBSW-UHFFFAOYSA-N -1 1 382.449 2.497 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)s1 ZINC000736370942 598919153 /nfs/dbraw/zinc/91/91/53/598919153.db2.gz UNBDRJLXZDSXAM-VIFPVBQESA-N -1 1 384.874 2.406 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)s1 ZINC000736370942 598919154 /nfs/dbraw/zinc/91/91/54/598919154.db2.gz UNBDRJLXZDSXAM-VIFPVBQESA-N -1 1 384.874 2.406 20 0 GEADMM Cc1cc(O)ccc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737280415 598932552 /nfs/dbraw/zinc/93/25/52/598932552.db2.gz VBJLAFVSAQQXAN-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM Cc1cc(O)ccc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737280415 598932553 /nfs/dbraw/zinc/93/25/53/598932553.db2.gz VBJLAFVSAQQXAN-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM O=C(C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)N1CCCCC1 ZINC000737792233 598935361 /nfs/dbraw/zinc/93/53/61/598935361.db2.gz NXJWFVJXEYZSMM-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM O=C(C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)N1CCCCC1 ZINC000737792233 598935363 /nfs/dbraw/zinc/93/53/63/598935363.db2.gz NXJWFVJXEYZSMM-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM O=C(Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738162889 598943462 /nfs/dbraw/zinc/94/34/62/598943462.db2.gz HBWKLLHPAMVNLE-UHFFFAOYSA-N -1 1 397.826 2.307 20 0 GEADMM O=C(Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738162889 598943464 /nfs/dbraw/zinc/94/34/64/598943464.db2.gz HBWKLLHPAMVNLE-UHFFFAOYSA-N -1 1 397.826 2.307 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC000737188832 598953291 /nfs/dbraw/zinc/95/32/91/598953291.db2.gz HLUWKGODXZDUEA-BXUZGUMPSA-N -1 1 388.497 2.142 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cccc1-c1nn[nH]n1 ZINC000822129946 607255443 /nfs/dbraw/zinc/25/54/43/607255443.db2.gz OVDKBZLFABSMLP-UHFFFAOYSA-N -1 1 398.448 2.251 20 0 GEADMM CC(C)OC(=O)N1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735895265 598969560 /nfs/dbraw/zinc/96/95/60/598969560.db2.gz RWIAAAAOBAFJKE-UHFFFAOYSA-N -1 1 382.428 2.231 20 0 GEADMM CC(C)OC(=O)N1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735895265 598969561 /nfs/dbraw/zinc/96/95/61/598969561.db2.gz RWIAAAAOBAFJKE-UHFFFAOYSA-N -1 1 382.428 2.231 20 0 GEADMM O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738183348 598987254 /nfs/dbraw/zinc/98/72/54/598987254.db2.gz MENXPNPOZRHPHV-UHFFFAOYSA-N -1 1 385.815 2.004 20 0 GEADMM O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738183348 598987255 /nfs/dbraw/zinc/98/72/55/598987255.db2.gz MENXPNPOZRHPHV-UHFFFAOYSA-N -1 1 385.815 2.004 20 0 GEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC(F)F ZINC000737090435 598991016 /nfs/dbraw/zinc/99/10/16/598991016.db2.gz OIEPGKHREKCOPK-UHFFFAOYSA-N -1 1 390.350 2.144 20 0 GEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC(F)F ZINC000737090435 598991017 /nfs/dbraw/zinc/99/10/17/598991017.db2.gz OIEPGKHREKCOPK-UHFFFAOYSA-N -1 1 390.350 2.144 20 0 GEADMM CN(Cc1cc(Br)cs1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736813835 598992921 /nfs/dbraw/zinc/99/29/21/598992921.db2.gz FFIUJLCGRWBPOW-UHFFFAOYSA-N -1 1 379.243 2.358 20 0 GEADMM CN(Cc1cc(Br)cs1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736813835 598992922 /nfs/dbraw/zinc/99/29/22/598992922.db2.gz FFIUJLCGRWBPOW-UHFFFAOYSA-N -1 1 379.243 2.358 20 0 GEADMM O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738251517 599006598 /nfs/dbraw/zinc/00/65/98/599006598.db2.gz PSOGYZSRPWQGET-UHFFFAOYSA-N -1 1 375.348 2.408 20 0 GEADMM O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738251517 599006600 /nfs/dbraw/zinc/00/66/00/599006600.db2.gz PSOGYZSRPWQGET-UHFFFAOYSA-N -1 1 375.348 2.408 20 0 GEADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2)n1 ZINC000737438107 599018797 /nfs/dbraw/zinc/01/87/97/599018797.db2.gz YOCDWJIXIKPGNG-UHFFFAOYSA-N -1 1 393.432 2.433 20 0 GEADMM O=C(Oc1ccc(O[C@H]2CCCCNC2=O)cc1)c1sccc1-c1nn[n-]n1 ZINC000738247203 599027140 /nfs/dbraw/zinc/02/71/40/599027140.db2.gz OKYYNIUWGUBIJA-AWEZNQCLSA-N -1 1 399.432 2.195 20 0 GEADMM CC[C@H](c1ccc(F)cc1F)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000820939745 599054515 /nfs/dbraw/zinc/05/45/15/599054515.db2.gz XNPAEIWHLXFSFW-OAHLLOKOSA-N -1 1 386.410 2.208 20 0 GEADMM CC[C@H](c1ccc(F)cc1F)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000820939745 599054517 /nfs/dbraw/zinc/05/45/17/599054517.db2.gz XNPAEIWHLXFSFW-OAHLLOKOSA-N -1 1 386.410 2.208 20 0 GEADMM CC[C@@H](c1ccc(F)cc1F)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000820939736 599055018 /nfs/dbraw/zinc/05/50/18/599055018.db2.gz XNPAEIWHLXFSFW-HNNXBMFYSA-N -1 1 386.410 2.208 20 0 GEADMM CC[C@@H](c1ccc(F)cc1F)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000820939736 599055021 /nfs/dbraw/zinc/05/50/21/599055021.db2.gz XNPAEIWHLXFSFW-HNNXBMFYSA-N -1 1 386.410 2.208 20 0 GEADMM CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccncc1 ZINC000736358985 599077185 /nfs/dbraw/zinc/07/71/85/599077185.db2.gz YHGJDQBNWWYXGD-HNNXBMFYSA-N -1 1 381.440 2.179 20 0 GEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820776749 599085285 /nfs/dbraw/zinc/08/52/85/599085285.db2.gz NCERQCFTWBXSMV-ZDUSSCGKSA-N -1 1 397.870 2.195 20 0 GEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820776749 599085288 /nfs/dbraw/zinc/08/52/88/599085288.db2.gz NCERQCFTWBXSMV-ZDUSSCGKSA-N -1 1 397.870 2.195 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000737488495 599088027 /nfs/dbraw/zinc/08/80/27/599088027.db2.gz WECRTDYNRDVJMV-STQMWFEESA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000737488495 599088030 /nfs/dbraw/zinc/08/80/30/599088030.db2.gz WECRTDYNRDVJMV-STQMWFEESA-N -1 1 396.499 2.496 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C ZINC000737201126 599094785 /nfs/dbraw/zinc/09/47/85/599094785.db2.gz QVDFJMDKRQIJAC-LBPRGKRZSA-N -1 1 392.463 2.490 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000737548957 599096452 /nfs/dbraw/zinc/09/64/52/599096452.db2.gz RUSZQIJUZYPZNO-WQVCFCJDSA-N -1 1 396.451 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000737548957 599096455 /nfs/dbraw/zinc/09/64/55/599096455.db2.gz RUSZQIJUZYPZNO-WQVCFCJDSA-N -1 1 396.451 2.492 20 0 GEADMM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738040467 599109900 /nfs/dbraw/zinc/10/99/00/599109900.db2.gz PISKBDKDGCKZPW-ZDUSSCGKSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738040467 599109902 /nfs/dbraw/zinc/10/99/02/599109902.db2.gz PISKBDKDGCKZPW-ZDUSSCGKSA-N -1 1 379.207 2.032 20 0 GEADMM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737391250 599133151 /nfs/dbraw/zinc/13/31/51/599133151.db2.gz YTGYGKKFYVPLMY-UHFFFAOYSA-N -1 1 380.408 2.489 20 0 GEADMM Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737391250 599133153 /nfs/dbraw/zinc/13/31/53/599133153.db2.gz YTGYGKKFYVPLMY-UHFFFAOYSA-N -1 1 380.408 2.489 20 0 GEADMM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735619939 599139819 /nfs/dbraw/zinc/13/98/19/599139819.db2.gz ZJSOXKXRIHKOBR-UHFFFAOYSA-N -1 1 394.435 2.246 20 0 GEADMM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735619939 599139821 /nfs/dbraw/zinc/13/98/21/599139821.db2.gz ZJSOXKXRIHKOBR-UHFFFAOYSA-N -1 1 394.435 2.246 20 0 GEADMM CC(C)Cn1c(-c2ccc(-c3nn[n-]n3)o2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000820108584 599152996 /nfs/dbraw/zinc/15/29/96/599152996.db2.gz NZLPXLSUFTXYMD-UHFFFAOYSA-N -1 1 398.427 2.051 20 0 GEADMM Cc1nsc([N-]C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)n1 ZINC000822535083 599200437 /nfs/dbraw/zinc/20/04/37/599200437.db2.gz GFPMOODFMNFUAY-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM CC[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000736400655 599223988 /nfs/dbraw/zinc/22/39/88/599223988.db2.gz QKQGDSDSFLQBEK-OAHLLOKOSA-N -1 1 396.499 2.498 20 0 GEADMM CC[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000736400655 599223990 /nfs/dbraw/zinc/22/39/90/599223990.db2.gz QKQGDSDSFLQBEK-OAHLLOKOSA-N -1 1 396.499 2.498 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000737486879 599225211 /nfs/dbraw/zinc/22/52/11/599225211.db2.gz GDFPQLUZVCUHIX-PBHICJAKSA-N -1 1 394.483 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000737486879 599225212 /nfs/dbraw/zinc/22/52/12/599225212.db2.gz GDFPQLUZVCUHIX-PBHICJAKSA-N -1 1 394.483 2.250 20 0 GEADMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000823387660 599302943 /nfs/dbraw/zinc/30/29/43/599302943.db2.gz SRZWLVBKMFYHRT-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM O=C([O-])CSCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000566218995 597091102 /nfs/dbraw/zinc/09/11/02/597091102.db2.gz FKZAYQWFHOABKQ-UHFFFAOYSA-N -1 1 379.482 2.257 20 0 GEADMM O=C([O-])CSCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000583173290 597099606 /nfs/dbraw/zinc/09/96/06/597099606.db2.gz ZVTMBBIAIWPMPQ-UHFFFAOYSA-N -1 1 380.447 2.244 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CSc2ccccc21 ZINC000737198482 599262180 /nfs/dbraw/zinc/26/21/80/599262180.db2.gz AGPZAIZFNTUFBR-AWEZNQCLSA-N -1 1 396.476 2.480 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](C(=O)[O-])C1)N1CCCCC1 ZINC000818631132 597509362 /nfs/dbraw/zinc/50/93/62/597509362.db2.gz BUAYQTBZWHJPBQ-NVXWUHKLSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000819151772 597536258 /nfs/dbraw/zinc/53/62/58/597536258.db2.gz ZQQIWWGFGPJGLJ-CYBMUJFWSA-N -1 1 385.395 2.423 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ncc(Cl)s1 ZINC000737198941 599281739 /nfs/dbraw/zinc/28/17/39/599281739.db2.gz FBDSAFGPZCDKAJ-UHFFFAOYSA-N -1 1 379.833 2.265 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000821415067 598172852 /nfs/dbraw/zinc/17/28/52/598172852.db2.gz HHNAGRVTQWPFOD-HNNXBMFYSA-N -1 1 387.461 2.338 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000821415070 598172860 /nfs/dbraw/zinc/17/28/60/598172860.db2.gz HHNAGRVTQWPFOD-OAHLLOKOSA-N -1 1 387.461 2.338 20 0 GEADMM C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735964173 598258762 /nfs/dbraw/zinc/25/87/62/598258762.db2.gz WPNKPCOSRBRXCI-CYBMUJFWSA-N -1 1 384.465 2.251 20 0 GEADMM C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735964173 598258763 /nfs/dbraw/zinc/25/87/63/598258763.db2.gz WPNKPCOSRBRXCI-CYBMUJFWSA-N -1 1 384.465 2.251 20 0 GEADMM O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328565 598260931 /nfs/dbraw/zinc/26/09/31/598260931.db2.gz HWXUZNKMPQLYBX-HNNXBMFYSA-N -1 1 390.856 2.345 20 0 GEADMM O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328565 598260932 /nfs/dbraw/zinc/26/09/32/598260932.db2.gz HWXUZNKMPQLYBX-HNNXBMFYSA-N -1 1 390.856 2.345 20 0 GEADMM Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737330175 598262596 /nfs/dbraw/zinc/26/25/96/598262596.db2.gz MPFUADCKNRWBBT-UHFFFAOYSA-N -1 1 382.449 2.048 20 0 GEADMM Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737330175 598262598 /nfs/dbraw/zinc/26/25/98/598262598.db2.gz MPFUADCKNRWBBT-UHFFFAOYSA-N -1 1 382.449 2.048 20 0 GEADMM CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736780571 598267077 /nfs/dbraw/zinc/26/70/77/598267077.db2.gz XKQHPVUQQISTML-UHFFFAOYSA-N -1 1 378.502 2.487 20 0 GEADMM CN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736780571 598267079 /nfs/dbraw/zinc/26/70/79/598267079.db2.gz XKQHPVUQQISTML-UHFFFAOYSA-N -1 1 378.502 2.487 20 0 GEADMM O=S(=O)(N[C@H](c1ccccc1)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330905 598267887 /nfs/dbraw/zinc/26/78/87/598267887.db2.gz UJRCRYSOQCDVDM-QGZVFWFLSA-N -1 1 384.465 2.472 20 0 GEADMM O=S(=O)(N[C@H](c1ccccc1)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330905 598267888 /nfs/dbraw/zinc/26/78/88/598267888.db2.gz UJRCRYSOQCDVDM-QGZVFWFLSA-N -1 1 384.465 2.472 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344598 598269290 /nfs/dbraw/zinc/26/92/90/598269290.db2.gz YNEDFFYONFWVNN-CVEARBPZSA-N -1 1 384.465 2.266 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344598 598269292 /nfs/dbraw/zinc/26/92/92/598269292.db2.gz YNEDFFYONFWVNN-CVEARBPZSA-N -1 1 384.465 2.266 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CCCO3)cc1-c1nn[n-]n1 ZINC000737186034 598288402 /nfs/dbraw/zinc/28/84/02/598288402.db2.gz DDXHBJNWZOVNAJ-UHFFFAOYSA-N -1 1 384.421 2.267 20 0 GEADMM CCc1cccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1N ZINC000736700585 598291256 /nfs/dbraw/zinc/29/12/56/598291256.db2.gz VCYGGVCWDSPPAB-UHFFFAOYSA-N -1 1 384.396 2.017 20 0 GEADMM FC(F)(F)c1cccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737635482 598336802 /nfs/dbraw/zinc/33/68/02/598336802.db2.gz HKDFEYOYNACQPO-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM FC(F)(F)c1cccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737635482 598336804 /nfs/dbraw/zinc/33/68/04/598336804.db2.gz HKDFEYOYNACQPO-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nccnc1-c1nnn[n-]1 ZINC000736788630 598337059 /nfs/dbraw/zinc/33/70/59/598337059.db2.gz UUTFNDNXVRIFQL-UHFFFAOYSA-N -1 1 379.211 2.038 20 0 GEADMM CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nccnc1-c1nn[n-]n1 ZINC000736788630 598337060 /nfs/dbraw/zinc/33/70/60/598337060.db2.gz UUTFNDNXVRIFQL-UHFFFAOYSA-N -1 1 379.211 2.038 20 0 GEADMM COc1ccccc1Nc1nnc(Sc2nccnc2-c2nn[n-]n2)s1 ZINC000737152541 598337967 /nfs/dbraw/zinc/33/79/67/598337967.db2.gz RSEJQSNRRFSONL-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM COc1cc(OC)c(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(OC)c1 ZINC000737052008 598342414 /nfs/dbraw/zinc/34/24/14/598342414.db2.gz OWWIJEQNAQRYJM-UHFFFAOYSA-N -1 1 397.439 2.067 20 0 GEADMM COc1cc(OC)c(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(OC)c1 ZINC000737052008 598342416 /nfs/dbraw/zinc/34/24/16/598342416.db2.gz OWWIJEQNAQRYJM-UHFFFAOYSA-N -1 1 397.439 2.067 20 0 GEADMM Cc1cccc(COc2cccc(CC(=O)n3ncc(-c4nn[n-]n4)c3N)c2)c1 ZINC000737397007 598371946 /nfs/dbraw/zinc/37/19/46/598371946.db2.gz QHNIWADQCRVCRV-UHFFFAOYSA-N -1 1 389.419 2.416 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cc(Cl)ccn1 ZINC000737199004 598374153 /nfs/dbraw/zinc/37/41/53/598374153.db2.gz FIJLYWFBJAUMDE-UHFFFAOYSA-N -1 1 388.815 2.309 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737188096 598410781 /nfs/dbraw/zinc/41/07/81/598410781.db2.gz YPWACBAQVIGMRR-UHFFFAOYSA-N -1 1 382.449 2.278 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCCc2c(C)noc2C)c1-c1nn[n-]n1 ZINC000737190439 598424455 /nfs/dbraw/zinc/42/44/55/598424455.db2.gz ZGQBESAEQFOOIH-UHFFFAOYSA-N -1 1 399.480 2.438 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2cn(C)nc2C)c1-c1nn[n-]n1 ZINC000737189929 598502686 /nfs/dbraw/zinc/50/26/86/598502686.db2.gz RVGZOWAGXABFDA-VIFPVBQESA-N -1 1 398.496 2.394 20 0 GEADMM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000735831791 598542542 /nfs/dbraw/zinc/54/25/42/598542542.db2.gz VQGZXSAYARICGF-KRWDZBQOSA-N -1 1 389.423 2.132 20 0 GEADMM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000735831791 598542543 /nfs/dbraw/zinc/54/25/43/598542543.db2.gz VQGZXSAYARICGF-KRWDZBQOSA-N -1 1 389.423 2.132 20 0 GEADMM O=S(=O)([N-]c1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(F)c2ncccc12 ZINC000738341619 598594207 /nfs/dbraw/zinc/59/42/07/598594207.db2.gz GRJKELCVMUYQBA-UHFFFAOYSA-N -1 1 388.359 2.494 20 0 GEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736165019 598618498 /nfs/dbraw/zinc/61/84/98/598618498.db2.gz RATLJHXLPAPUQN-MNOVXSKESA-N -1 1 383.433 2.451 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2 ZINC000737201767 598618963 /nfs/dbraw/zinc/61/89/63/598618963.db2.gz VWORJFLMSPCWIO-UHFFFAOYSA-N -1 1 385.453 2.101 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cc(C(C)C)no1 ZINC000737486942 598623266 /nfs/dbraw/zinc/62/32/66/598623266.db2.gz GSJJBPDOSIRRHF-UHFFFAOYSA-N -1 1 395.427 2.209 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cc(C(C)C)no1 ZINC000737486942 598623268 /nfs/dbraw/zinc/62/32/68/598623268.db2.gz GSJJBPDOSIRRHF-UHFFFAOYSA-N -1 1 395.427 2.209 20 0 GEADMM COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737118733 598663246 /nfs/dbraw/zinc/66/32/46/598663246.db2.gz HQDVJMYANQVPON-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM Brc1ccccc1N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000735376149 598680474 /nfs/dbraw/zinc/68/04/74/598680474.db2.gz ZMVIRBZLKYKIKN-JTQLQIEISA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccccc1N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000735376149 598680476 /nfs/dbraw/zinc/68/04/76/598680476.db2.gz ZMVIRBZLKYKIKN-JTQLQIEISA-N -1 1 387.245 2.110 20 0 GEADMM CCc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736693072 598686968 /nfs/dbraw/zinc/68/69/68/598686968.db2.gz WKZCWKLDKWMLRU-UHFFFAOYSA-N -1 1 375.429 2.389 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000737980952 598719739 /nfs/dbraw/zinc/71/97/39/598719739.db2.gz HAPXPVRXZIRVCE-YOEHRIQHSA-N -1 1 392.463 2.363 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCCC1CCCCC1 ZINC000737980327 598720153 /nfs/dbraw/zinc/72/01/53/598720153.db2.gz CHXLPCCZONVKTD-UHFFFAOYSA-N -1 1 380.452 2.268 20 0 GEADMM COCCc1noc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)n1 ZINC000737013737 598757354 /nfs/dbraw/zinc/75/73/54/598757354.db2.gz KBUQBARYNOOAPH-UHFFFAOYSA-N -1 1 394.395 2.238 20 0 GEADMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735590388 598795297 /nfs/dbraw/zinc/79/52/97/598795297.db2.gz YGSBKZBHOFBIHM-SECBINFHSA-N -1 1 383.909 2.355 20 0 GEADMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735590388 598795299 /nfs/dbraw/zinc/79/52/99/598795299.db2.gz YGSBKZBHOFBIHM-SECBINFHSA-N -1 1 383.909 2.355 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOc2cc(F)ccc21 ZINC000738356158 599304630 /nfs/dbraw/zinc/30/46/30/599304630.db2.gz ZCZVFVRAWSMWSA-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOc2cc(F)ccc21 ZINC000738356158 599304631 /nfs/dbraw/zinc/30/46/31/599304631.db2.gz ZCZVFVRAWSMWSA-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc2)o1 ZINC000822505227 599305213 /nfs/dbraw/zinc/30/52/13/599305213.db2.gz DBGDIPNTXOGFIJ-UHFFFAOYSA-N -1 1 397.420 2.334 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC(OCC2CC2)CC1 ZINC000823605718 599327960 /nfs/dbraw/zinc/32/79/60/599327960.db2.gz ADDBTBYCCUUWGG-UHFFFAOYSA-N -1 1 397.888 2.100 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(OCC2CC2)CC1 ZINC000823605718 599327962 /nfs/dbraw/zinc/32/79/62/599327962.db2.gz ADDBTBYCCUUWGG-UHFFFAOYSA-N -1 1 397.888 2.100 20 0 GEADMM CCN(CCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821214148 599337528 /nfs/dbraw/zinc/33/75/28/599337528.db2.gz ICVSKTOJHUYDEG-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM CCN(CCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821214148 599337531 /nfs/dbraw/zinc/33/75/31/599337531.db2.gz ICVSKTOJHUYDEG-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821449117 599375268 /nfs/dbraw/zinc/37/52/68/599375268.db2.gz QCJNHHFPPJPAGT-MNOVXSKESA-N -1 1 385.490 2.301 20 0 GEADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C1CC1 ZINC000735459994 599377819 /nfs/dbraw/zinc/37/78/19/599377819.db2.gz BFHBPEPOQAMXGS-UHFFFAOYSA-N -1 1 377.408 2.025 20 0 GEADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)C1CC1 ZINC000735459994 599377822 /nfs/dbraw/zinc/37/78/22/599377822.db2.gz BFHBPEPOQAMXGS-UHFFFAOYSA-N -1 1 377.408 2.025 20 0 GEADMM Cc1nc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)no1 ZINC000737478520 599385323 /nfs/dbraw/zinc/38/53/23/599385323.db2.gz VKHQFCUHMQIEJE-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM Cc1nc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)no1 ZINC000737478520 599385326 /nfs/dbraw/zinc/38/53/26/599385326.db2.gz VKHQFCUHMQIEJE-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM O=C(CCc1ccccc1)N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737856645 599412360 /nfs/dbraw/zinc/41/23/60/599412360.db2.gz BAOPYYPJSGWSJN-UHFFFAOYSA-N -1 1 377.452 2.297 20 0 GEADMM O=C(CCc1ccccc1)N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737856645 599412363 /nfs/dbraw/zinc/41/23/63/599412363.db2.gz BAOPYYPJSGWSJN-UHFFFAOYSA-N -1 1 377.452 2.297 20 0 GEADMM O=C(CCNc1cccc(-c2nnn[n-]2)n1)Nc1ccc(Br)cc1 ZINC000737847172 599415082 /nfs/dbraw/zinc/41/50/82/599415082.db2.gz HEGLXGRLHZTAOH-UHFFFAOYSA-N -1 1 388.229 2.465 20 0 GEADMM O=C(CCNc1cccc(-c2nn[n-]n2)n1)Nc1ccc(Br)cc1 ZINC000737847172 599415083 /nfs/dbraw/zinc/41/50/83/599415083.db2.gz HEGLXGRLHZTAOH-UHFFFAOYSA-N -1 1 388.229 2.465 20 0 GEADMM Brc1cc(CNc2cccc(-c3nnn[n-]3)n2)cc2c1OCO2 ZINC000735368257 599417891 /nfs/dbraw/zinc/41/78/91/599417891.db2.gz JEKKTLVHSBIHKI-UHFFFAOYSA-N -1 1 375.186 2.365 20 0 GEADMM Brc1cc(CNc2cccc(-c3nn[n-]n3)n2)cc2c1OCO2 ZINC000735368257 599417894 /nfs/dbraw/zinc/41/78/94/599417894.db2.gz JEKKTLVHSBIHKI-UHFFFAOYSA-N -1 1 375.186 2.365 20 0 GEADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)COc1ccc(C(F)(F)F)cc1 ZINC000738381018 599417983 /nfs/dbraw/zinc/41/79/83/599417983.db2.gz FOZVODOWFOHLAO-LLVKDONJSA-N -1 1 380.330 2.132 20 0 GEADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)COc1ccc(C(F)(F)F)cc1 ZINC000738381018 599417984 /nfs/dbraw/zinc/41/79/84/599417984.db2.gz FOZVODOWFOHLAO-LLVKDONJSA-N -1 1 380.330 2.132 20 0 GEADMM Brc1cnn(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000735375938 599434058 /nfs/dbraw/zinc/43/40/58/599434058.db2.gz UGORYVAVMKRSAL-UHFFFAOYSA-N -1 1 375.234 2.062 20 0 GEADMM Brc1cnn(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000735375938 599434061 /nfs/dbraw/zinc/43/40/61/599434061.db2.gz UGORYVAVMKRSAL-UHFFFAOYSA-N -1 1 375.234 2.062 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC1CC1 ZINC000820636363 599492104 /nfs/dbraw/zinc/49/21/04/599492104.db2.gz RSJOBWQUDDLAKU-HNNXBMFYSA-N -1 1 386.412 2.162 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC1CC1 ZINC000820636363 599492105 /nfs/dbraw/zinc/49/21/05/599492105.db2.gz RSJOBWQUDDLAKU-HNNXBMFYSA-N -1 1 386.412 2.162 20 0 GEADMM O=C(NCCNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccc(F)cc1 ZINC000823202147 599494251 /nfs/dbraw/zinc/49/42/51/599494251.db2.gz QTXDCVBMTDYICN-UHFFFAOYSA-N -1 1 377.383 2.396 20 0 GEADMM O=C(NCCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccc(F)cc1 ZINC000823202147 599494253 /nfs/dbraw/zinc/49/42/53/599494253.db2.gz QTXDCVBMTDYICN-UHFFFAOYSA-N -1 1 377.383 2.396 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H]2c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000821969554 599494830 /nfs/dbraw/zinc/49/48/30/599494830.db2.gz BJUQJADWVWOGAS-ZDUSSCGKSA-N -1 1 386.412 2.416 20 0 GEADMM FC(F)C(F)(F)CN1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000822727901 599558816 /nfs/dbraw/zinc/55/88/16/599558816.db2.gz BDWXWQGXAHQCNM-UHFFFAOYSA-N -1 1 395.364 2.437 20 0 GEADMM FC(F)C(F)(F)CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000822727901 599558818 /nfs/dbraw/zinc/55/88/18/599558818.db2.gz BDWXWQGXAHQCNM-UHFFFAOYSA-N -1 1 395.364 2.437 20 0 GEADMM C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000735964265 599593501 /nfs/dbraw/zinc/59/35/01/599593501.db2.gz XKBPRVJRPJDVEE-MRVPVSSYSA-N -1 1 375.376 2.305 20 0 GEADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1nccs1 ZINC000736365528 599603839 /nfs/dbraw/zinc/60/38/39/599603839.db2.gz WOQPBBGMRCMSEV-VIFPVBQESA-N -1 1 377.455 2.027 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cncc(C)c2)c1-c1nn[n-]n1 ZINC000822399965 599668714 /nfs/dbraw/zinc/66/87/14/599668714.db2.gz QYPUJAFYVWMVHS-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cccc3cc[nH]c32)c(-c2nn[n-]n2)c1C ZINC000822547672 599669346 /nfs/dbraw/zinc/66/93/46/599669346.db2.gz AZJSDDDYRWKBCH-UHFFFAOYSA-N -1 1 380.364 2.353 20 0 GEADMM CCCC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000584058186 599705606 /nfs/dbraw/zinc/70/56/06/599705606.db2.gz LMFJVTFZOWTVDP-GOSISDBHSA-N -1 1 380.510 2.125 20 0 GEADMM CN(C)[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1 ZINC000737358446 599722050 /nfs/dbraw/zinc/72/20/50/599722050.db2.gz MMXIYBCHLAOBMI-HNNXBMFYSA-N -1 1 396.896 2.489 20 0 GEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C/c2ccccc2Br)n1 ZINC000739920915 599739016 /nfs/dbraw/zinc/73/90/16/599739016.db2.gz VVSLNXBDWUYUGL-SOFGYWHQSA-N -1 1 386.227 2.143 20 0 GEADMM CN(C[C@H]1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1)C(=O)OC(C)(C)C ZINC000737413442 599793360 /nfs/dbraw/zinc/79/33/60/599793360.db2.gz OBFLHXXUEKLEEE-OAHLLOKOSA-N -1 1 397.516 2.079 20 0 GEADMM CC(C)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736412644 599796781 /nfs/dbraw/zinc/79/67/81/599796781.db2.gz OQJUIGSJEHLJLO-SFHVURJKSA-N -1 1 375.513 2.198 20 0 GEADMM Cc1ncc(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)s1 ZINC000822466811 607396061 /nfs/dbraw/zinc/39/60/61/607396061.db2.gz BPXIUCBCZFKLRB-UHFFFAOYSA-N -1 1 383.437 2.296 20 0 GEADMM Cc1ncc(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)s1 ZINC000822466811 607396063 /nfs/dbraw/zinc/39/60/63/607396063.db2.gz BPXIUCBCZFKLRB-UHFFFAOYSA-N -1 1 383.437 2.296 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(O)c2C)c(C(=O)[O-])s1 ZINC000737679504 599815453 /nfs/dbraw/zinc/81/54/53/599815453.db2.gz AACDOENODQNVSG-UHFFFAOYSA-N -1 1 385.419 2.356 20 0 GEADMM O=C([O-])C[C@@H]1CCCC[N@H+]1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000739638934 599840699 /nfs/dbraw/zinc/84/06/99/599840699.db2.gz GRKYVJNUOPELDY-HRAATJIYSA-N -1 1 385.464 2.447 20 0 GEADMM O=C([O-])C[C@@H]1CCCCN1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000739638934 599840700 /nfs/dbraw/zinc/84/07/00/599840700.db2.gz GRKYVJNUOPELDY-HRAATJIYSA-N -1 1 385.464 2.447 20 0 GEADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000736206741 599851834 /nfs/dbraw/zinc/85/18/34/599851834.db2.gz DRXROHRVXRTGNN-AAEUAGOBSA-N -1 1 392.843 2.159 20 0 GEADMM O=C([O-])CCCCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000666530854 599882849 /nfs/dbraw/zinc/88/28/49/599882849.db2.gz DRYLJEBWQBQHOR-UHFFFAOYSA-N -1 1 396.245 2.288 20 0 GEADMM O=C([O-])CCCCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000666530854 599882852 /nfs/dbraw/zinc/88/28/52/599882852.db2.gz DRYLJEBWQBQHOR-UHFFFAOYSA-N -1 1 396.245 2.288 20 0 GEADMM CN(CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)[C@@H](CO)c1ccccc1 ZINC000737505098 599885749 /nfs/dbraw/zinc/88/57/49/599885749.db2.gz DROGATUNYZEBCG-ICSRJNTNSA-N -1 1 395.459 2.387 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1N1CCOC1=O ZINC000738276899 599907681 /nfs/dbraw/zinc/90/76/81/599907681.db2.gz KAQWBGARZKPKQS-UHFFFAOYSA-N -1 1 376.390 2.451 20 0 GEADMM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000649453431 599928880 /nfs/dbraw/zinc/92/88/80/599928880.db2.gz GKPIMCAADLKKTA-CYBMUJFWSA-N -1 1 386.427 2.162 20 0 GEADMM Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cccc(C(=O)[O-])c2C)o1 ZINC000107885858 599934382 /nfs/dbraw/zinc/93/43/82/599934382.db2.gz ULDIMEBXGGADPI-UHFFFAOYSA-N -1 1 380.466 2.347 20 0 GEADMM CCOCCN1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@H]1CC ZINC000737177633 599961361 /nfs/dbraw/zinc/96/13/61/599961361.db2.gz YCGZKFCFUDTIRF-FUHWJXTLSA-N -1 1 391.512 2.453 20 0 GEADMM Cc1sc(NC(=O)CN2CCC[C@H](Cn3cncn3)C2)c(C(=O)[O-])c1C ZINC000738399707 599969108 /nfs/dbraw/zinc/96/91/08/599969108.db2.gz WNBJADVFUFWGEV-ZDUSSCGKSA-N -1 1 377.470 2.005 20 0 GEADMM Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000738916104 599974447 /nfs/dbraw/zinc/97/44/47/599974447.db2.gz WKIUPDZTVYBONT-OJLMPMFISA-N -1 1 398.916 2.410 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000738276926 599982994 /nfs/dbraw/zinc/98/29/94/599982994.db2.gz OLJZMWUPAMKNDN-UHFFFAOYSA-N -1 1 375.406 2.238 20 0 GEADMM Cc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000738308768 599985860 /nfs/dbraw/zinc/98/58/60/599985860.db2.gz YICRLEMRISUKNU-UHFFFAOYSA-N -1 1 376.478 2.446 20 0 GEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000739555377 600081833 /nfs/dbraw/zinc/08/18/33/600081833.db2.gz YUDPJEKHANXWHA-ZWKOTPCHSA-N -1 1 394.475 2.106 20 0 GEADMM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737674575 600097666 /nfs/dbraw/zinc/09/76/66/600097666.db2.gz LTQDSVILVVMNTL-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000737688918 600099899 /nfs/dbraw/zinc/09/98/99/600099899.db2.gz PWKCPXBXODLBFO-SNVBAGLBSA-N -1 1 393.421 2.140 20 0 GEADMM O=C([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)cn1 ZINC000740067157 600104179 /nfs/dbraw/zinc/10/41/79/600104179.db2.gz OLQAQVUXCHLHBV-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)NCc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000737912540 600107995 /nfs/dbraw/zinc/10/79/95/600107995.db2.gz QOWMMJRWLZTZHK-UHFFFAOYSA-N -1 1 381.392 2.178 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)NCc3ccc(C(=O)[O-])cc3)n[nH]2)cc1 ZINC000737912540 600107997 /nfs/dbraw/zinc/10/79/97/600107997.db2.gz QOWMMJRWLZTZHK-UHFFFAOYSA-N -1 1 381.392 2.178 20 0 GEADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000739548672 600110801 /nfs/dbraw/zinc/11/08/01/600110801.db2.gz QMUSCKIMUIWADR-RTWAWAEBSA-N -1 1 393.487 2.346 20 0 GEADMM O=C([O-])c1ccc(-c2noc(CNC(=O)c3c[nH]c4ccccc4c3=O)n2)cc1 ZINC000740101686 600111850 /nfs/dbraw/zinc/11/18/50/600111850.db2.gz RNLBBARNNFJNRB-UHFFFAOYSA-N -1 1 390.355 2.206 20 0 GEADMM Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000738549927 600120215 /nfs/dbraw/zinc/12/02/15/600120215.db2.gz CKLFXJDXXKPKGS-HXUWFJFHSA-N -1 1 397.475 2.295 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC000739826892 600179653 /nfs/dbraw/zinc/17/96/53/600179653.db2.gz YDKZSANJQNOAAR-UHFFFAOYSA-N -1 1 376.312 2.365 20 0 GEADMM COc1cc(C)c([C@@H](C)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000737867009 600291090 /nfs/dbraw/zinc/29/10/90/600291090.db2.gz GHCIQNLGZZGNJM-ZBFHGGJFSA-N -1 1 390.480 2.376 20 0 GEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CC2 ZINC000739489306 600302074 /nfs/dbraw/zinc/30/20/74/600302074.db2.gz RIKIYSZWCOOFLL-GOSISDBHSA-N -1 1 399.491 2.050 20 0 GEADMM CN(Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000737485392 600306809 /nfs/dbraw/zinc/30/68/09/600306809.db2.gz LMPSFUKOHVWINQ-UHFFFAOYSA-N -1 1 377.422 2.420 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(CN2CCc3ccccc32)CC1)C(=O)[O-] ZINC000736878935 600336714 /nfs/dbraw/zinc/33/67/14/600336714.db2.gz OBLPSQFQWIVVMR-KKSFZXQISA-N -1 1 387.524 2.377 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(CN2CCc3ccccc32)CC1)C(=O)[O-] ZINC000736878930 600336850 /nfs/dbraw/zinc/33/68/50/600336850.db2.gz OBLPSQFQWIVVMR-IIBYNOLFSA-N -1 1 387.524 2.377 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)N(C)Cc1ccccc1 ZINC000390525987 600345619 /nfs/dbraw/zinc/34/56/19/600345619.db2.gz GVTUHYLXRAJBMD-CYBMUJFWSA-N -1 1 380.441 2.323 20 0 GEADMM C[C@@H](CN(C)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)C(=O)[O-] ZINC000263156037 600365962 /nfs/dbraw/zinc/36/59/62/600365962.db2.gz FTSAXZWMMGLXLK-IFXJQAMLSA-N -1 1 384.432 2.425 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000737653580 600375119 /nfs/dbraw/zinc/37/51/19/600375119.db2.gz JDIBTKGTJBAUHZ-MRVPVSSYSA-N -1 1 377.224 2.371 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCC2(Cc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000821979682 607441506 /nfs/dbraw/zinc/44/15/06/607441506.db2.gz UVDZZLWYQGFELK-UHFFFAOYSA-N -1 1 396.476 2.442 20 0 GEADMM Cc1[nH]c(C(=O)[C@H](C)N2CCCN(C[C@H]3CCCO3)CC2)c(C)c1C(=O)[O-] ZINC000738235692 600435610 /nfs/dbraw/zinc/43/56/10/600435610.db2.gz JOBUWWWKCLUHKH-JKSUJKDBSA-N -1 1 377.485 2.088 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(OCC(=O)[O-])cc3)n2)cc1 ZINC000737912555 600462216 /nfs/dbraw/zinc/46/22/16/600462216.db2.gz RACWWYPROPMCAO-UHFFFAOYSA-N -1 1 397.391 2.265 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)Nc3ccc(OCC(=O)[O-])cc3)n[nH]2)cc1 ZINC000737912555 600462217 /nfs/dbraw/zinc/46/22/17/600462217.db2.gz RACWWYPROPMCAO-UHFFFAOYSA-N -1 1 397.391 2.265 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000737362676 600466684 /nfs/dbraw/zinc/46/66/84/600466684.db2.gz YGCFVRUIIWYYFB-MRXNPFEDSA-N -1 1 391.374 2.021 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000736814574 600487421 /nfs/dbraw/zinc/48/74/21/600487421.db2.gz KDZWYJNEHBECQJ-GPMSIDNRSA-N -1 1 389.496 2.302 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@H](c3ccccc3)OC[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822547679 607449838 /nfs/dbraw/zinc/44/98/38/607449838.db2.gz BCEJYJNLHFHGST-BLLLJJGKSA-N -1 1 396.451 2.477 20 0 GEADMM COc1ccc([C@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)N(C)C)cc1OC ZINC000737956722 600534615 /nfs/dbraw/zinc/53/46/15/600534615.db2.gz CHQLBAYCELVUOB-AWEZNQCLSA-N -1 1 391.424 2.097 20 0 GEADMM O=C([O-])C1(NCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CCCC1 ZINC000532710741 600558487 /nfs/dbraw/zinc/55/84/87/600558487.db2.gz CCANCAZUQQBZSS-UHFFFAOYSA-N -1 1 388.464 2.330 20 0 GEADMM CCOC(=O)C1C(CS[C@@H](C)CC(=O)[O-])=NC(=O)N[C@@H]1c1ccccc1 ZINC000737133800 600591394 /nfs/dbraw/zinc/59/13/94/600591394.db2.gz KRBNWJMLTLZVSJ-MEDUHNTESA-N -1 1 378.450 2.454 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000739886413 600626155 /nfs/dbraw/zinc/62/61/55/600626155.db2.gz LVEDDDZZEZFHDG-UHFFFAOYSA-N -1 1 375.328 2.033 20 0 GEADMM CN(C)[C@@H](CNC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1cccs1 ZINC000737358456 600636296 /nfs/dbraw/zinc/63/62/96/600636296.db2.gz MSXHFKRUAHLTOD-JTQLQIEISA-N -1 1 383.499 2.431 20 0 GEADMM CN1C(=O)c2ccc(S(=O)(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)cc2C1=O ZINC000737505294 600636614 /nfs/dbraw/zinc/63/66/14/600636614.db2.gz HQMFKMMREAROIZ-UHFFFAOYSA-N -1 1 394.792 2.065 20 0 GEADMM CN(C)[C@@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccsc1 ZINC000737357445 600642774 /nfs/dbraw/zinc/64/27/74/600642774.db2.gz AGUZMPQWHIYORJ-INIZCTEOSA-N -1 1 377.466 2.314 20 0 GEADMM CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000737514629 600647219 /nfs/dbraw/zinc/64/72/19/600647219.db2.gz LRLVHHSUDFHQIG-UHFFFAOYSA-N -1 1 392.477 2.192 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000738277302 600650837 /nfs/dbraw/zinc/65/08/37/600650837.db2.gz KOAYROAYMQIJQV-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000738277302 600650838 /nfs/dbraw/zinc/65/08/38/600650838.db2.gz KOAYROAYMQIJQV-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM CCOC(=O)COc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000603974739 600674435 /nfs/dbraw/zinc/67/44/35/600674435.db2.gz ARGZBIODBIXTMX-UHFFFAOYSA-N -1 1 385.419 2.189 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c[nH]1 ZINC000509613555 600676298 /nfs/dbraw/zinc/67/62/98/600676298.db2.gz MRCKWFLKPXZZST-UHFFFAOYSA-N -1 1 383.813 2.059 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CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])cc3F)CCO2)n1 ZINC000820330595 601792064 /nfs/dbraw/zinc/79/20/64/601792064.db2.gz ZDWYWGSEMVHLRJ-ZDUSSCGKSA-N -1 1 377.376 2.200 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000832532856 601803142 /nfs/dbraw/zinc/80/31/42/601803142.db2.gz GDWOCIGKXWCDID-QGTPRVQTSA-N -1 1 375.469 2.194 20 0 GEADMM CC(C)Cc1ccc([C@]2(C)NC(=O)N(CN3C[C@H](C(=O)[O-])[C@H](C)C3)C2=O)cc1 ZINC000826912627 601817965 /nfs/dbraw/zinc/81/79/65/601817965.db2.gz CYRMWGJEASAPHL-FNXXIHLHSA-N -1 1 387.480 2.262 20 0 GEADMM NC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000109417744 601834087 /nfs/dbraw/zinc/83/40/87/601834087.db2.gz VDZUFELQBNFONZ-UHFFFAOYSA-N -1 1 386.788 2.006 20 0 GEADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662218099 601842063 /nfs/dbraw/zinc/84/20/63/601842063.db2.gz LSJLMZLCMVYPIF-QGZVFWFLSA-N -1 1 390.480 2.252 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1F ZINC000833140439 601858037 /nfs/dbraw/zinc/85/80/37/601858037.db2.gz PJZGPTKUMJGXBE-INIZCTEOSA-N -1 1 399.422 2.243 20 0 GEADMM S=C(NC[C@@H]1CCOC1)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826512036 607531297 /nfs/dbraw/zinc/53/12/97/607531297.db2.gz MNQZMJKGQZOTCB-LBPRGKRZSA-N -1 1 397.464 2.377 20 0 GEADMM C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000828029079 601890481 /nfs/dbraw/zinc/89/04/81/601890481.db2.gz PIGOTEJDEHEMSB-DLBZAZTESA-N -1 1 383.807 2.000 20 0 GEADMM CC(C)Cc1ccc([C@]2(C)NC(=O)N(CN3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000826913153 601895400 /nfs/dbraw/zinc/89/54/00/601895400.db2.gz PFCBSVDGGURIKL-RTWAWAEBSA-N -1 1 387.480 2.406 20 0 GEADMM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000740351505 601926448 /nfs/dbraw/zinc/92/64/48/601926448.db2.gz YITIYZRQCRDJTL-MLHJIOFPSA-N -1 1 379.501 2.011 20 0 GEADMM O=C([O-])N1[C@H](C(=O)N2CCCN(C[C@H]3CCCO3)CC2)C[C@@H]2CCCC[C@@H]21 ZINC000740351503 601926476 /nfs/dbraw/zinc/92/64/76/601926476.db2.gz YITIYZRQCRDJTL-MHORFTMASA-N -1 1 379.501 2.011 20 0 GEADMM Cc1cc(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c(C)n1NC(=O)c1ccccc1 ZINC000832858388 601934720 /nfs/dbraw/zinc/93/47/20/601934720.db2.gz IMIXHBZQIIHUAB-NRFANRHFSA-N -1 1 383.448 2.468 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000739531831 601936092 /nfs/dbraw/zinc/93/60/92/601936092.db2.gz XCNRNWXRRPZHKI-ZDUSSCGKSA-N -1 1 377.422 2.472 20 0 GEADMM COc1ccc2cc(CN(C)C(=O)CN3CC[C@H](CNC(=O)[O-])C3)ccc2c1 ZINC000739937246 601954964 /nfs/dbraw/zinc/95/49/64/601954964.db2.gz LMVAVPUPRYBITC-MRXNPFEDSA-N -1 1 385.464 2.396 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000580074484 601968593 /nfs/dbraw/zinc/96/85/93/601968593.db2.gz VGUDIDWQYPRITC-KDOFPFPSSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167937 601969128 /nfs/dbraw/zinc/96/91/28/601969128.db2.gz LYPLRIOMONFOIB-RDTXWAMCSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000828167020 601969256 /nfs/dbraw/zinc/96/92/56/601969256.db2.gz AJHMUIAKECTLHF-CJNGLKHVSA-N -1 1 399.422 2.242 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167561 601969367 /nfs/dbraw/zinc/96/93/67/601969367.db2.gz IMAJMOIGYAREHD-KXBFYZLASA-N -1 1 395.459 2.031 20 0 GEADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000828432536 601977476 /nfs/dbraw/zinc/97/74/76/601977476.db2.gz NTSSGEFHEKNRBH-GWCFXTLKSA-N -1 1 393.509 2.281 20 0 GEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000833263797 601978384 /nfs/dbraw/zinc/97/83/84/601978384.db2.gz URKTYKOVIDXJSJ-UHFFFAOYSA-N -1 1 387.379 2.393 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)NCC2CCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000740116562 602021083 /nfs/dbraw/zinc/02/10/83/602021083.db2.gz FIDJCRAKNCCWDD-MRXNPFEDSA-N -1 1 378.473 2.414 20 0 GEADMM CC[C@@H](C)[C@H](NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000828736536 602027047 /nfs/dbraw/zinc/02/70/47/602027047.db2.gz ICTKBBYGFNBJOP-RNCFNFMXSA-N -1 1 390.221 2.319 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000827694336 602055852 /nfs/dbraw/zinc/05/58/52/602055852.db2.gz DQHZWLWVOOYPOQ-AEGPPILISA-N -1 1 386.452 2.221 20 0 GEADMM O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740413220 602058587 /nfs/dbraw/zinc/05/85/87/602058587.db2.gz HQIYDKSTJKBVHO-HOTGVXAUSA-N -1 1 378.473 2.496 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739946366 602061969 /nfs/dbraw/zinc/06/19/69/602061969.db2.gz SZHJLRDDEAQWIY-YJBOKZPZSA-N -1 1 392.500 2.329 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739945380 602062039 /nfs/dbraw/zinc/06/20/39/602062039.db2.gz KGNUXFXFJQCNSW-WBVHZDCISA-N -1 1 378.473 2.082 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000739226860 602115911 /nfs/dbraw/zinc/11/59/11/602115911.db2.gz CIABLDHSWATHFU-MAUKXSAKSA-N -1 1 377.485 2.412 20 0 GEADMM CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC000830237791 602117331 /nfs/dbraw/zinc/11/73/31/602117331.db2.gz MVCJJYXBEQTPDJ-LJQANCHMSA-N -1 1 397.475 2.234 20 0 GEADMM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000827316711 602141111 /nfs/dbraw/zinc/14/11/11/602141111.db2.gz COXGNYLDFBHFQV-QGZVFWFLSA-N -1 1 396.491 2.496 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nccs2)c2ccc(Br)cc12 ZINC000826501609 607546763 /nfs/dbraw/zinc/54/67/63/607546763.db2.gz YQDJHSAOVBEYEU-UHFFFAOYSA-N -1 1 389.238 2.449 20 0 GEADMM O=C([O-])CC1(NCc2csc(CNC(=O)c3ccccc3)n2)CCOCC1 ZINC000833205419 602255998 /nfs/dbraw/zinc/25/59/98/602255998.db2.gz FLZIWNNAODCILK-UHFFFAOYSA-N -1 1 389.477 2.187 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])cc1F ZINC000739909815 602264646 /nfs/dbraw/zinc/26/46/46/602264646.db2.gz RREXHQJFSIWFSJ-CZUORRHYSA-N -1 1 381.448 2.303 20 0 GEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738619979 602382232 /nfs/dbraw/zinc/38/22/32/602382232.db2.gz PNCRLLXXAUTXCW-GFCCVEGCSA-N -1 1 380.420 2.184 20 0 GEADMM C[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])N1CCc2ccccc2C1 ZINC000738939915 602383746 /nfs/dbraw/zinc/38/37/46/602383746.db2.gz PHRPFLKVLVDESO-UZLBHIALSA-N -1 1 381.476 2.428 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000740174334 602384507 /nfs/dbraw/zinc/38/45/07/602384507.db2.gz TVHMFZBPXSZKNH-INIZCTEOSA-N -1 1 377.485 2.200 20 0 GEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000736815670 602389507 /nfs/dbraw/zinc/38/95/07/602389507.db2.gz VRRACLKPPLHOPK-DAYGRLMNSA-N -1 1 377.485 2.204 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000830580173 602402253 /nfs/dbraw/zinc/40/22/53/602402253.db2.gz FWMULSWZSPRYLJ-INIZCTEOSA-N -1 1 391.374 2.021 20 0 GEADMM CN(CC1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1)C(=O)[O-] ZINC000739652108 602417038 /nfs/dbraw/zinc/41/70/38/602417038.db2.gz RYFOUTBBBGXZMZ-UHFFFAOYSA-N -1 1 389.500 2.077 20 0 GEADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739017004 602444687 /nfs/dbraw/zinc/44/46/87/602444687.db2.gz SYPIHULVDYRJTD-VBQJREDUSA-N -1 1 375.469 2.383 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000739030271 602446543 /nfs/dbraw/zinc/44/65/43/602446543.db2.gz ZCXNHHRHUIPBCF-KSSFIOAISA-N -1 1 393.459 2.094 20 0 GEADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739396474 602450911 /nfs/dbraw/zinc/45/09/11/602450911.db2.gz YVUIPYPYTQMSQH-HNNXBMFYSA-N -1 1 376.457 2.295 20 0 GEADMM COc1cc(C)c([C@@H](C)NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739850233 602528665 /nfs/dbraw/zinc/52/86/65/602528665.db2.gz JBAGVJXGLVBCES-CABCVRRESA-N -1 1 393.484 2.121 20 0 GEADMM O=S(=O)(NCCc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491292 607572363 /nfs/dbraw/zinc/57/23/63/607572363.db2.gz BETJIMUBCJHKBZ-UHFFFAOYSA-N -1 1 397.382 2.407 20 0 GEADMM CN(C[C@@H]1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)C1)C(=O)[O-] ZINC000739661698 602543412 /nfs/dbraw/zinc/54/34/12/602543412.db2.gz VTOVEMZOJGNWSN-SFHVURJKSA-N -1 1 389.496 2.126 20 0 GEADMM C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824406966 607572658 /nfs/dbraw/zinc/57/26/58/607572658.db2.gz UBQPSXAWHCVFBF-GFCCVEGCSA-N -1 1 375.429 2.305 20 0 GEADMM C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824406966 607572659 /nfs/dbraw/zinc/57/26/59/607572659.db2.gz UBQPSXAWHCVFBF-GFCCVEGCSA-N -1 1 375.429 2.305 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000739229841 602567674 /nfs/dbraw/zinc/56/76/74/602567674.db2.gz FMQGSLNHEAJNPI-XHDPSFHLSA-N -1 1 375.429 2.020 20 0 GEADMM O=C([O-])N[C@@H](CCC(=O)N[C@H](c1nn[nH]n1)c1ccccc1)c1ccccc1 ZINC000740541552 602569684 /nfs/dbraw/zinc/56/96/84/602569684.db2.gz ZTHXVJAAKQLUHF-RDJZCZTQSA-N -1 1 380.408 2.194 20 0 GEADMM O=S(=O)(NCCCc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491142 607573958 /nfs/dbraw/zinc/57/39/58/607573958.db2.gz VKHNPBVFWMGQIP-UHFFFAOYSA-N -1 1 377.857 2.431 20 0 GEADMM O=S(=O)(NCCCc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491142 607573960 /nfs/dbraw/zinc/57/39/60/607573960.db2.gz VKHNPBVFWMGQIP-UHFFFAOYSA-N -1 1 377.857 2.431 20 0 GEADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000738808520 602573631 /nfs/dbraw/zinc/57/36/31/602573631.db2.gz WKQKPWIVZDPOIR-OAHLLOKOSA-N -1 1 377.489 2.242 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000740709769 602603023 /nfs/dbraw/zinc/60/30/23/602603023.db2.gz FQSLLKOSRIOONB-SFHVURJKSA-N -1 1 384.436 2.317 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000739961618 602611358 /nfs/dbraw/zinc/61/13/58/602611358.db2.gz IFQBBVKNEVIMSP-DOTOQJQBSA-N -1 1 390.484 2.274 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N1CCCC1 ZINC000739957866 602612236 /nfs/dbraw/zinc/61/22/36/602612236.db2.gz KAUHASSUMWGJLO-GDBMZVCRSA-N -1 1 378.473 2.130 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2c(F)c(F)cc(F)c2F)c1-c1nn[n-]n1 ZINC000826303735 607577304 /nfs/dbraw/zinc/57/73/04/607577304.db2.gz CARHSNYRXLYFDV-UHFFFAOYSA-N -1 1 388.302 2.499 20 0 GEADMM O=C([O-])NC[C@@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)C1CCCCC1 ZINC000740612439 602638869 /nfs/dbraw/zinc/63/88/69/602638869.db2.gz RWZMVVKFHXUZTN-OAHLLOKOSA-N -1 1 386.456 2.487 20 0 GEADMM O=C([O-])NC[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000740612439 602638871 /nfs/dbraw/zinc/63/88/71/602638871.db2.gz RWZMVVKFHXUZTN-OAHLLOKOSA-N -1 1 386.456 2.487 20 0 GEADMM Cc1nn(Cc2ccccc2)c(Cl)c1CNCCN1CCN(C(=O)[O-])CC1 ZINC000740254136 602649520 /nfs/dbraw/zinc/64/95/20/602649520.db2.gz VGGMFBOZKFJGBB-UHFFFAOYSA-N -1 1 391.903 2.278 20 0 GEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2F)s1 ZINC000738589124 602653743 /nfs/dbraw/zinc/65/37/43/602653743.db2.gz VHTPGSOWXFASIE-UHFFFAOYSA-N -1 1 388.402 2.440 20 0 GEADMM O=S(=O)(NCCOc1ccc(Cl)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491580 607579181 /nfs/dbraw/zinc/57/91/81/607579181.db2.gz QIDULSNGKUQQNY-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM O=S(=O)(NCCOc1ccc(Cl)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491580 607579183 /nfs/dbraw/zinc/57/91/83/607579183.db2.gz QIDULSNGKUQQNY-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1F ZINC000826288759 607580192 /nfs/dbraw/zinc/58/01/92/607580192.db2.gz VLXRWJFLVIIGRH-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1F ZINC000826288759 607580193 /nfs/dbraw/zinc/58/01/93/607580193.db2.gz VLXRWJFLVIIGRH-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM Cc1nc(-c2ccc(OS(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2)no1 ZINC000826322301 607580706 /nfs/dbraw/zinc/58/07/06/607580706.db2.gz GYOLHYQMEFRXPU-UHFFFAOYSA-N -1 1 398.404 2.301 20 0 GEADMM Cc1cccc(NC(=O)CN2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)c1C ZINC000740169803 602702121 /nfs/dbraw/zinc/70/21/21/602702121.db2.gz JULMVVPXRXJDLM-SFHVURJKSA-N -1 1 388.512 2.250 20 0 GEADMM O=C1CCc2c1cccc2OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826480889 607582639 /nfs/dbraw/zinc/58/26/39/607582639.db2.gz WGNFBKRATSTAJE-UHFFFAOYSA-N -1 1 390.808 2.417 20 0 GEADMM O=S(=O)(NC[C@H]1CCCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490501 607584499 /nfs/dbraw/zinc/58/44/99/607584499.db2.gz XLPKUDQFHLBVJJ-CYBMUJFWSA-N -1 1 387.440 2.404 20 0 GEADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739441490 602765537 /nfs/dbraw/zinc/76/55/37/602765537.db2.gz NLUDFFLDDLKQTR-GDBMZVCRSA-N -1 1 393.484 2.030 20 0 GEADMM COc1ccc(CN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)C2CC2)cc1 ZINC000739904533 602789212 /nfs/dbraw/zinc/78/92/12/602789212.db2.gz QBBBBANHEWKINS-KBXCAEBGSA-N -1 1 375.469 2.164 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CSCc2cscn2)n1 ZINC000824147841 607586682 /nfs/dbraw/zinc/58/66/82/607586682.db2.gz HYNZOIXXLGPBFA-UHFFFAOYSA-N -1 1 378.487 2.147 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CSCc2cscn2)n1 ZINC000824147841 607586683 /nfs/dbraw/zinc/58/66/83/607586683.db2.gz HYNZOIXXLGPBFA-UHFFFAOYSA-N -1 1 378.487 2.147 20 0 GEADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C[C@@H]1CCCO1 ZINC000740365725 602855501 /nfs/dbraw/zinc/85/55/01/602855501.db2.gz PQWXNZQJILIGCZ-SFHVURJKSA-N -1 1 393.459 2.065 20 0 GEADMM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(c3ccnc4cc(F)ccc43)C2)CC1 ZINC000740524292 602862852 /nfs/dbraw/zinc/86/28/52/602862852.db2.gz BGOOODOACCQPCY-CQSZACIVSA-N -1 1 386.427 2.413 20 0 GEADMM C[C@@H](COc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824448699 607591417 /nfs/dbraw/zinc/59/14/17/607591417.db2.gz KHVWRXSQOQDOAE-NSHDSACASA-N -1 1 393.856 2.266 20 0 GEADMM C[C@@H](COc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824448699 607591419 /nfs/dbraw/zinc/59/14/19/607591419.db2.gz KHVWRXSQOQDOAE-NSHDSACASA-N -1 1 393.856 2.266 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)s1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491692 607591539 /nfs/dbraw/zinc/59/15/39/607591539.db2.gz WJRRBFLFTRHVHA-UHFFFAOYSA-N -1 1 387.849 2.242 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)s1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491692 607591541 /nfs/dbraw/zinc/59/15/41/607591541.db2.gz WJRRBFLFTRHVHA-UHFFFAOYSA-N -1 1 387.849 2.242 20 0 GEADMM C[C@@H](Cc1ccccc1F)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824457294 607594741 /nfs/dbraw/zinc/59/47/41/607594741.db2.gz JETYJOWTTSHPNY-JTQLQIEISA-N -1 1 379.392 2.054 20 0 GEADMM C[C@@H](Cc1ccccc1F)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824457294 607594743 /nfs/dbraw/zinc/59/47/43/607594743.db2.gz JETYJOWTTSHPNY-JTQLQIEISA-N -1 1 379.392 2.054 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824426815 607596889 /nfs/dbraw/zinc/59/68/89/607596889.db2.gz IYYABLSQMCPYGC-JTQLQIEISA-N -1 1 379.392 2.227 20 0 GEADMM CC[C@@H]1CN(C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)CCN1CCOC ZINC000826675378 602957813 /nfs/dbraw/zinc/95/78/13/602957813.db2.gz JQSARNXQVQKBCB-CGTJXYLNSA-N -1 1 377.485 2.201 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2cc(F)ccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489233 607597075 /nfs/dbraw/zinc/59/70/75/607597075.db2.gz KRLPQJLGVUUMSN-CYBMUJFWSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2cc(F)ccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489233 607597076 /nfs/dbraw/zinc/59/70/76/607597076.db2.gz KRLPQJLGVUUMSN-CYBMUJFWSA-N -1 1 377.376 2.111 20 0 GEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000740661335 602966522 /nfs/dbraw/zinc/96/65/22/602966522.db2.gz UFTXISNTZSSNHA-JTQLQIEISA-N -1 1 390.303 2.106 20 0 GEADMM CCOc1cccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000825649834 607600274 /nfs/dbraw/zinc/60/02/74/607600274.db2.gz ZDMGDOHGSAJGNH-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])N2CCCC2)cc1 ZINC000829310893 603009313 /nfs/dbraw/zinc/00/93/13/603009313.db2.gz KCMFRLARVUNHDQ-FUHWJXTLSA-N -1 1 390.484 2.274 20 0 GEADMM O=C([O-])NC[C@@H]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000740643145 603036759 /nfs/dbraw/zinc/03/67/59/603036759.db2.gz QCTUXBZYEWLKGF-FZMZJTMJSA-N -1 1 387.358 2.280 20 0 GEADMM Cc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826292412 607603660 /nfs/dbraw/zinc/60/36/60/607603660.db2.gz UDIDZQMSSGAQGS-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM CN1CCN(c2ccc(NC(=O)[C@H](CNC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000739737347 603080332 /nfs/dbraw/zinc/08/03/32/603080332.db2.gz XQEDSJUDGJSWKR-LJQANCHMSA-N -1 1 382.464 2.428 20 0 GEADMM CN(C)[C@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1cccc(F)c1 ZINC000739603073 603107746 /nfs/dbraw/zinc/10/77/46/603107746.db2.gz SECWQWRHTXNNLF-GOSISDBHSA-N -1 1 385.439 2.350 20 0 GEADMM O=C(CNc1cccc(C(F)(F)F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826414230 607607631 /nfs/dbraw/zinc/60/76/31/607607631.db2.gz LJJABQNRKSLBGI-UHFFFAOYSA-N -1 1 378.314 2.436 20 0 GEADMM O=C(CNc1cccc(C(F)(F)F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826414230 607607633 /nfs/dbraw/zinc/60/76/33/607607633.db2.gz LJJABQNRKSLBGI-UHFFFAOYSA-N -1 1 378.314 2.436 20 0 GEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739206197 603120836 /nfs/dbraw/zinc/12/08/36/603120836.db2.gz YCEFBYAMABISMR-GUYCJALGSA-N -1 1 393.459 2.410 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000824029529 607608992 /nfs/dbraw/zinc/60/89/92/607608992.db2.gz MLBNVZLCEATQEZ-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000824029529 607608994 /nfs/dbraw/zinc/60/89/94/607608994.db2.gz MLBNVZLCEATQEZ-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM O=C([O-])NC1(C(=O)NC[C@H](c2ccco2)N2CCCC2)Cc2ccccc2C1 ZINC000740535013 603132908 /nfs/dbraw/zinc/13/29/08/603132908.db2.gz DYGGDVNGEREAOA-QGZVFWFLSA-N -1 1 383.448 2.338 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@@H]2CSCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739897086 603182935 /nfs/dbraw/zinc/18/29/35/603182935.db2.gz RAOLSAPVIXFIMQ-HOTGVXAUSA-N -1 1 379.482 2.001 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826467484 607613113 /nfs/dbraw/zinc/61/31/13/607613113.db2.gz YEQSWJNTYPCFNQ-SFHVURJKSA-N -1 1 396.426 2.499 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826467484 607613114 /nfs/dbraw/zinc/61/31/14/607613114.db2.gz YEQSWJNTYPCFNQ-SFHVURJKSA-N -1 1 396.426 2.499 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826467483 607613442 /nfs/dbraw/zinc/61/34/42/607613442.db2.gz YEQSWJNTYPCFNQ-GOSISDBHSA-N -1 1 396.426 2.499 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000826467483 607613444 /nfs/dbraw/zinc/61/34/44/607613444.db2.gz YEQSWJNTYPCFNQ-GOSISDBHSA-N -1 1 396.426 2.499 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)C[C@@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000829592306 603235168 /nfs/dbraw/zinc/23/51/68/603235168.db2.gz PNTJVVLYXTXSRO-RDJZCZTQSA-N -1 1 375.469 2.481 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739962085 603283455 /nfs/dbraw/zinc/28/34/55/603283455.db2.gz UOVWITLQVZIAAU-DOTOQJQBSA-N -1 1 375.469 2.338 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826304332 607620388 /nfs/dbraw/zinc/62/03/88/607620388.db2.gz HKSSOVSFXFAPFT-UHFFFAOYSA-N -1 1 382.405 2.129 20 0 GEADMM Cc1ccc([C@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826283413 607621379 /nfs/dbraw/zinc/62/13/79/607621379.db2.gz QIEYNTDAJZQMTA-GFCCVEGCSA-N -1 1 375.429 2.396 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000830511283 603318403 /nfs/dbraw/zinc/31/84/03/603318403.db2.gz GKHCBLPAVZCLND-IBGZPJMESA-N -1 1 388.512 2.156 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CN(CC3CC3)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000826059221 603319263 /nfs/dbraw/zinc/31/92/63/603319263.db2.gz RWIBTFHJWYWWHZ-HZPDHXFCSA-N -1 1 389.496 2.302 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@H]3CCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000826058028 603319276 /nfs/dbraw/zinc/31/92/76/603319276.db2.gz MHVJOCIQBXQIRK-JTDSTZFVSA-N -1 1 389.496 2.445 20 0 GEADMM Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)N(C)C)cc1 ZINC000740112659 603402402 /nfs/dbraw/zinc/40/24/02/603402402.db2.gz FTNCDPVEKMCQKE-KRWDZBQOSA-N -1 1 384.436 2.443 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1)C(=O)[O-] ZINC000827170527 603455607 /nfs/dbraw/zinc/45/56/07/603455607.db2.gz ITWVBSZPCMECQC-OAHLLOKOSA-N -1 1 388.428 2.218 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CSCCS3)cc2)n1 ZINC000832730976 603473989 /nfs/dbraw/zinc/47/39/89/603473989.db2.gz ZVQXDZPNRYGBAL-NSHDSACASA-N -1 1 379.467 2.026 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3CSCCS3)cc2)n[nH]1 ZINC000832730976 603473993 /nfs/dbraw/zinc/47/39/93/603473993.db2.gz ZVQXDZPNRYGBAL-NSHDSACASA-N -1 1 379.467 2.026 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1 ZINC000832326435 603487243 /nfs/dbraw/zinc/48/72/43/603487243.db2.gz RERRKKCIVSILMV-STQMWFEESA-N -1 1 387.440 2.164 20 0 GEADMM CCCOc1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1OCCC ZINC000825338568 607633825 /nfs/dbraw/zinc/63/38/25/607633825.db2.gz DEEAXNPCTMDXQH-UHFFFAOYSA-N -1 1 385.428 2.106 20 0 GEADMM CC(C)NS(=O)(=O)Cc1ccccc1CNCc1ccc(NC(=O)[O-])nc1 ZINC000824381101 603547080 /nfs/dbraw/zinc/54/70/80/603547080.db2.gz FBRAKFHTAMVUFF-UHFFFAOYSA-N -1 1 392.481 2.289 20 0 GEADMM CC[C@@](C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nccs1 ZINC000825043106 607639598 /nfs/dbraw/zinc/63/95/98/607639598.db2.gz DZBZVXBWWIPQDO-CQSZACIVSA-N -1 1 382.446 2.066 20 0 GEADMM CC[C@@](C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nccs1 ZINC000825043106 607639599 /nfs/dbraw/zinc/63/95/99/607639599.db2.gz DZBZVXBWWIPQDO-CQSZACIVSA-N -1 1 382.446 2.066 20 0 GEADMM O=C(NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)c1cc(F)ccc1[O-] ZINC000826444077 607639710 /nfs/dbraw/zinc/63/97/10/607639710.db2.gz PDCZBPVQFCKJOY-UHFFFAOYSA-N -1 1 379.355 2.032 20 0 GEADMM O=S(=O)(NCC1(c2cccc(F)c2)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489853 607640488 /nfs/dbraw/zinc/64/04/88/607640488.db2.gz BRXGYAKGTVYYLQ-UHFFFAOYSA-N -1 1 391.403 2.155 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C(C)(C)CNC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000826057725 603629703 /nfs/dbraw/zinc/62/97/03/603629703.db2.gz KGPYBDNGJYIUTD-HUUCEWRRSA-N -1 1 377.485 2.206 20 0 GEADMM O=C([O-])N1CC(CC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C1 ZINC000831366385 603666075 /nfs/dbraw/zinc/66/60/75/603666075.db2.gz IHHCSQKEMLNOLQ-UHFFFAOYSA-N -1 1 388.468 2.440 20 0 GEADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000825402056 603673385 /nfs/dbraw/zinc/67/33/85/603673385.db2.gz HLYNMDREWFVWCC-GFCCVEGCSA-N -1 1 385.424 2.083 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]2CCCO[C@@H]21 ZINC000824788998 607646228 /nfs/dbraw/zinc/64/62/28/607646228.db2.gz FDOBAADZUAEILD-FZQKWOKYSA-N -1 1 397.888 2.002 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]2CCCO[C@@H]21 ZINC000824788998 607646230 /nfs/dbraw/zinc/64/62/30/607646230.db2.gz FDOBAADZUAEILD-FZQKWOKYSA-N -1 1 397.888 2.002 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@H](C)[C@@H]2CNC(=O)[O-])cc1OC ZINC000829358193 603722474 /nfs/dbraw/zinc/72/24/74/603722474.db2.gz WNXQMRGITXTLRC-HOCLYGCPSA-N -1 1 393.484 2.030 20 0 GEADMM Cc1cc(C=O)c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000826266638 607649107 /nfs/dbraw/zinc/64/91/07/607649107.db2.gz WORIRKRWZQTQAD-UHFFFAOYSA-N -1 1 376.369 2.203 20 0 GEADMM Cc1cc(C=O)c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000826266638 607649109 /nfs/dbraw/zinc/64/91/09/607649109.db2.gz WORIRKRWZQTQAD-UHFFFAOYSA-N -1 1 376.369 2.203 20 0 GEADMM Cc1nnc(SCC(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)[nH]1 ZINC000830678049 603750525 /nfs/dbraw/zinc/75/05/25/603750525.db2.gz LTJMWMHSFGBPRY-AWEZNQCLSA-N -1 1 377.470 2.454 20 0 GEADMM Cc1n[nH]c(SCC(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000830678049 603750529 /nfs/dbraw/zinc/75/05/29/603750529.db2.gz LTJMWMHSFGBPRY-AWEZNQCLSA-N -1 1 377.470 2.454 20 0 GEADMM Cc1ccc(O[C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292065 607651042 /nfs/dbraw/zinc/65/10/42/607651042.db2.gz GRDRYVLWDZOCCJ-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1ccc(O[C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292065 607651043 /nfs/dbraw/zinc/65/10/43/607651043.db2.gz GRDRYVLWDZOCCJ-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(F)cc1 ZINC000827993510 603806825 /nfs/dbraw/zinc/80/68/25/603806825.db2.gz DENHMTVEMHINPJ-HMQMGEFJSA-N -1 1 378.448 2.401 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829310388 603812502 /nfs/dbraw/zinc/81/25/02/603812502.db2.gz HUAYSMKAHOEZTN-VQIMIIECSA-N -1 1 379.432 2.040 20 0 GEADMM CCOC(=O)c1ccccc1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000827348625 603834510 /nfs/dbraw/zinc/83/45/10/603834510.db2.gz ARGFPQVEZDJCQO-UHFFFAOYSA-N -1 1 377.441 2.312 20 0 GEADMM CN(C(=O)[O-])[C@H]1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000827881195 603849227 /nfs/dbraw/zinc/84/92/27/603849227.db2.gz AMWUOSDCHTYBMW-JTQLQIEISA-N -1 1 385.346 2.204 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@]3(C)CCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826059728 603879054 /nfs/dbraw/zinc/87/90/54/603879054.db2.gz ZDHRBZDXOUVVDI-VWKPWSFCSA-N -1 1 389.496 2.302 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])N(C)C)c1 ZINC000829543012 603888187 /nfs/dbraw/zinc/88/81/87/603888187.db2.gz CGYDCGWUHPZWPH-DOTOQJQBSA-N -1 1 378.473 2.082 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)cc1F ZINC000829510454 603888326 /nfs/dbraw/zinc/88/83/26/603888326.db2.gz JOJYZIDKVGXANS-UHFFFAOYSA-N -1 1 384.341 2.454 20 0 GEADMM COCc1cccc(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c1 ZINC000829044569 603888625 /nfs/dbraw/zinc/88/86/25/603888625.db2.gz JXBVNNMMCNNIAR-UHFFFAOYSA-N -1 1 380.378 2.452 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829543392 603890436 /nfs/dbraw/zinc/89/04/36/603890436.db2.gz JLKVELFHHKIVDQ-XIRDDKMYSA-N -1 1 378.473 2.033 20 0 GEADMM O=C([O-])NC[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000832403271 603897667 /nfs/dbraw/zinc/89/76/67/603897667.db2.gz QDDXRKNMANUILL-LJQANCHMSA-N -1 1 382.464 2.214 20 0 GEADMM CNc1snc(C)c1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000828593770 603912593 /nfs/dbraw/zinc/91/25/93/603912593.db2.gz IZRCMMRMAKTKIQ-UHFFFAOYSA-N -1 1 387.425 2.298 20 0 GEADMM CNc1snc(C)c1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000828593770 603912595 /nfs/dbraw/zinc/91/25/95/603912595.db2.gz IZRCMMRMAKTKIQ-UHFFFAOYSA-N -1 1 387.425 2.298 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CSc3ccncc3)cc2)n1 ZINC000832729290 603913796 /nfs/dbraw/zinc/91/37/96/603913796.db2.gz FBBADTMZWKNPEH-UHFFFAOYSA-N -1 1 384.421 2.365 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CSc3ccncc3)cc2)n[nH]1 ZINC000832729290 603913798 /nfs/dbraw/zinc/91/37/98/603913798.db2.gz FBBADTMZWKNPEH-UHFFFAOYSA-N -1 1 384.421 2.365 20 0 GEADMM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000832350325 603935406 /nfs/dbraw/zinc/93/54/06/603935406.db2.gz QGVFGYSDZMAJGR-OKZBNKHCSA-N -1 1 381.517 2.306 20 0 GEADMM Cc1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1NC(=O)[O-] ZINC000830237246 603957040 /nfs/dbraw/zinc/95/70/40/603957040.db2.gz HBGSSZNYVZSTFX-UHFFFAOYSA-N -1 1 389.389 2.264 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2c(F)cc(C=O)cc2F)c1-c1nn[n-]n1 ZINC000826303959 607664187 /nfs/dbraw/zinc/66/41/87/607664187.db2.gz OJKDKNXDWUUCBV-UHFFFAOYSA-N -1 1 380.332 2.034 20 0 GEADMM CCS[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825669427 607665376 /nfs/dbraw/zinc/66/53/76/607665376.db2.gz XTRZEKZXPGSLEE-NEPJUHHUSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825669427 607665378 /nfs/dbraw/zinc/66/53/78/607665378.db2.gz XTRZEKZXPGSLEE-NEPJUHHUSA-N -1 1 385.490 2.348 20 0 GEADMM O=C([O-])NC1(C(=O)NCCc2nc3ccc(F)cc3[nH]2)Cc2ccccc2C1 ZINC000832172025 604058781 /nfs/dbraw/zinc/05/87/81/604058781.db2.gz HMOGYZUCIBXKMT-UHFFFAOYSA-N -1 1 382.395 2.166 20 0 GEADMM O=C([O-])NCCCOC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000832630268 604076567 /nfs/dbraw/zinc/07/65/67/604076567.db2.gz ZQBIPMWNQAHKDK-UHFFFAOYSA-N -1 1 390.415 2.495 20 0 GEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825889006 604102058 /nfs/dbraw/zinc/10/20/58/604102058.db2.gz SGKWARVLKMYXED-KONPQCLYSA-N -1 1 383.533 2.455 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000825217486 604112232 /nfs/dbraw/zinc/11/22/32/604112232.db2.gz GAWZFFFLGPVJDF-JKSUJKDBSA-N -1 1 389.500 2.124 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1)C(=O)[O-] ZINC000827170087 604143444 /nfs/dbraw/zinc/14/34/44/604143444.db2.gz HPFMXNKKSWGMHS-KRWDZBQOSA-N -1 1 390.484 2.373 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000825427799 604147392 /nfs/dbraw/zinc/14/73/92/604147392.db2.gz ZINNNODJKJMSLG-GJZGRUSLSA-N -1 1 376.457 2.201 20 0 GEADMM O=C([O-])N[C@H](CNC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000832135249 604153512 /nfs/dbraw/zinc/15/35/12/604153512.db2.gz JPUWJPUGKGAECD-OAHLLOKOSA-N -1 1 380.408 2.280 20 0 GEADMM O=C([O-])N[C@H](CNC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000832135249 604153516 /nfs/dbraw/zinc/15/35/16/604153516.db2.gz JPUWJPUGKGAECD-OAHLLOKOSA-N -1 1 380.408 2.280 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000825265846 604177702 /nfs/dbraw/zinc/17/77/02/604177702.db2.gz UKQXFQVDLMOEHL-UONOGXRCSA-N -1 1 383.876 2.203 20 0 GEADMM Cc1cc(CC(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)[O-])c2)n[nH]1 ZINC000830031250 604189154 /nfs/dbraw/zinc/18/91/54/604189154.db2.gz UFGTUQHYCYTNDR-MRXNPFEDSA-N -1 1 386.408 2.199 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000825255980 604190137 /nfs/dbraw/zinc/19/01/37/604190137.db2.gz STLYFIMZISOQIT-LJIGWXMPSA-N -1 1 375.469 2.383 20 0 GEADMM Cc1cc(CC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)[O-])n[nH]1 ZINC000830029214 604190827 /nfs/dbraw/zinc/19/08/27/604190827.db2.gz FVBLVIUXXHCMIF-AWEZNQCLSA-N -1 1 386.408 2.199 20 0 GEADMM CCC(CC)[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)OC ZINC000825097409 607679411 /nfs/dbraw/zinc/67/94/11/607679411.db2.gz WLEJIRMCFLWXKC-ZDUSSCGKSA-N -1 1 385.465 2.125 20 0 GEADMM CCC(CC)[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)OC ZINC000825097409 607679412 /nfs/dbraw/zinc/67/94/12/607679412.db2.gz WLEJIRMCFLWXKC-ZDUSSCGKSA-N -1 1 385.465 2.125 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)CCO2)n[nH]1 ZINC000830304662 604334005 /nfs/dbraw/zinc/33/40/05/604334005.db2.gz VBFXOVAMEZUYSC-GFCCVEGCSA-N -1 1 378.364 2.202 20 0 GEADMM CCCc1nc([C@@H]2CN(C(=O)C[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000826953775 604385595 /nfs/dbraw/zinc/38/55/95/604385595.db2.gz LPHNDSGYTVCQRR-ZNMIVQPWSA-N -1 1 393.488 2.073 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)C[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n1 ZINC000826953775 604385598 /nfs/dbraw/zinc/38/55/98/604385598.db2.gz LPHNDSGYTVCQRR-ZNMIVQPWSA-N -1 1 393.488 2.073 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826885610 604455989 /nfs/dbraw/zinc/45/59/89/604455989.db2.gz DGSHBWWFCJZBBZ-QZTJIDSGSA-N -1 1 391.512 2.495 20 0 GEADMM COc1ccc(CCCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(OC)c1 ZINC000630221262 604463150 /nfs/dbraw/zinc/46/31/50/604463150.db2.gz WSEPJIBKDARHHP-OAHLLOKOSA-N -1 1 378.469 2.034 20 0 GEADMM CCOc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)nc2nc(C(F)(F)F)nn21 ZINC000652479532 604473975 /nfs/dbraw/zinc/47/39/75/604473975.db2.gz ZRNKDUNTAMSOGO-NSHDSACASA-N -1 1 399.373 2.229 20 0 GEADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1N1CCCC1=O ZINC000266312974 604501209 /nfs/dbraw/zinc/50/12/09/604501209.db2.gz SXSYNGYSCBYJCD-UHFFFAOYSA-N -1 1 394.405 2.222 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000827375499 604546664 /nfs/dbraw/zinc/54/66/64/604546664.db2.gz XEQYJLUTVMOIFU-GFCCVEGCSA-N -1 1 396.875 2.055 20 0 GEADMM C[C@@H]1CCCC[C@H]1NC(=O)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833610632 604618047 /nfs/dbraw/zinc/61/80/47/604618047.db2.gz FWVCQZKXMMOKQH-JUXOCIIHSA-N -1 1 387.524 2.390 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1Cn1c(C)nc2ccccc21)C(=O)[O-] ZINC000833639223 604618141 /nfs/dbraw/zinc/61/81/41/604618141.db2.gz NFDKQEZLMXPUTB-UVFQYZLESA-N -1 1 386.496 2.425 20 0 GEADMM CN(C(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000833686308 604618818 /nfs/dbraw/zinc/61/88/18/604618818.db2.gz SUWXZPKWEGKIMK-JOCHJYFZSA-N -1 1 387.524 2.487 20 0 GEADMM CC1(C)CN(C2(CNC(=O)N3CCC[C@@H]3CC(=O)[O-])CCCCC2)CCO1 ZINC000828074815 604684159 /nfs/dbraw/zinc/68/41/59/604684159.db2.gz RXYTVWXXEPLSGY-MRXNPFEDSA-N -1 1 381.517 2.449 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cn1 ZINC000833766652 604689111 /nfs/dbraw/zinc/68/91/11/604689111.db2.gz YLMIRYAWZPRDNZ-UHFFFAOYSA-N -1 1 389.433 2.253 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000827380015 604702213 /nfs/dbraw/zinc/70/22/13/604702213.db2.gz ONJQRRXQUXESCR-INIZCTEOSA-N -1 1 390.480 2.003 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CCO1 ZINC000825329509 604703577 /nfs/dbraw/zinc/70/35/77/604703577.db2.gz ZKAJZDQEZZFUOG-ZUZCIYMTSA-N -1 1 378.816 2.227 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ncccc1Br ZINC000831949817 604797442 /nfs/dbraw/zinc/79/74/42/604797442.db2.gz HKAQGEZEMQCVMC-UHFFFAOYSA-N -1 1 393.240 2.413 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N(C(C)C)C1CCCC1 ZINC000826294750 607716022 /nfs/dbraw/zinc/71/60/22/607716022.db2.gz BABCEZWZLPZJDG-UHFFFAOYSA-N -1 1 395.467 2.065 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)Nc1ccc(C)c(C)c1 ZINC000826295025 607716365 /nfs/dbraw/zinc/71/63/65/607716365.db2.gz NMEDWMZLIAUTGG-UHFFFAOYSA-N -1 1 389.419 2.141 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)Nc1c(C)cccc1C ZINC000826294915 607719551 /nfs/dbraw/zinc/71/95/51/607719551.db2.gz JJILWTCCLMHZHY-UHFFFAOYSA-N -1 1 389.419 2.141 20 0 GEADMM CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1(C(=O)[O-])CCCCC1 ZINC000833684484 604876521 /nfs/dbraw/zinc/87/65/21/604876521.db2.gz FJQADFQELLVJSB-UHFFFAOYSA-N -1 1 389.477 2.321 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000630220939 604929521 /nfs/dbraw/zinc/92/95/21/604929521.db2.gz SBWVKHKQCGYKOE-LLVKDONJSA-N -1 1 387.249 2.138 20 0 GEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000833549901 604933386 /nfs/dbraw/zinc/93/33/86/604933386.db2.gz ICJCSNBBZHVRCT-AWEZNQCLSA-N -1 1 375.473 2.049 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000830159691 604950016 /nfs/dbraw/zinc/95/00/16/604950016.db2.gz HNIIZCYJHNSZEK-OCCSQVGLSA-N -1 1 389.481 2.377 20 0 GEADMM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000829069673 604980495 /nfs/dbraw/zinc/98/04/95/604980495.db2.gz QGOZJYYNVXUYOZ-RDTXWAMCSA-N -1 1 379.844 2.394 20 0 GEADMM O=C([O-])[C@@H](NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccnc1 ZINC000833169057 605000148 /nfs/dbraw/zinc/00/01/48/605000148.db2.gz DGDCUAVOQKAGLZ-SFHVURJKSA-N -1 1 389.477 2.172 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000833416186 605002516 /nfs/dbraw/zinc/00/25/16/605002516.db2.gz YOVZLRKLLKKWFP-LBPRGKRZSA-N -1 1 389.477 2.035 20 0 GEADMM CCc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)n[nH]1 ZINC000833673682 605021256 /nfs/dbraw/zinc/02/12/56/605021256.db2.gz LQLAQEGMLVWYKS-NSHDSACASA-N -1 1 383.412 2.442 20 0 GEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000833480221 605040266 /nfs/dbraw/zinc/04/02/66/605040266.db2.gz PSFDOBQSJGPUBA-YOEHRIQHSA-N -1 1 394.491 2.437 20 0 GEADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000833625894 605041786 /nfs/dbraw/zinc/04/17/86/605041786.db2.gz NOSFOQUKPHKPKB-ZWNOBZJWSA-N -1 1 394.415 2.411 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000833624222 605044247 /nfs/dbraw/zinc/04/42/47/605044247.db2.gz JSPFRHUCBDBCPH-CYBMUJFWSA-N -1 1 385.411 2.021 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCN(C)c1ccccc1 ZINC000833622050 605045393 /nfs/dbraw/zinc/04/53/93/605045393.db2.gz DUHMBIVYXRYDMT-QGZVFWFLSA-N -1 1 376.501 2.093 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000833622647 605048275 /nfs/dbraw/zinc/04/82/75/605048275.db2.gz FKDWMXVPRHOQJQ-IMFGXOCKSA-N -1 1 389.496 2.345 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(Br)cc1 ZINC000833627321 605053283 /nfs/dbraw/zinc/05/32/83/605053283.db2.gz WGSHIAUYIXSHOI-ZDUSSCGKSA-N -1 1 398.301 2.182 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1SCCc2ccccc21 ZINC000833621299 605054427 /nfs/dbraw/zinc/05/44/27/605054427.db2.gz ADTRNDQSIPQRRP-RHSMWYFYSA-N -1 1 377.510 2.207 20 0 GEADMM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833756749 605060329 /nfs/dbraw/zinc/06/03/29/605060329.db2.gz OXVGMALMJKPGQN-UHFFFAOYSA-N -1 1 378.392 2.492 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(COC2CCOCC2)c1 ZINC000833623867 605100370 /nfs/dbraw/zinc/10/03/70/605100370.db2.gz GPZMLNLGCVWMTM-INIZCTEOSA-N -1 1 390.480 2.003 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCc2cccnc2)cc1 ZINC000833622613 605108991 /nfs/dbraw/zinc/10/89/91/605108991.db2.gz CAKJTRGSGXUDAD-MRXNPFEDSA-N -1 1 383.448 2.282 20 0 GEADMM CN(C)C(=O)CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833687458 605131151 /nfs/dbraw/zinc/13/11/51/605131151.db2.gz GWHQIQJBIBJAKT-INIZCTEOSA-N -1 1 388.295 2.215 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000833625221 605155812 /nfs/dbraw/zinc/15/58/12/605155812.db2.gz KCFVHQOPSFVMCK-INIZCTEOSA-N -1 1 382.464 2.471 20 0 GEADMM CC(=O)c1ccc(OCCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833401993 605159440 /nfs/dbraw/zinc/15/94/40/605159440.db2.gz XINLMTGGBRGKJU-OAHLLOKOSA-N -1 1 376.453 2.056 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833628620 605187314 /nfs/dbraw/zinc/18/73/14/605187314.db2.gz MDVHGXCTBQVTHX-GFCCVEGCSA-N -1 1 389.374 2.005 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1SC(F)F ZINC000833629575 605189347 /nfs/dbraw/zinc/18/93/47/605189347.db2.gz XKGLHHQFXLCKAW-LBPRGKRZSA-N -1 1 387.452 2.421 20 0 GEADMM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])CCN1C ZINC000833598647 605192451 /nfs/dbraw/zinc/19/24/51/605192451.db2.gz WEIJRBGBFQGCNO-STQMWFEESA-N -1 1 377.466 2.036 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1nc(-c2ccncc2)no1 ZINC000833468413 605199841 /nfs/dbraw/zinc/19/98/41/605199841.db2.gz CCZZXPJJWLXMTG-CYBMUJFWSA-N -1 1 392.393 2.098 20 0 GEADMM CCOC(=O)N(C)C1CCN(Cc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000833658493 605202906 /nfs/dbraw/zinc/20/29/06/605202906.db2.gz DPLNVYWQXXUBGN-UHFFFAOYSA-N -1 1 378.425 2.224 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000833618336 605207373 /nfs/dbraw/zinc/20/73/73/605207373.db2.gz ASXZFZOEQAHLOR-BMIGLBTASA-N -1 1 375.252 2.034 20 0 GEADMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833541742 605251379 /nfs/dbraw/zinc/25/13/79/605251379.db2.gz FCPNWLAVBOCCTC-OLZOCXBDSA-N -1 1 388.386 2.480 20 0 GEADMM C[C@@H]1CN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCN1CCC(=O)[O-] ZINC000833623810 605259035 /nfs/dbraw/zinc/25/90/35/605259035.db2.gz RDYRXMLTNMGWKS-CYBMUJFWSA-N -1 1 384.436 2.235 20 0 GEADMM C[C@@H](CS(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)C(=O)[O-] ZINC000833517727 605267287 /nfs/dbraw/zinc/26/72/87/605267287.db2.gz CMJLEDWFAHNXJG-JSGCOSHPSA-N -1 1 384.502 2.082 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000833767816 605267321 /nfs/dbraw/zinc/26/73/21/605267321.db2.gz QTQXMNSJVIQWKT-YOEHRIQHSA-N -1 1 385.468 2.028 20 0 GEADMM O=S(=O)(NCC1(C2CC2)CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489237 607746851 /nfs/dbraw/zinc/74/68/51/607746851.db2.gz KUGMNYUAQPGXLA-UHFFFAOYSA-N -1 1 387.387 2.354 20 0 GEADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)CCOC4CN(C(=O)[O-])C4)C3)[nH]c2c1 ZINC000833907956 605313858 /nfs/dbraw/zinc/31/38/58/605313858.db2.gz YBFAEENBYAGWKI-CQSZACIVSA-N -1 1 386.452 2.346 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C[C@H](c4cccc(F)c4)CC3=O)C[C@H]21 ZINC000834179425 605327813 /nfs/dbraw/zinc/32/78/13/605327813.db2.gz HVFAWOFSSRYBLN-JOCBIADPSA-N -1 1 375.444 2.467 20 0 GEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)N3CCN(C4CCCC4)CC3)cc2C1 ZINC000834195329 605359644 /nfs/dbraw/zinc/35/96/44/605359644.db2.gz KDUZFIAFVWHBEB-OAHLLOKOSA-N -1 1 387.484 2.299 20 0 GEADMM O=C([O-])N1CC[C@](F)(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834085075 605374525 /nfs/dbraw/zinc/37/45/25/605374525.db2.gz PHYJWKMXGBPYIC-AUUYWEPGSA-N -1 1 387.415 2.270 20 0 GEADMM CN(C)[C@@H](CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827993535 605378906 /nfs/dbraw/zinc/37/89/06/605378906.db2.gz DMVZMBCMQHPEDE-CVEARBPZSA-N -1 1 383.876 2.218 20 0 GEADMM O=C([O-])N1CCO[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000831752487 605385844 /nfs/dbraw/zinc/38/58/44/605385844.db2.gz KLWUVQFPLASEGN-VIFPVBQESA-N -1 1 379.594 2.125 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)CCNC(=O)[O-] ZINC000833861802 605427784 /nfs/dbraw/zinc/42/77/84/605427784.db2.gz NWWPURWUSXRUHT-AWEZNQCLSA-N -1 1 393.488 2.005 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)N3CCSc4ccccc43)C[C@@H]21 ZINC000834189738 605433496 /nfs/dbraw/zinc/43/34/96/605433496.db2.gz UZUAHCLTMWOMGU-SOUVJXGZSA-N -1 1 375.494 2.493 20 0 GEADMM Nn1c(SC[C@H]2CCN(C(=O)[O-])C2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000831265183 605449733 /nfs/dbraw/zinc/44/97/33/605449733.db2.gz BYAVSQPQKDZOFI-NSHDSACASA-N -1 1 385.453 2.141 20 0 GEADMM O=C([O-])N1CCC(n2cc(C(=O)Nc3[nH]nc4c3cccc4Cl)nn2)CC1 ZINC000831806171 605452781 /nfs/dbraw/zinc/45/27/81/605452781.db2.gz LWOGYKQBAOGDHB-UHFFFAOYSA-N -1 1 389.803 2.375 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000834190855 605453231 /nfs/dbraw/zinc/45/32/31/605453231.db2.gz XLUATGOMCRAWOM-VNQPRFMTSA-N -1 1 389.452 2.155 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)NC(C)(C)CNC(=O)[O-])N1CCCC1 ZINC000829596730 605560270 /nfs/dbraw/zinc/56/02/70/605560270.db2.gz BAAMRUWFPPVPGX-HNNXBMFYSA-N -1 1 378.473 2.178 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(C2CC2)CCC1 ZINC000826328489 607762842 /nfs/dbraw/zinc/76/28/42/607762842.db2.gz SKJGDDJGJVFUSL-UHFFFAOYSA-N -1 1 394.483 2.155 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(C2CC2)CCC1 ZINC000826328489 607762843 /nfs/dbraw/zinc/76/28/43/607762843.db2.gz SKJGDDJGJVFUSL-UHFFFAOYSA-N -1 1 394.483 2.155 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CN(CCC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000833817148 605675355 /nfs/dbraw/zinc/67/53/55/605675355.db2.gz GJOPLRHIOLJFLS-GOEBONIOSA-N -1 1 385.505 2.381 20 0 GEADMM O=C([O-])N1CC(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000834034253 605738557 /nfs/dbraw/zinc/73/85/57/605738557.db2.gz RCRWNEWJKNISCM-INIZCTEOSA-N -1 1 380.876 2.386 20 0 GEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc(OC)c1C(C)C ZINC000833727090 605790816 /nfs/dbraw/zinc/79/08/16/605790816.db2.gz OWIIUKARKRCKBC-CQSZACIVSA-N -1 1 378.469 2.448 20 0 GEADMM O=C([O-])N1CCC(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000834081672 605820607 /nfs/dbraw/zinc/82/06/07/605820607.db2.gz DVUJPOJLCXGDFL-HNNXBMFYSA-N -1 1 384.440 2.461 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C[C@H]3CSCCS3)cc2)n1 ZINC000834247048 605871659 /nfs/dbraw/zinc/87/16/59/605871659.db2.gz MZIJHGWEEMHNLH-LBPRGKRZSA-N -1 1 393.494 2.417 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C[C@H]3CSCCS3)cc2)n[nH]1 ZINC000834247048 605871662 /nfs/dbraw/zinc/87/16/62/605871662.db2.gz MZIJHGWEEMHNLH-LBPRGKRZSA-N -1 1 393.494 2.417 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832814 605881212 /nfs/dbraw/zinc/88/12/12/605881212.db2.gz UQIPBGYISIBRCQ-RBSFLKMASA-N -1 1 388.468 2.118 20 0 GEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000833831915 605896784 /nfs/dbraw/zinc/89/67/84/605896784.db2.gz QMBRPWKQGQIOQO-GHMZBOCLSA-N -1 1 391.365 2.439 20 0 GEADMM O=C(CN1CCC2(C1)CCN(C(=O)[O-])CC2)NCCCOC1CCCCC1 ZINC000834008061 605900189 /nfs/dbraw/zinc/90/01/89/605900189.db2.gz RWCAFXVRBMTMQC-UHFFFAOYSA-N -1 1 381.517 2.308 20 0 GEADMM O=C([O-])N1CCC2(CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)C2)CC1 ZINC000834006343 605900863 /nfs/dbraw/zinc/90/08/63/605900863.db2.gz AFLDAWGEXJITBP-UHFFFAOYSA-N -1 1 389.452 2.252 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830082 605907191 /nfs/dbraw/zinc/90/71/91/605907191.db2.gz JMBLWWYFPKDNHC-HZSPNIEDSA-N -1 1 377.441 2.153 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596106 605938656 /nfs/dbraw/zinc/93/86/56/605938656.db2.gz IMJXWGMGTPGVDE-CZUORRHYSA-N -1 1 399.422 2.242 20 0 GEADMM O=C([O-])NCCCn1ccc2cc(C(=O)N[C@H]3CCc4nc[nH]c4C3)ccc21 ZINC000834238476 605960095 /nfs/dbraw/zinc/96/00/95/605960095.db2.gz NLHHWYZNNNPFMT-HNNXBMFYSA-N -1 1 381.436 2.309 20 0 GEADMM O=C([O-])NCc1nc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cs1 ZINC000834249634 605976336 /nfs/dbraw/zinc/97/63/36/605976336.db2.gz VALTWKHXBAQQLY-UHFFFAOYSA-N -1 1 390.465 2.120 20 0 GEADMM CSc1nnc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)s1 ZINC000445706556 649963906 /nfs/dbraw/zinc/96/39/06/649963906.db2.gz FSRSIYJHOCPDDS-UHFFFAOYSA-N -1 1 385.471 2.063 20 0 GEADMM COCc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cs1 ZINC000821696540 606021456 /nfs/dbraw/zinc/02/14/56/606021456.db2.gz HMABPHIPIBESMM-UHFFFAOYSA-N -1 1 388.840 2.486 20 0 GEADMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000833825185 606039082 /nfs/dbraw/zinc/03/90/82/606039082.db2.gz BNGYYKYIFIQVGR-ACJLOTCBSA-N -1 1 375.404 2.444 20 0 GEADMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000833825185 606039088 /nfs/dbraw/zinc/03/90/88/606039088.db2.gz BNGYYKYIFIQVGR-ACJLOTCBSA-N -1 1 375.404 2.444 20 0 GEADMM CNC(=O)c1ccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nn1 ZINC000821635207 606041435 /nfs/dbraw/zinc/04/14/35/606041435.db2.gz RESPDDRAVPXVBU-UHFFFAOYSA-N -1 1 392.448 2.357 20 0 GEADMM O=C([O-])N1CCC[C@H](Nc2ccc3[nH]c(CCN4CCOCC4)nc3c2)CC1 ZINC000834109346 606052537 /nfs/dbraw/zinc/05/25/37/606052537.db2.gz YSNZIPGPQIGCAR-HNNXBMFYSA-N -1 1 387.484 2.382 20 0 GEADMM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)COC4)cc2C1 ZINC000834195041 606080094 /nfs/dbraw/zinc/08/00/94/606080094.db2.gz VXOUTRITZJJUGO-CQSZACIVSA-N -1 1 389.433 2.038 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000822005026 606118564 /nfs/dbraw/zinc/11/85/64/606118564.db2.gz NJIZILNZKGQMKJ-HNNXBMFYSA-N -1 1 381.440 2.039 20 0 GEADMM O=C(COC(=O)CCC1CCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018879 606133072 /nfs/dbraw/zinc/13/30/72/606133072.db2.gz ZPRREIWAPKLZQC-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM O=C(COC(=O)CCC1CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018879 606133075 /nfs/dbraw/zinc/13/30/75/606133075.db2.gz ZPRREIWAPKLZQC-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822356627 606136682 /nfs/dbraw/zinc/13/66/82/606136682.db2.gz WNUPRBZFODPUKJ-LBPRGKRZSA-N -1 1 385.449 2.441 20 0 GEADMM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822356627 606136683 /nfs/dbraw/zinc/13/66/83/606136683.db2.gz WNUPRBZFODPUKJ-LBPRGKRZSA-N -1 1 385.449 2.441 20 0 GEADMM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821611225 606137776 /nfs/dbraw/zinc/13/77/76/606137776.db2.gz WNPKZZXXZKWIIZ-UHFFFAOYSA-N -1 1 397.869 2.459 20 0 GEADMM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821611225 606137777 /nfs/dbraw/zinc/13/77/77/606137777.db2.gz WNPKZZXXZKWIIZ-UHFFFAOYSA-N -1 1 397.869 2.459 20 0 GEADMM CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821222801 606137875 /nfs/dbraw/zinc/13/78/75/606137875.db2.gz ZWBUJFCJYJCHEY-UHFFFAOYSA-N -1 1 389.412 2.273 20 0 GEADMM CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821222801 606137876 /nfs/dbraw/zinc/13/78/76/606137876.db2.gz ZWBUJFCJYJCHEY-UHFFFAOYSA-N -1 1 389.412 2.273 20 0 GEADMM Cn1cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822694004 606145004 /nfs/dbraw/zinc/14/50/04/606145004.db2.gz QYISKAVWFAPDNA-MRXNPFEDSA-N -1 1 390.444 2.260 20 0 GEADMM CN(Cc1ccc[nH]1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821612556 606146232 /nfs/dbraw/zinc/14/62/32/606146232.db2.gz ZIGREQOWCVSURO-UHFFFAOYSA-N -1 1 386.359 2.034 20 0 GEADMM CCc1cnc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000821497532 606146699 /nfs/dbraw/zinc/14/66/99/606146699.db2.gz VLBUXTVQCHIDFF-UHFFFAOYSA-N -1 1 398.901 2.360 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCO[C@H]2CCCc3ccccc32)n1 ZINC000822613150 606155593 /nfs/dbraw/zinc/15/55/93/606155593.db2.gz BLIWZIIUVHZPOL-INIZCTEOSA-N -1 1 396.455 2.206 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCO[C@H]2CCCc3ccccc32)n1 ZINC000822613150 606155595 /nfs/dbraw/zinc/15/55/95/606155595.db2.gz BLIWZIIUVHZPOL-INIZCTEOSA-N -1 1 396.455 2.206 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)n1 ZINC000822604816 606157429 /nfs/dbraw/zinc/15/74/29/606157429.db2.gz LQNWJHPJPSNATJ-UHFFFAOYSA-N -1 1 382.403 2.451 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)n1 ZINC000822604816 606157431 /nfs/dbraw/zinc/15/74/31/606157431.db2.gz LQNWJHPJPSNATJ-UHFFFAOYSA-N -1 1 382.403 2.451 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)CC2CCOCC2)n1 ZINC000822604569 606164653 /nfs/dbraw/zinc/16/46/53/606164653.db2.gz HKZWPYQTCRYUQT-UHFFFAOYSA-N -1 1 396.455 2.061 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)CC2CCOCC2)n1 ZINC000822604569 606164654 /nfs/dbraw/zinc/16/46/54/606164654.db2.gz HKZWPYQTCRYUQT-UHFFFAOYSA-N -1 1 396.455 2.061 20 0 GEADMM FC(F)(F)c1cccc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)c1 ZINC000822728733 606164995 /nfs/dbraw/zinc/16/49/95/606164995.db2.gz LIQOIYBMSZXZCC-GFCCVEGCSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1cccc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)c1 ZINC000822728733 606164997 /nfs/dbraw/zinc/16/49/97/606164997.db2.gz LIQOIYBMSZXZCC-GFCCVEGCSA-N -1 1 377.330 2.253 20 0 GEADMM COc1cc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1Br ZINC000821719718 606165573 /nfs/dbraw/zinc/16/55/73/606165573.db2.gz IIKNRJRUYCDMJX-UHFFFAOYSA-N -1 1 393.205 2.015 20 0 GEADMM COc1cc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1Br ZINC000821719718 606165575 /nfs/dbraw/zinc/16/55/75/606165575.db2.gz IIKNRJRUYCDMJX-UHFFFAOYSA-N -1 1 393.205 2.015 20 0 GEADMM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361454 606172897 /nfs/dbraw/zinc/17/28/97/606172897.db2.gz UYKUQJCFUNCNTJ-KGLIPLIRSA-N -1 1 388.476 2.192 20 0 GEADMM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361454 606172899 /nfs/dbraw/zinc/17/28/99/606172899.db2.gz UYKUQJCFUNCNTJ-KGLIPLIRSA-N -1 1 388.476 2.192 20 0 GEADMM Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccc(-c4nnn[n-]4)s3)c2)cn1 ZINC000822669878 606177779 /nfs/dbraw/zinc/17/77/79/606177779.db2.gz SYXDTVVTUPXEFG-UHFFFAOYSA-N -1 1 395.404 2.133 20 0 GEADMM Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000822669878 606177781 /nfs/dbraw/zinc/17/77/81/606177781.db2.gz SYXDTVVTUPXEFG-UHFFFAOYSA-N -1 1 395.404 2.133 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2ccccc2C1 ZINC000822004163 606183072 /nfs/dbraw/zinc/18/30/72/606183072.db2.gz BNQAJJXQBKARPP-UHFFFAOYSA-N -1 1 378.436 2.102 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)n1 ZINC000821990305 606195111 /nfs/dbraw/zinc/19/51/11/606195111.db2.gz RDJMBMOBJFIWCU-UHFFFAOYSA-N -1 1 385.453 2.272 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1cc(Cl)ccc1Br ZINC000822904154 606197105 /nfs/dbraw/zinc/19/71/05/606197105.db2.gz SZCWKZAVMDBILB-UHFFFAOYSA-N -1 1 396.636 2.334 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1)NC1CC1 ZINC000823363898 606197462 /nfs/dbraw/zinc/19/74/62/606197462.db2.gz QQYDFQFWRDEODM-UHFFFAOYSA-N -1 1 379.380 2.109 20 0 GEADMM C[C@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726672 606201798 /nfs/dbraw/zinc/20/17/98/606201798.db2.gz AFPCEYDAEOWJTM-QFYYESIMSA-N -1 1 388.428 2.003 20 0 GEADMM C[C@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726672 606201800 /nfs/dbraw/zinc/20/18/00/606201800.db2.gz AFPCEYDAEOWJTM-QFYYESIMSA-N -1 1 388.428 2.003 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000822004114 606294198 /nfs/dbraw/zinc/29/41/98/606294198.db2.gz AQOSVHMGBMRWHW-LLVKDONJSA-N -1 1 398.389 2.318 20 0 GEADMM Cc1ccc(N2C[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1F ZINC000822241178 606294436 /nfs/dbraw/zinc/29/44/36/606294436.db2.gz NJKHOQMZICBUGI-GFCCVEGCSA-N -1 1 396.382 2.011 20 0 GEADMM O=C(Cc1csc(-c2cccnc2)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823118502 606297266 /nfs/dbraw/zinc/29/72/66/606297266.db2.gz BMWXLVDRWDJJFN-UHFFFAOYSA-N -1 1 379.405 2.272 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000823294811 606298597 /nfs/dbraw/zinc/29/85/97/606298597.db2.gz SCJGERUWLJPXOU-UHFFFAOYSA-N -1 1 399.798 2.008 20 0 GEADMM CCc1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1N ZINC000821476067 606379705 /nfs/dbraw/zinc/37/97/05/606379705.db2.gz FZFHMLVIPOLVGO-UHFFFAOYSA-N -1 1 384.396 2.017 20 0 GEADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938520 606380623 /nfs/dbraw/zinc/38/06/23/606380623.db2.gz KRRPXCAYWVNWPL-INIZCTEOSA-N -1 1 394.391 2.038 20 0 GEADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938520 606380624 /nfs/dbraw/zinc/38/06/24/606380624.db2.gz KRRPXCAYWVNWPL-INIZCTEOSA-N -1 1 394.391 2.038 20 0 GEADMM COCCNC(=O)C(=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2[nH]1 ZINC000821691302 606388783 /nfs/dbraw/zinc/38/87/83/606388783.db2.gz PGYKDVSHZINLFX-ZRDIBKRKSA-N -1 1 395.448 2.108 20 0 GEADMM CC[C@H](C)N1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000820875999 606393465 /nfs/dbraw/zinc/39/34/65/606393465.db2.gz JYRYMSPWXZPLPK-XPTSAGLGSA-N -1 1 389.485 2.155 20 0 GEADMM CCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC(C)C)=C1C ZINC000821243004 606393549 /nfs/dbraw/zinc/39/35/49/606393549.db2.gz YEDMJJZRELYKAZ-CYBMUJFWSA-N -1 1 376.442 2.240 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cc2ccccc2c(Cl)n1 ZINC000821601638 606443574 /nfs/dbraw/zinc/44/35/74/606443574.db2.gz RKNNDZKFVSKRKV-UHFFFAOYSA-N -1 1 383.847 2.443 20 0 GEADMM O=C(NCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000823201863 606449684 /nfs/dbraw/zinc/44/96/84/606449684.db2.gz NFPULQUNSFXHIK-UHFFFAOYSA-N -1 1 378.223 2.410 20 0 GEADMM O=C(NCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000823201863 606449686 /nfs/dbraw/zinc/44/96/86/606449686.db2.gz NFPULQUNSFXHIK-UHFFFAOYSA-N -1 1 378.223 2.410 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000819940022 606458069 /nfs/dbraw/zinc/45/80/69/606458069.db2.gz NPAWUVYJKQPJCJ-SNVBAGLBSA-N -1 1 379.852 2.409 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000819940022 606458070 /nfs/dbraw/zinc/45/80/70/606458070.db2.gz NPAWUVYJKQPJCJ-SNVBAGLBSA-N -1 1 379.852 2.409 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823606544 606474441 /nfs/dbraw/zinc/47/44/41/606474441.db2.gz KSKHYMRZXSTNSH-RYUDHWBXSA-N -1 1 383.474 2.055 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823606544 606474442 /nfs/dbraw/zinc/47/44/42/606474442.db2.gz KSKHYMRZXSTNSH-RYUDHWBXSA-N -1 1 383.474 2.055 20 0 GEADMM CS(=O)(=O)Cc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821933266 606475134 /nfs/dbraw/zinc/47/51/34/606475134.db2.gz YSUOBCOEAOMQIN-UHFFFAOYSA-N -1 1 378.845 2.072 20 0 GEADMM CS(=O)(=O)Cc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821933266 606475136 /nfs/dbraw/zinc/47/51/36/606475136.db2.gz YSUOBCOEAOMQIN-UHFFFAOYSA-N -1 1 378.845 2.072 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC000822693859 606498923 /nfs/dbraw/zinc/49/89/23/606498923.db2.gz MECQNCDWQCKOIU-AWEZNQCLSA-N -1 1 383.412 2.320 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC000822693859 606498924 /nfs/dbraw/zinc/49/89/24/606498924.db2.gz MECQNCDWQCKOIU-AWEZNQCLSA-N -1 1 383.412 2.320 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cn2)C[C@H](C)O1 ZINC000820776253 606511208 /nfs/dbraw/zinc/51/12/08/606511208.db2.gz LHBGMEDWERSRHF-PHIMTYICSA-N -1 1 385.453 2.189 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)C[C@H](C)O1 ZINC000820776253 606511210 /nfs/dbraw/zinc/51/12/10/606511210.db2.gz LHBGMEDWERSRHF-PHIMTYICSA-N -1 1 385.453 2.189 20 0 GEADMM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821662512 606513707 /nfs/dbraw/zinc/51/37/07/606513707.db2.gz GAWWCPZSVIYDDP-UHFFFAOYSA-N -1 1 391.840 2.397 20 0 GEADMM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821662512 606513708 /nfs/dbraw/zinc/51/37/08/606513708.db2.gz GAWWCPZSVIYDDP-UHFFFAOYSA-N -1 1 391.840 2.397 20 0 GEADMM CC1(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000820612723 606530282 /nfs/dbraw/zinc/53/02/82/606530282.db2.gz HRVZVKMCJDQUKQ-UHFFFAOYSA-N -1 1 397.439 2.247 20 0 GEADMM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823253280 606533676 /nfs/dbraw/zinc/53/36/76/606533676.db2.gz FNUZHSYNGFVIHO-UHFFFAOYSA-N -1 1 392.444 2.068 20 0 GEADMM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823253280 606533678 /nfs/dbraw/zinc/53/36/78/606533678.db2.gz FNUZHSYNGFVIHO-UHFFFAOYSA-N -1 1 392.444 2.068 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933425 606543654 /nfs/dbraw/zinc/54/36/54/606543654.db2.gz RFBOKROUGFZTLX-LLVKDONJSA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933425 606543656 /nfs/dbraw/zinc/54/36/56/606543656.db2.gz RFBOKROUGFZTLX-LLVKDONJSA-N -1 1 392.485 2.305 20 0 GEADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(CCO)n1 ZINC000822341342 606547528 /nfs/dbraw/zinc/54/75/28/606547528.db2.gz WCPJQIFGVBZISO-UHFFFAOYSA-N -1 1 395.448 2.345 20 0 GEADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(CCO)n1 ZINC000822341342 606547530 /nfs/dbraw/zinc/54/75/30/606547530.db2.gz WCPJQIFGVBZISO-UHFFFAOYSA-N -1 1 395.448 2.345 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933098 606554110 /nfs/dbraw/zinc/55/41/10/606554110.db2.gz FSKSTXYOSNANIZ-NSHDSACASA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933098 606554112 /nfs/dbraw/zinc/55/41/12/606554112.db2.gz FSKSTXYOSNANIZ-NSHDSACASA-N -1 1 392.485 2.305 20 0 GEADMM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)c3ccc(-c4nnn[n-]4)s3)nnc1-2 ZINC000822704156 606565643 /nfs/dbraw/zinc/56/56/43/606565643.db2.gz IGQRXRVEZVDIDV-UHFFFAOYSA-N -1 1 391.420 2.457 20 0 GEADMM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)c3ccc(-c4nn[n-]n4)s3)nnc1-2 ZINC000822704156 606565644 /nfs/dbraw/zinc/56/56/44/606565644.db2.gz IGQRXRVEZVDIDV-UHFFFAOYSA-N -1 1 391.420 2.457 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000821979482 606585421 /nfs/dbraw/zinc/58/54/21/606585421.db2.gz SHUIQGIZPOYEFC-SSDOTTSWSA-N -1 1 392.391 2.458 20 0 GEADMM CC(C)CC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000820051007 606606135 /nfs/dbraw/zinc/60/61/35/606606135.db2.gz IZTIMROLXRKGQY-UHFFFAOYSA-N -1 1 387.488 2.453 20 0 GEADMM O=C(NCc1nc(CNCc2ccc(-c3nnn[n-]3)o2)cs1)c1ccccc1 ZINC000823270086 606628819 /nfs/dbraw/zinc/62/88/19/606628819.db2.gz YBVBUCQZXXPQME-UHFFFAOYSA-N -1 1 395.448 2.136 20 0 GEADMM O=C(NCc1nc(CNCc2ccc(-c3nn[n-]n3)o2)cs1)c1ccccc1 ZINC000823270086 606628820 /nfs/dbraw/zinc/62/88/20/606628820.db2.gz YBVBUCQZXXPQME-UHFFFAOYSA-N -1 1 395.448 2.136 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000823656817 606638226 /nfs/dbraw/zinc/63/82/26/606638226.db2.gz JMNMBXURLUZJHA-UHFFFAOYSA-N -1 1 399.208 2.494 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823436018 606649001 /nfs/dbraw/zinc/64/90/01/606649001.db2.gz DZVCTRQDTCMZMR-CQSZACIVSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823436018 606649002 /nfs/dbraw/zinc/64/90/02/606649002.db2.gz DZVCTRQDTCMZMR-CQSZACIVSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000823436479 606649933 /nfs/dbraw/zinc/64/99/33/606649933.db2.gz XHCJYZDNQPPFJX-UHFFFAOYSA-N -1 1 398.810 2.399 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000823436479 606649934 /nfs/dbraw/zinc/64/99/34/606649934.db2.gz XHCJYZDNQPPFJX-UHFFFAOYSA-N -1 1 398.810 2.399 20 0 GEADMM O=C(COc1cccc(C(F)(F)F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823043979 606650731 /nfs/dbraw/zinc/65/07/31/606650731.db2.gz NZAWARSPWMRGSZ-UHFFFAOYSA-N -1 1 379.298 2.403 20 0 GEADMM O=C(COc1cccc(C(F)(F)F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823043979 606650732 /nfs/dbraw/zinc/65/07/32/606650732.db2.gz NZAWARSPWMRGSZ-UHFFFAOYSA-N -1 1 379.298 2.403 20 0 GEADMM CCn1cc(Br)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821565202 606650923 /nfs/dbraw/zinc/65/09/23/606650923.db2.gz IPEFDPQUKBIKEH-UHFFFAOYSA-N -1 1 377.202 2.203 20 0 GEADMM CCn1cc(Br)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821565202 606650924 /nfs/dbraw/zinc/65/09/24/606650924.db2.gz IPEFDPQUKBIKEH-UHFFFAOYSA-N -1 1 377.202 2.203 20 0 GEADMM CCN(CC)C(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821175425 606651022 /nfs/dbraw/zinc/65/10/22/606651022.db2.gz MWNVBCNNMPNVKI-UHFFFAOYSA-N -1 1 380.408 2.101 20 0 GEADMM CCN(CC)C(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821175425 606651023 /nfs/dbraw/zinc/65/10/23/606651023.db2.gz MWNVBCNNMPNVKI-UHFFFAOYSA-N -1 1 380.408 2.101 20 0 GEADMM O=C(COc1ccc(C(F)(F)F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823040416 606651605 /nfs/dbraw/zinc/65/16/05/606651605.db2.gz KGETWPIRXGWJFJ-UHFFFAOYSA-N -1 1 379.298 2.403 20 0 GEADMM O=C(COc1ccc(C(F)(F)F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823040416 606651606 /nfs/dbraw/zinc/65/16/06/606651606.db2.gz KGETWPIRXGWJFJ-UHFFFAOYSA-N -1 1 379.298 2.403 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1Cc1ccccc1 ZINC000822020680 606651654 /nfs/dbraw/zinc/65/16/54/606651654.db2.gz GQMUJGBZXBREJG-UHFFFAOYSA-N -1 1 375.392 2.172 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1Cc1ccccc1 ZINC000822020680 606651655 /nfs/dbraw/zinc/65/16/55/606651655.db2.gz GQMUJGBZXBREJG-UHFFFAOYSA-N -1 1 375.392 2.172 20 0 GEADMM C[C@@H]1Sc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2NC1=O ZINC000820819096 606653278 /nfs/dbraw/zinc/65/32/78/606653278.db2.gz DYDWGZOPXUEDLX-VIFPVBQESA-N -1 1 382.405 2.051 20 0 GEADMM C[C@@H]1Sc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2NC1=O ZINC000820819096 606653279 /nfs/dbraw/zinc/65/32/79/606653279.db2.gz DYDWGZOPXUEDLX-VIFPVBQESA-N -1 1 382.405 2.051 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nnn1-c1ccccc1Cl ZINC000822020905 606653477 /nfs/dbraw/zinc/65/34/77/606653477.db2.gz NFUKQIZVQSLTLZ-UHFFFAOYSA-N -1 1 396.798 2.161 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nnn1-c1ccccc1Cl ZINC000822020905 606653478 /nfs/dbraw/zinc/65/34/78/606653478.db2.gz NFUKQIZVQSLTLZ-UHFFFAOYSA-N -1 1 396.798 2.161 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820379357 606697081 /nfs/dbraw/zinc/69/70/81/606697081.db2.gz BJPXBYHLEIAAQA-GFCCVEGCSA-N -1 1 381.444 2.083 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820379357 606697082 /nfs/dbraw/zinc/69/70/82/606697082.db2.gz BJPXBYHLEIAAQA-GFCCVEGCSA-N -1 1 381.444 2.083 20 0 GEADMM Cc1oc(NC(=O)COC(=O)Cc2ccc(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000822547777 606760307 /nfs/dbraw/zinc/76/03/07/606760307.db2.gz CSJCCBWDDRCGIQ-UHFFFAOYSA-N -1 1 391.334 2.079 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(Cl)s1 ZINC000820804298 606785276 /nfs/dbraw/zinc/78/52/76/606785276.db2.gz PUTDNMYUOBCCDS-JTQLQIEISA-N -1 1 376.877 2.082 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(Cl)s1 ZINC000820804298 606785278 /nfs/dbraw/zinc/78/52/78/606785278.db2.gz PUTDNMYUOBCCDS-JTQLQIEISA-N -1 1 376.877 2.082 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000819940256 606787949 /nfs/dbraw/zinc/78/79/49/606787949.db2.gz UUUKHWQEACWFAT-JTQLQIEISA-N -1 1 379.852 2.409 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000819940256 606787951 /nfs/dbraw/zinc/78/79/51/606787951.db2.gz UUUKHWQEACWFAT-JTQLQIEISA-N -1 1 379.852 2.409 20 0 GEADMM Cc1ccc(OCCN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822263698 606840721 /nfs/dbraw/zinc/84/07/21/606840721.db2.gz XCSKYWJRHPAXGS-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM COc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821777449 606840772 /nfs/dbraw/zinc/84/07/72/606840772.db2.gz FNYYHMNHXXPAHM-LLVKDONJSA-N -1 1 391.428 2.396 20 0 GEADMM Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822327377 606840815 /nfs/dbraw/zinc/84/08/15/606840815.db2.gz HEYZUUNKBSFXNC-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM CCCCCC(C)(C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821042539 606855842 /nfs/dbraw/zinc/85/58/42/606855842.db2.gz DPFGOGYBKDHYQZ-AWEZNQCLSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCCC(C)(C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821042539 606855844 /nfs/dbraw/zinc/85/58/44/606855844.db2.gz DPFGOGYBKDHYQZ-AWEZNQCLSA-N -1 1 386.504 2.300 20 0 GEADMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c3nn[nH]n3)cc1F)CC2 ZINC000822274682 606890542 /nfs/dbraw/zinc/89/05/42/606890542.db2.gz FVZZHWOSCYLYPV-HNNXBMFYSA-N -1 1 391.403 2.419 20 0 GEADMM CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821343797 607019860 /nfs/dbraw/zinc/01/98/60/607019860.db2.gz SZSGIANEXCBFSI-UHFFFAOYSA-N -1 1 378.392 2.031 20 0 GEADMM CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821343797 607019862 /nfs/dbraw/zinc/01/98/62/607019862.db2.gz SZSGIANEXCBFSI-UHFFFAOYSA-N -1 1 378.392 2.031 20 0 GEADMM O=C(CCNc1c2ccccc2nnc1-c1nnn[n-]1)OCc1ccccc1 ZINC000822968904 607032292 /nfs/dbraw/zinc/03/22/92/607032292.db2.gz DPJBXPNYEIQFCN-UHFFFAOYSA-N -1 1 375.392 2.355 20 0 GEADMM O=C(CCNc1c2ccccc2nnc1-c1nn[n-]n1)OCc1ccccc1 ZINC000822968904 607032294 /nfs/dbraw/zinc/03/22/94/607032294.db2.gz DPJBXPNYEIQFCN-UHFFFAOYSA-N -1 1 375.392 2.355 20 0 GEADMM CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1cnccn1 ZINC000821565470 607036832 /nfs/dbraw/zinc/03/68/32/607036832.db2.gz UPXOPUJGFSMXLF-UHFFFAOYSA-N -1 1 386.832 2.135 20 0 GEADMM CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1cnccn1 ZINC000821565470 607036834 /nfs/dbraw/zinc/03/68/34/607036834.db2.gz UPXOPUJGFSMXLF-UHFFFAOYSA-N -1 1 386.832 2.135 20 0 GEADMM CC[C@@H](Cc1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820915210 607050709 /nfs/dbraw/zinc/05/07/09/607050709.db2.gz TWASXOAOAPRDIE-HNNXBMFYSA-N -1 1 386.481 2.294 20 0 GEADMM CC[C@@H](Cc1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820915210 607050711 /nfs/dbraw/zinc/05/07/11/607050711.db2.gz TWASXOAOAPRDIE-HNNXBMFYSA-N -1 1 386.481 2.294 20 0 GEADMM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823119001 607105539 /nfs/dbraw/zinc/10/55/39/607105539.db2.gz ZTWRNGSWDNPCQM-UHFFFAOYSA-N -1 1 395.235 2.459 20 0 GEADMM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823119001 607105541 /nfs/dbraw/zinc/10/55/41/607105541.db2.gz ZTWRNGSWDNPCQM-UHFFFAOYSA-N -1 1 395.235 2.459 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000823382637 607105674 /nfs/dbraw/zinc/10/56/74/607105674.db2.gz BMHHELBVMVFLGG-UHFFFAOYSA-N -1 1 389.404 2.285 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnn2c1nccc2-c1ccccc1 ZINC000823382637 607105675 /nfs/dbraw/zinc/10/56/75/607105675.db2.gz BMHHELBVMVFLGG-UHFFFAOYSA-N -1 1 389.404 2.285 20 0 GEADMM O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822963884 607108645 /nfs/dbraw/zinc/10/86/45/607108645.db2.gz AHYGOMJVMFPXKB-UHFFFAOYSA-N -1 1 382.409 2.335 20 0 GEADMM O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822963884 607108646 /nfs/dbraw/zinc/10/86/46/607108646.db2.gz AHYGOMJVMFPXKB-UHFFFAOYSA-N -1 1 382.409 2.335 20 0 GEADMM Cc1nc(C)c(C(=O)COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000822427272 607111926 /nfs/dbraw/zinc/11/19/26/607111926.db2.gz HSLMRQTZZVMEOU-UHFFFAOYSA-N -1 1 396.363 2.203 20 0 GEADMM Cc1nc(C)c(C(=O)COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000822427272 607111927 /nfs/dbraw/zinc/11/19/27/607111927.db2.gz HSLMRQTZZVMEOU-UHFFFAOYSA-N -1 1 396.363 2.203 20 0 GEADMM COc1cc(N[C@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)cc(OC)c1 ZINC000821720806 607118936 /nfs/dbraw/zinc/11/89/36/607118936.db2.gz XVSQARYIMHFLJL-ZDUSSCGKSA-N -1 1 381.440 2.360 20 0 GEADMM COc1cc(N[C@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)cc(OC)c1 ZINC000821720806 607118937 /nfs/dbraw/zinc/11/89/37/607118937.db2.gz XVSQARYIMHFLJL-ZDUSSCGKSA-N -1 1 381.440 2.360 20 0 GEADMM COc1cc(N[C@@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)cc(OC)c1 ZINC000821720805 607118964 /nfs/dbraw/zinc/11/89/64/607118964.db2.gz XVSQARYIMHFLJL-CYBMUJFWSA-N -1 1 381.440 2.360 20 0 GEADMM COc1cc(N[C@@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)cc(OC)c1 ZINC000821720805 607118966 /nfs/dbraw/zinc/11/89/66/607118966.db2.gz XVSQARYIMHFLJL-CYBMUJFWSA-N -1 1 381.440 2.360 20 0 GEADMM C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820299190 607128585 /nfs/dbraw/zinc/12/85/85/607128585.db2.gz DGKRJCJCMSJFMF-SNVBAGLBSA-N -1 1 387.241 2.385 20 0 GEADMM C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820299190 607128586 /nfs/dbraw/zinc/12/85/86/607128586.db2.gz DGKRJCJCMSJFMF-SNVBAGLBSA-N -1 1 387.241 2.385 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1cccc(C)c1 ZINC000822288786 607162622 /nfs/dbraw/zinc/16/26/22/607162622.db2.gz JNOBWZMBTLBNJF-HNNXBMFYSA-N -1 1 392.419 2.331 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1cccc(C)c1 ZINC000822288786 607162625 /nfs/dbraw/zinc/16/26/25/607162625.db2.gz JNOBWZMBTLBNJF-HNNXBMFYSA-N -1 1 392.419 2.331 20 0 GEADMM CC(=O)Nc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000819818069 607165633 /nfs/dbraw/zinc/16/56/33/607165633.db2.gz PTXWQOZQGCAJPY-UHFFFAOYSA-N -1 1 388.387 2.023 20 0 GEADMM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820122104 607208578 /nfs/dbraw/zinc/20/85/78/607208578.db2.gz ZZJHEYBYXZODGL-UHFFFAOYSA-N -1 1 395.254 2.202 20 0 GEADMM C[C@@H](c1ccc2ccccc2c1)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000820562541 607210282 /nfs/dbraw/zinc/21/02/82/607210282.db2.gz GOZMWAWTUZEKSL-ZDUSSCGKSA-N -1 1 388.435 2.364 20 0 GEADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1Oc1ccccc1 ZINC000820334811 607212401 /nfs/dbraw/zinc/21/24/01/607212401.db2.gz QPXRZTXTVNEQGC-CYBMUJFWSA-N -1 1 390.407 2.128 20 0 GEADMM CC(C)Oc1cc(CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)ccn1 ZINC000824318936 607774230 /nfs/dbraw/zinc/77/42/30/607774230.db2.gz AVRZUNDJOOZPOB-UHFFFAOYSA-N -1 1 379.424 2.249 20 0 GEADMM CC(C)Oc1cc(CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)ccn1 ZINC000824318936 607774231 /nfs/dbraw/zinc/77/42/31/607774231.db2.gz AVRZUNDJOOZPOB-UHFFFAOYSA-N -1 1 379.424 2.249 20 0 GEADMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825371738 607797562 /nfs/dbraw/zinc/79/75/62/607797562.db2.gz JOEHUKKMVHTJJJ-UHFFFAOYSA-N -1 1 399.480 2.378 20 0 GEADMM Cc1nc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)sc1C ZINC000826327029 607820262 /nfs/dbraw/zinc/82/02/62/607820262.db2.gz PDEFSTWUJXXKCO-UHFFFAOYSA-N -1 1 382.906 2.377 20 0 GEADMM Cc1nc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)sc1C ZINC000826327029 607820263 /nfs/dbraw/zinc/82/02/63/607820263.db2.gz PDEFSTWUJXXKCO-UHFFFAOYSA-N -1 1 382.906 2.377 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCc1ccncc1C ZINC000826319689 607855918 /nfs/dbraw/zinc/85/59/18/607855918.db2.gz NUKFCYJVSHOTDK-UHFFFAOYSA-N -1 1 377.408 2.235 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCc1ccncc1C ZINC000826319689 607855919 /nfs/dbraw/zinc/85/59/19/607855919.db2.gz NUKFCYJVSHOTDK-UHFFFAOYSA-N -1 1 377.408 2.235 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(N)cc2F)c1-c1nn[n-]n1 ZINC000826332845 607856643 /nfs/dbraw/zinc/85/66/43/607856643.db2.gz KCWYJKIUSJTPKR-UHFFFAOYSA-N -1 1 393.382 2.439 20 0 GEADMM CCOC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2-c2nnn[n-]2)c1C ZINC000825553797 607864536 /nfs/dbraw/zinc/86/45/36/607864536.db2.gz WXTDSJNGSATEEJ-UHFFFAOYSA-N -1 1 387.371 2.389 20 0 GEADMM CCOC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2-c2nn[n-]n2)c1C ZINC000825553797 607864537 /nfs/dbraw/zinc/86/45/37/607864537.db2.gz WXTDSJNGSATEEJ-UHFFFAOYSA-N -1 1 387.371 2.389 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCCOC1CCCCC1 ZINC000826418613 607864861 /nfs/dbraw/zinc/86/48/61/607864861.db2.gz OJSGRFQFEYHQOS-UHFFFAOYSA-N -1 1 377.420 2.240 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCCOC1CCCCC1 ZINC000826418613 607864862 /nfs/dbraw/zinc/86/48/62/607864862.db2.gz OJSGRFQFEYHQOS-UHFFFAOYSA-N -1 1 377.420 2.240 20 0 GEADMM O=S(=O)(NCCC1Cc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491089 607906601 /nfs/dbraw/zinc/90/66/01/607906601.db2.gz SWTACMWEVZGYFJ-UHFFFAOYSA-N -1 1 387.440 2.089 20 0 GEADMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc1C(C)C ZINC000825577401 607964086 /nfs/dbraw/zinc/96/40/86/607964086.db2.gz VZRTWSLDYVJRKO-UHFFFAOYSA-N -1 1 387.425 2.271 20 0 GEADMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc1C(C)C ZINC000825577401 607964087 /nfs/dbraw/zinc/96/40/87/607964087.db2.gz VZRTWSLDYVJRKO-UHFFFAOYSA-N -1 1 387.425 2.271 20 0 GEADMM Cc1oc(NC(=O)COC(=O)C2CCC(F)(F)CC2)c(-c2nn[n-]n2)c1C ZINC000826342241 607977701 /nfs/dbraw/zinc/97/77/01/607977701.db2.gz CCCGGWWQANXRAA-UHFFFAOYSA-N -1 1 383.355 2.384 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]nc1-c1c(F)cccc1F ZINC000826450833 607997554 /nfs/dbraw/zinc/99/75/54/607997554.db2.gz FSCKZKUMDAGKDI-UHFFFAOYSA-N -1 1 383.318 2.493 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000826450987 607997572 /nfs/dbraw/zinc/99/75/72/607997572.db2.gz LMRLRUPEVYOMOZ-CYBMUJFWSA-N -1 1 398.810 2.217 20 0 GEADMM COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826103494 607997989 /nfs/dbraw/zinc/99/79/89/607997989.db2.gz IDCQTWJUHLUXMT-JTQLQIEISA-N -1 1 399.432 2.478 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000826450852 607999533 /nfs/dbraw/zinc/99/95/33/607999533.db2.gz GOORKYOLDVTJHV-SFHVURJKSA-N -1 1 395.419 2.448 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ncccc1OCC(F)(F)F ZINC000826451853 607999760 /nfs/dbraw/zinc/99/97/60/607999760.db2.gz YZASAUYCMRKZDG-UHFFFAOYSA-N -1 1 380.286 2.161 20 0 GEADMM CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000825717420 608055337 /nfs/dbraw/zinc/05/53/37/608055337.db2.gz KDXFBXUOUVDYPW-UHFFFAOYSA-N -1 1 378.385 2.345 20 0 GEADMM CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000825717420 608055338 /nfs/dbraw/zinc/05/53/38/608055338.db2.gz KDXFBXUOUVDYPW-UHFFFAOYSA-N -1 1 378.385 2.345 20 0 GEADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(C(=O)c2ccccc2)c1 ZINC000824052374 608077566 /nfs/dbraw/zinc/07/75/66/608077566.db2.gz NVQFEVQVXBBTLO-GFCCVEGCSA-N -1 1 387.403 2.320 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1scnc1C1CC1 ZINC000826232854 608102134 /nfs/dbraw/zinc/10/21/34/608102134.db2.gz LAAFKODZFWAVFY-UHFFFAOYSA-N -1 1 385.453 2.489 20 0 GEADMM CCCn1c(C)nnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000825356623 608110787 /nfs/dbraw/zinc/11/07/87/608110787.db2.gz BARZQZPYYLMEFJ-UHFFFAOYSA-N -1 1 384.831 2.193 20 0 GEADMM CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029092 608121371 /nfs/dbraw/zinc/12/13/71/608121371.db2.gz OCUZMLGALHMRMN-WFASDCNBSA-N -1 1 390.419 2.382 20 0 GEADMM Cc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)cc1 ZINC000826286042 608125308 /nfs/dbraw/zinc/12/53/08/608125308.db2.gz QSOKPLQZZVITAJ-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM O=C(N[C@H](CO)C1CC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826426605 608174841 /nfs/dbraw/zinc/17/48/41/608174841.db2.gz RHHDGLYBSGIPPG-OAHLLOKOSA-N -1 1 383.383 2.299 20 0 GEADMM O=C(N[C@H](CO)C1CC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826426605 608174842 /nfs/dbraw/zinc/17/48/42/608174842.db2.gz RHHDGLYBSGIPPG-OAHLLOKOSA-N -1 1 383.383 2.299 20 0 GEADMM O=S(=O)(CCCNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000826484681 608176774 /nfs/dbraw/zinc/17/67/74/608176774.db2.gz LDCOZXVVEBYXBB-UHFFFAOYSA-N -1 1 398.901 2.394 20 0 GEADMM O=S(=O)(CCCNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000826484681 608176775 /nfs/dbraw/zinc/17/67/75/608176775.db2.gz LDCOZXVVEBYXBB-UHFFFAOYSA-N -1 1 398.901 2.394 20 0 GEADMM NC(=O)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1Cl ZINC000826389465 608182881 /nfs/dbraw/zinc/18/28/81/608182881.db2.gz YZGOBYBUEJKURX-MRVPVSSYSA-N -1 1 398.279 2.386 20 0 GEADMM NC(=O)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1Cl ZINC000826389465 608182883 /nfs/dbraw/zinc/18/28/83/608182883.db2.gz YZGOBYBUEJKURX-MRVPVSSYSA-N -1 1 398.279 2.386 20 0 GEADMM CCNC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccccc21 ZINC000825476676 608204734 /nfs/dbraw/zinc/20/47/34/608204734.db2.gz RUEWSFJGEUUNPF-UHFFFAOYSA-N -1 1 393.432 2.478 20 0 GEADMM CCNC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc21 ZINC000825476676 608204736 /nfs/dbraw/zinc/20/47/36/608204736.db2.gz RUEWSFJGEUUNPF-UHFFFAOYSA-N -1 1 393.432 2.478 20 0 GEADMM CC[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825082736 608210837 /nfs/dbraw/zinc/21/08/37/608210837.db2.gz VGGIMFNSRYOLEG-CYBMUJFWSA-N -1 1 382.472 2.147 20 0 GEADMM CC[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825082736 608210839 /nfs/dbraw/zinc/21/08/39/608210839.db2.gz VGGIMFNSRYOLEG-CYBMUJFWSA-N -1 1 382.472 2.147 20 0 GEADMM Cc1ccccc1[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826306429 608212087 /nfs/dbraw/zinc/21/20/87/608212087.db2.gz YPLGYWCOYSRHOM-CYBMUJFWSA-N -1 1 382.472 2.065 20 0 GEADMM Cc1ccccc1[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826306429 608212090 /nfs/dbraw/zinc/21/20/90/608212090.db2.gz YPLGYWCOYSRHOM-CYBMUJFWSA-N -1 1 382.472 2.065 20 0 GEADMM CN1CCO[C@@H]([C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045102 608235301 /nfs/dbraw/zinc/23/53/01/608235301.db2.gz PFRJMNLIOKYXEC-WBVHZDCISA-N -1 1 385.859 2.399 20 0 GEADMM COc1ccc(-c2nc(SCCSC)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826182022 608291736 /nfs/dbraw/zinc/29/17/36/608291736.db2.gz XCKWSEZNOBVXKP-UHFFFAOYSA-N -1 1 376.467 2.493 20 0 GEADMM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824447666 608308800 /nfs/dbraw/zinc/30/88/00/608308800.db2.gz AHMNSXLNJBNASU-VIFPVBQESA-N -1 1 390.245 2.180 20 0 GEADMM C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824447666 608308801 /nfs/dbraw/zinc/30/88/01/608308801.db2.gz AHMNSXLNJBNASU-VIFPVBQESA-N -1 1 390.245 2.180 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CSc2cccc(Br)c2)n1 ZINC000826356666 608309978 /nfs/dbraw/zinc/30/99/78/608309978.db2.gz AIMIRVBXNUIRIM-UHFFFAOYSA-N -1 1 394.258 2.094 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CSc2cccc(Br)c2)n1 ZINC000826356666 608309980 /nfs/dbraw/zinc/30/99/80/608309980.db2.gz AIMIRVBXNUIRIM-UHFFFAOYSA-N -1 1 394.258 2.094 20 0 GEADMM Cc1nc([C@H]2CCCN2Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)no1 ZINC000826324664 608312892 /nfs/dbraw/zinc/31/28/92/608312892.db2.gz AEHHVTRHVZLCQS-OAHLLOKOSA-N -1 1 391.439 2.389 20 0 GEADMM C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824776912 608391251 /nfs/dbraw/zinc/39/12/51/608391251.db2.gz FPPYKKJSRAUNOB-GFCCVEGCSA-N -1 1 393.480 2.150 20 0 GEADMM C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824776912 608391253 /nfs/dbraw/zinc/39/12/53/608391253.db2.gz FPPYKKJSRAUNOB-GFCCVEGCSA-N -1 1 393.480 2.150 20 0 GEADMM CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000825788444 608434316 /nfs/dbraw/zinc/43/43/16/608434316.db2.gz QSIUCRCHBYEZAR-UHFFFAOYSA-N -1 1 395.452 2.307 20 0 GEADMM CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000825788444 608434317 /nfs/dbraw/zinc/43/43/17/608434317.db2.gz QSIUCRCHBYEZAR-UHFFFAOYSA-N -1 1 395.452 2.307 20 0 GEADMM O[C@H](CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000826502929 608436279 /nfs/dbraw/zinc/43/62/79/608436279.db2.gz MUFSTBAUTWDAAL-OAHLLOKOSA-N -1 1 379.449 2.458 20 0 GEADMM O[C@H](CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000826502929 608436280 /nfs/dbraw/zinc/43/62/80/608436280.db2.gz MUFSTBAUTWDAAL-OAHLLOKOSA-N -1 1 379.449 2.458 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000826467513 608457189 /nfs/dbraw/zinc/45/71/89/608457189.db2.gz ZQBPMKJJZOHVOY-UHFFFAOYSA-N -1 1 398.386 2.353 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000826467513 608457191 /nfs/dbraw/zinc/45/71/91/608457191.db2.gz ZQBPMKJJZOHVOY-UHFFFAOYSA-N -1 1 398.386 2.353 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2cc(F)ccc2C1 ZINC000826494446 608565635 /nfs/dbraw/zinc/56/56/35/608565635.db2.gz CLVZHYDBLWSEIQ-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM COc1ccsc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826221881 608590097 /nfs/dbraw/zinc/59/00/97/608590097.db2.gz ZLFPQZYRUSBCTC-UHFFFAOYSA-N -1 1 387.469 2.124 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000826472572 608607207 /nfs/dbraw/zinc/60/72/07/608607207.db2.gz OVBXEVHOWUXVQW-UHFFFAOYSA-N -1 1 382.399 2.222 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000826472572 608607209 /nfs/dbraw/zinc/60/72/09/608607209.db2.gz OVBXEVHOWUXVQW-UHFFFAOYSA-N -1 1 382.399 2.222 20 0 GEADMM Cc1ccc(Cc2nc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)cs2)cc1 ZINC000826288827 608667633 /nfs/dbraw/zinc/66/76/33/608667633.db2.gz YGCDXMBYNVQJKC-UHFFFAOYSA-N -1 1 380.437 2.208 20 0 GEADMM Cc1ccc(Cc2nc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)cs2)cc1 ZINC000826288827 608667634 /nfs/dbraw/zinc/66/76/34/608667634.db2.gz YGCDXMBYNVQJKC-UHFFFAOYSA-N -1 1 380.437 2.208 20 0 GEADMM O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826455128 608721219 /nfs/dbraw/zinc/72/12/19/608721219.db2.gz ABEDQIHTIUTOAN-MRXNPFEDSA-N -1 1 394.435 2.388 20 0 GEADMM O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826455128 608721222 /nfs/dbraw/zinc/72/12/22/608721222.db2.gz ABEDQIHTIUTOAN-MRXNPFEDSA-N -1 1 394.435 2.388 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(Br)n2)n1 ZINC000824148541 608832624 /nfs/dbraw/zinc/83/26/24/608832624.db2.gz ZEPOWJDVPSXTCI-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(Br)n2)n1 ZINC000824148541 608832625 /nfs/dbraw/zinc/83/26/25/608832625.db2.gz ZEPOWJDVPSXTCI-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM CN(C(=O)Cn1ccnc1-c1nnn[n-]1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000825820403 608887840 /nfs/dbraw/zinc/88/78/40/608887840.db2.gz DCLNTQVEHNSQNU-SFHVURJKSA-N -1 1 391.410 2.450 20 0 GEADMM CN(C(=O)Cn1ccnc1-c1nn[n-]n1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000825820403 608887842 /nfs/dbraw/zinc/88/78/42/608887842.db2.gz DCLNTQVEHNSQNU-SFHVURJKSA-N -1 1 391.410 2.450 20 0 GEADMM Cc1ccc(S(=O)(=O)c2ccc(Cn3ccnc3-c3nnn[n-]3)cc2)cc1 ZINC000826293018 608890277 /nfs/dbraw/zinc/89/02/77/608890277.db2.gz XGIGLKLSHHKUSJ-UHFFFAOYSA-N -1 1 380.433 2.253 20 0 GEADMM Cc1ccc(S(=O)(=O)c2ccc(Cn3ccnc3-c3nn[n-]n3)cc2)cc1 ZINC000826293018 608890278 /nfs/dbraw/zinc/89/02/78/608890278.db2.gz XGIGLKLSHHKUSJ-UHFFFAOYSA-N -1 1 380.433 2.253 20 0 GEADMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824457214 609158164 /nfs/dbraw/zinc/15/81/64/609158164.db2.gz HHKATYQCCDNIFH-VIFPVBQESA-N -1 1 394.361 2.372 20 0 GEADMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824457214 609158165 /nfs/dbraw/zinc/15/81/65/609158165.db2.gz HHKATYQCCDNIFH-VIFPVBQESA-N -1 1 394.361 2.372 20 0 GEADMM Fc1ccc(-c2nnc3n2C[C@H](Nc2cccc(-c4nnn[n-]4)n2)CC3)cc1 ZINC000826372982 609172960 /nfs/dbraw/zinc/17/29/60/609172960.db2.gz UQJXCSBATGZUNY-CYBMUJFWSA-N -1 1 377.387 2.086 20 0 GEADMM Fc1ccc(-c2nnc3n2C[C@H](Nc2cccc(-c4nn[n-]n4)n2)CC3)cc1 ZINC000826372982 609172962 /nfs/dbraw/zinc/17/29/62/609172962.db2.gz UQJXCSBATGZUNY-CYBMUJFWSA-N -1 1 377.387 2.086 20 0 GEADMM CC(C)(C)c1nnc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000824142837 609278170 /nfs/dbraw/zinc/27/81/70/609278170.db2.gz XKZGHPQBSQKIQJ-UHFFFAOYSA-N -1 1 383.391 2.484 20 0 GEADMM C[C@@H]1C[C@H](C)CN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824875314 609278453 /nfs/dbraw/zinc/27/84/53/609278453.db2.gz LGRCGFDXIOLSJL-BETUJISGSA-N -1 1 398.446 2.108 20 0 GEADMM CC(C)n1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000824371864 609286904 /nfs/dbraw/zinc/28/69/04/609286904.db2.gz WNZKQBRQSRKBJB-UHFFFAOYSA-N -1 1 381.375 2.221 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccnc(Cl)c1 ZINC000826459046 609288288 /nfs/dbraw/zinc/28/82/88/609288288.db2.gz SIVGFEKNYFZPJW-UHFFFAOYSA-N -1 1 384.762 2.492 20 0 GEADMM C[C@H]1CC[C@@H](CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000824908900 609289119 /nfs/dbraw/zinc/28/91/19/609289119.db2.gz RIGPFBQTEVNTSK-RYUDHWBXSA-N -1 1 385.403 2.478 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1noc2c1CCCC2 ZINC000826459157 609290172 /nfs/dbraw/zinc/29/01/72/609290172.db2.gz XPZZGNMVHUKACJ-UHFFFAOYSA-N -1 1 394.370 2.311 20 0 GEADMM COc1ccccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826219320 609290669 /nfs/dbraw/zinc/29/06/69/609290669.db2.gz YNXLONOUZUJLJD-UHFFFAOYSA-N -1 1 379.355 2.452 20 0 GEADMM CC[C@@H]1C[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000825184685 609290860 /nfs/dbraw/zinc/29/08/60/609290860.db2.gz YBCFLCKJMLAKSF-VXGBXAGGSA-N -1 1 385.403 2.335 20 0 GEADMM O=C(CCc1cccnc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826408933 609291235 /nfs/dbraw/zinc/29/12/35/609291235.db2.gz AJTLEPRTFAMWMI-UHFFFAOYSA-N -1 1 378.371 2.158 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccccc2-n2cccn2)cc1-c1nn[n-]n1 ZINC000826229523 609296507 /nfs/dbraw/zinc/29/65/07/609296507.db2.gz HYIGNSIPYIOXFR-UHFFFAOYSA-N -1 1 394.420 2.127 20 0 GEADMM CCCCCC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825271852 609298917 /nfs/dbraw/zinc/29/89/17/609298917.db2.gz PEUNUSIKZQKKKB-LBPRGKRZSA-N -1 1 377.497 2.105 20 0 GEADMM CCCCCC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825271852 609298919 /nfs/dbraw/zinc/29/89/19/609298919.db2.gz PEUNUSIKZQKKKB-LBPRGKRZSA-N -1 1 377.497 2.105 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1CCCCCCC1 ZINC000825930789 609301164 /nfs/dbraw/zinc/30/11/64/609301164.db2.gz ZLSMSSSZFPGGTD-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1CCCCCCC1 ZINC000825930789 609301165 /nfs/dbraw/zinc/30/11/65/609301165.db2.gz ZLSMSSSZFPGGTD-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCCC1CCCC1 ZINC000825930371 609304604 /nfs/dbraw/zinc/30/46/04/609304604.db2.gz VFINSCLPNMDBCW-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCCC1CCCC1 ZINC000825930371 609304607 /nfs/dbraw/zinc/30/46/07/609304607.db2.gz VFINSCLPNMDBCW-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM CCc1cnccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825734224 609310949 /nfs/dbraw/zinc/31/09/49/609310949.db2.gz JSWKFLZSZMXNQD-UHFFFAOYSA-N -1 1 378.371 2.401 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1c[nH]c2ncccc12 ZINC000826458263 609313490 /nfs/dbraw/zinc/31/34/90/609313490.db2.gz JQIHUDZJCCYELE-UHFFFAOYSA-N -1 1 389.354 2.320 20 0 GEADMM O=C(CCCn1cccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826406612 609313543 /nfs/dbraw/zinc/31/35/43/609313543.db2.gz FFYAONRERQLRQM-UHFFFAOYSA-N -1 1 380.387 2.412 20 0 GEADMM CCC(CC)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000825106595 609332156 /nfs/dbraw/zinc/33/21/56/609332156.db2.gz GHHRJIWYEGHXEJ-GXTWGEPZSA-N -1 1 397.476 2.268 20 0 GEADMM CCC(CC)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000825106595 609332158 /nfs/dbraw/zinc/33/21/58/609332158.db2.gz GHHRJIWYEGHXEJ-GXTWGEPZSA-N -1 1 397.476 2.268 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H](F)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826342613 609355044 /nfs/dbraw/zinc/35/50/44/609355044.db2.gz SIBBBSAZRDMMJY-ZDUSSCGKSA-N -1 1 387.371 2.139 20 0 GEADMM CC[C@@H]1C[C@H](CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825182331 609399179 /nfs/dbraw/zinc/39/91/79/609399179.db2.gz HYZSSHREWIKXAH-CHWSQXEVSA-N -1 1 391.428 2.154 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCO[C@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000826231320 609403566 /nfs/dbraw/zinc/40/35/66/609403566.db2.gz GVRCIXHHACKNSY-AWEZNQCLSA-N -1 1 388.497 2.358 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cccc(N(C)C)n1 ZINC000826340989 609428070 /nfs/dbraw/zinc/42/80/70/609428070.db2.gz RGYHYBSWFJQUKU-UHFFFAOYSA-N -1 1 378.396 2.272 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cccc(N(C)C)n1 ZINC000826340989 609428071 /nfs/dbraw/zinc/42/80/71/609428071.db2.gz RGYHYBSWFJQUKU-UHFFFAOYSA-N -1 1 378.396 2.272 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826345342 609468928 /nfs/dbraw/zinc/46/89/28/609468928.db2.gz JNFITWLUAPPMBW-SFHVURJKSA-N -1 1 393.382 2.146 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826345342 609468931 /nfs/dbraw/zinc/46/89/31/609468931.db2.gz JNFITWLUAPPMBW-SFHVURJKSA-N -1 1 393.382 2.146 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c1-c1nnn[n-]1 ZINC000826346846 609471029 /nfs/dbraw/zinc/47/10/29/609471029.db2.gz XDYFTWQKCUPDNQ-GFCCVEGCSA-N -1 1 388.815 2.389 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c1-c1nn[n-]n1 ZINC000826346846 609471032 /nfs/dbraw/zinc/47/10/32/609471032.db2.gz XDYFTWQKCUPDNQ-GFCCVEGCSA-N -1 1 388.815 2.389 20 0 GEADMM C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824378098 609527335 /nfs/dbraw/zinc/52/73/35/609527335.db2.gz YMNHDTUODBFLSI-VIFPVBQESA-N -1 1 393.860 2.488 20 0 GEADMM Cc1ccnc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1-c1nn[nH]n1 ZINC000826312127 609558570 /nfs/dbraw/zinc/55/85/70/609558570.db2.gz WNNLXVWQGGJDIQ-NVXWUHKLSA-N -1 1 379.468 2.272 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000824104074 609604093 /nfs/dbraw/zinc/60/40/93/609604093.db2.gz NERJELHXEQQKIH-LBPRGKRZSA-N -1 1 396.455 2.479 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000824104074 609604094 /nfs/dbraw/zinc/60/40/94/609604094.db2.gz NERJELHXEQQKIH-LBPRGKRZSA-N -1 1 396.455 2.479 20 0 GEADMM CN(C)[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000825850685 609622542 /nfs/dbraw/zinc/62/25/42/609622542.db2.gz QKNYRGBEBJAFFG-HNNXBMFYSA-N -1 1 390.806 2.400 20 0 GEADMM CN(C)[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000825850685 609622544 /nfs/dbraw/zinc/62/25/44/609622544.db2.gz QKNYRGBEBJAFFG-HNNXBMFYSA-N -1 1 390.806 2.400 20 0 GEADMM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825052766 609642249 /nfs/dbraw/zinc/64/22/49/609642249.db2.gz YOKSEWIQEZTIAF-QWHCGFSZSA-N -1 1 397.439 2.216 20 0 GEADMM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825052766 609642251 /nfs/dbraw/zinc/64/22/51/609642251.db2.gz YOKSEWIQEZTIAF-QWHCGFSZSA-N -1 1 397.439 2.216 20 0 GEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000447254118 650004136 /nfs/dbraw/zinc/00/41/36/650004136.db2.gz APDLIVMUBJUYSL-UHFFFAOYSA-N -1 1 382.398 2.260 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)o1 ZINC000447715600 650008194 /nfs/dbraw/zinc/00/81/94/650008194.db2.gz PYSMFYMFARFQIA-LBPRGKRZSA-N -1 1 380.319 2.202 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)co1 ZINC000447706920 650008196 /nfs/dbraw/zinc/00/81/96/650008196.db2.gz MJBZCCSBPWXBOC-GFCCVEGCSA-N -1 1 380.319 2.202 20 0 GEADMM O=S(=O)(Cc1ncc(Cl)s1)c1nnc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000447502614 650006922 /nfs/dbraw/zinc/00/69/22/650006922.db2.gz TZRKDFPUGSUFRG-UHFFFAOYSA-N -1 1 398.853 2.327 20 0 GEADMM O=S(=O)(Cc1ncc(Cl)s1)c1n[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000447502614 650006924 /nfs/dbraw/zinc/00/69/24/650006924.db2.gz TZRKDFPUGSUFRG-UHFFFAOYSA-N -1 1 398.853 2.327 20 0 GEADMM COCn1nc(C)c(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)c1C ZINC000451063503 650083118 /nfs/dbraw/zinc/08/31/18/650083118.db2.gz GKMUBXMDWRTXSS-LLVKDONJSA-N -1 1 398.432 2.451 20 0 GEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(F)c(S(C)(=O)=O)c2)no1 ZINC000451093019 650085512 /nfs/dbraw/zinc/08/55/12/650085512.db2.gz DSKIUSHRNJOCEH-UHFFFAOYSA-N -1 1 390.458 2.457 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1sccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000451131163 650089298 /nfs/dbraw/zinc/08/92/98/650089298.db2.gz QDDTXWIZWIPSPB-UHFFFAOYSA-N -1 1 399.925 2.029 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CCSCC2)c(F)c1 ZINC000451151365 650090679 /nfs/dbraw/zinc/09/06/79/650090679.db2.gz VLNGLLCPAJGJCH-UHFFFAOYSA-N -1 1 396.531 2.151 20 0 GEADMM O=C1COc2ccccc2N1CCC[N-]S(=O)(=O)c1sccc1Cl ZINC000451244445 650097674 /nfs/dbraw/zinc/09/76/74/650097674.db2.gz NBYHUMRQRYGRQY-UHFFFAOYSA-N -1 1 386.882 2.496 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2C)c(F)c1 ZINC000451276905 650100146 /nfs/dbraw/zinc/10/01/46/650100146.db2.gz PUMUGIOCBJUOJT-RYUDHWBXSA-N -1 1 378.491 2.396 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CCSC2)c(F)c1 ZINC000451334562 650104577 /nfs/dbraw/zinc/10/45/77/650104577.db2.gz CCKPXHVUGMVIFL-GFCCVEGCSA-N -1 1 396.531 2.103 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](C)SC)c(F)c1 ZINC000451349662 650106060 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CO[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C[C@H]1C ZINC000452845483 650199193 /nfs/dbraw/zinc/19/91/93/650199193.db2.gz RVXDKVAMHMYKQG-NOZJJQNGSA-N -1 1 375.206 2.494 20 0 GEADMM CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(I)c([O-])c1 ZINC000456072061 650329559 /nfs/dbraw/zinc/32/95/59/650329559.db2.gz SEKJOKQGBIKVRB-SECBINFHSA-N -1 1 391.205 2.411 20 0 GEADMM O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1ncccc1[O-] ZINC000458124656 650396525 /nfs/dbraw/zinc/39/65/25/650396525.db2.gz BPLPIASPNPZHJB-LLVKDONJSA-N -1 1 383.217 2.270 20 0 GEADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1F ZINC000504274977 650429564 /nfs/dbraw/zinc/42/95/64/650429564.db2.gz PDSPZXPOZPGLHD-UHFFFAOYSA-N -1 1 392.405 2.233 20 0 GEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000460432462 650442509 /nfs/dbraw/zinc/44/25/09/650442509.db2.gz ZCODNLJPJGOFSS-UHFFFAOYSA-N -1 1 381.841 2.222 20 0 GEADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)n1 ZINC000460557756 650443694 /nfs/dbraw/zinc/44/36/94/650443694.db2.gz JGZPIZAVVOJSNU-UHFFFAOYSA-N -1 1 379.225 2.261 20 0 GEADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000507023229 650453431 /nfs/dbraw/zinc/45/34/31/650453431.db2.gz WWXBSVQZDDNRLI-UHFFFAOYSA-N -1 1 384.479 2.184 20 0 GEADMM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000506677586 650449418 /nfs/dbraw/zinc/44/94/18/650449418.db2.gz VCQCYZYAFATCAL-UHFFFAOYSA-N -1 1 392.861 2.111 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cscc2Br)c1 ZINC000461460146 650454570 /nfs/dbraw/zinc/45/45/70/650454570.db2.gz KHGJZCOETUKQRT-UHFFFAOYSA-N -1 1 391.268 2.377 20 0 GEADMM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000461628402 650457273 /nfs/dbraw/zinc/45/72/73/650457273.db2.gz MTTZBLFFEHHVCT-ZETCQYMHSA-N -1 1 388.653 2.434 20 0 GEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000507567793 650462980 /nfs/dbraw/zinc/46/29/80/650462980.db2.gz NTHKEWMOGVQWOL-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)cc(S(C)(=O)=O)c2)cc1 ZINC000507617858 650465066 /nfs/dbraw/zinc/46/50/66/650465066.db2.gz QRXJVGQKHGILJE-UHFFFAOYSA-N -1 1 385.463 2.298 20 0 GEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)c1 ZINC000508068749 650473315 /nfs/dbraw/zinc/47/33/15/650473315.db2.gz OKXXUKLYHNILOI-ZDUSSCGKSA-N -1 1 385.335 2.002 20 0 GEADMM O=S(=O)([N-][C@@H](CO)CC(F)F)c1c(Cl)cccc1Br ZINC000509255005 650491778 /nfs/dbraw/zinc/49/17/78/650491778.db2.gz NVKGMRIYNANURI-ZCFIWIBFSA-N -1 1 378.622 2.397 20 0 GEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccccc3SCC(N)=O)cc21 ZINC000509272591 650492247 /nfs/dbraw/zinc/49/22/47/650492247.db2.gz ZDZKFJOKZMEQAX-UHFFFAOYSA-N -1 1 377.491 2.057 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)ccc1C ZINC000467094522 650502715 /nfs/dbraw/zinc/50/27/15/650502715.db2.gz VNWWASGGQNGNES-UHFFFAOYSA-N -1 1 382.825 2.335 20 0 GEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Br)c1 ZINC000509905143 650502779 /nfs/dbraw/zinc/50/27/79/650502779.db2.gz NMLHSTYDNDYXNJ-JTQLQIEISA-N -1 1 378.226 2.157 20 0 GEADMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509973375 650504740 /nfs/dbraw/zinc/50/47/40/650504740.db2.gz YWKNRWSWLQOBLX-FSIBCCDJSA-N -1 1 382.265 2.385 20 0 GEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1Br ZINC000509975359 650505120 /nfs/dbraw/zinc/50/51/20/650505120.db2.gz VLTUIBYOSDICAX-JTQLQIEISA-N -1 1 378.226 2.157 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[C@H](C)CO ZINC000510063087 650506194 /nfs/dbraw/zinc/50/61/94/650506194.db2.gz BMBGASAEODLGGI-VIFPVBQESA-N -1 1 384.281 2.467 20 0 GEADMM C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000510656031 650516063 /nfs/dbraw/zinc/51/60/63/650516063.db2.gz DASVFKPUKUUSEK-HSZRJFAPSA-N -1 1 377.409 2.461 20 0 GEADMM Cc1cc(F)c(Br)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000475750479 650537277 /nfs/dbraw/zinc/53/72/77/650537277.db2.gz UOJOKFYIJXYBMJ-UHFFFAOYSA-N -1 1 382.189 2.366 20 0 GEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000476146693 650544803 /nfs/dbraw/zinc/54/48/03/650544803.db2.gz LQOZKGSTIYAGNI-NHYWBVRUSA-N -1 1 396.292 2.480 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)[C@@H]1CCCOC1 ZINC000512405433 650547611 /nfs/dbraw/zinc/54/76/11/650547611.db2.gz KSEIQZFHDOXZPQ-ABAIWWIYSA-N -1 1 393.864 2.257 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000512437896 650548786 /nfs/dbraw/zinc/54/87/86/650548786.db2.gz XZOKVYQPZOJESZ-QMTHXVAHSA-N -1 1 379.837 2.116 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000477149395 650569485 /nfs/dbraw/zinc/56/94/85/650569485.db2.gz KLEPYMYDZUOBOA-ZFWWWQNUSA-N -1 1 384.454 2.032 20 0 GEADMM O=C(CCCCOc1ccc(Br)cc1)NC1(c2nn[n-]n2)CC1 ZINC000477023461 650566268 /nfs/dbraw/zinc/56/62/68/650566268.db2.gz GXKQQDWDRXFUTE-UHFFFAOYSA-N -1 1 380.246 2.317 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000477055603 650567386 /nfs/dbraw/zinc/56/73/86/650567386.db2.gz HCZLGMICQNLVTQ-UHFFFAOYSA-N -1 1 376.136 2.400 20 0 GEADMM C[C@@H](CN(C)C(=O)CSCc1cc(-c2cccs2)on1)c1nn[n-]n1 ZINC000478100542 650582909 /nfs/dbraw/zinc/58/29/09/650582909.db2.gz IVUQURVBLCQBBH-JTQLQIEISA-N -1 1 378.483 2.412 20 0 GEADMM COC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1)C(F)(F)F ZINC000479151607 650597531 /nfs/dbraw/zinc/59/75/31/650597531.db2.gz GMYTUITZAMVCLZ-GFCCVEGCSA-N -1 1 389.779 2.372 20 0 GEADMM COc1ccc(CS(C)(=O)=O)cc1[N-]S(=O)(=O)CCc1cccs1 ZINC000519613909 650609585 /nfs/dbraw/zinc/60/95/85/650609585.db2.gz NRKVINCXWHSEJV-UHFFFAOYSA-N -1 1 389.520 2.286 20 0 GEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc(Cl)c1F ZINC000480221240 650617903 /nfs/dbraw/zinc/61/79/03/650617903.db2.gz GLOWGDJKPUOWHP-UHFFFAOYSA-N -1 1 390.776 2.103 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC3(CCC3)C2)c(F)c1 ZINC000480392116 650620605 /nfs/dbraw/zinc/62/06/05/650620605.db2.gz CBKMJWDQIRSOFU-UHFFFAOYSA-N -1 1 376.475 2.152 20 0 GEADMM CN([C@H]1CCC(C)(C)C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000481256910 650643052 /nfs/dbraw/zinc/64/30/52/650643052.db2.gz LIMBKXHLTOUHMX-LBPRGKRZSA-N -1 1 378.491 2.396 20 0 GEADMM CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000481347940 650644646 /nfs/dbraw/zinc/64/46/46/650644646.db2.gz PMDMLIDRMPKOTC-QWHCGFSZSA-N -1 1 396.531 2.150 20 0 GEADMM CN1C(=O)COc2cc([N-]S(=O)(=O)c3ccc4ncsc4c3)ccc21 ZINC000524946256 650648636 /nfs/dbraw/zinc/64/86/36/650648636.db2.gz ODUINFSYXLCNSP-UHFFFAOYSA-N -1 1 375.431 2.452 20 0 GEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000481983124 650657473 /nfs/dbraw/zinc/65/74/73/650657473.db2.gz QQLHBSDKFXKILL-UHFFFAOYSA-N -1 1 381.841 2.459 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)o1 ZINC000482747583 650667743 /nfs/dbraw/zinc/66/77/43/650667743.db2.gz DYEWSTVKMKFPIB-MEBBXXQBSA-N -1 1 386.857 2.347 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C)c1nc(C(C)(C)C)no1 ZINC000528336544 650688969 /nfs/dbraw/zinc/68/89/69/650688969.db2.gz JRGKHYVCDJKJOV-SSDOTTSWSA-N -1 1 381.380 2.159 20 0 GEADMM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485790774 650700232 /nfs/dbraw/zinc/70/02/32/650700232.db2.gz XCZFRAVAFFXJEZ-UWVGGRQHSA-N -1 1 392.253 2.429 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1 ZINC000485803404 650700930 /nfs/dbraw/zinc/70/09/30/650700930.db2.gz XOZSYHAWKSQYMQ-UHFFFAOYSA-N -1 1 391.373 2.212 20 0 GEADMM NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000529539774 650703849 /nfs/dbraw/zinc/70/38/49/650703849.db2.gz UBLVSTQXEPVGJD-SNVBAGLBSA-N -1 1 383.857 2.053 20 0 GEADMM CCC[C@H]1C(=O)NCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486879312 650724776 /nfs/dbraw/zinc/72/47/76/650724776.db2.gz AAVKAKJTUTXKSP-LBPRGKRZSA-N -1 1 392.253 2.444 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCCCS1(=O)=O)c1ccc(Cl)c(F)c1Cl ZINC000530544846 650726151 /nfs/dbraw/zinc/72/61/51/650726151.db2.gz HQQKVOCJEWVFCO-MRVPVSSYSA-N -1 1 390.285 2.378 20 0 GEADMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000487120536 650728675 /nfs/dbraw/zinc/72/86/75/650728675.db2.gz DVWYMKKPIURFOT-NSHDSACASA-N -1 1 376.283 2.301 20 0 GEADMM C[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1ncnn1C ZINC000487293230 650732050 /nfs/dbraw/zinc/73/20/50/650732050.db2.gz YQJIXAFOAAOXBO-MRVPVSSYSA-N -1 1 376.214 2.322 20 0 GEADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@H](C(N)=O)C1 ZINC000487447461 650733696 /nfs/dbraw/zinc/73/36/96/650733696.db2.gz OPJRWUNECQXVIZ-CABZTGNLSA-N -1 1 392.253 2.429 20 0 GEADMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000006232708 642330802 /nfs/dbraw/zinc/33/08/02/642330802.db2.gz DQNDZJYDUXKIDV-GFCCVEGCSA-N -1 1 377.894 2.172 20 0 GEADMM CCC(Nc1cc(Cl)ccc1F)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009877063 642356608 /nfs/dbraw/zinc/35/66/08/642356608.db2.gz PRVAMRQIEWFIMO-QBFSEMIESA-N -1 1 385.848 2.445 20 0 GEADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000029043854 642456726 /nfs/dbraw/zinc/45/67/26/642456726.db2.gz UVCKFECGAPRRHH-UHFFFAOYSA-N -1 1 384.479 2.170 20 0 GEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)c1 ZINC000031669555 642488557 /nfs/dbraw/zinc/48/85/57/642488557.db2.gz NJESSNVTKKCWNR-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000033161885 642502712 /nfs/dbraw/zinc/50/27/12/642502712.db2.gz RUMMSLBBACDSPK-UHFFFAOYSA-N -1 1 386.451 2.457 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)c1Cl ZINC000038110487 642516936 /nfs/dbraw/zinc/51/69/36/642516936.db2.gz GWZCJKJEOHDYHE-UHFFFAOYSA-N -1 1 382.642 2.454 20 0 GEADMM O=S(=O)([N-][C@@H]1CCN(C2CC2)C1)c1cc(Br)cnc1Cl ZINC000044726305 642581424 /nfs/dbraw/zinc/58/14/24/642581424.db2.gz OGAWYDMCSVQIDY-SECBINFHSA-N -1 1 380.695 2.013 20 0 GEADMM O=C([N-]NC(=O)c1cc(Br)c[nH]1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000046643061 642615142 /nfs/dbraw/zinc/61/51/42/642615142.db2.gz SZPLSCLTYPPDAC-UHFFFAOYSA-N -1 1 392.188 2.381 20 0 GEADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2O1 ZINC000047251070 642625056 /nfs/dbraw/zinc/62/50/56/642625056.db2.gz YLUIGHLZFJTVBG-UHFFFAOYSA-N -1 1 383.447 2.398 20 0 GEADMM CC(=O)N[N-]C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl ZINC000048089290 642643988 /nfs/dbraw/zinc/64/39/88/642643988.db2.gz QIMVOULQULDWSC-UHFFFAOYSA-N -1 1 381.841 2.230 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000048138926 642644408 /nfs/dbraw/zinc/64/44/08/642644408.db2.gz PJVYRLZWZDVOAP-UHFFFAOYSA-N -1 1 387.801 2.022 20 0 GEADMM O=C(COC(=O)c1sccc1Br)N[N-]C(=O)c1cccs1 ZINC000051595705 642700386 /nfs/dbraw/zinc/70/03/86/642700386.db2.gz BVFIRCQTFDDLAZ-UHFFFAOYSA-N -1 1 389.252 2.190 20 0 GEADMM CC(C)N(C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O)C1CCCC1 ZINC000051695208 642702845 /nfs/dbraw/zinc/70/28/45/642702845.db2.gz IQHWZBAUWHCNCQ-UHFFFAOYSA-N -1 1 388.511 2.456 20 0 GEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051695125 642702984 /nfs/dbraw/zinc/70/29/84/642702984.db2.gz AWPYRORJXSUHQV-DGCLKSJQSA-N -1 1 388.511 2.314 20 0 GEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000051695267 642703062 /nfs/dbraw/zinc/70/30/62/642703062.db2.gz NQQHAUNWJHIUSJ-UHFFFAOYSA-N -1 1 386.407 2.264 20 0 GEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1C ZINC000534617787 650778632 /nfs/dbraw/zinc/77/86/32/650778632.db2.gz DVZUUZPCLBQXQQ-UHFFFAOYSA-N -1 1 379.459 2.328 20 0 GEADMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 ZINC000055159131 642768452 /nfs/dbraw/zinc/76/84/52/642768452.db2.gz ZVMIZOBIRYDFHI-UHFFFAOYSA-N -1 1 378.435 2.468 20 0 GEADMM O=S(=O)([N-]CCCn1cccn1)c1cc(Br)cnc1Cl ZINC000055236525 642772075 /nfs/dbraw/zinc/77/20/75/642772075.db2.gz GIRFUHUGWQLPTP-UHFFFAOYSA-N -1 1 379.667 2.063 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cccc1S(N)(=O)=O ZINC000055650656 642777368 /nfs/dbraw/zinc/77/73/68/642777368.db2.gz UILNCIQQZLCOJU-UHFFFAOYSA-N -1 1 380.491 2.322 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1Cl ZINC000055650589 642777393 /nfs/dbraw/zinc/77/73/93/642777393.db2.gz XPWLBRKTGCGLDY-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000057123755 642806045 /nfs/dbraw/zinc/80/60/45/642806045.db2.gz SSTKNWRZBJWPCJ-GFCCVEGCSA-N -1 1 384.479 2.312 20 0 GEADMM CC1([N-]S(=O)(=O)c2cc(Br)sc2Br)COC1 ZINC000867630369 653965043 /nfs/dbraw/zinc/96/50/43/653965043.db2.gz JMDDDKIZWCGCQB-UHFFFAOYSA-N -1 1 391.106 2.340 20 0 GEADMM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2nc(CC(F)(F)F)no2)[n-]1 ZINC000535994427 650793336 /nfs/dbraw/zinc/79/33/36/650793336.db2.gz OMHGRLNIXZDHJZ-RUZDIDTESA-N -1 1 390.265 2.138 20 0 GEADMM COC(=O)N1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000066334313 642909814 /nfs/dbraw/zinc/90/98/14/642909814.db2.gz RVUKCRSFFVGLGJ-UHFFFAOYSA-N -1 1 383.289 2.020 20 0 GEADMM O=S(=O)(C[C@@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000066814508 642940043 /nfs/dbraw/zinc/94/00/43/642940043.db2.gz HFPYQGQXGVHMNS-HNNXBMFYSA-N -1 1 381.475 2.440 20 0 GEADMM O=S(=O)(CCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000066872969 642944070 /nfs/dbraw/zinc/94/40/70/642944070.db2.gz OSUXKCAGKVPZNG-UHFFFAOYSA-N -1 1 375.418 2.107 20 0 GEADMM O=C([N-]c1cccc(F)c1F)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000067089250 642963873 /nfs/dbraw/zinc/96/38/73/642963873.db2.gz ONTLOMKELWPYRP-UHFFFAOYSA-N -1 1 388.417 2.300 20 0 GEADMM O=S(=O)([N-]CCOCC(F)(F)F)c1cc(Br)cnc1Cl ZINC000070167601 643049149 /nfs/dbraw/zinc/04/91/49/643049149.db2.gz SFHYHABGYFBDKY-UHFFFAOYSA-N -1 1 397.600 2.355 20 0 GEADMM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000494596674 650812512 /nfs/dbraw/zinc/81/25/12/650812512.db2.gz ABTLFAQBDZQYIV-UHFFFAOYSA-N -1 1 390.245 2.121 20 0 GEADMM CC(C)CCN(C1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932607 643146806 /nfs/dbraw/zinc/14/68/06/643146806.db2.gz KGCPAFWDERPSFX-UHFFFAOYSA-N -1 1 378.491 2.396 20 0 GEADMM CCOC(=O)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000103153373 643156061 /nfs/dbraw/zinc/15/60/61/643156061.db2.gz IOJVNMHTDCLKAD-UHFFFAOYSA-N -1 1 386.214 2.349 20 0 GEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000105390701 643204822 /nfs/dbraw/zinc/20/48/22/643204822.db2.gz GXOIQSDZEQPRSV-UHFFFAOYSA-N -1 1 399.266 2.375 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)ccc1F ZINC000105589980 643210017 /nfs/dbraw/zinc/21/00/17/643210017.db2.gz LYAWBXYVXOGYDB-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)o1 ZINC000107698369 643260177 /nfs/dbraw/zinc/26/01/77/643260177.db2.gz BPURPIUGWAOETC-GFCCVEGCSA-N -1 1 384.479 2.243 20 0 GEADMM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc(-n2cnnn2)c1 ZINC000109332544 643293590 /nfs/dbraw/zinc/29/35/90/643293590.db2.gz WNIISHKTUWWQTO-UHFFFAOYSA-N -1 1 380.227 2.226 20 0 GEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000538048078 650828967 /nfs/dbraw/zinc/82/89/67/650828967.db2.gz DXARAAFUMKXPLH-UHFFFAOYSA-N -1 1 380.323 2.051 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)n1 ZINC000111588232 643342234 /nfs/dbraw/zinc/34/22/34/643342234.db2.gz SQFVXGJANQICCV-SFYZADRCSA-N -1 1 375.237 2.257 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)[n-]1 ZINC000111588232 643342236 /nfs/dbraw/zinc/34/22/36/643342236.db2.gz SQFVXGJANQICCV-SFYZADRCSA-N -1 1 375.237 2.257 20 0 GEADMM NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000497602008 650837268 /nfs/dbraw/zinc/83/72/68/650837268.db2.gz XIZTWRWCCCIQBT-SECBINFHSA-N -1 1 379.290 2.430 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cc2OC(F)F)c1 ZINC000538605491 650837427 /nfs/dbraw/zinc/83/74/27/650837427.db2.gz TUJSZPBOCYCSBJ-UHFFFAOYSA-N -1 1 376.312 2.032 20 0 GEADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000538951774 650839878 /nfs/dbraw/zinc/83/98/78/650839878.db2.gz KCJNJKXXBOMAGW-SNVBAGLBSA-N -1 1 384.841 2.407 20 0 GEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@@]1(O)CCSC1 ZINC000497910608 650841117 /nfs/dbraw/zinc/84/11/17/650841117.db2.gz LNYUUDATVOKJQO-QGZVFWFLSA-N 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ZINC000119396491 643551049 /nfs/dbraw/zinc/55/10/49/643551049.db2.gz SDNYLHRPYSBNRK-MEBBXXQBSA-N -1 1 386.857 2.347 20 0 GEADMM Cn1cc(N2CCC[C@H](NC(=O)c3ccc(Br)c([O-])c3)C2)cn1 ZINC000119547250 643556509 /nfs/dbraw/zinc/55/65/09/643556509.db2.gz CLSDKVMMXGWQJM-LBPRGKRZSA-N -1 1 379.258 2.287 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)COc2c(Cl)cccc2Cl)c1 ZINC000539705374 650848405 /nfs/dbraw/zinc/84/84/05/650848405.db2.gz DQSYUYPNIWBTOK-UHFFFAOYSA-N -1 1 391.232 2.364 20 0 GEADMM CNC(=O)c1cccc(CCC(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000121473660 643633538 /nfs/dbraw/zinc/63/35/38/643633538.db2.gz OUMWYMFMAWHECY-UHFFFAOYSA-N -1 1 378.226 2.481 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cccc1S(N)(=O)=O ZINC000540210832 650859516 /nfs/dbraw/zinc/85/95/16/650859516.db2.gz FREYLRRWSCTKCX-UHFFFAOYSA-N -1 1 384.479 2.230 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2nccs2)c2ccccc2)co1 ZINC000130864985 643853522 /nfs/dbraw/zinc/85/35/22/643853522.db2.gz DSZZQLWDSDASEG-CQSZACIVSA-N -1 1 377.447 2.164 20 0 GEADMM C[S@](=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000134728644 643905877 /nfs/dbraw/zinc/90/58/77/643905877.db2.gz HHWISRGITUJYRW-QGZVFWFLSA-N -1 1 395.127 2.413 20 0 GEADMM COCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000499272934 650878385 /nfs/dbraw/zinc/87/83/85/650878385.db2.gz KAVWFMBQSIFAQI-UHFFFAOYSA-N -1 1 387.454 2.355 20 0 GEADMM CCOc1ccccc1-n1nnnc1SCCC[N-]C(=O)C(F)(F)F ZINC000151731586 643952781 /nfs/dbraw/zinc/95/27/81/643952781.db2.gz DPUFGALEVMIQQE-UHFFFAOYSA-N -1 1 375.376 2.222 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000152470637 643969078 /nfs/dbraw/zinc/96/90/78/643969078.db2.gz XTRFEFFXIYVXFR-UHFFFAOYSA-N -1 1 391.222 2.001 20 0 GEADMM O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155590053 644075984 /nfs/dbraw/zinc/07/59/84/644075984.db2.gz NLUFQAQRTSMUHP-JTQLQIEISA-N -1 1 389.257 2.392 20 0 GEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)s1 ZINC000156591127 644105469 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CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000544708395 650951064 /nfs/dbraw/zinc/95/10/64/650951064.db2.gz VFLDVKGDUIDKNH-HOTGVXAUSA-N -1 1 389.901 2.303 20 0 GEADMM COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Br)o2)oc1C ZINC000544745519 650951739 /nfs/dbraw/zinc/95/17/39/650951739.db2.gz IEOIZUKDRYSUTE-UHFFFAOYSA-N -1 1 378.200 2.209 20 0 GEADMM CN(CCCn1ccnc1)C(=O)c1ccc(I)c([O-])c1 ZINC000544829223 650954921 /nfs/dbraw/zinc/95/49/21/650954921.db2.gz INESIVMXDPUHJG-UHFFFAOYSA-N -1 1 385.205 2.356 20 0 GEADMM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000544858933 650956429 /nfs/dbraw/zinc/95/64/29/650956429.db2.gz ANFSCQSBDMPNPM-IUCAKERBSA-N -1 1 390.221 2.030 20 0 GEADMM CO[C@@H](c1noc(C[N-]S(=O)(=O)c2cccs2)n1)c1ccc(F)cc1 ZINC000545094751 650961454 /nfs/dbraw/zinc/96/14/54/650961454.db2.gz HJBIHPDDSYJEAN-CQSZACIVSA-N -1 1 383.426 2.485 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000182927213 644975995 /nfs/dbraw/zinc/97/59/95/644975995.db2.gz 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CC(C)CCc1noc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000195157163 645358466 /nfs/dbraw/zinc/35/84/66/645358466.db2.gz CBOLWENRDRMRNM-UHFFFAOYSA-N -1 1 381.483 2.403 20 0 GEADMM O=C(NCC1(CO)CCCC1)c1ccc(I)c([O-])c1 ZINC000226230899 645389784 /nfs/dbraw/zinc/38/97/84/645389784.db2.gz KGSIPZVEKHOPLQ-UHFFFAOYSA-N -1 1 375.206 2.279 20 0 GEADMM O=C(NCC1CCC(O)CC1)c1ccc(I)c([O-])c1 ZINC000227580764 645393837 /nfs/dbraw/zinc/39/38/37/645393837.db2.gz IPXAMWJXBAYWAZ-UHFFFAOYSA-N -1 1 375.206 2.278 20 0 GEADMM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000230139161 645397283 /nfs/dbraw/zinc/39/72/83/645397283.db2.gz QVASLIBAYOCGKY-PELKAZGASA-N -1 1 379.232 2.203 20 0 GEADMM O=S(=O)([N-][C@H]1CCO[C@H]1C1CC1)c1cc(Br)cnc1Cl ZINC000230311471 645398155 /nfs/dbraw/zinc/39/81/55/645398155.db2.gz LJGPUUSLNFHAHR-ONGXEEELSA-N -1 1 381.679 2.343 20 0 GEADMM O=C(NCCOCC(F)(F)F)c1ccc(I)c([O-])c1 ZINC000230887524 645400248 /nfs/dbraw/zinc/40/02/48/645400248.db2.gz NSXIYDIINJWFOX-UHFFFAOYSA-N -1 1 389.111 2.306 20 0 GEADMM C[C@@]1(O)CCCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000231809153 645404240 /nfs/dbraw/zinc/40/42/40/645404240.db2.gz UMMMVXCBKSQXOB-CQSZACIVSA-N -1 1 375.206 2.374 20 0 GEADMM COC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000234807659 645408130 /nfs/dbraw/zinc/40/81/30/645408130.db2.gz YWJZABFJCZSUAF-ZETCQYMHSA-N -1 1 393.086 2.042 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(OC)cc1 ZINC000264229292 645671378 /nfs/dbraw/zinc/67/13/78/645671378.db2.gz YCXSWNXFVCMYIX-OAHLLOKOSA-N -1 1 384.841 2.077 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)o1 ZINC000547641894 651040648 /nfs/dbraw/zinc/04/06/48/651040648.db2.gz LQJZBKUJYMYZQI-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM COCCS(=O)(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000265596913 645778732 /nfs/dbraw/zinc/77/87/32/645778732.db2.gz CMGHHFPZEDLZQS-UHFFFAOYSA-N -1 1 384.479 2.184 20 0 GEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)c(C)c1 ZINC000265653451 645787815 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CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cccc(C)c2Br)n1 ZINC000603153348 653228325 /nfs/dbraw/zinc/22/83/25/653228325.db2.gz HIULLLRLTAJCEJ-JTQLQIEISA-N -1 1 395.257 2.472 20 0 GEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(Br)c(F)c2)n[n-]1 ZINC000603154348 653228609 /nfs/dbraw/zinc/22/86/09/653228609.db2.gz LMGNCUSGSZWCBJ-MRVPVSSYSA-N -1 1 399.220 2.303 20 0 GEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(Br)c(F)c2)[n-]1 ZINC000603154348 653228613 /nfs/dbraw/zinc/22/86/13/653228613.db2.gz LMGNCUSGSZWCBJ-MRVPVSSYSA-N -1 1 399.220 2.303 20 0 GEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(Br)c(F)c2)n1 ZINC000603154348 653228618 /nfs/dbraw/zinc/22/86/18/653228618.db2.gz LMGNCUSGSZWCBJ-MRVPVSSYSA-N -1 1 399.220 2.303 20 0 GEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2cc(Br)ccc2F)n[n-]1 ZINC000603155572 653228721 /nfs/dbraw/zinc/22/87/21/653228721.db2.gz OAITUTDURVGUOL-MRVPVSSYSA-N -1 1 399.220 2.303 20 0 GEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2cc(Br)ccc2F)[n-]1 ZINC000603155572 653228722 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GEADMM O=S(=O)([N-]CCOC(F)(F)F)c1cnc(Cl)c(Br)c1 ZINC000831228161 654172998 /nfs/dbraw/zinc/17/29/98/654172998.db2.gz FLSKNZKWCLWTEZ-UHFFFAOYSA-N -1 1 383.573 2.312 20 0 GEADMM COc1cnc([C@H]2CCCN2C(=O)c2cncc(Br)c2)[n-]c1=O ZINC000889795381 654173811 /nfs/dbraw/zinc/17/38/11/654173811.db2.gz LNQBFYUDOSSPIU-LLVKDONJSA-N -1 1 379.214 2.326 20 0 GEADMM COc1cc(F)c(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c(Cl)c1 ZINC000870447711 654175255 /nfs/dbraw/zinc/17/52/55/654175255.db2.gz VVLVNCNUBPHGPL-UHFFFAOYSA-N -1 1 378.853 2.032 20 0 GEADMM CCS(=O)(=O)C1(CNCc2ccc(C(=O)[O-])c(Br)c2)CC1 ZINC000902479452 654179409 /nfs/dbraw/zinc/17/94/09/654179409.db2.gz ODXCUNHVXQWWGC-UHFFFAOYSA-N -1 1 376.272 2.204 20 0 GEADMM COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)c([O-])c1 ZINC000889857419 654183331 /nfs/dbraw/zinc/18/33/31/654183331.db2.gz KCYHBHTYQQNYJO-NSHDSACASA-N -1 1 394.225 2.403 20 0 GEADMM CO[C@H]1C[C@H](C[N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000919709688 654189923 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CC(C)CCN1Cc2cccc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)c2C1 ZINC000903619656 654268722 /nfs/dbraw/zinc/26/87/22/654268722.db2.gz KVQZROGHQNSHPU-DEOSSOPVSA-N -1 1 388.559 2.279 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)cc(Cl)c1F ZINC000871868013 654269999 /nfs/dbraw/zinc/26/99/99/654269999.db2.gz VQIFMCZJDBEDQP-LLVKDONJSA-N -1 1 390.864 2.426 20 0 GEADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000871870084 654270515 /nfs/dbraw/zinc/27/05/15/654270515.db2.gz HQKAYVJGSAIFSL-JTQLQIEISA-N -1 1 378.853 2.330 20 0 GEADMM COc1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1OC ZINC000903643687 654271895 /nfs/dbraw/zinc/27/18/95/654271895.db2.gz YVTFHNKRXPTPNH-GWCFXTLKSA-N -1 1 383.388 2.482 20 0 GEADMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CCN1C ZINC000871889926 654273211 /nfs/dbraw/zinc/27/32/11/654273211.db2.gz OUMMNBOVXDRIIR-NXEZZACHSA-N -1 1 378.853 2.281 20 0 GEADMM CC(C)N(CCN(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000871923058 654279762 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/nfs/dbraw/zinc/77/18/49/654771849.db2.gz LWLCASINWAFSDP-QMMMGPOBSA-N -1 1 391.682 2.235 20 0 GEADMM CSCC[C@H](NC(=O)Cc1sc(SC(F)F)nc1C)c1nn[n-]n1 ZINC000912862014 654771939 /nfs/dbraw/zinc/77/19/39/654771939.db2.gz GUTYZJSIOUPCPO-ZETCQYMHSA-N -1 1 394.498 2.432 20 0 GEADMM O=C(c1cnc(-c2ccccc2Cl)s1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494894 654795697 /nfs/dbraw/zinc/79/56/97/654795697.db2.gz NCOSLBCACSLDQQ-NSHDSACASA-N -1 1 376.829 2.190 20 0 GEADMM CC[C@@H](C(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1ccc(Br)cc1 ZINC000913493167 654795724 /nfs/dbraw/zinc/79/57/24/654795724.db2.gz FXAPPEFNOUALLG-CHWSQXEVSA-N -1 1 380.246 2.056 20 0 GEADMM O=C(c1ccc(C2SCCCS2)cc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493350 654795851 /nfs/dbraw/zinc/79/58/51/654795851.db2.gz PKSRMDKVRDWSCA-CYBMUJFWSA-N -1 1 377.495 2.282 20 0 GEADMM Cc1ccc(I)cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744072 654807118 /nfs/dbraw/zinc/80/71/18/654807118.db2.gz ZDPHMEOWZKLLPH-UHFFFAOYSA-N -1 1 397.220 2.133 20 0 GEADMM O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913745472 654807504 /nfs/dbraw/zinc/80/75/04/654807504.db2.gz GNFDOQPSKNVXTE-UHFFFAOYSA-N -1 1 389.257 2.392 20 0 GEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000913746225 654807552 /nfs/dbraw/zinc/80/75/52/654807552.db2.gz XTNMOYYTCCOTFL-UHFFFAOYSA-N -1 1 386.200 2.460 20 0 GEADMM Cc1cc(OCC(=O)N2CCC(c3nn[n-]n3)CC2)ccc1Br ZINC000913745442 654807591 /nfs/dbraw/zinc/80/75/91/654807591.db2.gz FBJHMCLXJBQKKE-UHFFFAOYSA-N -1 1 380.246 2.056 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CCCn1cccn1 ZINC000913903352 654815098 /nfs/dbraw/zinc/81/50/98/654815098.db2.gz CUDPOBQTBVMMSJ-DEOSSOPVSA-N -1 1 396.416 2.155 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H]1CCC[C@@H](O)C1 ZINC000913935259 654817029 /nfs/dbraw/zinc/81/70/29/654817029.db2.gz GARWQIULDDCMCD-YCINEILWSA-N -1 1 386.417 2.171 20 0 GEADMM Cc1noc([C@@H](C)[N-]S(=O)(=O)Cc2cccc(F)c2Br)n1 ZINC000914030353 654822447 /nfs/dbraw/zinc/82/24/47/654822447.db2.gz URAOIOZVLJBUIY-SSDOTTSWSA-N -1 1 378.223 2.460 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](C)C[C@H](C)O)c1F ZINC000914172857 654832080 /nfs/dbraw/zinc/83/20/80/654832080.db2.gz VWSTTZYSBGSSFA-BDAKNGLRSA-N -1 1 384.267 2.282 20 0 GEADMM C[C@H]([N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[C@@H]1CCOC1 ZINC000914187380 654833828 /nfs/dbraw/zinc/83/38/28/654833828.db2.gz CFVHFJYCTWEWPF-XMWNIVNYSA-N -1 1 386.417 2.293 20 0 GEADMM C[C@H]([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)[C@H]1CCOC1 ZINC000914187379 654833845 /nfs/dbraw/zinc/83/38/45/654833845.db2.gz CFVHFJYCTWEWPF-LYSPQLLHSA-N -1 1 386.417 2.293 20 0 GEADMM CCC1([N-]S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CCC1 ZINC000914220875 654836027 /nfs/dbraw/zinc/83/60/27/654836027.db2.gz RGGFLWSQZAMOFS-UHFFFAOYSA-N -1 1 389.275 2.111 20 0 GEADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(F)c(OC)c(F)c2)o1 ZINC000914229738 654837078 /nfs/dbraw/zinc/83/70/78/654837078.db2.gz IZOUJWVOBFSUHV-UHFFFAOYSA-N -1 1 375.349 2.222 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914244121 654838353 /nfs/dbraw/zinc/83/83/53/654838353.db2.gz AYGBOSFHPPLSGV-KOLCDFICSA-N -1 1 380.388 2.052 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C)C2)c1F ZINC000914318704 654844865 /nfs/dbraw/zinc/84/48/65/654844865.db2.gz WRCRVLFOWDVEKM-BDAKNGLRSA-N -1 1 382.251 2.443 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(=O)C(C)(C)C)c1F ZINC000914377109 654849424 /nfs/dbraw/zinc/84/94/24/654849424.db2.gz PRRRRRYDOPZMQJ-UHFFFAOYSA-N -1 1 382.251 2.490 20 0 GEADMM COC(=O)c1sccc1[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000914777712 654857201 /nfs/dbraw/zinc/85/72/01/654857201.db2.gz SJCDERFSMCUIRK-UHFFFAOYSA-N -1 1 384.435 2.165 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2nnc(C)[nH]2)c1F ZINC000915614884 654875099 /nfs/dbraw/zinc/87/50/99/654875099.db2.gz LULDLQAHDVASEZ-ZCFIWIBFSA-N -1 1 393.238 2.063 20 0 GEADMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)Nc1cccc(F)c1 ZINC000915877447 654881492 /nfs/dbraw/zinc/88/14/92/654881492.db2.gz XAKDRWMMOWFXCW-SECBINFHSA-N -1 1 386.426 2.443 20 0 GEADMM O=C(c1nc(Br)c2ccccn21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000935795482 654917430 /nfs/dbraw/zinc/91/74/30/654917430.db2.gz YVOQKWUVUYJAKV-VIFPVBQESA-N -1 1 392.213 2.205 20 0 GEADMM COC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015789739 531568034 /nfs/dbraw/zinc/56/80/34/531568034.db2.gz PNNARQOIAMLWCE-UHFFFAOYSA-N -1 1 382.825 2.044 20 0 GEADMM CCc1nc(S(=O)(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000153110976 531590686 /nfs/dbraw/zinc/59/06/86/531590686.db2.gz FQVMXJUTXADTEN-UHFFFAOYSA-N -1 1 376.360 2.188 20 0 GEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000153137825 531590539 /nfs/dbraw/zinc/59/05/39/531590539.db2.gz VOEABUFVOCEJCO-MRVPVSSYSA-N -1 1 391.280 2.325 20 0 GEADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000024350616 531601766 /nfs/dbraw/zinc/60/17/66/531601766.db2.gz OUQMAGZJEMHEAG-UHFFFAOYSA-N -1 1 380.491 2.226 20 0 GEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c1 ZINC000024261985 531602863 /nfs/dbraw/zinc/60/28/63/531602863.db2.gz WASMFVXISQTHJV-UHFFFAOYSA-N -1 1 378.431 2.318 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CNC3=O)cc2)c(C)s1 ZINC000028254298 531631880 /nfs/dbraw/zinc/63/18/80/531631880.db2.gz ASTMMIJYQSOFIX-UHFFFAOYSA-N -1 1 379.463 2.218 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1Cl ZINC000042623318 531669317 /nfs/dbraw/zinc/66/93/17/531669317.db2.gz GAAIEERGDGTAOP-UHFFFAOYSA-N -1 1 380.809 2.375 20 0 GEADMM Cc1cc(Br)cc2cc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)oc21 ZINC000155046647 531652231 /nfs/dbraw/zinc/65/22/31/531652231.db2.gz LYPQWCNXTBLHBH-UHFFFAOYSA-N -1 1 399.226 2.278 20 0 GEADMM Cc1cc(Br)cc2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)oc21 ZINC000155046647 531652240 /nfs/dbraw/zinc/65/22/40/531652240.db2.gz LYPQWCNXTBLHBH-UHFFFAOYSA-N -1 1 399.226 2.278 20 0 GEADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC)c2)cc1C ZINC000032595959 531653038 /nfs/dbraw/zinc/65/30/38/531653038.db2.gz VHOMSHOUOWTGNR-UHFFFAOYSA-N -1 1 384.479 2.103 20 0 GEADMM O=C(CCc1cc(Br)ccc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155646668 531694149 /nfs/dbraw/zinc/69/41/49/531694149.db2.gz HLYHKCQJFLQGJB-LLVKDONJSA-N -1 1 382.237 2.440 20 0 GEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000155656610 531694639 /nfs/dbraw/zinc/69/46/39/531694639.db2.gz WJLZRZVLOYCXPT-UHFFFAOYSA-N -1 1 393.163 2.242 20 0 GEADMM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000048440470 531732310 /nfs/dbraw/zinc/73/23/10/531732310.db2.gz CKOJECIUYAGDPC-YFKPBYRVSA-N -1 1 390.086 2.169 20 0 GEADMM Cc1cc(CN2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)no1 ZINC000052852634 531751382 /nfs/dbraw/zinc/75/13/82/531751382.db2.gz MBVYHFAVJPSZSA-UHFFFAOYSA-N -1 1 380.242 2.409 20 0 GEADMM O=C1C[C@@H](Cc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)C(=O)N1 ZINC000158287137 531774050 /nfs/dbraw/zinc/77/40/50/531774050.db2.gz LKQSXSFDOJAQNX-GFCCVEGCSA-N -1 1 378.837 2.346 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C ZINC000055546089 531791785 /nfs/dbraw/zinc/79/17/85/531791785.db2.gz GRGIBWRUBPVARJ-UHFFFAOYSA-N -1 1 384.479 2.230 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)cc1F ZINC000055579589 531793129 /nfs/dbraw/zinc/79/31/29/531793129.db2.gz RWTIKYDWLPZZKI-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000055567594 531793970 /nfs/dbraw/zinc/79/39/70/531793970.db2.gz XVGIHHJDXPHVGB-UHFFFAOYSA-N -1 1 384.479 2.021 20 0 GEADMM O=C(CNC(=O)c1ccc(Br)cc1[O-])NCCc1ccccc1 ZINC000057557522 531820881 /nfs/dbraw/zinc/82/08/81/531820881.db2.gz ULDMLGUORCCUOH-UHFFFAOYSA-N -1 1 377.238 2.243 20 0 GEADMM CCCOc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000064475808 531867106 /nfs/dbraw/zinc/86/71/06/531867106.db2.gz NOCWVRNQDBQIFI-UHFFFAOYSA-N -1 1 384.479 2.184 20 0 GEADMM O=C1CSC(=O)N1CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000064946602 531872751 /nfs/dbraw/zinc/87/27/51/531872751.db2.gz ZYKYVDGCPZSEAP-UHFFFAOYSA-N -1 1 375.280 2.029 20 0 GEADMM O=S(=O)([N-]C[C@H](c1cccs1)N1CCOCC1)c1cccc(F)c1F ZINC000170655982 531886844 /nfs/dbraw/zinc/88/68/44/531886844.db2.gz ISPRGEUQPNMKCC-CYBMUJFWSA-N -1 1 388.461 2.378 20 0 GEADMM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1ccc(Cl)nc1Cl ZINC000170660122 531888417 /nfs/dbraw/zinc/88/84/17/531888417.db2.gz JFTIDLXSLFGBAH-UHFFFAOYSA-N -1 1 384.248 2.448 20 0 GEADMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000171421124 531905755 /nfs/dbraw/zinc/90/57/55/531905755.db2.gz FQSJHRGKRGRYPE-QMMMGPOBSA-N -1 1 397.241 2.017 20 0 GEADMM O=C(CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)NC1CC1 ZINC000171419430 531906940 /nfs/dbraw/zinc/90/69/40/531906940.db2.gz HGWJVQPRBSDAFC-UHFFFAOYSA-N -1 1 397.241 2.064 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCN1CC(F)(F)F ZINC000112092449 531944914 /nfs/dbraw/zinc/94/49/14/531944914.db2.gz NUUORZYPWDQRMM-SECBINFHSA-N -1 1 391.198 2.435 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)cc(C)c1F ZINC000172895068 531972538 /nfs/dbraw/zinc/97/25/38/531972538.db2.gz XIYQDOVOZSPOAL-UHFFFAOYSA-N -1 1 386.470 2.293 20 0 GEADMM CC(C)(C)N1C[C@@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1=O ZINC000174552696 532069407 /nfs/dbraw/zinc/06/94/07/532069407.db2.gz JGURRFDJSKUDTC-JTQLQIEISA-N -1 1 379.511 2.185 20 0 GEADMM O=S(=O)(CCCF)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000175555092 532108086 /nfs/dbraw/zinc/10/80/86/532108086.db2.gz CZIRGONFLNFXSD-UHFFFAOYSA-N -1 1 386.470 2.266 20 0 GEADMM Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1nnn[n-]1 ZINC000175343455 532100760 /nfs/dbraw/zinc/10/07/60/532100760.db2.gz VJBYYYUUTDDMAS-UHFFFAOYSA-N -1 1 376.218 2.076 20 0 GEADMM Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1nn[n-]n1 ZINC000175343455 532100762 /nfs/dbraw/zinc/10/07/62/532100762.db2.gz VJBYYYUUTDDMAS-UHFFFAOYSA-N -1 1 376.218 2.076 20 0 GEADMM Cc1ccc(OCCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(Br)c1 ZINC000124208575 532117022 /nfs/dbraw/zinc/11/70/22/532117022.db2.gz NYYLUOCOPJTIMD-LLVKDONJSA-N -1 1 382.262 2.302 20 0 GEADMM Cc1c(Br)cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000124425602 532120710 /nfs/dbraw/zinc/12/07/10/532120710.db2.gz YIYSIMVKGXVOQV-ZETCQYMHSA-N -1 1 383.206 2.055 20 0 GEADMM Cc1c(Br)cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000124425399 532120953 /nfs/dbraw/zinc/12/09/53/532120953.db2.gz YIYSIMVKGXVOQV-SSDOTTSWSA-N -1 1 383.206 2.055 20 0 GEADMM C[C@H](CN(C)C(=O)c1[nH]nc(-c2ccccc2)c1Br)c1nn[n-]n1 ZINC000124394734 532121128 /nfs/dbraw/zinc/12/11/28/532121128.db2.gz VMOCDOAPGWGRQG-SECBINFHSA-N -1 1 390.245 2.228 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000125545535 532138434 /nfs/dbraw/zinc/13/84/34/532138434.db2.gz OVGQJLRDXKRXLF-UHFFFAOYSA-N -1 1 377.447 2.077 20 0 GEADMM O=C(CSCc1ccc(Cl)cc1Cl)NCCCc1nc(=O)[n-][nH]1 ZINC000176761564 532148326 /nfs/dbraw/zinc/14/83/26/532148326.db2.gz AVUQJEJFIJXZEH-UHFFFAOYSA-N -1 1 375.281 2.387 20 0 GEADMM C[C@H](Sc1ccc(Br)cc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176760893 532148712 /nfs/dbraw/zinc/14/87/12/532148712.db2.gz ZNEWQWPQBMTPRO-VIFPVBQESA-N -1 1 385.287 2.090 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)c1nn[n-]n1 ZINC000176751889 532148776 /nfs/dbraw/zinc/14/87/76/532148776.db2.gz SWHFCIDYUUEBGY-SECBINFHSA-N -1 1 384.234 2.251 20 0 GEADMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000126515748 532149731 /nfs/dbraw/zinc/14/97/31/532149731.db2.gz NWUSVZAUNOCHFT-VIFPVBQESA-N -1 1 399.822 2.441 20 0 GEADMM C[C@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])N1CCN(C)CC1 ZINC000177168096 532163605 /nfs/dbraw/zinc/16/36/05/532163605.db2.gz HSYNNBPCFRDIPU-SNVBAGLBSA-N -1 1 390.709 2.174 20 0 GEADMM CNC(=O)c1cccc(CCNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000129888270 532186167 /nfs/dbraw/zinc/18/61/67/532186167.db2.gz VDTCHFIHXXNYTR-UHFFFAOYSA-N -1 1 377.238 2.487 20 0 GEADMM COC(=O)c1cc(Br)cc([N-]S(=O)(=O)c2cn[nH]c2)c1Cl ZINC000178590602 532206331 /nfs/dbraw/zinc/20/63/31/532206331.db2.gz YKXPKNMPDMYVSV-UHFFFAOYSA-N -1 1 394.634 2.413 20 0 GEADMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000178737187 532210721 /nfs/dbraw/zinc/21/07/21/532210721.db2.gz QWEBOBJCOLLURM-GFCCVEGCSA-N -1 1 375.796 2.425 20 0 GEADMM O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)c([O-])c1 ZINC000133269432 532230601 /nfs/dbraw/zinc/23/06/01/532230601.db2.gz AWQMHZCZGHKHPP-GFCCVEGCSA-N -1 1 384.201 2.464 20 0 GEADMM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000133306587 532231724 /nfs/dbraw/zinc/23/17/24/532231724.db2.gz YBEVSMWEAXPLFC-LLVKDONJSA-N -1 1 376.400 2.173 20 0 GEADMM O=C(CCc1cc(F)ccc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000133388871 532233561 /nfs/dbraw/zinc/23/35/61/532233561.db2.gz TWQUXGKZFOUWJE-NSHDSACASA-N -1 1 382.237 2.440 20 0 GEADMM O=C(N1CCC[C@@H](c2nn[n-]n2)C1)C1(c2cccc(Br)c2)CC1 ZINC000132699389 532220097 /nfs/dbraw/zinc/22/00/97/532220097.db2.gz QXPDXMIZJXFRIU-LLVKDONJSA-N -1 1 376.258 2.400 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)C[C@@H]2CCOC2)c2ccc(Cl)c(F)c2)no1 ZINC000132757400 532220408 /nfs/dbraw/zinc/22/04/08/532220408.db2.gz GNLJJWTXHLUQQX-QMTHXVAHSA-N -1 1 389.836 2.216 20 0 GEADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)cc1 ZINC000179846279 532247232 /nfs/dbraw/zinc/24/72/32/532247232.db2.gz NUUWQLHLMVHUKW-UHFFFAOYSA-N -1 1 386.470 2.472 20 0 GEADMM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000179918645 532251029 /nfs/dbraw/zinc/25/10/29/532251029.db2.gz CUSZFZMVIISERP-JTQLQIEISA-N -1 1 395.175 2.438 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)ccc1F ZINC000135323375 532271399 /nfs/dbraw/zinc/27/13/99/532271399.db2.gz GOKYXKCYLJZAGO-DEOSSOPVSA-N -1 1 384.454 2.463 20 0 GEADMM O=S(=O)([N-]c1ncc(F)cc1I)c1cccnc1 ZINC000180269885 532264332 /nfs/dbraw/zinc/26/43/32/532264332.db2.gz LDNALLDEASOCFT-UHFFFAOYSA-N -1 1 379.154 2.021 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2Br)c1 ZINC000135237422 532268823 /nfs/dbraw/zinc/26/88/23/532268823.db2.gz QOZVEOLCMGYUHL-UHFFFAOYSA-N -1 1 391.268 2.048 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(I)cc2)c1C ZINC000135400192 532272972 /nfs/dbraw/zinc/27/29/72/532272972.db2.gz KTSBMUVJELVPHX-UHFFFAOYSA-N -1 1 377.207 2.432 20 0 GEADMM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000181398733 532297671 /nfs/dbraw/zinc/29/76/71/532297671.db2.gz JLQJMXJEPSZGFN-QUBYGPBYSA-N -1 1 390.271 2.118 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCC(c2ccnn2CCO)CC1 ZINC000181930712 532307317 /nfs/dbraw/zinc/30/73/17/532307317.db2.gz XCFYHFQCNSWLPX-UHFFFAOYSA-N -1 1 394.269 2.363 20 0 GEADMM CC[C@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000182805327 532317740 /nfs/dbraw/zinc/31/77/40/532317740.db2.gz AQSWFAGMALGBOO-LBPRGKRZSA-N -1 1 380.495 2.053 20 0 GEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000186496367 532341009 /nfs/dbraw/zinc/34/10/09/532341009.db2.gz OLUIYQXEMWJSHE-UHFFFAOYSA-N -1 1 381.307 2.172 20 0 GEADMM Cc1nccc(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n1 ZINC000184945820 532336078 /nfs/dbraw/zinc/33/60/78/532336078.db2.gz 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CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000517257625 532411346 /nfs/dbraw/zinc/41/13/46/532411346.db2.gz XKNKYEHCSVJAGE-UHFFFAOYSA-N -1 1 384.479 2.184 20 0 GEADMM C[C@@H](CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)n1cc(Br)cn1 ZINC000649219578 532418216 /nfs/dbraw/zinc/41/82/16/532418216.db2.gz KDBWXLPCINACCY-VIFPVBQESA-N -1 1 384.234 2.092 20 0 GEADMM O=c1ccccn1CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000466845094 532435319 /nfs/dbraw/zinc/43/53/19/532435319.db2.gz ZRXXLGNULAFOEH-UHFFFAOYSA-N -1 1 397.703 2.304 20 0 GEADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000592037723 532435148 /nfs/dbraw/zinc/43/51/48/532435148.db2.gz MFWBGADSTKFTIU-YCINEILWSA-N -1 1 384.445 2.459 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(C)=C(Br)C1 ZINC000281858373 532439589 /nfs/dbraw/zinc/43/95/89/532439589.db2.gz QPXUEOUTDPCMBT-UHFFFAOYSA-N -1 1 379.258 2.083 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000518614784 532443493 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CC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(F)(F)F ZINC000562378871 532464021 /nfs/dbraw/zinc/46/40/21/532464021.db2.gz AEIAIHFZAZWBCY-CYBMUJFWSA-N -1 1 382.360 2.035 20 0 GEADMM O=C(CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1)N1CCCCCC1 ZINC000195113498 532469229 /nfs/dbraw/zinc/46/92/29/532469229.db2.gz NQLLEEJGSVSFHC-UHFFFAOYSA-N -1 1 382.873 2.301 20 0 GEADMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1)N1CCCCCC1 ZINC000195113498 532469236 /nfs/dbraw/zinc/46/92/36/532469236.db2.gz NQLLEEJGSVSFHC-UHFFFAOYSA-N -1 1 382.873 2.301 20 0 GEADMM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(C)(C)CO ZINC000295727999 532472745 /nfs/dbraw/zinc/47/27/45/532472745.db2.gz MJWCHVSZGHIURO-LLVKDONJSA-N -1 1 393.296 2.160 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)CC2(OC)CCOCC2)cc(Cl)c1F ZINC000593210083 532476568 /nfs/dbraw/zinc/47/65/68/532476568.db2.gz FJBVSEDCUYRIBV-UHFFFAOYSA-N -1 1 395.836 2.203 20 0 GEADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C2 ZINC000373922415 532478376 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CS(=O)(=O)CC1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000295763475 532474640 /nfs/dbraw/zinc/47/46/40/532474640.db2.gz IWQDZYGFTGSHIQ-UHFFFAOYSA-N -1 1 390.299 2.488 20 0 GEADMM CCN(Cc1cnn(C)c1)C(=O)c1cc(I)ccc1[O-] ZINC000195323579 532475444 /nfs/dbraw/zinc/47/54/44/532475444.db2.gz IRHAPWPOMQKZHN-UHFFFAOYSA-N -1 1 385.205 2.393 20 0 GEADMM O=C(CCc1cc(F)ccc1Br)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282898043 532504713 /nfs/dbraw/zinc/50/47/13/532504713.db2.gz LIFCRORVYXBYSA-NSHDSACASA-N -1 1 397.248 2.338 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282919702 532506060 /nfs/dbraw/zinc/50/60/60/532506060.db2.gz NSRINDNMUCKTLJ-MNOVXSKESA-N -1 1 395.257 2.034 20 0 GEADMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594456776 532506590 /nfs/dbraw/zinc/50/65/90/532506590.db2.gz RJXUHNGAFRPJAC-JTQLQIEISA-N -1 1 381.853 2.343 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1F ZINC000594462690 532508126 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CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1F ZINC000471123392 532543535 /nfs/dbraw/zinc/54/35/35/532543535.db2.gz FSZJNQSEVRGTPO-UHFFFAOYSA-N -1 1 385.438 2.355 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000471127318 532543782 /nfs/dbraw/zinc/54/37/82/532543782.db2.gz LNXRGMCQIAHVEC-UHFFFAOYSA-N -1 1 382.419 2.128 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c(F)c1 ZINC000526997995 532544545 /nfs/dbraw/zinc/54/45/45/532544545.db2.gz AGLOTCCQXKUOAY-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM NS(=O)(=O)c1ccc(OCCSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000521906284 532519875 /nfs/dbraw/zinc/51/98/75/532519875.db2.gz ALXZSLFGPFTLQH-UHFFFAOYSA-N -1 1 395.384 2.020 20 0 GEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)F)C(F)(F)F ZINC000594699177 532520921 /nfs/dbraw/zinc/52/09/21/532520921.db2.gz IFKISTJJBIFRBZ-SNVBAGLBSA-N -1 1 391.314 2.450 20 0 GEADMM COC[C@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCO1 ZINC000564484536 532525223 /nfs/dbraw/zinc/52/52/23/532525223.db2.gz PBXALTFEJXBJBJ-SNVBAGLBSA-N -1 1 381.226 2.190 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C(N)=O ZINC000523887585 532526064 /nfs/dbraw/zinc/52/60/64/532526064.db2.gz UFKJVFVFNBWPBU-DEOSSOPVSA-N -1 1 380.491 2.082 20 0 GEADMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ncccc1Br ZINC000594776286 532526644 /nfs/dbraw/zinc/52/66/44/532526644.db2.gz YJZHHHDEXMSMFB-UHFFFAOYSA-N -1 1 379.276 2.244 20 0 GEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1 ZINC000470445251 532528250 /nfs/dbraw/zinc/52/82/50/532528250.db2.gz KAXZJPGAKTZGSQ-UHFFFAOYSA-N -1 1 387.454 2.380 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCC2CC(OC)C2)c1F ZINC000594789532 532528480 /nfs/dbraw/zinc/52/84/80/532528480.db2.gz MTZQOJKQQVVPSS-UHFFFAOYSA-N -1 1 379.837 2.359 20 0 GEADMM FC(F)(F)c1nnc([N-]Cc2ncc(I)s2)o1 ZINC000564574362 532528904 /nfs/dbraw/zinc/52/89/04/532528904.db2.gz KGXQQTCFILEGFO-UHFFFAOYSA-N -1 1 376.101 2.762 20 0 GEADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432191127 532528961 /nfs/dbraw/zinc/52/89/61/532528961.db2.gz HWYBQDLCPOZPQN-DEOSSOPVSA-N -1 1 376.459 2.207 20 0 GEADMM CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2c([O-])cc(Br)cc2Cl)O1 ZINC000564572595 532529081 /nfs/dbraw/zinc/52/90/81/532529081.db2.gz NSGPEFWIEPGCOR-WDEREUQCSA-N -1 1 391.649 2.382 20 0 GEADMM CCCCN(CCCC)S(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594842438 532533360 /nfs/dbraw/zinc/53/33/60/532533360.db2.gz NCIKUIZRNKGYQB-KRWDZBQOSA-N -1 1 378.535 2.224 20 0 GEADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1Cl ZINC000432948837 532550289 /nfs/dbraw/zinc/55/02/89/532550289.db2.gz MMQUDPNAALXKFZ-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM O=C([O-])C1(CNC(=O)c2n[nH]c3ccc(I)cc32)CCC1 ZINC000595277542 532551675 /nfs/dbraw/zinc/55/16/75/532551675.db2.gz NOXQLELLNUWQDI-UHFFFAOYSA-N -1 1 399.188 2.152 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)cc1C ZINC000595332349 532555991 /nfs/dbraw/zinc/55/59/91/532555991.db2.gz FNWGDAHKSMTJEF-GFCCVEGCSA-N -1 1 387.841 2.082 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)cc1C ZINC000595327884 532556671 /nfs/dbraw/zinc/55/66/71/532556671.db2.gz DNHRHEOXSDRFNL-UHFFFAOYSA-N -1 1 385.825 2.441 20 0 GEADMM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(C)C ZINC000595333763 532556922 /nfs/dbraw/zinc/55/69/22/532556922.db2.gz TXSQPSRHJFJGCE-INIZCTEOSA-N -1 1 375.443 2.021 20 0 GEADMM O=C(CCc1nn[n-]n1)NCc1ccc(Br)cc1C(F)(F)F ZINC000632212418 532590465 /nfs/dbraw/zinc/59/04/65/532590465.db2.gz QHFFBZRUWKKCSP-UHFFFAOYSA-N -1 1 378.152 2.230 20 0 GEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000632256589 532595920 /nfs/dbraw/zinc/59/59/20/532595920.db2.gz VSINLQWCPPCRLN-QMTHXVAHSA-N -1 1 383.388 2.163 20 0 GEADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)co1 ZINC000255356754 532573997 /nfs/dbraw/zinc/57/39/97/532573997.db2.gz JYOSFMMSVWYZIC-PLNGDYQASA-N -1 1 380.407 2.055 20 0 GEADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000433616717 532574618 /nfs/dbraw/zinc/57/46/18/532574618.db2.gz NAFYDKGCUYDTMX-UHFFFAOYSA-N -1 1 386.426 2.201 20 0 GEADMM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000632110745 532579720 /nfs/dbraw/zinc/57/97/20/532579720.db2.gz XGNYQFILLXSQLX-SECBINFHSA-N -1 1 395.229 2.266 20 0 GEADMM COC(=O)c1sc2[nH]c(CSc3ncc(C)c(=O)[n-]3)nc(=O)c2c1C ZINC000566497616 532614398 /nfs/dbraw/zinc/61/43/98/532614398.db2.gz DTYIOAKITJDOBF-UHFFFAOYSA-N -1 1 378.435 2.176 20 0 GEADMM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000632497357 532615358 /nfs/dbraw/zinc/61/53/58/532615358.db2.gz FGKWJTMWJIGKET-ZETCQYMHSA-N -1 1 397.245 2.370 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Cl)ccc1F ZINC000284743868 532615907 /nfs/dbraw/zinc/61/59/07/532615907.db2.gz TYQSQHKMWCQSOD-IAQYHMDHSA-N -1 1 377.865 2.325 20 0 GEADMM Cc1nn(C)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c1C(F)F ZINC000655662267 532599406 /nfs/dbraw/zinc/59/94/06/532599406.db2.gz PKSLLVYUWSCHIQ-DTWKUNHWSA-N -1 1 391.362 2.444 20 0 GEADMM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc2nsnc21 ZINC000655663655 532600219 /nfs/dbraw/zinc/60/02/19/532600219.db2.gz IYMHORLCALRGJQ-GZMMTYOYSA-N -1 1 381.401 2.470 20 0 GEADMM O=C(N1CCCC1)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000632330594 532602189 /nfs/dbraw/zinc/60/21/89/532602189.db2.gz SYNIZKNRZKIHPX-LLVKDONJSA-N -1 1 377.413 2.176 20 0 GEADMM C[C@@]1(C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)OCCc2sccc21 ZINC000632345077 532603201 /nfs/dbraw/zinc/60/32/01/532603201.db2.gz AEIWYOOYQRSHQQ-LBPRGKRZSA-N -1 1 381.401 2.256 20 0 GEADMM COc1ccc(NC(=O)N(C)Cc2csc(C)n2)cc1[N-]S(C)(=O)=O ZINC000474019983 532605477 /nfs/dbraw/zinc/60/54/77/532605477.db2.gz QLCMFARNACSOCK-UHFFFAOYSA-N -1 1 384.483 2.496 20 0 GEADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(Br)c2ncccc12 ZINC000656742072 532632116 /nfs/dbraw/zinc/63/21/16/532632116.db2.gz WSBZPEKVWFNZBW-SECBINFHSA-N -1 1 386.271 2.216 20 0 GEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)cc1 ZINC000376892794 532634169 /nfs/dbraw/zinc/63/41/69/532634169.db2.gz MBMHNECELVFMKA-UHFFFAOYSA-N -1 1 380.491 2.372 20 0 GEADMM O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1[O-] ZINC000436500998 532634450 /nfs/dbraw/zinc/63/44/50/532634450.db2.gz AYIXUHDYKLUMCW-UHFFFAOYSA-N -1 1 395.289 2.469 20 0 GEADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)c(C)n(C)c2=O)c1 ZINC000436502296 532635167 /nfs/dbraw/zinc/63/51/67/532635167.db2.gz BZTXKQLQCCSRAR-UHFFFAOYSA-N -1 1 395.209 2.201 20 0 GEADMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436557993 532637976 /nfs/dbraw/zinc/63/79/76/532637976.db2.gz ZFYUOCOJPVFYKG-RYUDHWBXSA-N -1 1 399.285 2.158 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@H](O)C(F)(F)F ZINC000632672300 532638072 /nfs/dbraw/zinc/63/80/72/532638072.db2.gz AHNGSUIUJHNSGI-ANLVUFKYSA-N -1 1 380.157 2.178 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1 ZINC000567072864 532638481 /nfs/dbraw/zinc/63/84/81/532638481.db2.gz CUXAQBKGWVIWGY-AWEZNQCLSA-N -1 1 381.475 2.395 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)cc1C(N)=O ZINC000598379581 532646561 /nfs/dbraw/zinc/64/65/61/532646561.db2.gz SUANVGLFRHRBTG-UHFFFAOYSA-N -1 1 383.857 2.314 20 0 GEADMM CCOc1cc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc(Br)c1O ZINC000436716828 532642579 /nfs/dbraw/zinc/64/25/79/532642579.db2.gz RGMTYOFIODGVHL-ONEGZZNKSA-N -1 1 377.198 2.455 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000285050026 532642638 /nfs/dbraw/zinc/64/26/38/532642638.db2.gz HNYZTVGTJFAYKY-UHFFFAOYSA-N -1 1 378.328 2.111 20 0 GEADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000532009171 532643556 /nfs/dbraw/zinc/64/35/56/532643556.db2.gz VPAQEQXYEBQWCI-LLVKDONJSA-N -1 1 377.253 2.495 20 0 GEADMM Cc1ncc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)cn1 ZINC000264097666 532660890 /nfs/dbraw/zinc/66/08/90/532660890.db2.gz KGHWSPPTPKWTOW-UHFFFAOYSA-N -1 1 385.829 2.483 20 0 GEADMM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1=O ZINC000567771804 532661848 /nfs/dbraw/zinc/66/18/48/532661848.db2.gz SFOFWHITGAGHSQ-LLVKDONJSA-N -1 1 393.278 2.266 20 0 GEADMM O=C(CCSc1ccccc1Br)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377595492 532663286 /nfs/dbraw/zinc/66/32/86/532663286.db2.gz OMFDUCFDSULIMQ-LLVKDONJSA-N -1 1 398.286 2.045 20 0 GEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3NS(C)(=O)=O)ccc2O1 ZINC000264270036 532668232 /nfs/dbraw/zinc/66/82/32/532668232.db2.gz AVCVVELJZAZVQB-NSHDSACASA-N -1 1 382.463 2.182 20 0 GEADMM CN1c2ccc(Br)cc2N(C(=O)CCc2nn[n-]n2)CC1(C)C ZINC000632815068 532646864 /nfs/dbraw/zinc/64/68/64/532646864.db2.gz PYJQLEMREZDXEM-UHFFFAOYSA-N -1 1 379.262 2.156 20 0 GEADMM Cc1ccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1F ZINC000477129006 532647476 /nfs/dbraw/zinc/64/74/76/532647476.db2.gz XNLRIXRNYOGPLP-UHFFFAOYSA-N -1 1 390.433 2.123 20 0 GEADMM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ncccc1Br ZINC000656924039 532647573 /nfs/dbraw/zinc/64/75/73/532647573.db2.gz 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0 GEADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000535346771 532680286 /nfs/dbraw/zinc/68/02/86/532680286.db2.gz VUJCCJRKNXMYDP-UHFFFAOYSA-N -1 1 389.838 2.273 20 0 GEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000298881670 532681504 /nfs/dbraw/zinc/68/15/04/532681504.db2.gz ZLCFETBOUIXKQM-UHFFFAOYSA-N -1 1 376.862 2.031 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)c1nccs1 ZINC000484783321 532682714 /nfs/dbraw/zinc/68/27/14/532682714.db2.gz IWCABOVXRUQGAD-QMMMGPOBSA-N -1 1 376.481 2.429 20 0 GEADMM COC(=O)[C@]1([N-]S(=O)(=O)Cc2cc(OC)ns2)CCCC(C)(C)C1 ZINC000603391626 532693154 /nfs/dbraw/zinc/69/31/54/532693154.db2.gz FSJJFCTZCBTNSG-HNNXBMFYSA-N -1 1 376.500 2.083 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1NC(N)=O ZINC000487366484 532696557 /nfs/dbraw/zinc/69/65/57/532696557.db2.gz NWUKRXKBCSFGPB-UHFFFAOYSA-N -1 1 375.328 2.404 20 0 GEADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000381401142 532701913 /nfs/dbraw/zinc/70/19/13/532701913.db2.gz ONSAVPXVWMKDAJ-YMTOWFKASA-N -1 1 375.206 2.278 20 0 GEADMM CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000569658877 532702232 /nfs/dbraw/zinc/70/22/32/532702232.db2.gz XDVTWYRFKDNESW-CYBMUJFWSA-N -1 1 385.917 2.376 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)cc(C)c1F ZINC000266073678 532702458 /nfs/dbraw/zinc/70/24/58/532702458.db2.gz YSWMJEBHBPTJRG-UHFFFAOYSA-N -1 1 387.454 2.009 20 0 GEADMM CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000265204761 532688283 /nfs/dbraw/zinc/68/82/83/532688283.db2.gz QMSHLBPVAXAQIZ-ZJUUUORDSA-N -1 1 395.344 2.436 20 0 GEADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000387218716 532704385 /nfs/dbraw/zinc/70/43/85/532704385.db2.gz FWONPANOLWTKFH-LLVKDONJSA-N -1 1 398.204 2.103 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(NS(N)(=O)=O)c3)cc2s1 ZINC000489506705 532706718 /nfs/dbraw/zinc/70/67/18/532706718.db2.gz BUDWCPPWXNRWOH-UHFFFAOYSA-N -1 1 398.491 2.021 20 0 GEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(OCCS(C)(=O)=O)c1 ZINC000299544739 532726565 /nfs/dbraw/zinc/72/65/65/532726565.db2.gz BOHPYZPZFYFNRX-UHFFFAOYSA-N -1 1 387.454 2.358 20 0 GEADMM Cc1[nH]ncc1CNC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000266978408 532731445 /nfs/dbraw/zinc/73/14/45/532731445.db2.gz DXRGFJZIWLGALY-UHFFFAOYSA-N -1 1 376.360 2.218 20 0 GEADMM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc(F)cc1F ZINC000443231794 532743040 /nfs/dbraw/zinc/74/30/40/532743040.db2.gz QRVSFAMOAVFRAR-DZGCQCFKSA-N -1 1 377.359 2.480 20 0 GEADMM Cc1cncc([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1 ZINC000267513507 532743261 /nfs/dbraw/zinc/74/32/61/532743261.db2.gz KQVBVGRZKFWOMH-UHFFFAOYSA-N -1 1 383.495 2.488 20 0 GEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc3ccccc3s2)[C@@H]1n1cccn1 ZINC000579706275 532743528 /nfs/dbraw/zinc/74/35/28/532743528.db2.gz XBKPYRSNHFTLDA-NFAWXSAZSA-N -1 1 378.479 2.190 20 0 GEADMM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC(C)(C)N1CCCCC1 ZINC000451038918 532761042 /nfs/dbraw/zinc/76/10/42/532761042.db2.gz WECPTGLMFHDIIC-LBPRGKRZSA-N -1 1 388.452 2.054 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccccc2F)c(Br)n1C ZINC000286678924 532761330 /nfs/dbraw/zinc/76/13/30/532761330.db2.gz YOLVFMZGRMMBJC-UHFFFAOYSA-N -1 1 376.251 2.151 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000267840845 532751549 /nfs/dbraw/zinc/75/15/49/532751549.db2.gz NPSRTUVUDKUCPC-LLVKDONJSA-N -1 1 380.857 2.212 20 0 GEADMM O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc(I)c([O-])c1 ZINC000311544446 532777183 /nfs/dbraw/zinc/77/71/83/532777183.db2.gz ZBXVMZBFLSCPLQ-KOLCDFICSA-N -1 1 375.206 2.278 20 0 GEADMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000286998976 532778351 /nfs/dbraw/zinc/77/83/51/532778351.db2.gz TYAPQEPTNKXLFD-ZETCQYMHSA-N -1 1 391.291 2.005 20 0 GEADMM C[C@H]1[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000287008225 532778951 /nfs/dbraw/zinc/77/89/51/532778951.db2.gz FNRACLGVZNZHSV-SWLSCSKDSA-N -1 1 380.491 2.388 20 0 GEADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(I)ccc1[O-] ZINC000313545390 532779524 /nfs/dbraw/zinc/77/95/24/532779524.db2.gz NWYABBQUAHPNFO-GJZGRUSLSA-N -1 1 395.196 2.385 20 0 GEADMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509430605 532769572 /nfs/dbraw/zinc/76/95/72/532769572.db2.gz LFVXXALXKLKCIJ-PRHODGIISA-N -1 1 384.281 2.465 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](C)C[C@H](C)O ZINC000509440537 532770698 /nfs/dbraw/zinc/77/06/98/532770698.db2.gz XTSZRQWCUJYAAA-BDAKNGLRSA-N -1 1 384.281 2.465 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1(S(C)(=O)=O)CC1 ZINC000510458982 532774367 /nfs/dbraw/zinc/77/43/67/532774367.db2.gz SMQZZQDYSPOZSC-SSDOTTSWSA-N -1 1 390.285 2.377 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccccc2Br)c1 ZINC000513801235 532779857 /nfs/dbraw/zinc/77/98/57/532779857.db2.gz ROHONEWWIKJAJO-UHFFFAOYSA-N -1 1 388.239 2.350 20 0 GEADMM C[S@@](=O)Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000545749182 532784427 /nfs/dbraw/zinc/78/44/27/532784427.db2.gz QUBBZVLZKCOFES-XMMPIXPASA-N -1 1 377.447 2.416 20 0 GEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cn1 ZINC000269616478 532784864 /nfs/dbraw/zinc/78/48/64/532784864.db2.gz LQXJJAHQYSIWPW-UHFFFAOYSA-N -1 1 378.223 2.232 20 0 GEADMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cnn([C@H]2CCOC2)c1 ZINC000269684526 532785768 /nfs/dbraw/zinc/78/57/68/532785768.db2.gz HFWCRJXTDWEMIC-JTQLQIEISA-N -1 1 385.829 2.070 20 0 GEADMM CO[C@H]([C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000412387911 532789753 /nfs/dbraw/zinc/78/97/53/532789753.db2.gz BXXZBOUGRQNXND-LKFCYVNXSA-N -1 1 395.308 2.201 20 0 GEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)cc1 ZINC000326674906 532790378 /nfs/dbraw/zinc/79/03/78/532790378.db2.gz LUXLFFRNKASULQ-UHFFFAOYSA-N -1 1 386.426 2.201 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000328425509 532793827 /nfs/dbraw/zinc/79/38/27/532793827.db2.gz TYUUETHKLXHBNF-NSHDSACASA-N -1 1 397.762 2.056 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(Br)n1C ZINC000287672831 532805497 /nfs/dbraw/zinc/80/54/97/532805497.db2.gz DKIDLMHVAMVECZ-MGPQQGTHSA-N -1 1 396.310 2.355 20 0 GEADMM C[C@H](Cn1cncn1)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000554965234 532806785 /nfs/dbraw/zinc/80/67/85/532806785.db2.gz GGWNMNQASBSDKN-SECBINFHSA-N -1 1 376.214 2.113 20 0 GEADMM O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)c1cncc(Cl)c1 ZINC000328851024 532798444 /nfs/dbraw/zinc/79/84/44/532798444.db2.gz RXSUXOWSDBBJTK-UHFFFAOYSA-N -1 1 375.947 2.375 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2C2CCC2)c(F)c1 ZINC000328940701 532800136 /nfs/dbraw/zinc/80/01/36/532800136.db2.gz SPFOHUZLJUZHHR-AWEZNQCLSA-N -1 1 376.475 2.150 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCN1CC(F)(F)F ZINC000330502325 532820250 /nfs/dbraw/zinc/82/02/50/532820250.db2.gz BKNFQHZKYPBABO-JTQLQIEISA-N -1 1 388.770 2.311 20 0 GEADMM COC(C)(C)CS(=O)(=O)[N-]c1cc(F)c(Cl)cc1N1CCOCC1 ZINC000414384266 532823765 /nfs/dbraw/zinc/82/37/65/532823765.db2.gz PGIMELCNUYWFQL-UHFFFAOYSA-N -1 1 380.869 2.482 20 0 GEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2Cl)cn1 ZINC000414395092 532824254 /nfs/dbraw/zinc/82/42/54/532824254.db2.gz LWQJWVOJMFNGGZ-UHFFFAOYSA-N -1 1 375.834 2.001 20 0 GEADMM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1Br ZINC000414469334 532830636 /nfs/dbraw/zinc/83/06/36/532830636.db2.gz IWAKGXSRIRKYBB-UHFFFAOYSA-N -1 1 388.243 2.443 20 0 GEADMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)OCCO ZINC000288642197 532833609 /nfs/dbraw/zinc/83/36/09/532833609.db2.gz PIJNLTVDEVDDTB-UHFFFAOYSA-N -1 1 375.796 2.425 20 0 GEADMM CCC1(CC)CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCS1(=O)=O ZINC000331286140 532837214 /nfs/dbraw/zinc/83/72/14/532837214.db2.gz UEPWONKBUYWMIM-UHFFFAOYSA-N -1 1 375.874 2.484 20 0 GEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000071976022 206282135 /nfs/dbraw/zinc/28/21/35/206282135.db2.gz YPFLUWDNCMDLJE-UHFFFAOYSA-N -1 1 384.396 2.459 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332385103 532854079 /nfs/dbraw/zinc/85/40/79/532854079.db2.gz XTRLAIGMLPGSAG-SNVBAGLBSA-N -1 1 398.204 2.135 20 0 GEADMM O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000275043016 532862379 /nfs/dbraw/zinc/86/23/79/532862379.db2.gz RHXRXDRXKQXFBP-RNFRBKRXSA-N -1 1 382.182 2.035 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000289661756 532862134 /nfs/dbraw/zinc/86/21/34/532862134.db2.gz UISDZCBSQMTIHW-NSHDSACASA-N -1 1 382.379 2.213 20 0 GEADMM Cc1cc(CN(C)C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000289767960 532864610 /nfs/dbraw/zinc/86/46/10/532864610.db2.gz ZPCKQUGGAGALJY-UHFFFAOYSA-N -1 1 392.264 2.227 20 0 GEADMM O=S(=O)([N-]C[C@@]1(O)CCSC1)c1cc(Br)sc1Cl ZINC000333331393 532866962 /nfs/dbraw/zinc/86/69/62/532866962.db2.gz MWOZIANNHNSNEG-VIFPVBQESA-N -1 1 392.749 2.310 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000416240969 532868416 /nfs/dbraw/zinc/86/84/16/532868416.db2.gz CKWOWFUGNHJVSI-SNVBAGLBSA-N -1 1 394.225 2.289 20 0 GEADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1ccc(I)c([O-])c1 ZINC000416351451 532871732 /nfs/dbraw/zinc/87/17/32/532871732.db2.gz MUZARQWJFUYYKI-VIFPVBQESA-N -1 1 396.175 2.066 20 0 GEADMM O=S(=O)([N-]CCCn1cc(CO)nn1)c1c(Cl)cc(Cl)cc1Cl ZINC000290179187 532874390 /nfs/dbraw/zinc/87/43/90/532874390.db2.gz LBBKKYKDYSLTMA-UHFFFAOYSA-N -1 1 399.687 2.099 20 0 GEADMM CSc1nnc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)s1 ZINC000275593942 532879421 /nfs/dbraw/zinc/87/94/21/532879421.db2.gz JVSUNCDSGJMMTJ-UHFFFAOYSA-N -1 1 393.899 2.163 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)c(F)cc1Br ZINC000416441073 532877429 /nfs/dbraw/zinc/87/74/29/532877429.db2.gz QHLQPUVPCFBODM-SNVBAGLBSA-N -1 1 394.184 2.488 20 0 GEADMM Cc1nc(C)c(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290678610 532886745 /nfs/dbraw/zinc/88/67/45/532886745.db2.gz HVJYCQSEHIHKLY-NSHDSACASA-N -1 1 378.420 2.360 20 0 GEADMM COCCOCCN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000290572299 532884353 /nfs/dbraw/zinc/88/43/53/532884353.db2.gz GRZPKVCZNWAMGN-UHFFFAOYSA-N -1 1 383.242 2.438 20 0 GEADMM COC(=O)CCS(=O)(=O)[N-]c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000290572868 532884491 /nfs/dbraw/zinc/88/44/91/532884491.db2.gz UNPKLDQGYVFLFI-UHFFFAOYSA-N -1 1 377.344 2.196 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2nccs2)c2ccccc2)o1 ZINC000360229336 532890124 /nfs/dbraw/zinc/89/01/24/532890124.db2.gz HOASLGONXGSGQU-CQSZACIVSA-N -1 1 377.447 2.164 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)CCOCC2CC2)ccc1Br ZINC000424061371 532895264 /nfs/dbraw/zinc/89/52/64/532895264.db2.gz IRJNBVABDXFQGL-UHFFFAOYSA-N -1 1 392.271 2.404 20 0 GEADMM COC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000291201877 532898136 /nfs/dbraw/zinc/89/81/36/532898136.db2.gz GVKQUHBQTKEHFU-NSHDSACASA-N -1 1 395.308 2.157 20 0 GEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000363935138 532902265 /nfs/dbraw/zinc/90/22/65/532902265.db2.gz HTSDXSVTGZQNNF-SNVBAGLBSA-N -1 1 384.845 2.033 20 0 GEADMM CCCCS(=O)(=O)N1CCC(C(=O)Nc2nc(Cl)ccc2[O-])CC1 ZINC000276759447 532900773 /nfs/dbraw/zinc/90/07/73/532900773.db2.gz WXUPOKHECMCIGX-UHFFFAOYSA-N -1 1 375.878 2.221 20 0 GEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1ccc(Cl)nc1Cl ZINC000365304760 532909677 /nfs/dbraw/zinc/90/96/77/532909677.db2.gz CJJGNQXSHIUUCG-UHFFFAOYSA-N -1 1 384.248 2.448 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCOC[C@]12CCOC2 ZINC000291742247 532908100 /nfs/dbraw/zinc/90/81/00/532908100.db2.gz SHSCZBOJIRAQJS-QGZVFWFLSA-N -1 1 393.237 2.334 20 0 GEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc2c(s1)CCOC2 ZINC000292217547 532914127 /nfs/dbraw/zinc/91/41/27/532914127.db2.gz AESCOUMLVQOIFP-MWLCHTKSSA-N -1 1 376.400 2.492 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000293170690 532923069 /nfs/dbraw/zinc/92/30/69/532923069.db2.gz RYKSZGAMNQSXAJ-SNVBAGLBSA-N -1 1 383.779 2.104 20 0 GEADMM CCc1nc(CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cs1 ZINC000368505706 532933010 /nfs/dbraw/zinc/93/30/10/532933010.db2.gz ZVMADYGQNOXMSA-AWEZNQCLSA-N -1 1 380.836 2.459 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000368508497 532933102 /nfs/dbraw/zinc/93/31/02/532933102.db2.gz SOIUXBDHDVWXKF-UHFFFAOYSA-N -1 1 381.797 2.479 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)co1 ZINC000369511915 532939852 /nfs/dbraw/zinc/93/98/52/532939852.db2.gz VFKPSCBEHRHUFW-LLVKDONJSA-N -1 1 383.495 2.145 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCc2nc(-c3ccc(F)cc3)c[nH]2)c1Cl ZINC000370107828 532942316 /nfs/dbraw/zinc/94/23/16/532942316.db2.gz QDAVTSDBSISSIS-UHFFFAOYSA-N -1 1 383.836 2.124 20 0 GEADMM CCCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000371851224 532949692 /nfs/dbraw/zinc/94/96/92/532949692.db2.gz DGAPNUKLMWGOSG-UHFFFAOYSA-N -1 1 378.853 2.284 20 0 GEADMM Cn1cc([C@H]2[C@H](CNS(=O)(=O)c3ccc(Cl)s3)CCC[N@H+]2C)cn1 ZINC000371738503 532949514 /nfs/dbraw/zinc/94/95/14/532949514.db2.gz DMKTYHNLWHJOKK-XHDPSFHLSA-N -1 1 388.946 2.496 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(CCCOc2ccc3c(c2)OCO3)c2ccccc21 ZINC000738372781 598825632 /nfs/dbraw/zinc/82/56/32/598825632.db2.gz VKTREINBSFZFAC-UHFFFAOYSA-N -1 1 391.387 2.379 20 0 GEADMM CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736564256 598843090 /nfs/dbraw/zinc/84/30/90/598843090.db2.gz BQPYRVVBCXXXCU-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736564256 598843092 /nfs/dbraw/zinc/84/30/92/598843092.db2.gz BQPYRVVBCXXXCU-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2ccc(F)cc21 ZINC000738356192 598868431 /nfs/dbraw/zinc/86/84/31/598868431.db2.gz ZZHGGGRAJLBLNC-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2ccc(F)cc21 ZINC000738356192 598868433 /nfs/dbraw/zinc/86/84/33/598868433.db2.gz ZZHGGGRAJLBLNC-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)NC[C@H](O)C1CC1 ZINC000738111100 598907645 /nfs/dbraw/zinc/90/76/45/598907645.db2.gz HNHVAQAOBJBINX-AWEZNQCLSA-N -1 1 384.465 2.165 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@H](O)C1 ZINC000738111102 598907678 /nfs/dbraw/zinc/90/76/78/598907678.db2.gz HOHXTIQWNZNDQN-AWEZNQCLSA-N -1 1 384.465 2.262 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CC[C@@H](CO)C1 ZINC000738111116 598908542 /nfs/dbraw/zinc/90/85/42/598908542.db2.gz HXDDBDUTWIWXAA-CYBMUJFWSA-N -1 1 384.465 2.119 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000737301659 598930926 /nfs/dbraw/zinc/93/09/26/598930926.db2.gz QCYGYVTWZPEIME-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM CCN1CCc2ccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc21 ZINC000736570592 598931344 /nfs/dbraw/zinc/93/13/44/598931344.db2.gz ZOUWCWCBPQPOOS-UHFFFAOYSA-N -1 1 384.465 2.358 20 0 GEADMM Cc1cccc(C)c1OC[C@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737389285 598937091 /nfs/dbraw/zinc/93/70/91/598937091.db2.gz HNDRXVNBCZAMMN-CQSZACIVSA-N -1 1 391.435 2.279 20 0 GEADMM Cc1cccc(C)c1OC[C@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737389285 598937094 /nfs/dbraw/zinc/93/70/94/598937094.db2.gz HNDRXVNBCZAMMN-CQSZACIVSA-N -1 1 391.435 2.279 20 0 GEADMM C[C@@H](c1cccnc1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736202280 598944002 /nfs/dbraw/zinc/94/40/02/598944002.db2.gz IGUKOFSRYNGDJI-JTQLQIEISA-N -1 1 376.877 2.255 20 0 GEADMM CCc1ccccc1NC(=O)CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736701410 598954500 /nfs/dbraw/zinc/95/45/00/598954500.db2.gz BXKISTIPMRPEJE-UHFFFAOYSA-N -1 1 388.435 2.447 20 0 GEADMM CCc1ccccc1NC(=O)CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736701410 598954502 /nfs/dbraw/zinc/95/45/02/598954502.db2.gz BXKISTIPMRPEJE-UHFFFAOYSA-N -1 1 388.435 2.447 20 0 GEADMM O=C(CNc1c2ccccc2nnc1-c1nnn[n-]1)Nc1ccc(F)c(F)c1 ZINC000737895079 598954991 /nfs/dbraw/zinc/95/49/91/598954991.db2.gz KYNSYLLWLCWUJT-UHFFFAOYSA-N -1 1 382.334 2.139 20 0 GEADMM O=C(CNc1c2ccccc2nnc1-c1nn[n-]n1)Nc1ccc(F)c(F)c1 ZINC000737895079 598954992 /nfs/dbraw/zinc/95/49/92/598954992.db2.gz KYNSYLLWLCWUJT-UHFFFAOYSA-N -1 1 382.334 2.139 20 0 GEADMM CCOC(=O)N[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)CC(C)C ZINC000736601019 598957901 /nfs/dbraw/zinc/95/79/01/598957901.db2.gz QNWXCUAHPZUPCY-GFCCVEGCSA-N -1 1 384.444 2.383 20 0 GEADMM CCOC(=O)N[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)CC(C)C ZINC000736601019 598957902 /nfs/dbraw/zinc/95/79/02/598957902.db2.gz QNWXCUAHPZUPCY-GFCCVEGCSA-N -1 1 384.444 2.383 20 0 GEADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)n1[C@H](C)c1ccccc1 ZINC000737242591 598964674 /nfs/dbraw/zinc/96/46/74/598964674.db2.gz PCFJYVDOUVXKRK-GFCCVEGCSA-N -1 1 376.424 2.362 20 0 GEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738064443 598969851 /nfs/dbraw/zinc/96/98/51/598969851.db2.gz AWWJGAWRHVZZCC-UHFFFAOYSA-N -1 1 392.398 2.181 20 0 GEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738064443 598969853 /nfs/dbraw/zinc/96/98/53/598969853.db2.gz AWWJGAWRHVZZCC-UHFFFAOYSA-N -1 1 392.398 2.181 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737073696 598985190 /nfs/dbraw/zinc/98/51/90/598985190.db2.gz BAALZLFMLUZWBM-MRXNPFEDSA-N -1 1 380.408 2.256 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737073696 598985192 /nfs/dbraw/zinc/98/51/92/598985192.db2.gz BAALZLFMLUZWBM-MRXNPFEDSA-N -1 1 380.408 2.256 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000737617005 598985576 /nfs/dbraw/zinc/98/55/76/598985576.db2.gz YNUPXRNXRWSPOH-OAHLLOKOSA-N -1 1 394.826 2.168 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000737617005 598985577 /nfs/dbraw/zinc/98/55/77/598985577.db2.gz YNUPXRNXRWSPOH-OAHLLOKOSA-N -1 1 394.826 2.168 20 0 GEADMM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737150034 598992702 /nfs/dbraw/zinc/99/27/02/598992702.db2.gz KNJCROYEIZTJDJ-INIZCTEOSA-N -1 1 394.435 2.092 20 0 GEADMM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737150034 598992703 /nfs/dbraw/zinc/99/27/03/598992703.db2.gz KNJCROYEIZTJDJ-INIZCTEOSA-N -1 1 394.435 2.092 20 0 GEADMM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738115921 598993339 /nfs/dbraw/zinc/99/33/39/598993339.db2.gz FXQCSSOLZPUAFX-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738115921 598993340 /nfs/dbraw/zinc/99/33/40/598993340.db2.gz FXQCSSOLZPUAFX-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM C[C@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736292176 598994102 /nfs/dbraw/zinc/99/41/02/598994102.db2.gz ILSBKSGWSNPZKH-STQMWFEESA-N -1 1 379.424 2.128 20 0 GEADMM C[C@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736292176 598994103 /nfs/dbraw/zinc/99/41/03/598994103.db2.gz ILSBKSGWSNPZKH-STQMWFEESA-N -1 1 379.424 2.128 20 0 GEADMM CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736603472 598997011 /nfs/dbraw/zinc/99/70/11/598997011.db2.gz XAMNRSWWTYHMIT-UHFFFAOYSA-N -1 1 392.419 2.495 20 0 GEADMM CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736603472 598997012 /nfs/dbraw/zinc/99/70/12/598997012.db2.gz XAMNRSWWTYHMIT-UHFFFAOYSA-N -1 1 392.419 2.495 20 0 GEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Br)cc1F ZINC000736742198 598997056 /nfs/dbraw/zinc/99/70/56/598997056.db2.gz NJTDFZXDHSVWJX-UHFFFAOYSA-N -1 1 377.177 2.440 20 0 GEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Br)cc1F ZINC000736742198 598997057 /nfs/dbraw/zinc/99/70/57/598997057.db2.gz NJTDFZXDHSVWJX-UHFFFAOYSA-N -1 1 377.177 2.440 20 0 GEADMM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738040220 598997791 /nfs/dbraw/zinc/99/77/91/598997791.db2.gz PWKIFJSFFJUWCC-UHFFFAOYSA-N -1 1 398.854 2.393 20 0 GEADMM O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738040220 598997793 /nfs/dbraw/zinc/99/77/93/598997793.db2.gz PWKIFJSFFJUWCC-UHFFFAOYSA-N -1 1 398.854 2.393 20 0 GEADMM COc1ccc(Br)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737066773 599000518 /nfs/dbraw/zinc/00/05/18/599000518.db2.gz UTNBCPGWLVFFDU-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM COc1ccc(Br)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737066773 599000520 /nfs/dbraw/zinc/00/05/20/599000520.db2.gz UTNBCPGWLVFFDU-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738259617 599029109 /nfs/dbraw/zinc/02/91/09/599029109.db2.gz SSBHQZSFSPPTAH-OAHLLOKOSA-N -1 1 378.392 2.010 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738259617 599029111 /nfs/dbraw/zinc/02/91/11/599029111.db2.gz SSBHQZSFSPPTAH-OAHLLOKOSA-N -1 1 378.392 2.010 20 0 GEADMM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736200455 599029482 /nfs/dbraw/zinc/02/94/82/599029482.db2.gz SICGYPPOKZEEIK-LBPRGKRZSA-N -1 1 399.405 2.059 20 0 GEADMM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736200455 599029484 /nfs/dbraw/zinc/02/94/84/599029484.db2.gz SICGYPPOKZEEIK-LBPRGKRZSA-N -1 1 399.405 2.059 20 0 GEADMM CCc1cnc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)s1 ZINC000821499406 599059920 /nfs/dbraw/zinc/05/99/20/599059920.db2.gz JNXYRQUWOMKJIN-UHFFFAOYSA-N -1 1 393.480 2.155 20 0 GEADMM CCc1cnc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)s1 ZINC000821499406 599059923 /nfs/dbraw/zinc/05/99/23/599059923.db2.gz JNXYRQUWOMKJIN-UHFFFAOYSA-N -1 1 393.480 2.155 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000823521277 599096055 /nfs/dbraw/zinc/09/60/55/599096055.db2.gz UTVWFANSRHUMTM-KCQAQPDRSA-N -1 1 395.854 2.484 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000823521277 599096057 /nfs/dbraw/zinc/09/60/57/599096057.db2.gz UTVWFANSRHUMTM-KCQAQPDRSA-N -1 1 395.854 2.484 20 0 GEADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000737089596 599107306 /nfs/dbraw/zinc/10/73/06/599107306.db2.gz YKHXRQMIJKWQPE-HNNXBMFYSA-N -1 1 378.436 2.365 20 0 GEADMM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000737089596 599107308 /nfs/dbraw/zinc/10/73/08/599107308.db2.gz YKHXRQMIJKWQPE-HNNXBMFYSA-N -1 1 378.436 2.365 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(Cl)c(Cl)c1 ZINC000737908971 599136625 /nfs/dbraw/zinc/13/66/25/599136625.db2.gz NQJMDJAJGUOUDO-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(Cl)c(Cl)c1 ZINC000737908971 599136628 /nfs/dbraw/zinc/13/66/28/599136628.db2.gz NQJMDJAJGUOUDO-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737215004 599141333 /nfs/dbraw/zinc/14/13/33/599141333.db2.gz DLKZHDVSXCVJRE-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737215004 599141336 /nfs/dbraw/zinc/14/13/36/599141336.db2.gz DLKZHDVSXCVJRE-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1C(F)(F)F ZINC000737908990 599144013 /nfs/dbraw/zinc/14/40/13/599144013.db2.gz OLCMMIVUJWVQRB-UHFFFAOYSA-N -1 1 392.297 2.076 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1C(F)(F)F ZINC000737908990 599144016 /nfs/dbraw/zinc/14/40/16/599144016.db2.gz OLCMMIVUJWVQRB-UHFFFAOYSA-N -1 1 392.297 2.076 20 0 GEADMM CN1CC[C@@H](Sc2nc3c(c(-c4ccco4)c2-c2nn[n-]n2)CCC3)C1=O ZINC000736854539 599158911 /nfs/dbraw/zinc/15/89/11/599158911.db2.gz DJZSMBIKDBUPRB-CYBMUJFWSA-N -1 1 382.449 2.333 20 0 GEADMM CC[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736354499 599178305 /nfs/dbraw/zinc/17/83/05/599178305.db2.gz UBHXNARSOPEIFS-ZDUSSCGKSA-N -1 1 392.872 2.215 20 0 GEADMM CC[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736354499 599178308 /nfs/dbraw/zinc/17/83/08/599178308.db2.gz UBHXNARSOPEIFS-ZDUSSCGKSA-N -1 1 392.872 2.215 20 0 GEADMM CCc1cnc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)s1 ZINC000821499895 599194998 /nfs/dbraw/zinc/19/49/98/599194998.db2.gz USVPVMFNVVPIJP-UHFFFAOYSA-N -1 1 397.468 2.116 20 0 GEADMM CCc1cnc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)s1 ZINC000821499895 599194999 /nfs/dbraw/zinc/19/49/99/599194999.db2.gz USVPVMFNVVPIJP-UHFFFAOYSA-N -1 1 397.468 2.116 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2c(C)nn(C)c2C)c1-c1nn[n-]n1 ZINC000821987988 599209908 /nfs/dbraw/zinc/20/99/08/599209908.db2.gz BCGGTWQGEJBHIP-UHFFFAOYSA-N -1 1 398.496 2.141 20 0 GEADMM CS[C@H]1CCC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737169603 599226890 /nfs/dbraw/zinc/22/68/90/599226890.db2.gz BVEQXJLYDHDRHU-OLZOCXBDSA-N -1 1 390.513 2.307 20 0 GEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000676232411 597069437 /nfs/dbraw/zinc/06/94/37/597069437.db2.gz BBNBRPOUMQVNAG-HNNXBMFYSA-N -1 1 385.464 2.471 20 0 GEADMM COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818603271 597070086 /nfs/dbraw/zinc/07/00/86/597070086.db2.gz ASBGKGZMWCISIF-JSGCOSHPSA-N -1 1 377.441 2.167 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@H](SC)C2)cc1-c1nn[n-]n1 ZINC000737187805 599242661 /nfs/dbraw/zinc/24/26/61/599242661.db2.gz VPCQYWYWQLIXLP-IUCAKERBSA-N -1 1 380.499 2.093 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000485545082 597278543 /nfs/dbraw/zinc/27/85/43/597278543.db2.gz OORWGGNVKHYGAN-UHFFFAOYSA-N -1 1 392.433 2.091 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)[O-])c1 ZINC000738128812 597494245 /nfs/dbraw/zinc/49/42/45/597494245.db2.gz WLEWOPBZHPWJAW-NSHDSACASA-N -1 1 379.390 2.126 20 0 GEADMM C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000737719931 597494306 /nfs/dbraw/zinc/49/43/06/597494306.db2.gz XOOVIHJYVQIGRM-SECBINFHSA-N -1 1 385.344 2.396 20 0 GEADMM O=C(Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1)N1CCSCC1 ZINC000823082648 607315263 /nfs/dbraw/zinc/31/52/63/607315263.db2.gz OEEVERZBBLTAMT-UHFFFAOYSA-N -1 1 384.465 2.190 20 0 GEADMM O=C(Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1)N1CCSCC1 ZINC000823082648 607315264 /nfs/dbraw/zinc/31/52/64/607315264.db2.gz OEEVERZBBLTAMT-UHFFFAOYSA-N -1 1 384.465 2.190 20 0 GEADMM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000820620131 598022811 /nfs/dbraw/zinc/02/28/11/598022811.db2.gz GLUZQZZCLXIVPC-DLBZAZTESA-N -1 1 385.395 2.024 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000820535886 598175056 /nfs/dbraw/zinc/17/50/56/598175056.db2.gz VDXFRFGZNPKMIE-INIZCTEOSA-N -1 1 389.839 2.396 20 0 GEADMM O=C(OCc1ccc(OC2CCOCC2)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826465779 607779851 /nfs/dbraw/zinc/77/98/51/607779851.db2.gz BTMQLFTZLWEPNC-UHFFFAOYSA-N -1 1 387.421 2.238 20 0 GEADMM O=C(OCc1ccc(OC2CCOCC2)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826465779 607779852 /nfs/dbraw/zinc/77/98/52/607779852.db2.gz BTMQLFTZLWEPNC-UHFFFAOYSA-N -1 1 387.421 2.238 20 0 GEADMM O=C([O-])c1cccc(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000263506102 598210606 /nfs/dbraw/zinc/21/06/06/598210606.db2.gz XEUZQQBUIUKKMY-UHFFFAOYSA-N -1 1 392.452 2.467 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000736132831 598258733 /nfs/dbraw/zinc/25/87/33/598258733.db2.gz XRZCLMBCAHMXBJ-HDPALTEOSA-N -1 1 388.497 2.145 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000736132831 598258735 /nfs/dbraw/zinc/25/87/35/598258735.db2.gz XRZCLMBCAHMXBJ-HDPALTEOSA-N -1 1 388.497 2.145 20 0 GEADMM O=S(=O)(NCC1(c2ccccc2)CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343653 598264164 /nfs/dbraw/zinc/26/41/64/598264164.db2.gz STPKZDMOSXDKKL-UHFFFAOYSA-N -1 1 398.492 2.442 20 0 GEADMM O=S(=O)(NCC1(c2ccccc2)CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343653 598264166 /nfs/dbraw/zinc/26/41/66/598264166.db2.gz STPKZDMOSXDKKL-UHFFFAOYSA-N -1 1 398.492 2.442 20 0 GEADMM CN(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736814103 598266624 /nfs/dbraw/zinc/26/66/24/598266624.db2.gz HSNDXTDVLSBIHU-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CN(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736814103 598266626 /nfs/dbraw/zinc/26/66/26/598266626.db2.gz HSNDXTDVLSBIHU-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000738356239 598268314 /nfs/dbraw/zinc/26/83/14/598268314.db2.gz ZRBLTHYJFTWOJM-OAHLLOKOSA-N -1 1 384.465 2.048 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000738356239 598268316 /nfs/dbraw/zinc/26/83/16/598268316.db2.gz ZRBLTHYJFTWOJM-OAHLLOKOSA-N -1 1 384.465 2.048 20 0 GEADMM O=S(=O)(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738331862 598269524 /nfs/dbraw/zinc/26/95/24/598269524.db2.gz XKMIAHBCHZYYOK-UHFFFAOYSA-N -1 1 390.856 2.273 20 0 GEADMM O=S(=O)(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738331862 598269526 /nfs/dbraw/zinc/26/95/26/598269526.db2.gz XKMIAHBCHZYYOK-UHFFFAOYSA-N -1 1 390.856 2.273 20 0 GEADMM CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735874669 598270160 /nfs/dbraw/zinc/27/01/60/598270160.db2.gz UCCCWQIFNISKKA-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735874669 598270162 /nfs/dbraw/zinc/27/01/62/598270162.db2.gz UCCCWQIFNISKKA-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM O=S(=O)(NCc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339551 598271543 /nfs/dbraw/zinc/27/15/43/598271543.db2.gz RMCISBGVPJPIAB-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=S(=O)(NCc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339551 598271545 /nfs/dbraw/zinc/27/15/45/598271545.db2.gz RMCISBGVPJPIAB-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000737548093 598346102 /nfs/dbraw/zinc/34/61/02/598346102.db2.gz MFVJAFAZWHQYID-CQSZACIVSA-N -1 1 392.423 2.060 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000737548093 598346104 /nfs/dbraw/zinc/34/61/04/598346104.db2.gz MFVJAFAZWHQYID-CQSZACIVSA-N -1 1 392.423 2.060 20 0 GEADMM CCc1nn(Cc2cccc(OC(F)F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705842 598377845 /nfs/dbraw/zinc/37/78/45/598377845.db2.gz BMMLSKAQROWHHU-UHFFFAOYSA-N -1 1 376.367 2.198 20 0 GEADMM CCOC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736598322 598400350 /nfs/dbraw/zinc/40/03/50/598400350.db2.gz AGORFRUJKHCCKK-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM CCOC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736598322 598400352 /nfs/dbraw/zinc/40/03/52/598400352.db2.gz AGORFRUJKHCCKK-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM CC(=O)NCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735474294 598411019 /nfs/dbraw/zinc/41/10/19/598411019.db2.gz NPPSIIGFROJCSR-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM CC(=O)NCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735474294 598411021 /nfs/dbraw/zinc/41/10/21/598411021.db2.gz NPPSIIGFROJCSR-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM c1coc(-c2c3c(nc(SCCn4cncn4)c2-c2nn[n-]n2)CCC3)c1 ZINC000738447482 598427133 /nfs/dbraw/zinc/42/71/33/598427133.db2.gz FXNXOQZGFGQYGU-UHFFFAOYSA-N -1 1 380.437 2.394 20 0 GEADMM COc1ccc([C@H](C)C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737071382 598475570 /nfs/dbraw/zinc/47/55/70/598475570.db2.gz FALUSUZGFAFGJI-NSHDSACASA-N -1 1 399.407 2.371 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cccnc2C)c1-c1nn[n-]n1 ZINC000737503755 598513074 /nfs/dbraw/zinc/51/30/74/598513074.db2.gz YKFCJEFNHPHDCX-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736565729 598543229 /nfs/dbraw/zinc/54/32/29/598543229.db2.gz OZGLEZNTMKEGKW-OAHLLOKOSA-N -1 1 395.814 2.149 20 0 GEADMM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736565729 598543230 /nfs/dbraw/zinc/54/32/30/598543230.db2.gz OZGLEZNTMKEGKW-OAHLLOKOSA-N -1 1 395.814 2.149 20 0 GEADMM COc1ccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000737098111 598595717 /nfs/dbraw/zinc/59/57/17/598595717.db2.gz BVAQMCWHRFQPRM-UHFFFAOYSA-N -1 1 392.416 2.013 20 0 GEADMM COc1ccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000737098111 598595718 /nfs/dbraw/zinc/59/57/18/598595718.db2.gz BVAQMCWHRFQPRM-UHFFFAOYSA-N -1 1 392.416 2.013 20 0 GEADMM CCc1nn(CC(=O)c2ccc(Cl)s2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705798 598642219 /nfs/dbraw/zinc/64/22/19/598642219.db2.gz OZZVCOPJXITUJH-UHFFFAOYSA-N -1 1 378.845 2.146 20 0 GEADMM CCc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705341 598643127 /nfs/dbraw/zinc/64/31/27/598643127.db2.gz GSXMWOMJWFRBIW-UHFFFAOYSA-N -1 1 395.467 2.310 20 0 GEADMM CCN(c1ccccc1OC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736565377 598663506 /nfs/dbraw/zinc/66/35/06/598663506.db2.gz UTTLYQSOGROYNK-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2cc(F)c(F)cc21 ZINC000738353800 598664013 /nfs/dbraw/zinc/66/40/13/598664013.db2.gz HAKKAXJYTSXDEN-UHFFFAOYSA-N -1 1 381.339 2.035 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000737198632 598671132 /nfs/dbraw/zinc/67/11/32/598671132.db2.gz BNIIQJORLZRAJK-LLVKDONJSA-N -1 1 394.435 2.331 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H](C)C(F)(F)F ZINC000826328266 607363922 /nfs/dbraw/zinc/36/39/22/607363922.db2.gz LGYHODZEGDKOSP-MRVPVSSYSA-N -1 1 397.361 2.200 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H](C)C(F)(F)F ZINC000826328266 607363924 /nfs/dbraw/zinc/36/39/24/607363924.db2.gz LGYHODZEGDKOSP-MRVPVSSYSA-N -1 1 397.361 2.200 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736371533 598686675 /nfs/dbraw/zinc/68/66/75/598686675.db2.gz VWOPNVKPDRQNES-MRXNPFEDSA-N -1 1 391.428 2.444 20 0 GEADMM Cc1ccc(OCCN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737365014 598689007 /nfs/dbraw/zinc/68/90/07/598689007.db2.gz IVYYMRRDCYSSQH-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCC[C@@H]2CCCC[C@H]21 ZINC000737980951 598719985 /nfs/dbraw/zinc/71/99/85/598719985.db2.gz HAPXPVRXZIRVCE-WMLDXEAASA-N -1 1 392.463 2.363 20 0 GEADMM Cn1c(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)nnc1-c1ccccc1 ZINC000737591396 598720115 /nfs/dbraw/zinc/72/01/15/598720115.db2.gz JVYYSZOPJPYIQG-UHFFFAOYSA-N -1 1 384.403 2.025 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@H]21 ZINC000737980950 598720187 /nfs/dbraw/zinc/72/01/87/598720187.db2.gz HAPXPVRXZIRVCE-RHSMWYFYSA-N -1 1 392.463 2.363 20 0 GEADMM CC(=O)c1ccccc1OCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735504082 598720805 /nfs/dbraw/zinc/72/08/05/598720805.db2.gz MGNHUDGAZMPUCQ-UHFFFAOYSA-N -1 1 375.388 2.463 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCc1ccc(F)cc1 ZINC000737202267 598740096 /nfs/dbraw/zinc/74/00/96/598740096.db2.gz ZIBNCBWWIPTFAQ-UHFFFAOYSA-N -1 1 385.399 2.442 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Oc1cc(C(N)=O)ccc1C ZINC000737318846 598748831 /nfs/dbraw/zinc/74/88/31/598748831.db2.gz FNEZVNBBLBTICA-UHFFFAOYSA-N -1 1 392.375 2.185 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Oc1cc(C(N)=O)ccc1C ZINC000737318846 598748832 /nfs/dbraw/zinc/74/88/32/598748832.db2.gz FNEZVNBBLBTICA-UHFFFAOYSA-N -1 1 392.375 2.185 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCS[C@H](C)C2)c1-c1nn[n-]n1 ZINC000737188713 598754624 /nfs/dbraw/zinc/75/46/24/598754624.db2.gz DPKLUPPOMLKODZ-SECBINFHSA-N -1 1 376.511 2.439 20 0 GEADMM CCc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000736689423 599293513 /nfs/dbraw/zinc/29/35/13/599293513.db2.gz WOSQOEAVZWNPBO-OAHLLOKOSA-N -1 1 388.453 2.333 20 0 GEADMM CCc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000736689423 599293515 /nfs/dbraw/zinc/29/35/15/599293515.db2.gz WOSQOEAVZWNPBO-OAHLLOKOSA-N -1 1 388.453 2.333 20 0 GEADMM CCCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000736488935 599313608 /nfs/dbraw/zinc/31/36/08/599313608.db2.gz VIHXOBCTADJGTM-UHFFFAOYSA-N -1 1 388.453 2.498 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(Cc1cccc(F)c1)C1CC1 ZINC000823607940 599339487 /nfs/dbraw/zinc/33/94/87/599339487.db2.gz ZUHAQCHAZGZFJP-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(Cc1cccc(F)c1)C1CC1 ZINC000823607940 599339489 /nfs/dbraw/zinc/33/94/89/599339489.db2.gz ZUHAQCHAZGZFJP-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM CCOc1cc(CCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC ZINC000736627022 599377791 /nfs/dbraw/zinc/37/77/91/599377791.db2.gz WZLYANRECVYMBQ-UHFFFAOYSA-N -1 1 382.424 2.032 20 0 GEADMM CCOc1cc(CCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC ZINC000736627022 599377794 /nfs/dbraw/zinc/37/77/94/599377794.db2.gz WZLYANRECVYMBQ-UHFFFAOYSA-N -1 1 382.424 2.032 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC([C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000737190342 599388911 /nfs/dbraw/zinc/38/89/11/599388911.db2.gz YLGXIKKNSLBVIT-SNVBAGLBSA-N -1 1 388.497 2.094 20 0 GEADMM COc1cc(OC)cc([C@H](NCc2ccc(-c3nnn[n-]3)o2)c2nccn2C)c1 ZINC000821723763 599401866 /nfs/dbraw/zinc/40/18/66/599401866.db2.gz JGXQLPADGDNVEI-KRWDZBQOSA-N -1 1 395.423 2.090 20 0 GEADMM COc1cc(OC)cc([C@H](NCc2ccc(-c3nn[n-]n3)o2)c2nccn2C)c1 ZINC000821723763 599401869 /nfs/dbraw/zinc/40/18/69/599401869.db2.gz JGXQLPADGDNVEI-KRWDZBQOSA-N -1 1 395.423 2.090 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)C[C@H](C)O1 ZINC000736292603 599418949 /nfs/dbraw/zinc/41/89/49/599418949.db2.gz PIQJGNAEAAVFTI-OKILXGFUSA-N -1 1 393.451 2.123 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2)C[C@H](C)O1 ZINC000736292603 599418951 /nfs/dbraw/zinc/41/89/51/599418951.db2.gz PIQJGNAEAAVFTI-OKILXGFUSA-N -1 1 393.451 2.123 20 0 GEADMM CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821591067 607376028 /nfs/dbraw/zinc/37/60/28/607376028.db2.gz TVEXQLGFELACIE-UHFFFAOYSA-N -1 1 392.872 2.411 20 0 GEADMM Clc1cccc([C@H](CNc2cccc(-c3nnn[n-]3)n2)N2CCOCC2)c1 ZINC000737573199 599427024 /nfs/dbraw/zinc/42/70/24/599427024.db2.gz AVTUMTICKIOOBZ-INIZCTEOSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1cccc([C@H](CNc2cccc(-c3nn[n-]n3)n2)N2CCOCC2)c1 ZINC000737573199 599427027 /nfs/dbraw/zinc/42/70/27/599427027.db2.gz AVTUMTICKIOOBZ-INIZCTEOSA-N -1 1 385.859 2.401 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979641 599448942 /nfs/dbraw/zinc/44/89/42/599448942.db2.gz UOVZWQSMXXJVLV-UGSOOPFHSA-N -1 1 382.449 2.149 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](C)Cc2cccs2)cc1-c1nn[n-]n1 ZINC000821979757 599450363 /nfs/dbraw/zinc/45/03/63/599450363.db2.gz WGJWKYNEDQQVGS-SECBINFHSA-N -1 1 390.494 2.359 20 0 GEADMM Cc1c(Cl)ccc2c1N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737216382 599452009 /nfs/dbraw/zinc/45/20/09/599452009.db2.gz SKFMOIDYBNOZTQ-UHFFFAOYSA-N -1 1 390.856 2.365 20 0 GEADMM Cc1c(Cl)ccc2c1N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737216382 599452011 /nfs/dbraw/zinc/45/20/11/599452011.db2.gz SKFMOIDYBNOZTQ-UHFFFAOYSA-N -1 1 390.856 2.365 20 0 GEADMM Cc1nc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)cs1 ZINC000737477793 599476466 /nfs/dbraw/zinc/47/64/66/599476466.db2.gz OVORQXFDJPOFLR-UHFFFAOYSA-N -1 1 398.452 2.202 20 0 GEADMM O[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)COc1ccc(F)cc1 ZINC000823690892 599494341 /nfs/dbraw/zinc/49/43/41/599494341.db2.gz XFKBWBLELXSIBK-ZDUSSCGKSA-N -1 1 380.383 2.406 20 0 GEADMM O[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)COc1ccc(F)cc1 ZINC000823690892 599494343 /nfs/dbraw/zinc/49/43/43/599494343.db2.gz XFKBWBLELXSIBK-ZDUSSCGKSA-N -1 1 380.383 2.406 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1Cc1ccccc1 ZINC000823513059 599501285 /nfs/dbraw/zinc/50/12/85/599501285.db2.gz RVMZNZKPNDWHNE-KRWDZBQOSA-N -1 1 385.431 2.050 20 0 GEADMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1Cc1ccccc1 ZINC000823513059 599501286 /nfs/dbraw/zinc/50/12/86/599501286.db2.gz RVMZNZKPNDWHNE-KRWDZBQOSA-N -1 1 385.431 2.050 20 0 GEADMM CC(C)C(=O)NC[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000820012215 599515416 /nfs/dbraw/zinc/51/54/16/599515416.db2.gz WMNYFAYOBOCNAL-CQSZACIVSA-N -1 1 379.468 2.404 20 0 GEADMM CC(C)C(=O)NC[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000820012215 599515417 /nfs/dbraw/zinc/51/54/17/599515417.db2.gz WMNYFAYOBOCNAL-CQSZACIVSA-N -1 1 379.468 2.404 20 0 GEADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)Nc1ccnn1C1CCCC1 ZINC000823026713 599659212 /nfs/dbraw/zinc/65/92/12/599659212.db2.gz CEZZQTUYSCAECS-UHFFFAOYSA-N -1 1 387.425 2.035 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820506591 599661610 /nfs/dbraw/zinc/66/16/10/599661610.db2.gz BVACMEMZZGDTAO-LLVKDONJSA-N -1 1 377.364 2.154 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820506591 599661611 /nfs/dbraw/zinc/66/16/11/599661611.db2.gz BVACMEMZZGDTAO-LLVKDONJSA-N -1 1 377.364 2.154 20 0 GEADMM CCCc1ncc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000821143458 599665474 /nfs/dbraw/zinc/66/54/74/599665474.db2.gz VXQZSYHCXOKTHA-UHFFFAOYSA-N -1 1 390.425 2.281 20 0 GEADMM Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3occc3C(=O)[O-])C2)cc1 ZINC000516777273 599719909 /nfs/dbraw/zinc/71/99/09/599719909.db2.gz TUBQJVVMKMBEIA-OAHLLOKOSA-N -1 1 392.477 2.477 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1cccs1 ZINC000737361461 599721572 /nfs/dbraw/zinc/72/15/72/599721572.db2.gz OJGPJPMYKJRKBM-ZDUSSCGKSA-N -1 1 394.428 2.335 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cn3cncn3)c2)c(Cl)c1 ZINC000489563480 599726837 /nfs/dbraw/zinc/72/68/37/599726837.db2.gz NETXAZIKVJAXFF-UHFFFAOYSA-N -1 1 392.824 2.479 20 0 GEADMM COC(=O)c1cc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc(C(=O)[O-])c1 ZINC000737662169 599735356 /nfs/dbraw/zinc/73/53/56/599735356.db2.gz LUEDETXKBSGPJA-UHFFFAOYSA-N -1 1 395.375 2.278 20 0 GEADMM COC(=O)c1cc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc(C(=O)[O-])c1 ZINC000737662169 599735359 /nfs/dbraw/zinc/73/53/59/599735359.db2.gz LUEDETXKBSGPJA-UHFFFAOYSA-N -1 1 395.375 2.278 20 0 GEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C/c2ccc(Br)cc2)n1 ZINC000739919705 599738928 /nfs/dbraw/zinc/73/89/28/599738928.db2.gz HMKJQMJISJDRJM-SOFGYWHQSA-N -1 1 386.227 2.143 20 0 GEADMM COc1ccnc(N2CCN(C(=O)Cn3cc(C(=O)[O-])c4ccccc43)CC2)c1 ZINC000738144006 599774582 /nfs/dbraw/zinc/77/45/82/599774582.db2.gz XGCDGORZVDQHGN-UHFFFAOYSA-N -1 1 394.431 2.092 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820657123 607404953 /nfs/dbraw/zinc/40/49/53/607404953.db2.gz JNSVRQQMNDEMCC-GHMZBOCLSA-N -1 1 392.485 2.446 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820657123 607404954 /nfs/dbraw/zinc/40/49/54/607404954.db2.gz JNSVRQQMNDEMCC-GHMZBOCLSA-N -1 1 392.485 2.446 20 0 GEADMM O=C([O-])CSCCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000739859792 599902649 /nfs/dbraw/zinc/90/26/49/599902649.db2.gz GJEOZTNUIAMONI-UHFFFAOYSA-N -1 1 385.917 2.421 20 0 GEADMM O=C([O-])c1cn(CC(=O)NCc2n[nH]c(-c3ccccc3)n2)c2ccccc12 ZINC000739359589 599929216 /nfs/dbraw/zinc/92/92/16/599929216.db2.gz NOFLDXDYAQFKBS-UHFFFAOYSA-N -1 1 375.388 2.441 20 0 GEADMM O=C([O-])c1cn(CC(=O)NCc2nc(-c3ccccc3)n[nH]2)c2ccccc12 ZINC000739359589 599929219 /nfs/dbraw/zinc/92/92/19/599929219.db2.gz NOFLDXDYAQFKBS-UHFFFAOYSA-N -1 1 375.388 2.441 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736653001 599954498 /nfs/dbraw/zinc/95/44/98/599954498.db2.gz SHLRYICMHNCCBO-NSHDSACASA-N -1 1 381.392 2.434 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)CC(=O)Nc3cc(C(=O)[O-])ccc3C)C2)nn1 ZINC000738614342 599957122 /nfs/dbraw/zinc/95/71/22/599957122.db2.gz KNELNSYSJQIKRT-QGZVFWFLSA-N -1 1 397.479 2.331 20 0 GEADMM CCOCCN1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@H]1CC ZINC000737177634 599962259 /nfs/dbraw/zinc/96/22/59/599962259.db2.gz YCGZKFCFUDTIRF-SJLPKXTDSA-N -1 1 391.512 2.453 20 0 GEADMM Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738850591 599969117 /nfs/dbraw/zinc/96/91/17/599969117.db2.gz QQFIUWPZUSZOML-KSSFIOAISA-N -1 1 399.495 2.010 20 0 GEADMM C[C@H](CN(Cc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000574883849 600024246 /nfs/dbraw/zinc/02/42/46/600024246.db2.gz JJXSJFHNFCVXAZ-CQSZACIVSA-N -1 1 387.461 2.231 20 0 GEADMM CC(C)[C@H](NC(=O)CN1CCC(C(=O)[O-])CC1)c1ccc2c(c1)OCCCO2 ZINC000262606393 600033891 /nfs/dbraw/zinc/03/38/91/600033891.db2.gz AWWHRLBLVXRHDQ-FQEVSTJZSA-N -1 1 390.480 2.458 20 0 GEADMM O=C([O-])C1CCN(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000262646114 600033971 /nfs/dbraw/zinc/03/39/71/600033971.db2.gz KBYUZVFAEGDSAO-UHFFFAOYSA-N -1 1 399.413 2.151 20 0 GEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000649453408 600076795 /nfs/dbraw/zinc/07/67/95/600076795.db2.gz CYLAXKRDYBEPME-QZTJIDSGSA-N -1 1 380.448 2.063 20 0 GEADMM O=C([O-])c1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000327018566 600083038 /nfs/dbraw/zinc/08/30/38/600083038.db2.gz DEUMFVMVUDMIBW-GFCCVEGCSA-N -1 1 380.491 2.458 20 0 GEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000739545668 600112208 /nfs/dbraw/zinc/11/22/08/600112208.db2.gz AFEBWNDUVJJIPN-NXEZZACHSA-N -1 1 384.410 2.347 20 0 GEADMM O=C([O-])Nc1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)ccc1F ZINC000740005316 600123276 /nfs/dbraw/zinc/12/32/76/600123276.db2.gz MTFJIBNOSKTPFM-UHFFFAOYSA-N -1 1 398.350 2.126 20 0 GEADMM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822328415 607425006 /nfs/dbraw/zinc/42/50/06/607425006.db2.gz PIOFMMKZAKDVDE-JKSUJKDBSA-N -1 1 396.455 2.420 20 0 GEADMM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822328415 607425007 /nfs/dbraw/zinc/42/50/07/607425007.db2.gz PIOFMMKZAKDVDE-JKSUJKDBSA-N -1 1 396.455 2.420 20 0 GEADMM CN(CC(=O)Nc1ccccc1Cl)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737397255 600149258 /nfs/dbraw/zinc/14/92/58/600149258.db2.gz RHDZNJZVISBDRH-UHFFFAOYSA-N -1 1 381.860 2.114 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C(=O)[O-])cc1 ZINC000738567513 600155664 /nfs/dbraw/zinc/15/56/64/600155664.db2.gz ONHQFLJUNBDWSR-OAHLLOKOSA-N -1 1 397.456 2.129 20 0 GEADMM CCN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000652412753 600157098 /nfs/dbraw/zinc/15/70/98/600157098.db2.gz ZXLZLGGKEDJLSK-QUCCMNQESA-N -1 1 398.459 2.252 20 0 GEADMM O=C([O-])[C@@H](CNC(=O)[C@H]1CCCN1Cc1ccccc1)Cc1ccc(O)cc1 ZINC000739498926 600172914 /nfs/dbraw/zinc/17/29/14/600172914.db2.gz NPWIIIXQTSNUAR-UYAOXDASSA-N -1 1 382.460 2.416 20 0 GEADMM O=C([O-])c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000740146754 600185198 /nfs/dbraw/zinc/18/51/98/600185198.db2.gz GCFKHUQSYPXUSF-ZIAGYGMSSA-N -1 1 399.394 2.049 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)OCc1ccccc1 ZINC000826232828 607431546 /nfs/dbraw/zinc/43/15/46/607431546.db2.gz KDJZJQHHZTYLMB-UHFFFAOYSA-N -1 1 382.424 2.107 20 0 GEADMM CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(C)[nH]c3C(=O)[O-])cc21 ZINC000736133745 600255420 /nfs/dbraw/zinc/25/54/20/600255420.db2.gz CVRLSCTUXCNEFO-UHFFFAOYSA-N -1 1 377.422 2.121 20 0 GEADMM CCOCCN1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@H]1CC ZINC000737176062 600270295 /nfs/dbraw/zinc/27/02/95/600270295.db2.gz HPIWOAOJCNMISM-GOSISDBHSA-N -1 1 377.485 2.070 20 0 GEADMM CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000737163171 600285699 /nfs/dbraw/zinc/28/56/99/600285699.db2.gz ZJRZTPJFHNKKOC-KGLIPLIRSA-N -1 1 392.452 2.247 20 0 GEADMM O=C([O-])CCCc1nc(CN2CCCN(Cc3ccc(F)cc3)CC2)no1 ZINC000739697366 600287244 /nfs/dbraw/zinc/28/72/44/600287244.db2.gz JLQROZIATCKELA-UHFFFAOYSA-N -1 1 376.432 2.324 20 0 GEADMM COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738049955 600293147 /nfs/dbraw/zinc/29/31/47/600293147.db2.gz VLVCYWKFQSHYJN-CZUORRHYSA-N -1 1 376.453 2.068 20 0 GEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737648031 600300536 /nfs/dbraw/zinc/30/05/36/600300536.db2.gz CYYHXSZVCIYPKG-UHFFFAOYSA-N -1 1 378.406 2.350 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccco1 ZINC000737086117 600315623 /nfs/dbraw/zinc/31/56/23/600315623.db2.gz VOVQMZIZHSZQCD-HNNXBMFYSA-N -1 1 391.399 2.255 20 0 GEADMM O=C([O-])C1(NCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCCC1 ZINC000739306590 600320650 /nfs/dbraw/zinc/32/06/50/600320650.db2.gz GCUHBTPEEPRESU-UHFFFAOYSA-N -1 1 393.528 2.005 20 0 GEADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@H](c2ccco2)C1 ZINC000739278564 600325320 /nfs/dbraw/zinc/32/53/20/600325320.db2.gz QDEWUAKHHITLPV-KDOFPFPSSA-N -1 1 381.432 2.362 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000738519592 600377945 /nfs/dbraw/zinc/37/79/45/600377945.db2.gz SQJREDIXKCKIBB-RDJZCZTQSA-N -1 1 387.480 2.355 20 0 GEADMM O=C([O-])[C@H](c1ccccc1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000517948699 600405554 /nfs/dbraw/zinc/40/55/54/600405554.db2.gz HYWZUIGNTIUNDM-WMZOPIPTSA-N -1 1 392.452 2.394 20 0 GEADMM O=C([O-])Nc1ccc(CCNC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000740018180 600410471 /nfs/dbraw/zinc/41/04/71/600410471.db2.gz ZAEKYSPKMNPNES-UHFFFAOYSA-N -1 1 395.419 2.132 20 0 GEADMM O=C([O-])Nc1ccc(CNC(=O)CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000740024235 600443470 /nfs/dbraw/zinc/44/34/70/600443470.db2.gz BLTOGEYPVIYQMT-IBGZPJMESA-N -1 1 383.448 2.375 20 0 GEADMM CS(=O)(=O)Nc1cc(F)ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738163441 600452226 /nfs/dbraw/zinc/45/22/26/600452226.db2.gz DPXWQSJCEYIUDN-AWEZNQCLSA-N -1 1 385.344 2.319 20 0 GEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1n[nH]c(C)c1Br ZINC000737167374 600499191 /nfs/dbraw/zinc/49/91/91/600499191.db2.gz HSOCKTXZHYTTNH-SECBINFHSA-N -1 1 376.251 2.070 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCC[C@@H](C(=O)N(C)C)C3)c12 ZINC000738363832 600505442 /nfs/dbraw/zinc/50/54/42/600505442.db2.gz NXLIEFQYUWBIOB-NEPJUHHUSA-N -1 1 376.482 2.487 20 0 GEADMM Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1N1C(=O)CCC1=O ZINC000738463845 600536517 /nfs/dbraw/zinc/53/65/17/600536517.db2.gz PWPSOIGYJWISME-UHFFFAOYSA-N -1 1 394.430 2.209 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)CNC3(C(=O)[O-])CCCC3)cc2)C[C@H](C)O1 ZINC000736828332 600558216 /nfs/dbraw/zinc/55/82/16/600558216.db2.gz XIHPSLHEYDVVNO-GJZGRUSLSA-N -1 1 375.469 2.226 20 0 GEADMM CC[C@@](C)(NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C(=O)[O-] ZINC000736861162 600562710 /nfs/dbraw/zinc/56/27/10/600562710.db2.gz GOFOQGXXDNMSSF-LJQANCHMSA-N -1 1 376.453 2.186 20 0 GEADMM CC[C@](C)(NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000736863210 600563691 /nfs/dbraw/zinc/56/36/91/600563691.db2.gz JNHYRDZPIWFDLC-ZDUSSCGKSA-N -1 1 376.194 2.073 20 0 GEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000737168059 600578630 /nfs/dbraw/zinc/57/86/30/600578630.db2.gz LJPIHVJWRCXETB-LLVKDONJSA-N -1 1 393.465 2.214 20 0 GEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000736468246 600608138 /nfs/dbraw/zinc/60/81/38/600608138.db2.gz JJRZFWHTXUAUBA-QGZVFWFLSA-N -1 1 385.823 2.389 20 0 GEADMM C[C@@H](Sc1ccccc1C(=O)N1CCN(CC2CCOCC2)CC1)C(=O)[O-] ZINC000736712180 600609358 /nfs/dbraw/zinc/60/93/58/600609358.db2.gz KBCNKCYZTPRXCT-OAHLLOKOSA-N -1 1 392.521 2.436 20 0 GEADMM C[C@@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000736598556 600642956 /nfs/dbraw/zinc/64/29/56/600642956.db2.gz MALKXLQJRBRVAG-INIZCTEOSA-N -1 1 397.475 2.396 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000739882560 600647238 /nfs/dbraw/zinc/64/72/38/600647238.db2.gz AYEMXQKRLUEEPX-IBGZPJMESA-N -1 1 388.489 2.429 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827695419 600659800 /nfs/dbraw/zinc/65/98/00/600659800.db2.gz SOXRFMCXXMIBTH-QFYYESIMSA-N -1 1 385.351 2.189 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(CN3CCCC3=O)c2)cs1 ZINC000614786448 600674468 /nfs/dbraw/zinc/67/44/68/600674468.db2.gz VJOMLXIITHSJCM-UHFFFAOYSA-N -1 1 380.447 2.370 20 0 GEADMM CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)CC1 ZINC000299593972 600676172 /nfs/dbraw/zinc/67/61/72/600676172.db2.gz LLGYOFQTQJMWBP-UHFFFAOYSA-N -1 1 391.449 2.386 20 0 GEADMM Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000299540124 600677684 /nfs/dbraw/zinc/67/76/84/600677684.db2.gz ASXWOFLMIZPPIU-UHFFFAOYSA-N -1 1 391.449 2.495 20 0 GEADMM CCCn1cc(NS(=O)(=O)c2cc(/C=C\C(=O)[O-])cc(OC)c2OC)cn1 ZINC000829585105 600686830 /nfs/dbraw/zinc/68/68/30/600686830.db2.gz HZCGNQMTDGMGJL-WAYWQWQTSA-N -1 1 395.437 2.209 20 0 GEADMM C[C@H](O)CN1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000736677547 600707219 /nfs/dbraw/zinc/70/72/19/600707219.db2.gz NDHVUQXTCVTDMN-NSHDSACASA-N -1 1 394.269 2.198 20 0 GEADMM COC(=O)c1sc(N)c(C(=O)[O-])c1COC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000737716592 600735915 /nfs/dbraw/zinc/73/59/15/600735915.db2.gz CAJCCGLOSKJVBL-CYBMUJFWSA-N -1 1 398.481 2.369 20 0 GEADMM CC1(C)CN(C2(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)CCCCC2)CCO1 ZINC000263197639 600748669 /nfs/dbraw/zinc/74/86/69/600748669.db2.gz HBQQVVNRSRPORV-INIZCTEOSA-N -1 1 381.517 2.306 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)cs1 ZINC000390436713 600749351 /nfs/dbraw/zinc/74/93/51/600749351.db2.gz SMMGHXMRANUBCV-CQSZACIVSA-N -1 1 380.491 2.389 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000737682492 600784284 /nfs/dbraw/zinc/78/42/84/600784284.db2.gz NJFOMQSOMZELII-UHFFFAOYSA-N -1 1 389.307 2.390 20 0 GEADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000830857046 600786134 /nfs/dbraw/zinc/78/61/34/600786134.db2.gz RIRWRNVJIGYYMC-AWEZNQCLSA-N -1 1 380.491 2.341 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000608559520 600791266 /nfs/dbraw/zinc/79/12/66/600791266.db2.gz HRRJJEFELMEBCY-UHFFFAOYSA-N -1 1 384.436 2.183 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000298289376 600809983 /nfs/dbraw/zinc/80/99/83/600809983.db2.gz DHOCPJSBHBANNE-AWEZNQCLSA-N -1 1 380.422 2.082 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@H](C)C(=O)Nc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826341620 607470527 /nfs/dbraw/zinc/47/05/27/607470527.db2.gz MDWZCPRKYDGAGO-JTQLQIEISA-N -1 1 395.423 2.110 20 0 GEADMM C[C@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)C1 ZINC000828290042 600829360 /nfs/dbraw/zinc/82/93/60/600829360.db2.gz QVYSJBTXEGFCFZ-ZDUSSCGKSA-N -1 1 394.449 2.499 20 0 GEADMM Cc1nnc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)[nH]1 ZINC000832991718 600835857 /nfs/dbraw/zinc/83/58/57/600835857.db2.gz ZETBRWXYAQAFMQ-NSHDSACASA-N -1 1 399.270 2.300 20 0 GEADMM Cc1n[nH]c(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)n1 ZINC000832991718 600835858 /nfs/dbraw/zinc/83/58/58/600835858.db2.gz ZETBRWXYAQAFMQ-NSHDSACASA-N -1 1 399.270 2.300 20 0 GEADMM CC(C)[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262669752 600842229 /nfs/dbraw/zinc/84/22/29/600842229.db2.gz OYGQSGWUQJWCCM-JXFKEZNVSA-N -1 1 390.480 2.458 20 0 GEADMM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc(NS(C)(=O)=O)c1OC ZINC000831877625 600846039 /nfs/dbraw/zinc/84/60/39/600846039.db2.gz IXRGFPSHTAOWIF-UHFFFAOYSA-N -1 1 394.405 2.026 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)[nH]c2c1 ZINC000832959252 600863751 /nfs/dbraw/zinc/86/37/51/600863751.db2.gz TXAWZWDEENBURJ-UHFFFAOYSA-N -1 1 394.431 2.488 20 0 GEADMM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000833134510 600865998 /nfs/dbraw/zinc/86/59/98/600865998.db2.gz QRLCVNSCICUHAT-OAHLLOKOSA-N -1 1 387.461 2.338 20 0 GEADMM 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600979085 /nfs/dbraw/zinc/97/90/85/600979085.db2.gz IWPRQDRMQGCGKP-QWRGUYRKSA-N -1 1 397.478 2.256 20 0 GEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738873303 601026390 /nfs/dbraw/zinc/02/63/90/601026390.db2.gz SKBOOENQXDXACL-UHFFFAOYSA-N -1 1 386.383 2.241 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2(C1)CCOCC2 ZINC000831371349 601051328 /nfs/dbraw/zinc/05/13/28/601051328.db2.gz WAIOKBVHPKXRFS-CYBMUJFWSA-N -1 1 390.436 2.001 20 0 GEADMM COc1cc(C(=O)[O-])cc(NC(=O)N2CCN(C3CCCC3)CC2)c1OC ZINC000831897700 601081209 /nfs/dbraw/zinc/08/12/09/601081209.db2.gz WDPPGRKJLIWGJV-UHFFFAOYSA-N -1 1 377.441 2.494 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1 ZINC000630223453 601086072 /nfs/dbraw/zinc/08/60/72/601086072.db2.gz JDTQYOFXZDRKIK-AWEZNQCLSA-N -1 1 389.477 2.343 20 0 GEADMM O=C([O-])c1ccsc1N1CC[C@H](OC(=O)c2[nH]nc3c2CCCC3)C1=O ZINC000833339310 601101495 /nfs/dbraw/zinc/10/14/95/601101495.db2.gz VXTJEQKWFXJLTM-LBPRGKRZSA-N -1 1 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CC(C)(CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCCCC1 ZINC000826611483 601230260 /nfs/dbraw/zinc/23/02/60/601230260.db2.gz IGAGLSSSNHJZME-UHFFFAOYSA-N -1 1 376.425 2.206 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)c(Cl)cc1Cl ZINC000761288627 601240723 /nfs/dbraw/zinc/24/07/23/601240723.db2.gz BSMGFTHUKGJALH-SNVBAGLBSA-N -1 1 393.292 2.454 20 0 GEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000832231592 601273628 /nfs/dbraw/zinc/27/36/28/601273628.db2.gz WWZWGJPESKALJT-JTQLQIEISA-N -1 1 385.492 2.260 20 0 GEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@]2(CCCOC2)C1 ZINC000833106821 601308300 /nfs/dbraw/zinc/30/83/00/601308300.db2.gz WVGRNZAYUAHBRE-DENIHFKCSA-N -1 1 399.491 2.172 20 0 GEADMM O=C([O-])[C@H](CNC(=O)Nc1cnn(-c2ccncc2)c1)Cc1cccc(F)c1 ZINC000833135649 601313858 /nfs/dbraw/zinc/31/38/58/601313858.db2.gz SXLHGYLCYJPVBC-AWEZNQCLSA-N -1 1 383.383 2.471 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)c1C ZINC000515628633 601324591 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O=C([O-])CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)C1CC1 ZINC000833247812 601464053 /nfs/dbraw/zinc/46/40/53/601464053.db2.gz VDLLOCGQGIKICN-KRWDZBQOSA-N -1 1 379.888 2.142 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000827950955 601469619 /nfs/dbraw/zinc/46/96/19/601469619.db2.gz UHUYAOVDIIOPEJ-CRAIPNDOSA-N -1 1 395.459 2.204 20 0 GEADMM COC[C@@](C)(CC(=O)[O-])NCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000831578909 601488886 /nfs/dbraw/zinc/48/88/86/601488886.db2.gz SKHFIKPUJRGDBS-CQSZACIVSA-N -1 1 384.281 2.237 20 0 GEADMM CCC1CCC(NCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)(C(=O)[O-])CC1 ZINC000829101353 601495824 /nfs/dbraw/zinc/49/58/24/601495824.db2.gz OKUJHWQKPFHRMZ-UHFFFAOYSA-N -1 1 391.424 2.077 20 0 GEADMM Cc1cc(C(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1NC(=O)c1ccccc1 ZINC000832860196 601508454 /nfs/dbraw/zinc/50/84/54/601508454.db2.gz ZZDDLRPBYJYGGZ-ACJLOTCBSA-N -1 1 383.448 2.324 20 0 GEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000830608991 601524611 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CCCc1nc([C@H]2CN(C(=O)Nc3ccc(C(=O)[O-])cc3F)CCO2)n[nH]1 ZINC000820330594 601791997 /nfs/dbraw/zinc/79/19/97/601791997.db2.gz ZDWYWGSEMVHLRJ-CYBMUJFWSA-N -1 1 377.376 2.200 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3ccc(C(=O)[O-])cc3F)CCO2)n1 ZINC000820330594 601791998 /nfs/dbraw/zinc/79/19/98/601791998.db2.gz ZDWYWGSEMVHLRJ-CYBMUJFWSA-N -1 1 377.376 2.200 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)CC1 ZINC000827375121 601797956 /nfs/dbraw/zinc/79/79/56/601797956.db2.gz QPTBHYLVMFURDU-CYBMUJFWSA-N -1 1 375.404 2.024 20 0 GEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000063877235 601832185 /nfs/dbraw/zinc/83/21/85/601832185.db2.gz JDQRHVJGWFBQSM-UHFFFAOYSA-N -1 1 386.788 2.338 20 0 GEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000833318012 601856296 /nfs/dbraw/zinc/85/62/96/601856296.db2.gz CRPDMVJCHRJKAF-LBPRGKRZSA-N -1 1 381.381 2.492 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000828029315 601886036 /nfs/dbraw/zinc/88/60/36/601886036.db2.gz YKASVHNYXZMSHI-IRXDYDNUSA-N -1 1 399.369 2.227 20 0 GEADMM CN(Cc1ccc(OCC(N)=O)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830839943 601903206 /nfs/dbraw/zinc/90/32/06/601903206.db2.gz GBLBXPIMNIMRED-KRWDZBQOSA-N -1 1 382.338 2.226 20 0 GEADMM O=C(CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-])NCCOc1ccccc1 ZINC000740368769 601930044 /nfs/dbraw/zinc/93/00/44/601930044.db2.gz LJGQPFRSTPUGQE-ROUUACIJSA-N -1 1 375.469 2.179 20 0 GEADMM O=C(CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000740367849 601930081 /nfs/dbraw/zinc/93/00/81/601930081.db2.gz GVUHHKBNHQEGJR-HZPDHXFCSA-N -1 1 389.452 2.028 20 0 GEADMM COc1cc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc(OC)c1 ZINC000739869588 601934746 /nfs/dbraw/zinc/93/47/46/601934746.db2.gz ZAUJKOCBKBVSRR-UHFFFAOYSA-N -1 1 377.441 2.249 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000739526660 601946041 /nfs/dbraw/zinc/94/60/41/601946041.db2.gz CJYZTGAYOUCTLZ-BBRMVZONSA-N -1 1 380.464 2.191 20 0 GEADMM COC(=O)c1sc(NC(=O)CN(C)CCC2CCOCC2)c(C(=O)[O-])c1C ZINC000831475244 601966570 /nfs/dbraw/zinc/96/65/70/601966570.db2.gz ISYQSDDITZGXHM-UHFFFAOYSA-N -1 1 398.481 2.228 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828168710 601969116 /nfs/dbraw/zinc/96/91/16/601969116.db2.gz QBEVRYUGXHOXPY-KDOFPFPSSA-N -1 1 396.447 2.494 20 0 GEADMM COc1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1F ZINC000832353256 601977523 /nfs/dbraw/zinc/97/75/23/601977523.db2.gz VODUIMFUQSEDSN-UHFFFAOYSA-N -1 1 381.425 2.124 20 0 GEADMM C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000738995715 602030822 /nfs/dbraw/zinc/03/08/22/602030822.db2.gz VYSMIIKLHKEHFO-CQSZACIVSA-N -1 1 376.457 2.486 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000830620547 602045209 /nfs/dbraw/zinc/04/52/09/602045209.db2.gz VKEBKIOOWCDKNS-JKSUJKDBSA-N -1 1 390.484 2.392 20 0 GEADMM C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738980051 602053170 /nfs/dbraw/zinc/05/31/70/602053170.db2.gz NKYSAUKJFNSOHB-HRCADAONSA-N -1 1 378.473 2.494 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)N2CCCC2)c1 ZINC000832532434 602055466 /nfs/dbraw/zinc/05/54/66/602055466.db2.gz AGLBPPTVFLWWPX-YLJYHZDGSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)N1CCCC1 ZINC000832597450 602055668 /nfs/dbraw/zinc/05/56/68/602055668.db2.gz YGRKITRWXZQLMI-UZLBHIALSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)N2CCCC2)cc1 ZINC000739892576 602057858 /nfs/dbraw/zinc/05/78/58/602057858.db2.gz HPJAZNLUUFQTHU-YJBOKZPZSA-N -1 1 390.484 2.131 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)Cc2ccc(NC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000739736471 602103077 /nfs/dbraw/zinc/10/30/77/602103077.db2.gz DKNQGVYXQNMBMS-HXUWFJFHSA-N -1 1 396.491 2.424 20 0 GEADMM C[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738973932 602103399 /nfs/dbraw/zinc/10/33/99/602103399.db2.gz GCLWHAIDBXGMMW-WBVHZDCISA-N -1 1 389.500 2.124 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000738619914 602118531 /nfs/dbraw/zinc/11/85/31/602118531.db2.gz GBOWUVMEIRLOTN-IBGZPJMESA-N -1 1 395.459 2.033 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167405 602136345 /nfs/dbraw/zinc/13/63/45/602136345.db2.gz GKTHESJBXDEWHZ-HNAYVOBHSA-N -1 1 395.459 2.031 20 0 GEADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832034519 602203708 /nfs/dbraw/zinc/20/37/08/602203708.db2.gz WWEWDHOXRNYQMB-UHFFFAOYSA-N -1 1 385.369 2.351 20 0 GEADMM FC(F)(F)c1cccnc1-n1ccc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000826368860 607552268 /nfs/dbraw/zinc/55/22/68/607552268.db2.gz DANGQOVIIWQRTE-UHFFFAOYSA-N -1 1 387.329 2.473 20 0 GEADMM FC(F)(F)c1cccnc1-n1ccc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826368860 607552269 /nfs/dbraw/zinc/55/22/69/607552269.db2.gz DANGQOVIIWQRTE-UHFFFAOYSA-N -1 1 387.329 2.473 20 0 GEADMM COC(=O)c1c(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)sc2c1CCCC2 ZINC000831230912 602226976 /nfs/dbraw/zinc/22/69/76/602226976.db2.gz QQEQKKSDFIHUAE-CQSZACIVSA-N -1 1 382.482 2.441 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc2)C[C@H](C)O1 ZINC000828495826 602227591 /nfs/dbraw/zinc/22/75/91/602227591.db2.gz ZBWDLIYRAJNLTG-QWQRMKEZSA-N -1 1 377.485 2.328 20 0 GEADMM CS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)cc(C(=O)[O-])c1 ZINC000532612971 602253356 /nfs/dbraw/zinc/25/33/56/602253356.db2.gz SESKYNLIFIIBOU-UHFFFAOYSA-N -1 1 375.362 2.024 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])cc1F ZINC000739909814 602264794 /nfs/dbraw/zinc/26/47/94/602264794.db2.gz RREXHQJFSIWFSJ-CJNGLKHVSA-N -1 1 381.448 2.303 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C[C@@H](C)O1 ZINC000739182433 602278952 /nfs/dbraw/zinc/27/89/52/602278952.db2.gz NZRQXFFIYXDWOW-ZIAGYGMSSA-N -1 1 376.457 2.348 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])N1CCCC1 ZINC000739964130 602341715 /nfs/dbraw/zinc/34/17/15/602341715.db2.gz PREOVQMRAQGFAG-HUUCEWRRSA-N -1 1 379.482 2.001 20 0 GEADMM O=C([O-])C1CCN(C(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000833190032 602346322 /nfs/dbraw/zinc/34/63/22/602346322.db2.gz IAYDYVNXQCNHNR-IRXDYDNUSA-N -1 1 378.469 2.271 20 0 GEADMM CN(CC1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)CC1)C(=O)[O-] ZINC000739665726 602381499 /nfs/dbraw/zinc/38/14/99/602381499.db2.gz OYZNHCYGVIXJLV-UHFFFAOYSA-N -1 1 384.498 2.181 20 0 GEADMM CCCc1nc([C@H]2CN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CCO2)n[nH]1 ZINC000829571832 602390772 /nfs/dbraw/zinc/39/07/72/602390772.db2.gz XGSRKKSJTRVTQH-CYBMUJFWSA-N -1 1 377.376 2.200 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CCO2)n1 ZINC000829571832 602390774 /nfs/dbraw/zinc/39/07/74/602390774.db2.gz XGSRKKSJTRVTQH-CYBMUJFWSA-N -1 1 377.376 2.200 20 0 GEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738950280 602398678 /nfs/dbraw/zinc/39/86/78/602398678.db2.gz 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C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739186018 602499007 /nfs/dbraw/zinc/49/90/07/602499007.db2.gz CPMADVYNSIWUTH-FCEWJHQRSA-N -1 1 389.496 2.445 20 0 GEADMM C[C@](CNC(=O)[O-])(NC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000738924073 602505762 /nfs/dbraw/zinc/50/57/62/602505762.db2.gz HYIJWQFXKRPFQP-OAHLLOKOSA-N -1 1 381.230 2.492 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738630014 602530499 /nfs/dbraw/zinc/53/04/99/602530499.db2.gz IXFBRNUMNZKUIG-CABCVRRESA-N -1 1 388.468 2.072 20 0 GEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738630117 602530623 /nfs/dbraw/zinc/53/06/23/602530623.db2.gz JMTZBOGLZIEUDS-HUUCEWRRSA-N -1 1 388.468 2.072 20 0 GEADMM O=C([O-])N[C@@H](CCC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccccc1 ZINC000740541550 602569534 /nfs/dbraw/zinc/56/95/34/602569534.db2.gz ZTHXVJAAKQLUHF-DOTOQJQBSA-N -1 1 380.408 2.194 20 0 GEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000738808518 602573476 /nfs/dbraw/zinc/57/34/76/602573476.db2.gz WKQKPWIVZDPOIR-HNNXBMFYSA-N -1 1 377.489 2.242 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739023784 602593238 /nfs/dbraw/zinc/59/32/38/602593238.db2.gz DULFXOYSCTZGSR-NSHDSACASA-N -1 1 381.392 2.088 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000739961619 602611320 /nfs/dbraw/zinc/61/13/20/602611320.db2.gz IFQBBVKNEVIMSP-NVXWUHKLSA-N -1 1 390.484 2.274 20 0 GEADMM COc1ccc([C@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N2CCCC2)cc1 ZINC000739895445 602611474 /nfs/dbraw/zinc/61/14/74/602611474.db2.gz JUPXXJAURUVBJH-PBHICJAKSA-N -1 1 378.473 2.130 20 0 GEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739188477 602615213 /nfs/dbraw/zinc/61/52/13/602615213.db2.gz YDRYCDFLURTXJW-HRCADAONSA-N -1 1 392.500 2.093 20 0 GEADMM CC[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825122140 607578366 /nfs/dbraw/zinc/57/83/66/607578366.db2.gz XGSDIRFVFZUAEG-GFCCVEGCSA-N -1 1 375.429 2.478 20 0 GEADMM C[C@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738979119 602668770 /nfs/dbraw/zinc/66/87/70/602668770.db2.gz MOLQDBRIKCODDB-WCQYABFASA-N -1 1 390.419 2.189 20 0 GEADMM C[C@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738979119 602668772 /nfs/dbraw/zinc/66/87/72/602668772.db2.gz MOLQDBRIKCODDB-WCQYABFASA-N -1 1 390.419 2.189 20 0 GEADMM O=S(=O)(NCC1(c2ccccc2)CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490098 607582934 /nfs/dbraw/zinc/58/29/34/607582934.db2.gz JRVUUFAQPVVHRE-UHFFFAOYSA-N -1 1 387.440 2.406 20 0 GEADMM O=S(=O)(NCC1(c2ccccc2)CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490098 607582935 /nfs/dbraw/zinc/58/29/35/607582935.db2.gz JRVUUFAQPVVHRE-UHFFFAOYSA-N -1 1 387.440 2.406 20 0 GEADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739441501 602765271 /nfs/dbraw/zinc/76/52/71/602765271.db2.gz NLUDFFLDDLKQTR-HOCLYGCPSA-N -1 1 393.484 2.030 20 0 GEADMM O=S(=O)(NC[C@@H]1CCCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490554 607584785 /nfs/dbraw/zinc/58/47/85/607584785.db2.gz YZDZDLILJHDDAA-ZDUSSCGKSA-N -1 1 387.440 2.404 20 0 GEADMM O=S(=O)(NC[C@@H]1CCCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490554 607584787 /nfs/dbraw/zinc/58/47/87/607584787.db2.gz YZDZDLILJHDDAA-ZDUSSCGKSA-N -1 1 387.440 2.404 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1F ZINC000739903189 602776739 /nfs/dbraw/zinc/77/67/39/602776739.db2.gz JOZIJHQWLFWSSM-WWGRRREGSA-N -1 1 381.448 2.159 20 0 GEADMM CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(NC(=O)[O-])nc3)cc21 ZINC000738525472 602779234 /nfs/dbraw/zinc/77/92/34/602779234.db2.gz VNWKUCYEZKAXRC-UHFFFAOYSA-N -1 1 390.421 2.271 20 0 GEADMM C[C@H](CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)NC(=O)[O-] ZINC000824704270 602796890 /nfs/dbraw/zinc/79/68/90/602796890.db2.gz ZMIRZBJKBBJFNH-CQSZACIVSA-N -1 1 376.457 2.486 20 0 GEADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)on1 ZINC000826265697 607588758 /nfs/dbraw/zinc/58/87/58/607588758.db2.gz JOBPWGGYPAIHJD-LBPRGKRZSA-N -1 1 394.844 2.342 20 0 GEADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)on1 ZINC000826265696 607588989 /nfs/dbraw/zinc/58/89/89/607588989.db2.gz JOBPWGGYPAIHJD-GFCCVEGCSA-N -1 1 394.844 2.342 20 0 GEADMM Cc1cc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)n(C(C)(C)C)n1 ZINC000740084498 602863924 /nfs/dbraw/zinc/86/39/24/602863924.db2.gz PBDCZUWTNLORDX-UHFFFAOYSA-N -1 1 377.489 2.492 20 0 GEADMM CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3NC(=O)[O-])cc21 ZINC000738527459 602868580 /nfs/dbraw/zinc/86/85/80/602868580.db2.gz VUIRCRQWSWNFQC-UHFFFAOYSA-N -1 1 375.406 2.486 20 0 GEADMM C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000824901041 607591447 /nfs/dbraw/zinc/59/14/47/607591447.db2.gz XGHUDLLOGGJNMS-GXSJLCMTSA-N -1 1 377.401 2.201 20 0 GEADMM C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000824901041 607591449 /nfs/dbraw/zinc/59/14/49/607591449.db2.gz XGHUDLLOGGJNMS-GXSJLCMTSA-N -1 1 377.401 2.201 20 0 GEADMM Cc1ccccc1C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826307137 607592586 /nfs/dbraw/zinc/59/25/86/607592586.db2.gz XKILAECUBFKNQK-GFCCVEGCSA-N -1 1 375.429 2.224 20 0 GEADMM CC(C)Oc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824334636 607593439 /nfs/dbraw/zinc/59/34/39/607593439.db2.gz ZSSUPEHXGQOCAW-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM CC(C)Oc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824334636 607593441 /nfs/dbraw/zinc/59/34/41/607593441.db2.gz ZSSUPEHXGQOCAW-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM CC(C)N(Cc1ccccn1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824297157 607593646 /nfs/dbraw/zinc/59/36/46/607593646.db2.gz QYINBEHRMWZLPQ-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM CCOc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825639475 607598907 /nfs/dbraw/zinc/59/89/07/607598907.db2.gz XEAUKRLLRTXBOQ-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM CCOc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825639475 607598908 /nfs/dbraw/zinc/59/89/08/607598908.db2.gz XEAUKRLLRTXBOQ-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM O=C(CCC(=O)c1ccc2c(c1)CCC2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826405132 607599687 /nfs/dbraw/zinc/59/96/87/607599687.db2.gz WOPAGAZSDBAEKK-UHFFFAOYSA-N -1 1 377.404 2.457 20 0 GEADMM O=C(CCC(=O)c1ccc2c(c1)CCC2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826405132 607599688 /nfs/dbraw/zinc/59/96/88/607599688.db2.gz WOPAGAZSDBAEKK-UHFFFAOYSA-N -1 1 377.404 2.457 20 0 GEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000739199908 603001407 /nfs/dbraw/zinc/00/14/07/603001407.db2.gz SXHQODSEDBLIDC-FUHWJXTLSA-N -1 1 389.500 2.220 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)CC(C)(C)NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739185220 603020580 /nfs/dbraw/zinc/02/05/80/603020580.db2.gz OFOPOJJXPRLLFK-GJZGRUSLSA-N -1 1 377.485 2.348 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])CC2)c1 ZINC000740168799 603021037 /nfs/dbraw/zinc/02/10/37/603021037.db2.gz HDVMOBGKKWAZPW-MOPGFXCFSA-N -1 1 388.512 2.060 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cc2)n1 ZINC000740681595 603059706 /nfs/dbraw/zinc/05/97/06/603059706.db2.gz PKHQJFCQTAJTNA-AWEZNQCLSA-N -1 1 393.403 2.429 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cc2)n[nH]1 ZINC000740681595 603059707 /nfs/dbraw/zinc/05/97/07/603059707.db2.gz PKHQJFCQTAJTNA-AWEZNQCLSA-N -1 1 393.403 2.429 20 0 GEADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739063912 603066346 /nfs/dbraw/zinc/06/63/46/603066346.db2.gz OHQYUHVEJCEOEH-ZBFHGGJFSA-N -1 1 386.452 2.498 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000827622067 603075590 /nfs/dbraw/zinc/07/55/90/603075590.db2.gz XJZBDHBESAHOOR-GFCCVEGCSA-N -1 1 379.804 2.324 20 0 GEADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H](NC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000823865853 603078428 /nfs/dbraw/zinc/07/84/28/603078428.db2.gz YMQJEHVGTHNIQD-KBPBESRZSA-N -1 1 387.440 2.011 20 0 GEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000823865853 603078433 /nfs/dbraw/zinc/07/84/33/603078433.db2.gz YMQJEHVGTHNIQD-KBPBESRZSA-N -1 1 387.440 2.011 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000824029868 607606131 /nfs/dbraw/zinc/60/61/31/607606131.db2.gz SADMHSBIZANHAY-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825127822 607606404 /nfs/dbraw/zinc/60/64/04/607606404.db2.gz OOVCTMNOVGYZLN-ZDUSSCGKSA-N -1 1 375.429 2.305 20 0 GEADMM CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825127822 607606406 /nfs/dbraw/zinc/60/64/06/607606406.db2.gz OOVCTMNOVGYZLN-ZDUSSCGKSA-N -1 1 375.429 2.305 20 0 GEADMM Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826294262 607606966 /nfs/dbraw/zinc/60/69/66/607606966.db2.gz MWJBIDNQUAMLAB-ZDUSSCGKSA-N -1 1 389.412 2.035 20 0 GEADMM Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826294262 607606968 /nfs/dbraw/zinc/60/69/68/607606968.db2.gz MWJBIDNQUAMLAB-ZDUSSCGKSA-N -1 1 389.412 2.035 20 0 GEADMM O=C([O-])NC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)Cc2ccccc2C1 ZINC000740536537 603106016 /nfs/dbraw/zinc/10/60/16/603106016.db2.gz NLFZRLYEWAXNRK-IBGZPJMESA-N -1 1 379.460 2.182 20 0 GEADMM COCc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826164918 607615351 /nfs/dbraw/zinc/61/53/51/607615351.db2.gz WZIDCJKQRVTQNC-UHFFFAOYSA-N -1 1 380.813 2.434 20 0 GEADMM O=S(=O)(NCCc1ccc(F)cc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491670 607616160 /nfs/dbraw/zinc/61/61/60/607616160.db2.gz UWXYKDOLCCKETC-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=S(=O)(NCCc1ccc(F)cc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491670 607616162 /nfs/dbraw/zinc/61/61/62/607616162.db2.gz UWXYKDOLCCKETC-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=C([O-])N1CC[C@H](C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)C1 ZINC000740368733 603237759 /nfs/dbraw/zinc/23/77/59/603237759.db2.gz JYTVGQQMSAPTNZ-HNNXBMFYSA-N -1 1 388.468 2.440 20 0 GEADMM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487941 607617240 /nfs/dbraw/zinc/61/72/40/607617240.db2.gz DZCNVSAEZTZRMH-RNCFNFMXSA-N -1 1 395.366 2.118 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])CC1 ZINC000827226919 603259867 /nfs/dbraw/zinc/25/98/67/603259867.db2.gz BGQJWGZEAVYIDC-MRXNPFEDSA-N -1 1 389.500 2.435 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739962102 603283279 /nfs/dbraw/zinc/28/32/79/603283279.db2.gz UOVWITLQVZIAAU-WBVHZDCISA-N -1 1 375.469 2.338 20 0 GEADMM CSCC[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826228140 607619561 /nfs/dbraw/zinc/61/95/61/607619561.db2.gz GDHUJRFLKIJFCA-SECBINFHSA-N -1 1 375.907 2.282 20 0 GEADMM CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c2ccccc21 ZINC000826038790 607619749 /nfs/dbraw/zinc/61/97/49/607619749.db2.gz XPWZZPOQAFJRDI-UHFFFAOYSA-N -1 1 390.856 2.165 20 0 GEADMM CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c2ccccc21 ZINC000826038790 607619751 /nfs/dbraw/zinc/61/97/51/607619751.db2.gz XPWZZPOQAFJRDI-UHFFFAOYSA-N -1 1 390.856 2.165 20 0 GEADMM Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826338661 607621871 /nfs/dbraw/zinc/62/18/71/607621871.db2.gz CUTSKJQDHBWEQX-MRVPVSSYSA-N -1 1 396.860 2.034 20 0 GEADMM Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826338661 607621873 /nfs/dbraw/zinc/62/18/73/607621873.db2.gz CUTSKJQDHBWEQX-MRVPVSSYSA-N -1 1 396.860 2.034 20 0 GEADMM O=C([O-])N1CC[C@@H](CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 ZINC000740502123 603330139 /nfs/dbraw/zinc/33/01/39/603330139.db2.gz DPJZQTKFBUBAFF-AWEZNQCLSA-N -1 1 377.876 2.105 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000825427106 603373614 /nfs/dbraw/zinc/37/36/14/603373614.db2.gz OXLCXBSPLKDBGT-RRQGHBQHSA-N -1 1 376.457 2.078 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cc1 ZINC000825433283 603382775 /nfs/dbraw/zinc/38/27/75/603382775.db2.gz AGCVQENCFFSCRE-AWEZNQCLSA-N -1 1 377.489 2.163 20 0 GEADMM O=C([O-])NCCCn1ccc2cc(C(=O)N3CCN(CC4CC4)CC3)ccc21 ZINC000832636236 603529874 /nfs/dbraw/zinc/52/98/74/603529874.db2.gz PXZJBNNAYZTXME-UHFFFAOYSA-N -1 1 384.480 2.467 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)n[nH]2)cc1OC ZINC000829234793 603541921 /nfs/dbraw/zinc/54/19/21/603541921.db2.gz UVFNXBFKYMMSCH-WCQYABFASA-N -1 1 388.424 2.212 20 0 GEADMM CCN(CC1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1)C(=O)[O-] ZINC000827094300 603543460 /nfs/dbraw/zinc/54/34/60/603543460.db2.gz YTEFNHJJSALGAI-CQSZACIVSA-N -1 1 379.423 2.499 20 0 GEADMM CC(=O)N1CCN(c2ccccc2CNCc2ccc(NC(=O)[O-])nc2)CC1 ZINC000823561216 603545401 /nfs/dbraw/zinc/54/54/01/603545401.db2.gz KJWFSTMSUBKYDQ-UHFFFAOYSA-N -1 1 383.452 2.130 20 0 GEADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828624217 603548450 /nfs/dbraw/zinc/54/84/50/603548450.db2.gz LTWKNMZBWHLZRL-OYSTVDSJSA-N -1 1 390.480 2.032 20 0 GEADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000825426537 603557793 /nfs/dbraw/zinc/55/77/93/603557793.db2.gz GFLBYKXPXKDEMO-CQSZACIVSA-N -1 1 376.457 2.344 20 0 GEADMM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCCC3(C1)CCCCCC3)C2=O ZINC000831973766 603606579 /nfs/dbraw/zinc/60/65/79/603606579.db2.gz CZIDGNIDTFQVKQ-UHFFFAOYSA-N -1 1 392.500 2.445 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])c2C1 ZINC000824071384 603616014 /nfs/dbraw/zinc/61/60/14/603616014.db2.gz KDUPRXLGOZVDRO-ZDUSSCGKSA-N -1 1 390.484 2.148 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C(C)(C)CNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000826057723 603630304 /nfs/dbraw/zinc/63/03/04/603630304.db2.gz KGPYBDNGJYIUTD-GASCZTMLSA-N -1 1 377.485 2.206 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823722857 603630500 /nfs/dbraw/zinc/63/05/00/603630500.db2.gz IAQVFDLJSSSUBH-AWEZNQCLSA-N -1 1 390.484 2.366 20 0 GEADMM Cc1cccc([C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826296286 607644295 /nfs/dbraw/zinc/64/42/95/607644295.db2.gz QCSIRVJWWSNUAV-LBPRGKRZSA-N -1 1 375.429 2.396 20 0 GEADMM Cc1cccc([C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826296286 607644296 /nfs/dbraw/zinc/64/42/96/607644296.db2.gz QCSIRVJWWSNUAV-LBPRGKRZSA-N -1 1 375.429 2.396 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Cc1cccs1 ZINC000824429454 607646164 /nfs/dbraw/zinc/64/61/64/607646164.db2.gz XGGMYHUFKZTWNI-SNVBAGLBSA-N -1 1 381.458 2.224 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000832506554 603700150 /nfs/dbraw/zinc/70/01/50/603700150.db2.gz QSALYEZKIGPEQO-CRAIPNDOSA-N -1 1 389.500 2.172 20 0 GEADMM C[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)[C@@H]1CNC(=O)[O-] ZINC000825919618 603708880 /nfs/dbraw/zinc/70/88/80/603708880.db2.gz PNRYJFIVKDWUDF-AUUYWEPGSA-N -1 1 384.480 2.421 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262592 603742352 /nfs/dbraw/zinc/74/23/52/603742352.db2.gz UUHHBHLCAUMTGI-OAGGEKHMSA-N -1 1 378.473 2.460 20 0 GEADMM CCc1cnc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000825735296 607653263 /nfs/dbraw/zinc/65/32/63/607653263.db2.gz OYLBPIITWJLACA-UHFFFAOYSA-N -1 1 398.901 2.060 20 0 GEADMM CCc1cnc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000825735296 607653265 /nfs/dbraw/zinc/65/32/65/607653265.db2.gz OYLBPIITWJLACA-UHFFFAOYSA-N -1 1 398.901 2.060 20 0 GEADMM Cc1cccc(F)c1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826298279 607651075 /nfs/dbraw/zinc/65/10/75/607651075.db2.gz LOEUKODPTAYXPV-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM Cc1ccc(CC[C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000826287132 607651102 /nfs/dbraw/zinc/65/11/02/607651102.db2.gz DPYQJOGNQVPPGB-JTQLQIEISA-N -1 1 379.417 2.207 20 0 GEADMM O=C1CCCc2c(OS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)cccc21 ZINC000826480789 607651521 /nfs/dbraw/zinc/65/15/21/607651521.db2.gz QQVKJHAYDIYPPB-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM O=C1CCCc2c(OS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)cccc21 ZINC000826480789 607651522 /nfs/dbraw/zinc/65/15/22/607651522.db2.gz QQVKJHAYDIYPPB-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2cccc3c2CCCC3=O)c1-c1nn[n-]n1 ZINC000826304476 607651698 /nfs/dbraw/zinc/65/16/98/607651698.db2.gz MDKZZEABSIEZBH-UHFFFAOYSA-N -1 1 384.417 2.462 20 0 GEADMM CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(F)c1 ZINC000827996343 603888133 /nfs/dbraw/zinc/88/81/33/603888133.db2.gz XNFYPNOTZATBLQ-HMQMGEFJSA-N -1 1 378.448 2.401 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)NCC(C)(C)NC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000826059323 603959149 /nfs/dbraw/zinc/95/91/49/603959149.db2.gz SZHIXRULFHTTIH-HUUCEWRRSA-N -1 1 392.500 2.141 20 0 GEADMM CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825669027 607662647 /nfs/dbraw/zinc/66/26/47/607662647.db2.gz OMLBWYWFWVTWTL-GHMZBOCLSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825669027 607662649 /nfs/dbraw/zinc/66/26/49/607662649.db2.gz OMLBWYWFWVTWTL-GHMZBOCLSA-N -1 1 385.490 2.348 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2cccc3c2CCN3C(=O)[O-])C[C@H](C)O1 ZINC000826057979 603973903 /nfs/dbraw/zinc/97/39/03/603973903.db2.gz LRKNLDACUNYTSH-KBPBESRZSA-N -1 1 376.457 2.348 20 0 GEADMM CC(=O)Nc1ccc2c(CN3CC[C@H]4CC[C@@H](C3)N4C(=O)[O-])cc(=O)oc2c1 ZINC000823610621 603976283 /nfs/dbraw/zinc/97/62/83/603976283.db2.gz DPCBVVPGRKQRHC-CVEARBPZSA-N -1 1 385.420 2.468 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000824256536 603978186 /nfs/dbraw/zinc/97/81/86/603978186.db2.gz DVCKAAFWJNXGPW-CQSZACIVSA-N -1 1 376.457 2.205 20 0 GEADMM Cc1cc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)n(-c2ccc(F)cc2)n1 ZINC000830103216 603986891 /nfs/dbraw/zinc/98/68/91/603986891.db2.gz FZRJGPAZTKPBID-UHFFFAOYSA-N -1 1 389.431 2.333 20 0 GEADMM COc1cc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)c(OC)cc1Cl ZINC000829154095 603993041 /nfs/dbraw/zinc/99/30/41/603993041.db2.gz VDSIHBNQRCLVNO-UHFFFAOYSA-N -1 1 385.848 2.370 20 0 GEADMM CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccnc1 ZINC000824192981 607664933 /nfs/dbraw/zinc/66/49/33/607664933.db2.gz PSSQNNNHMAMUAM-OAHLLOKOSA-N -1 1 390.444 2.119 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CCCc4n[nH]cc43)cc2)n1 ZINC000832730527 604003416 /nfs/dbraw/zinc/00/34/16/604003416.db2.gz TXELUOYWVCKUDM-GFCCVEGCSA-N -1 1 381.396 2.021 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3CCCc4n[nH]cc43)cc2)n[nH]1 ZINC000832730527 604003421 /nfs/dbraw/zinc/00/34/21/604003421.db2.gz TXELUOYWVCKUDM-GFCCVEGCSA-N -1 1 381.396 2.021 20 0 GEADMM O=C([O-])NCc1cccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000832724481 604003667 /nfs/dbraw/zinc/00/36/67/604003667.db2.gz DDZZBTXSMNVNQZ-UHFFFAOYSA-N -1 1 384.417 2.092 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000827419602 604015019 /nfs/dbraw/zinc/01/50/19/604015019.db2.gz YRNVVRJBSZKZNV-UHFFFAOYSA-N -1 1 390.484 2.166 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824641232 607667056 /nfs/dbraw/zinc/66/70/56/607667056.db2.gz UDGKRBWHAXBEFU-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824641232 607667059 /nfs/dbraw/zinc/66/70/59/607667059.db2.gz UDGKRBWHAXBEFU-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000825220267 604037919 /nfs/dbraw/zinc/03/79/19/604037919.db2.gz SBNJNQHIERZZOG-XHSDSOJGSA-N -1 1 378.473 2.494 20 0 GEADMM CCO[C@@H](C)c1nc(CN2CCN(C[C@@H]3CCN(C(=O)[O-])C3)CC2)cs1 ZINC000827362829 604059133 /nfs/dbraw/zinc/05/91/33/604059133.db2.gz UGGLLXQKYJKRSB-GJZGRUSLSA-N -1 1 382.530 2.358 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CC3(NC(=O)[O-])CCC3)cc2)C[C@@H](C)O1 ZINC000826059619 604091772 /nfs/dbraw/zinc/09/17/72/604091772.db2.gz XQSJNMPJJPGNCX-HZPDHXFCSA-N -1 1 389.496 2.492 20 0 GEADMM O=S(=O)(N[C@@H]1COc2c1cccc2Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489367 607671488 /nfs/dbraw/zinc/67/14/88/607671488.db2.gz NOPODUFEXSWXIP-GFCCVEGCSA-N -1 1 395.803 2.071 20 0 GEADMM C[C@H](C(=O)N1CCCc2ccccc21)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823669099 604101101 /nfs/dbraw/zinc/10/11/01/604101101.db2.gz LCOUVMBWBIFDOH-MRXNPFEDSA-N -1 1 389.496 2.493 20 0 GEADMM C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825100377 604134773 /nfs/dbraw/zinc/13/47/73/604134773.db2.gz CVOFWQOISTVUPA-CQSZACIVSA-N -1 1 392.475 2.335 20 0 GEADMM O=S(=O)(N[C@@H]1COc2ccc(Cl)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489015 607674200 /nfs/dbraw/zinc/67/42/00/607674200.db2.gz FSCVIEYONQEUGH-LLVKDONJSA-N -1 1 395.803 2.071 20 0 GEADMM O=S(=O)(N[C@@H]1COc2ccc(Cl)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489015 607674202 /nfs/dbraw/zinc/67/42/02/607674202.db2.gz FSCVIEYONQEUGH-LLVKDONJSA-N -1 1 395.803 2.071 20 0 GEADMM CN(CCNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000828324489 604144689 /nfs/dbraw/zinc/14/46/89/604144689.db2.gz QTCPVVPOSZKPKZ-MRXNPFEDSA-N -1 1 380.464 2.289 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000826203538 607675073 /nfs/dbraw/zinc/67/50/73/607675073.db2.gz UHFPRTUBEBBOKO-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])N(C)C)c1 ZINC000829543420 604160635 /nfs/dbraw/zinc/16/06/35/604160635.db2.gz KGNPZBPYEBDSFY-RYRKJORJSA-N -1 1 390.484 2.224 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc(Br)nc2)c1-c1nn[n-]n1 ZINC000826304363 607677123 /nfs/dbraw/zinc/67/71/23/607677123.db2.gz IMYZNSQUYMXJNG-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM O=S(=O)(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488025 607678710 /nfs/dbraw/zinc/67/87/10/607678710.db2.gz GVDHWMQKEYFSJP-IAOVAPTHSA-N -1 1 385.424 2.013 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000830526903 604258770 /nfs/dbraw/zinc/25/87/70/604258770.db2.gz DKUDGLPNEATGBN-ULQDDVLXSA-N -1 1 377.485 2.247 20 0 GEADMM COc1ccnc(N2CCN(C(=O)C[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000829649739 604340435 /nfs/dbraw/zinc/34/04/35/604340435.db2.gz KMAQWWFNAHQXAV-HOTGVXAUSA-N -1 1 390.484 2.155 20 0 GEADMM C[C@H]1CCc2c(sc3nc(CCN4CC[C@@H](NC(=O)[O-])C4)nc(N)c32)C1 ZINC000739111604 604431964 /nfs/dbraw/zinc/43/19/64/604431964.db2.gz BBMYZBBEJSJMCS-WDEREUQCSA-N -1 1 375.498 2.283 20 0 GEADMM O=C([O-])C1(NCc2ccc(Cl)cc2Br)CCS(=O)(=O)CC1 ZINC000833175555 604439057 /nfs/dbraw/zinc/43/90/57/604439057.db2.gz IALWCCHKMDMXTL-UHFFFAOYSA-N -1 1 396.690 2.224 20 0 GEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000827017539 604450075 /nfs/dbraw/zinc/45/00/75/604450075.db2.gz YUILUWYBMRCVPI-LBPRGKRZSA-N -1 1 384.230 2.276 20 0 GEADMM CC(C)(C(=O)[O-])[C@H](NC(=O)NCCCCN1CCOCC1)c1ccccc1 ZINC000826095774 604462004 /nfs/dbraw/zinc/46/20/04/604462004.db2.gz NHSCFDRRIGCVTA-QGZVFWFLSA-N -1 1 377.485 2.250 20 0 GEADMM CCc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC000830237112 604471511 /nfs/dbraw/zinc/47/15/11/604471511.db2.gz HHSLQSLNLLXZOE-HNNXBMFYSA-N -1 1 389.477 2.366 20 0 GEADMM O=C([O-])c1csc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000833135224 604472292 /nfs/dbraw/zinc/47/22/92/604472292.db2.gz VENNVILQECAVDS-LBPRGKRZSA-N -1 1 393.490 2.400 20 0 GEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000832040232 604472977 /nfs/dbraw/zinc/47/29/77/604472977.db2.gz AWYYALBXAXSRPN-YOEHRIQHSA-N -1 1 378.469 2.456 20 0 GEADMM CC(C)C[C@@H](NC(=O)CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000833479329 604474410 /nfs/dbraw/zinc/47/44/10/604474410.db2.gz YRGHYAYOKFNZSM-CVEARBPZSA-N -1 1 385.468 2.224 20 0 GEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Br)cc1 ZINC000444276959 649944870 /nfs/dbraw/zinc/94/48/70/649944870.db2.gz JTKDFPLBOAXDLX-JTQLQIEISA-N -1 1 378.226 2.157 20 0 GEADMM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1-c1cc[nH+]cc1 ZINC000833317862 604623285 /nfs/dbraw/zinc/62/32/85/604623285.db2.gz LYXPXPNWDARHCO-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])N1CCCC1 ZINC000832594031 604674113 /nfs/dbraw/zinc/67/41/13/604674113.db2.gz BLPAMVYGOGFXIN-DOTOQJQBSA-N -1 1 375.469 2.481 20 0 GEADMM CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1)C(C)C ZINC000833389801 604688817 /nfs/dbraw/zinc/68/88/17/604688817.db2.gz WXAIWMZSZXBWIZ-UHFFFAOYSA-N -1 1 391.449 2.338 20 0 GEADMM CSC[C@H]1CCCN1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000832758472 604701635 /nfs/dbraw/zinc/70/16/35/604701635.db2.gz GKILQWNUZGRSDY-RHSMWYFYSA-N -1 1 375.494 2.107 20 0 GEADMM C[C@@H](C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1)C(=O)[O-] ZINC000827449160 604744701 /nfs/dbraw/zinc/74/47/01/604744701.db2.gz HQEYDJGGYMKYBO-NSHDSACASA-N -1 1 377.832 2.044 20 0 GEADMM C[C@@H](CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1)C(=O)[O-] ZINC000827449160 604744705 /nfs/dbraw/zinc/74/47/05/604744705.db2.gz HQEYDJGGYMKYBO-NSHDSACASA-N -1 1 377.832 2.044 20 0 GEADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(F)c(Br)c1 ZINC000825484304 604769758 /nfs/dbraw/zinc/76/97/58/604769758.db2.gz GPEORMYAVRCMCA-JTQLQIEISA-N -1 1 388.237 2.061 20 0 GEADMM Cc1nnc(SCC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)[nH]1 ZINC000832990661 604780892 /nfs/dbraw/zinc/78/08/92/604780892.db2.gz JFFWTXMHBDTFLE-UHFFFAOYSA-N -1 1 375.454 2.007 20 0 GEADMM Cc1n[nH]c(SCC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000832990661 604780898 /nfs/dbraw/zinc/78/08/98/604780898.db2.gz JFFWTXMHBDTFLE-UHFFFAOYSA-N -1 1 375.454 2.007 20 0 GEADMM O=C([O-])CCCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000833225659 604786755 /nfs/dbraw/zinc/78/67/55/604786755.db2.gz BWFXJRAIRWTBSQ-UHFFFAOYSA-N -1 1 390.480 2.155 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1ccc(Cl)cc1 ZINC000826295078 607716553 /nfs/dbraw/zinc/71/65/53/607716553.db2.gz QCBKIKYHXZXODR-UHFFFAOYSA-N -1 1 380.795 2.421 20 0 GEADMM CCn1c(C)cc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1C ZINC000825782625 607717996 /nfs/dbraw/zinc/71/79/96/607717996.db2.gz JKVMKJZJZZHICV-UHFFFAOYSA-N -1 1 391.435 2.206 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1C(=O)[O-] ZINC000833734402 604859236 /nfs/dbraw/zinc/85/92/36/604859236.db2.gz BSJPWRSNLAAZOB-UHFFFAOYSA-N -1 1 379.390 2.405 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1 ZINC000833419980 604864163 /nfs/dbraw/zinc/86/41/63/604864163.db2.gz LVMUJBZZUNBVBP-VGOFRKELSA-N -1 1 399.491 2.246 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000833415632 604880322 /nfs/dbraw/zinc/88/03/22/604880322.db2.gz PPEITHQXPMHKTK-ZDUSSCGKSA-N -1 1 386.452 2.032 20 0 GEADMM CC(C)N(CCN(C)C)S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000833497571 604930169 /nfs/dbraw/zinc/93/01/69/604930169.db2.gz GCCKQYUSNRRJFZ-UHFFFAOYSA-N -1 1 393.303 2.108 20 0 GEADMM O=C([O-])Cc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000833265428 604952304 /nfs/dbraw/zinc/95/23/04/604952304.db2.gz AOLQJGHSCVCOFF-UYAOXDASSA-N -1 1 397.475 2.318 20 0 GEADMM CC[C@H]1CO[C@H](C)CN1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000829160754 604962607 /nfs/dbraw/zinc/96/26/07/604962607.db2.gz KCAABFCKSLPWAU-PWSUYJOCSA-N 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O=C([O-])N[C@H]1CCc2ncc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C1 ZINC000834192502 606079716 /nfs/dbraw/zinc/07/97/16/606079716.db2.gz FGJNQHHZSYPTRA-JTQLQIEISA-N -1 1 383.376 2.286 20 0 GEADMM O=C([O-])N[C@H]1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2C1 ZINC000834193341 606080236 /nfs/dbraw/zinc/08/02/36/606080236.db2.gz JTCNNWZJTPWDKI-HNNXBMFYSA-N -1 1 387.461 2.496 20 0 GEADMM O=C([O-])NC[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834211506 606094466 /nfs/dbraw/zinc/09/44/66/606094466.db2.gz XCXWWZNWQGMZOP-JKSUJKDBSA-N -1 1 383.452 2.440 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820511704 606133601 /nfs/dbraw/zinc/13/36/01/606133601.db2.gz BFAOQIOFKORQKX-JTQLQIEISA-N -1 1 386.437 2.178 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000820511704 606133603 /nfs/dbraw/zinc/13/36/03/606133603.db2.gz BFAOQIOFKORQKX-JTQLQIEISA-N -1 1 386.437 2.178 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCCc2ccccc21 ZINC000820508682 606133766 /nfs/dbraw/zinc/13/37/66/606133766.db2.gz VDZSBPIPTAWQRD-LLVKDONJSA-N -1 1 383.433 2.453 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCCc2ccccc21 ZINC000820508682 606133768 /nfs/dbraw/zinc/13/37/68/606133768.db2.gz VDZSBPIPTAWQRD-LLVKDONJSA-N -1 1 383.433 2.453 20 0 GEADMM CC(C)CO[C@H](C)c1noc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820097949 606133773 /nfs/dbraw/zinc/13/37/73/606133773.db2.gz UHQOQFLJKDLNHR-SECBINFHSA-N -1 1 378.414 2.402 20 0 GEADMM CC(C)CO[C@H](C)c1noc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820097949 606133774 /nfs/dbraw/zinc/13/37/74/606133774.db2.gz UHQOQFLJKDLNHR-SECBINFHSA-N -1 1 378.414 2.402 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821782511 606134108 /nfs/dbraw/zinc/13/41/08/606134108.db2.gz GPHUDEOZICHASB-SNVBAGLBSA-N -1 1 387.421 2.429 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821782511 606134110 /nfs/dbraw/zinc/13/41/10/606134110.db2.gz GPHUDEOZICHASB-SNVBAGLBSA-N -1 1 387.421 2.429 20 0 GEADMM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819844853 606139037 /nfs/dbraw/zinc/13/90/37/606139037.db2.gz MTCIXOPGTHCKIJ-JTQLQIEISA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819844853 606139038 /nfs/dbraw/zinc/13/90/38/606139038.db2.gz MTCIXOPGTHCKIJ-JTQLQIEISA-N -1 1 385.405 2.315 20 0 GEADMM Cc1ccc(CNC(=O)C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000822237120 606141276 /nfs/dbraw/zinc/14/12/76/606141276.db2.gz GAANBRRZPVKSCO-UHFFFAOYSA-N -1 1 377.452 2.103 20 0 GEADMM Cc1ccc(CNC(=O)C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822237120 606141277 /nfs/dbraw/zinc/14/12/77/606141277.db2.gz GAANBRRZPVKSCO-UHFFFAOYSA-N -1 1 377.452 2.103 20 0 GEADMM CN(CCc1cccc2ccccc21)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821604675 606155149 /nfs/dbraw/zinc/15/51/49/606155149.db2.gz ACUWMQWYPCBUSJ-UHFFFAOYSA-N -1 1 376.424 2.460 20 0 GEADMM CN(CCc1cccc2ccccc21)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821604675 606155150 /nfs/dbraw/zinc/15/51/50/606155150.db2.gz ACUWMQWYPCBUSJ-UHFFFAOYSA-N -1 1 376.424 2.460 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(c3ccc(F)cc3)CCCC2)n1 ZINC000822614912 606157437 /nfs/dbraw/zinc/15/74/37/606157437.db2.gz XCKDLSGLQRZRPS-UHFFFAOYSA-N -1 1 384.419 2.373 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(c3ccc(F)cc3)CCCC2)n1 ZINC000822614912 606157439 /nfs/dbraw/zinc/15/74/39/606157439.db2.gz XCKDLSGLQRZRPS-UHFFFAOYSA-N -1 1 384.419 2.373 20 0 GEADMM COc1ccc2cc(CN(C)C(=O)Nc3nn(C)cc3-c3nnn[n-]3)ccc2c1 ZINC000821854868 606158736 /nfs/dbraw/zinc/15/87/36/606158736.db2.gz YXTHAEYEEUNBDM-UHFFFAOYSA-N -1 1 392.423 2.426 20 0 GEADMM COc1ccc2cc(CN(C)C(=O)Nc3nn(C)cc3-c3nn[n-]n3)ccc2c1 ZINC000821854868 606158737 /nfs/dbraw/zinc/15/87/37/606158737.db2.gz YXTHAEYEEUNBDM-UHFFFAOYSA-N -1 1 392.423 2.426 20 0 GEADMM CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821589286 606172821 /nfs/dbraw/zinc/17/28/21/606172821.db2.gz GXUURPDYZWIOOQ-HNNXBMFYSA-N -1 1 381.444 2.035 20 0 GEADMM CN(C)c1cccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821589286 606172822 /nfs/dbraw/zinc/17/28/22/606172822.db2.gz GXUURPDYZWIOOQ-HNNXBMFYSA-N -1 1 381.444 2.035 20 0 GEADMM Cc1ccc(CCC(=O)NCCOC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822235121 606177719 /nfs/dbraw/zinc/17/77/19/606177719.db2.gz UIGMEUBNDOWVLO-UHFFFAOYSA-N -1 1 385.449 2.142 20 0 GEADMM Cc1ccc(CCC(=O)NCCOC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822235121 606177722 /nfs/dbraw/zinc/17/77/22/606177722.db2.gz UIGMEUBNDOWVLO-UHFFFAOYSA-N -1 1 385.449 2.142 20 0 GEADMM COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n1 ZINC000821782746 606195074 /nfs/dbraw/zinc/19/50/74/606195074.db2.gz MONIXCKTTGCRSG-UHFFFAOYSA-N -1 1 391.391 2.327 20 0 GEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726673 606201686 /nfs/dbraw/zinc/20/16/86/606201686.db2.gz AFPCEYDAEOWJTM-QLJPJBMISA-N -1 1 388.428 2.003 20 0 GEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726673 606201688 /nfs/dbraw/zinc/20/16/88/606201688.db2.gz AFPCEYDAEOWJTM-QLJPJBMISA-N -1 1 388.428 2.003 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823478570 606291016 /nfs/dbraw/zinc/29/10/16/606291016.db2.gz MCPATDDNONYUEB-UHFFFAOYSA-N -1 1 386.415 2.456 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823478570 606291018 /nfs/dbraw/zinc/29/10/18/606291018.db2.gz MCPATDDNONYUEB-UHFFFAOYSA-N -1 1 386.415 2.456 20 0 GEADMM CN(CCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(=O)OC(C)(C)C ZINC000821599432 606292784 /nfs/dbraw/zinc/29/27/84/606292784.db2.gz UDIOQOFQCUQOCV-UHFFFAOYSA-N -1 1 376.417 2.158 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000823290042 606294961 /nfs/dbraw/zinc/29/49/61/606294961.db2.gz SHTIFSKVQHHXGH-STQMWFEESA-N -1 1 379.376 2.086 20 0 GEADMM O=C(NC1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1)C1CCCC1 ZINC000823290009 606295945 /nfs/dbraw/zinc/29/59/45/606295945.db2.gz RKHUXWBRMIGAMN-UHFFFAOYSA-N -1 1 398.467 2.376 20 0 GEADMM CCS[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821457425 606325618 /nfs/dbraw/zinc/32/56/18/606325618.db2.gz WOLHZSRXNZXMRJ-KBPBESRZSA-N -1 1 390.513 2.307 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2c(F)cccc21 ZINC000823607704 606332254 /nfs/dbraw/zinc/33/22/54/606332254.db2.gz WEYIBRCCERANBU-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2c(F)cccc21 ZINC000823607704 606332256 /nfs/dbraw/zinc/33/22/56/606332256.db2.gz WEYIBRCCERANBU-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821319145 606393186 /nfs/dbraw/zinc/39/31/86/606393186.db2.gz AVONPIHZJOHAQI-AWEZNQCLSA-N -1 1 390.469 2.488 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1C ZINC000820642930 606393666 /nfs/dbraw/zinc/39/36/66/606393666.db2.gz MWHCMPWAHOXHMX-ZDUSSCGKSA-N -1 1 376.442 2.098 20 0 GEADMM CC(=O)c1ccc2cc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2c1 ZINC000819835409 606403553 /nfs/dbraw/zinc/40/35/53/606403553.db2.gz XRTIENMNCORZPR-UHFFFAOYSA-N -1 1 395.400 2.385 20 0 GEADMM CC(=O)c1ccc2cc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2c1 ZINC000819835409 606403554 /nfs/dbraw/zinc/40/35/54/606403554.db2.gz XRTIENMNCORZPR-UHFFFAOYSA-N -1 1 395.400 2.385 20 0 GEADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[nH]n1 ZINC000822340678 606435845 /nfs/dbraw/zinc/43/58/45/606435845.db2.gz BZTNVAGMCZQEOP-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM O[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)COc1cccc(F)c1 ZINC000823690822 606456527 /nfs/dbraw/zinc/45/65/27/606456527.db2.gz VNLBGDGUKAVPNA-ZDUSSCGKSA-N -1 1 380.383 2.406 20 0 GEADMM O[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)COc1cccc(F)c1 ZINC000823690822 606456529 /nfs/dbraw/zinc/45/65/29/606456529.db2.gz VNLBGDGUKAVPNA-ZDUSSCGKSA-N -1 1 380.383 2.406 20 0 GEADMM CCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821446871 606458959 /nfs/dbraw/zinc/45/89/59/606458959.db2.gz DXFQZIMULNUSMZ-UHFFFAOYSA-N -1 1 379.833 2.420 20 0 GEADMM CCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821446871 606458961 /nfs/dbraw/zinc/45/89/61/606458961.db2.gz DXFQZIMULNUSMZ-UHFFFAOYSA-N -1 1 379.833 2.420 20 0 GEADMM FC(F)(F)c1ccnc(NCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000822728369 606467977 /nfs/dbraw/zinc/46/79/77/606467977.db2.gz HVMYLWBPLRYEIA-UHFFFAOYSA-N -1 1 385.741 2.248 20 0 GEADMM FC(F)(F)c1ccnc(NCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000822728369 606467978 /nfs/dbraw/zinc/46/79/78/606467978.db2.gz HVMYLWBPLRYEIA-UHFFFAOYSA-N -1 1 385.741 2.248 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819940306 606533607 /nfs/dbraw/zinc/53/36/07/606533607.db2.gz WJGFSCYUHIHANO-NSHDSACASA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819940306 606533608 /nfs/dbraw/zinc/53/36/08/606533608.db2.gz WJGFSCYUHIHANO-NSHDSACASA-N -1 1 392.485 2.305 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821065787 606534561 /nfs/dbraw/zinc/53/45/61/606534561.db2.gz NDSVUVPJMXATHF-NWDGAFQWSA-N -1 1 376.486 2.085 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821065787 606534563 /nfs/dbraw/zinc/53/45/63/606534563.db2.gz NDSVUVPJMXATHF-NWDGAFQWSA-N -1 1 376.486 2.085 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000820390539 606535597 /nfs/dbraw/zinc/53/55/97/606535597.db2.gz IGJPVWOZUOQQCC-SNVBAGLBSA-N -1 1 384.421 2.376 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000820390539 606535599 /nfs/dbraw/zinc/53/55/99/606535599.db2.gz IGJPVWOZUOQQCC-SNVBAGLBSA-N -1 1 384.421 2.376 20 0 GEADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000821326060 606536214 /nfs/dbraw/zinc/53/62/14/606536214.db2.gz RZPFLVSRJOOCNW-GFCCVEGCSA-N -1 1 389.412 2.492 20 0 GEADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000821326060 606536217 /nfs/dbraw/zinc/53/62/17/606536217.db2.gz RZPFLVSRJOOCNW-GFCCVEGCSA-N -1 1 389.412 2.492 20 0 GEADMM COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821689541 606556980 /nfs/dbraw/zinc/55/69/80/606556980.db2.gz CBFURVFZEJWMAM-UHFFFAOYSA-N -1 1 391.428 2.235 20 0 GEADMM COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821689541 606556982 /nfs/dbraw/zinc/55/69/82/606556982.db2.gz CBFURVFZEJWMAM-UHFFFAOYSA-N -1 1 391.428 2.235 20 0 GEADMM O=C(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCc2ccccc21 ZINC000823187992 606559279 /nfs/dbraw/zinc/55/92/79/606559279.db2.gz ROEAQYDFGPKELT-UHFFFAOYSA-N -1 1 382.449 2.028 20 0 GEADMM O=C(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCc2ccccc21 ZINC000823187992 606559281 /nfs/dbraw/zinc/55/92/81/606559281.db2.gz ROEAQYDFGPKELT-UHFFFAOYSA-N -1 1 382.449 2.028 20 0 GEADMM COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC000821871642 606565222 /nfs/dbraw/zinc/56/52/22/606565222.db2.gz BWZWZSSLGYOPFU-GFCCVEGCSA-N -1 1 384.465 2.336 20 0 GEADMM COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC000821871642 606565224 /nfs/dbraw/zinc/56/52/24/606565224.db2.gz BWZWZSSLGYOPFU-GFCCVEGCSA-N -1 1 384.465 2.336 20 0 GEADMM CO[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1(C)C ZINC000821678443 606606347 /nfs/dbraw/zinc/60/63/47/606606347.db2.gz NTZHELNTWRZPTQ-QWHCGFSZSA-N -1 1 388.497 2.404 20 0 GEADMM O=C(C=Cc1ccc(Br)o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822928930 606652148 /nfs/dbraw/zinc/65/21/48/606652148.db2.gz NIKRDYQLFDIQMZ-DUXPYHPUSA-N -1 1 376.170 2.374 20 0 GEADMM O=C(C=Cc1ccc(Br)o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822928930 606652149 /nfs/dbraw/zinc/65/21/49/606652149.db2.gz NIKRDYQLFDIQMZ-DUXPYHPUSA-N -1 1 376.170 2.374 20 0 GEADMM COc1ccc(F)c(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000821828053 606702575 /nfs/dbraw/zinc/70/25/75/606702575.db2.gz ONLKDIRGYWGEDL-UHFFFAOYSA-N -1 1 376.373 2.089 20 0 GEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2Cl)c1C ZINC000821568413 606712686 /nfs/dbraw/zinc/71/26/86/606712686.db2.gz SUVAZRYTZDDCIG-UHFFFAOYSA-N -1 1 381.849 2.154 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CCO[C@@H](C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822548092 606753573 /nfs/dbraw/zinc/75/35/73/606753573.db2.gz FEQAMPJXSURFQC-NSHDSACASA-N -1 1 393.444 2.400 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@H](c3cccs3)C2)c(-c2nn[n-]n2)c1C ZINC000822548392 606755640 /nfs/dbraw/zinc/75/56/40/606755640.db2.gz KIGYGKZEFJBPSW-LBPRGKRZSA-N -1 1 388.453 2.150 20 0 GEADMM Cc1oc(NC(=O)COC(=O)Cc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1C ZINC000822549039 606760625 /nfs/dbraw/zinc/76/06/25/606760625.db2.gz SRFLNXPSZOVCQR-UHFFFAOYSA-N -1 1 391.334 2.079 20 0 GEADMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000821476922 606764991 /nfs/dbraw/zinc/76/49/91/606764991.db2.gz UXYQHWLPJLVNCG-UHFFFAOYSA-N -1 1 391.384 2.067 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(CCO)CCCC1 ZINC000822535524 606769342 /nfs/dbraw/zinc/76/93/42/606769342.db2.gz VHXYGKOHVITLGK-UHFFFAOYSA-N -1 1 384.440 2.231 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(CCO)CCCC1 ZINC000822535524 606769343 /nfs/dbraw/zinc/76/93/43/606769343.db2.gz VHXYGKOHVITLGK-UHFFFAOYSA-N -1 1 384.440 2.231 20 0 GEADMM COc1cccc(C=C2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1 ZINC000821863080 606772095 /nfs/dbraw/zinc/77/20/95/606772095.db2.gz HPBBYTRADGPUKY-UHFFFAOYSA-N -1 1 394.439 2.320 20 0 GEADMM COc1cccc(C=C2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1 ZINC000821863080 606772096 /nfs/dbraw/zinc/77/20/96/606772096.db2.gz HPBBYTRADGPUKY-UHFFFAOYSA-N -1 1 394.439 2.320 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1csc(C(C)(C)C)n1 ZINC000820804004 606785440 /nfs/dbraw/zinc/78/54/40/606785440.db2.gz KZAODSUYHCRGQG-LBPRGKRZSA-N -1 1 399.528 2.121 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1csc(C(C)(C)C)n1 ZINC000820804004 606785441 /nfs/dbraw/zinc/78/54/41/606785441.db2.gz KZAODSUYHCRGQG-LBPRGKRZSA-N -1 1 399.528 2.121 20 0 GEADMM CCCCC[C@@H](C)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821049714 606823965 /nfs/dbraw/zinc/82/39/65/606823965.db2.gz NDSNDNROXQKWHN-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM CCCCC[C@@H](C)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821049714 606823967 /nfs/dbraw/zinc/82/39/67/606823967.db2.gz NDSNDNROXQKWHN-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000823123179 606825595 /nfs/dbraw/zinc/82/55/95/606825595.db2.gz QUINTOYVVMREPV-GOSISDBHSA-N -1 1 378.436 2.076 20 0 GEADMM Cc1cccc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822293748 606833707 /nfs/dbraw/zinc/83/37/07/606833707.db2.gz KDCKPGCFTSWCCS-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1cccc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822293748 606833709 /nfs/dbraw/zinc/83/37/09/606833709.db2.gz KDCKPGCFTSWCCS-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM CCc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821487893 606840269 /nfs/dbraw/zinc/84/02/69/606840269.db2.gz ZWUWPKLECZXBBV-UHFFFAOYSA-N -1 1 375.429 2.389 20 0 GEADMM CC(C)CCOC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820077049 606841430 /nfs/dbraw/zinc/84/14/30/606841430.db2.gz ZCODONDLOANOID-UHFFFAOYSA-N -1 1 397.476 2.222 20 0 GEADMM CC(=O)c1ccccc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000819845225 606858340 /nfs/dbraw/zinc/85/83/40/606858340.db2.gz RQNKGTLFGPQKQB-UHFFFAOYSA-N -1 1 383.364 2.075 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCC1CCOCC1 ZINC000822535070 606873440 /nfs/dbraw/zinc/87/34/40/606873440.db2.gz FSIKNDCXZRZYBO-UHFFFAOYSA-N -1 1 384.440 2.448 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCC1CCOCC1 ZINC000822535070 606873442 /nfs/dbraw/zinc/87/34/42/606873442.db2.gz FSIKNDCXZRZYBO-UHFFFAOYSA-N -1 1 384.440 2.448 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cc(F)c(C)cc2F)c(-c2nn[n-]n2)c1C ZINC000822203106 606899226 /nfs/dbraw/zinc/89/92/26/606899226.db2.gz FCDFTFJHZPJFIY-UHFFFAOYSA-N -1 1 391.334 2.459 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CNc1ccccc1 ZINC000822005090 606916713 /nfs/dbraw/zinc/91/67/13/606916713.db2.gz OEVVOTZTYKPNOH-LBPRGKRZSA-N -1 1 395.467 2.134 20 0 GEADMM O=C(OCCCOc1cccc(-c2nn[nH]n2)c1)c1c([O-])cc(F)cc1F ZINC000823400781 606948775 /nfs/dbraw/zinc/94/87/75/606948775.db2.gz KDOMHAANMDIHTI-UHFFFAOYSA-N -1 1 376.319 2.476 20 0 GEADMM CC[C@]1(C)CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000820950259 606957946 /nfs/dbraw/zinc/95/79/46/606957946.db2.gz LFFPJNICLJEBFQ-LJQANCHMSA-N -1 1 382.472 2.107 20 0 GEADMM CC[C@]1(C)CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000820950259 606957948 /nfs/dbraw/zinc/95/79/48/606957948.db2.gz LFFPJNICLJEBFQ-LJQANCHMSA-N -1 1 382.472 2.107 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(Br)c2)n1 ZINC000819971872 607018385 /nfs/dbraw/zinc/01/83/85/607018385.db2.gz VGNKFACZDBDYDN-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(Br)c2)n1 ZINC000819971872 607018386 /nfs/dbraw/zinc/01/83/86/607018386.db2.gz VGNKFACZDBDYDN-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM C[C@@H]1CC[C@@H](CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820684585 607025623 /nfs/dbraw/zinc/02/56/23/607025623.db2.gz RNFDCJPQEALIPT-CHWSQXEVSA-N -1 1 385.472 2.207 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000822614848 607070242 /nfs/dbraw/zinc/07/02/42/607070242.db2.gz UZVIXTRUMURYPL-GFCCVEGCSA-N -1 1 386.391 2.163 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000822614848 607070244 /nfs/dbraw/zinc/07/02/44/607070244.db2.gz UZVIXTRUMURYPL-GFCCVEGCSA-N -1 1 386.391 2.163 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000822535165 607097520 /nfs/dbraw/zinc/09/75/20/607097520.db2.gz ILRBXLKTSLULCB-GFCCVEGCSA-N -1 1 378.396 2.089 20 0 GEADMM Cc1oc(NC(=O)CN(C)Cc2nc3ccccc3o2)c(-c2nn[n-]n2)c1C ZINC000822549025 607099020 /nfs/dbraw/zinc/09/90/20/607099020.db2.gz RZTYCMIDZKKFSB-UHFFFAOYSA-N -1 1 381.396 2.288 20 0 GEADMM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820005396 607102362 /nfs/dbraw/zinc/10/23/62/607102362.db2.gz PVJOAGSGSSOWDB-UHFFFAOYSA-N -1 1 383.437 2.158 20 0 GEADMM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820005396 607102363 /nfs/dbraw/zinc/10/23/63/607102363.db2.gz PVJOAGSGSSOWDB-UHFFFAOYSA-N -1 1 383.437 2.158 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000823382666 607108985 /nfs/dbraw/zinc/10/89/85/607108985.db2.gz CKVVFIYIPSUQCM-UHFFFAOYSA-N -1 1 378.421 2.250 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000823382666 607108987 /nfs/dbraw/zinc/10/89/87/607108987.db2.gz CKVVFIYIPSUQCM-UHFFFAOYSA-N -1 1 378.421 2.250 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2ccc(F)c(F)c2C1 ZINC000823599881 607146487 /nfs/dbraw/zinc/14/64/87/607146487.db2.gz AKVDBYVRMWHULE-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000822288787 607162400 /nfs/dbraw/zinc/16/24/00/607162400.db2.gz JNOBWZMBTLBNJF-OAHLLOKOSA-N -1 1 392.419 2.331 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000822288787 607162402 /nfs/dbraw/zinc/16/24/02/607162402.db2.gz JNOBWZMBTLBNJF-OAHLLOKOSA-N -1 1 392.419 2.331 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2cccc(F)c21 ZINC000822005829 607178216 /nfs/dbraw/zinc/17/82/16/607178216.db2.gz UFHRGDXUTRQMPE-UHFFFAOYSA-N -1 1 382.399 2.245 20 0 GEADMM CCC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821023120 607212258 /nfs/dbraw/zinc/21/22/58/607212258.db2.gz WYEJFQKNFPDFPP-LBPRGKRZSA-N -1 1 394.361 2.135 20 0 GEADMM C[C@@H](Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1)c1ccccc1 ZINC000820456598 607212300 /nfs/dbraw/zinc/21/23/00/607212300.db2.gz VOQVWJZJTRBZCA-CYBMUJFWSA-N -1 1 389.423 2.270 20 0 GEADMM C[C@H](Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1)c1ccccc1 ZINC000820456601 607212458 /nfs/dbraw/zinc/21/24/58/607212458.db2.gz VOQVWJZJTRBZCA-ZDUSSCGKSA-N -1 1 389.423 2.270 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(CCCc2ccccc2)c1 ZINC000823136332 607213098 /nfs/dbraw/zinc/21/30/98/607213098.db2.gz WASFOJFZJDXKHR-UHFFFAOYSA-N -1 1 388.435 2.272 20 0 GEADMM Cc1nc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc(C2CC2)n1 ZINC000822449753 607250799 /nfs/dbraw/zinc/25/07/99/607250799.db2.gz NKRZLFDFRXQISG-UHFFFAOYSA-N -1 1 394.439 2.131 20 0 GEADMM CCc1cccnc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825728397 607781593 /nfs/dbraw/zinc/78/15/93/607781593.db2.gz OHQXEANJPPIDGC-UHFFFAOYSA-N -1 1 391.439 2.055 20 0 GEADMM CCc1cccnc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825728397 607781594 /nfs/dbraw/zinc/78/15/94/607781594.db2.gz OHQXEANJPPIDGC-UHFFFAOYSA-N -1 1 391.439 2.055 20 0 GEADMM CC(C)[C@H]1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000825000359 607794785 /nfs/dbraw/zinc/79/47/85/607794785.db2.gz OTYFVCBPZXNUCA-BZUAXINKSA-N -1 1 398.515 2.156 20 0 GEADMM CC(C)[C@H]1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000825000359 607794786 /nfs/dbraw/zinc/79/47/86/607794786.db2.gz OTYFVCBPZXNUCA-BZUAXINKSA-N -1 1 398.515 2.156 20 0 GEADMM CC(C)[C@H]1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000825000361 607794826 /nfs/dbraw/zinc/79/48/26/607794826.db2.gz OTYFVCBPZXNUCA-JYJNAYRXSA-N -1 1 398.515 2.156 20 0 GEADMM CC(C)[C@H]1CC[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000825000361 607794827 /nfs/dbraw/zinc/79/48/27/607794827.db2.gz OTYFVCBPZXNUCA-JYJNAYRXSA-N -1 1 398.515 2.156 20 0 GEADMM CC(C)(C)c1ccc(C2(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCCC2)cc1 ZINC000824136372 607803615 /nfs/dbraw/zinc/80/36/15/607803615.db2.gz ORYGJDCJKDCUKB-UHFFFAOYSA-N -1 1 394.483 2.341 20 0 GEADMM CC(=O)c1cccc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000824029042 607860379 /nfs/dbraw/zinc/86/03/79/607860379.db2.gz AGEBBAAFUKPXBH-UHFFFAOYSA-N -1 1 395.419 2.463 20 0 GEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824449892 607865110 /nfs/dbraw/zinc/86/51/10/607865110.db2.gz QCQFAKDQRVNZCJ-JTQLQIEISA-N -1 1 391.353 2.410 20 0 GEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824449892 607865111 /nfs/dbraw/zinc/86/51/11/607865111.db2.gz QCQFAKDQRVNZCJ-JTQLQIEISA-N -1 1 391.353 2.410 20 0 GEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC000826211887 607867812 /nfs/dbraw/zinc/86/78/12/607867812.db2.gz YPOSPGPYUQNIJD-UHFFFAOYSA-N -1 1 384.776 2.436 20 0 GEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1Cl ZINC000826211887 607867813 /nfs/dbraw/zinc/86/78/13/607867813.db2.gz YPOSPGPYUQNIJD-UHFFFAOYSA-N -1 1 384.776 2.436 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000826472374 607958214 /nfs/dbraw/zinc/95/82/14/607958214.db2.gz IWADVMROVUMHSX-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000826472374 607958215 /nfs/dbraw/zinc/95/82/15/607958215.db2.gz IWADVMROVUMHSX-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM Cc1cc([C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)ccc1F ZINC000826262651 607976157 /nfs/dbraw/zinc/97/61/57/607976157.db2.gz UOPXSJYLYGDHLX-MRXNPFEDSA-N -1 1 388.428 2.139 20 0 GEADMM Cc1cc([C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)ccc1F ZINC000826262651 607976158 /nfs/dbraw/zinc/97/61/58/607976158.db2.gz UOPXSJYLYGDHLX-MRXNPFEDSA-N -1 1 388.428 2.139 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1-c1ccccc1 ZINC000826322498 607984994 /nfs/dbraw/zinc/98/49/94/607984994.db2.gz PEYWNGQRNQJZOJ-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000824103643 607997748 /nfs/dbraw/zinc/99/77/48/607997748.db2.gz FHZXGAMSMCVMHA-GOSISDBHSA-N -1 1 388.428 2.158 20 0 GEADMM O=C(CN[C@@H](c1ccccc1)C(F)(F)F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826412529 607998157 /nfs/dbraw/zinc/99/81/57/607998157.db2.gz ROMDNSXYOMWUDS-HNNXBMFYSA-N -1 1 392.341 2.404 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCSc1ccccc1Br ZINC000826395188 608012642 /nfs/dbraw/zinc/01/26/42/608012642.db2.gz QGQNPOVHPYYWAH-UHFFFAOYSA-N -1 1 394.258 2.231 20 0 GEADMM Cc1ccc(-c2csc(NC(=O)Cn3ccnc3-c3nnn[n-]3)n2)cc1C ZINC000826273435 608013347 /nfs/dbraw/zinc/01/33/47/608013347.db2.gz DKALFMSPKLNVRC-UHFFFAOYSA-N -1 1 380.437 2.442 20 0 GEADMM Cc1ccc(-c2csc(NC(=O)Cn3ccnc3-c3nn[n-]n3)n2)cc1C ZINC000826273435 608013348 /nfs/dbraw/zinc/01/33/48/608013348.db2.gz DKALFMSPKLNVRC-UHFFFAOYSA-N -1 1 380.437 2.442 20 0 GEADMM Cc1ccc([C@H](NC(=O)Cn2ccnc2-c2nnn[n-]2)c2cccs2)cc1 ZINC000826284376 608013449 /nfs/dbraw/zinc/01/34/49/608013449.db2.gz RXAGGPKJQMVVPF-INIZCTEOSA-N -1 1 379.449 2.339 20 0 GEADMM Cc1ccc([C@H](NC(=O)Cn2ccnc2-c2nn[n-]n2)c2cccs2)cc1 ZINC000826284376 608013450 /nfs/dbraw/zinc/01/34/50/608013450.db2.gz RXAGGPKJQMVVPF-INIZCTEOSA-N -1 1 379.449 2.339 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2ccsc2C1 ZINC000826495506 608026691 /nfs/dbraw/zinc/02/66/91/608026691.db2.gz RNMGQIITGJWXJJ-UHFFFAOYSA-N -1 1 381.870 2.329 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2ccsc2C1 ZINC000826495506 608026690 /nfs/dbraw/zinc/02/66/90/608026690.db2.gz RNMGQIITGJWXJJ-UHFFFAOYSA-N -1 1 381.870 2.329 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccn1 ZINC000826219279 608030712 /nfs/dbraw/zinc/03/07/12/608030712.db2.gz XIAFOROVSZCRFJ-GOSISDBHSA-N -1 1 387.403 2.185 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccn1 ZINC000826219279 608030713 /nfs/dbraw/zinc/03/07/13/608030713.db2.gz XIAFOROVSZCRFJ-GOSISDBHSA-N -1 1 387.403 2.185 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Oc1ccc2nccnc2c1 ZINC000826233251 608031389 /nfs/dbraw/zinc/03/13/89/608031389.db2.gz ZSYAVPJBMXHPLG-UHFFFAOYSA-N -1 1 391.391 2.066 20 0 GEADMM CC(C)Cn1ncc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C(F)F ZINC000824284590 608031658 /nfs/dbraw/zinc/03/16/58/608031658.db2.gz JWASDVSQXKLSNX-UHFFFAOYSA-N -1 1 380.363 2.034 20 0 GEADMM CC(C)Cn1ncc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C(F)F ZINC000824284590 608031659 /nfs/dbraw/zinc/03/16/59/608031659.db2.gz JWASDVSQXKLSNX-UHFFFAOYSA-N -1 1 380.363 2.034 20 0 GEADMM CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(OC)c1 ZINC000825717820 608055435 /nfs/dbraw/zinc/05/54/35/608055435.db2.gz QSDTUMLGGFWNMF-UHFFFAOYSA-N -1 1 378.385 2.345 20 0 GEADMM CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(OC)c1 ZINC000825717820 608055436 /nfs/dbraw/zinc/05/54/36/608055436.db2.gz QSDTUMLGGFWNMF-UHFFFAOYSA-N -1 1 378.385 2.345 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826333178 608059355 /nfs/dbraw/zinc/05/93/55/608059355.db2.gz XNAZTNYQKWYSFW-GXTWGEPZSA-N -1 1 394.435 2.409 20 0 GEADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826470287 608086543 /nfs/dbraw/zinc/08/65/43/608086543.db2.gz LDEGCNIWLNFRGE-MRXNPFEDSA-N -1 1 385.811 2.439 20 0 GEADMM COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826187815 608087873 /nfs/dbraw/zinc/08/78/73/608087873.db2.gz FZGBBXXNGFDYEQ-LPHOPBHVSA-N -1 1 399.476 2.449 20 0 GEADMM COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826187815 608087874 /nfs/dbraw/zinc/08/78/74/608087874.db2.gz FZGBBXXNGFDYEQ-LPHOPBHVSA-N -1 1 399.476 2.449 20 0 GEADMM COc1ccc(CS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826207373 608109568 /nfs/dbraw/zinc/10/95/68/608109568.db2.gz LWFNYWNKHGXCLK-UHFFFAOYSA-N -1 1 379.829 2.039 20 0 GEADMM COc1ccc(CS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826207373 608109569 /nfs/dbraw/zinc/10/95/69/608109569.db2.gz LWFNYWNKHGXCLK-UHFFFAOYSA-N -1 1 379.829 2.039 20 0 GEADMM Cc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000826285895 608125164 /nfs/dbraw/zinc/12/51/64/608125164.db2.gz NBWGLNFNFVCNGG-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM CCc1n[nH]cc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825687390 608145502 /nfs/dbraw/zinc/14/55/02/608145502.db2.gz IOIVOFAJZWIKOP-UHFFFAOYSA-N -1 1 378.396 2.003 20 0 GEADMM COc1ccc(-n2nc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2C)cc1 ZINC000826186883 608167790 /nfs/dbraw/zinc/16/77/90/608167790.db2.gz NZTTXWAMSQXCQJ-UHFFFAOYSA-N -1 1 391.391 2.327 20 0 GEADMM CC(C)c1nc([C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)no1 ZINC000824358502 608180101 /nfs/dbraw/zinc/18/01/01/608180101.db2.gz MAJPCEAEVLEKDY-ZETCQYMHSA-N -1 1 382.837 2.061 20 0 GEADMM CC(C)c1nc([C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)no1 ZINC000824358502 608180102 /nfs/dbraw/zinc/18/01/02/608180102.db2.gz MAJPCEAEVLEKDY-ZETCQYMHSA-N -1 1 382.837 2.061 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824974576 608245149 /nfs/dbraw/zinc/24/51/49/608245149.db2.gz BMBNAIWVMREUOE-MNOVXSKESA-N -1 1 392.485 2.398 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824974576 608245151 /nfs/dbraw/zinc/24/51/51/608245151.db2.gz BMBNAIWVMREUOE-MNOVXSKESA-N -1 1 392.485 2.398 20 0 GEADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824052548 608308758 /nfs/dbraw/zinc/30/87/58/608308758.db2.gz PENFQWGWXCHFTI-QMMMGPOBSA-N -1 1 376.218 2.105 20 0 GEADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824052548 608308761 /nfs/dbraw/zinc/30/87/61/608308761.db2.gz PENFQWGWXCHFTI-QMMMGPOBSA-N -1 1 376.218 2.105 20 0 GEADMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826416231 608321207 /nfs/dbraw/zinc/32/12/07/608321207.db2.gz OTCQMYGBWGBGFH-UHFFFAOYSA-N -1 1 391.746 2.160 20 0 GEADMM c1cc2nccc(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)c2cn1 ZINC000826519072 608366859 /nfs/dbraw/zinc/36/68/59/608366859.db2.gz IUUFLBMGYUVLRY-UHFFFAOYSA-N -1 1 389.423 2.002 20 0 GEADMM COc1ccc(Oc2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccn2)cc1 ZINC000826211720 608400002 /nfs/dbraw/zinc/40/00/02/608400002.db2.gz RGSBRGCECDWCMB-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM COc1ccc(Oc2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccn2)cc1 ZINC000826211720 608400003 /nfs/dbraw/zinc/40/00/03/608400003.db2.gz RGSBRGCECDWCMB-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM O[C@](CNc1ccc(-c2nnn[n-]2)nn1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000826502702 608409366 /nfs/dbraw/zinc/40/93/66/608409366.db2.gz JAGDZRHOAAGUOY-CYBMUJFWSA-N -1 1 385.737 2.172 20 0 GEADMM O[C@](CNc1ccc(-c2nn[n-]n2)nn1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000826502702 608409368 /nfs/dbraw/zinc/40/93/68/608409368.db2.gz JAGDZRHOAAGUOY-CYBMUJFWSA-N -1 1 385.737 2.172 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc2ccccc2c1 ZINC000826103034 608418474 /nfs/dbraw/zinc/41/84/74/608418474.db2.gz BUVJCPKXLVRJBJ-MRXNPFEDSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc2ccccc2c1 ZINC000826103034 608418476 /nfs/dbraw/zinc/41/84/76/608418476.db2.gz BUVJCPKXLVRJBJ-MRXNPFEDSA-N -1 1 389.419 2.254 20 0 GEADMM Cc1cc(Cl)cc(C=O)c1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826267490 608422287 /nfs/dbraw/zinc/42/22/87/608422287.db2.gz IGRCBXMPMOLVKK-UHFFFAOYSA-N -1 1 378.797 2.409 20 0 GEADMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824385145 608433677 /nfs/dbraw/zinc/43/36/77/608433677.db2.gz MVVVGTVIMVBNNR-ZDUSSCGKSA-N -1 1 393.455 2.086 20 0 GEADMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824385145 608433678 /nfs/dbraw/zinc/43/36/78/608433678.db2.gz MVVVGTVIMVBNNR-ZDUSSCGKSA-N -1 1 393.455 2.086 20 0 GEADMM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826492874 608529164 /nfs/dbraw/zinc/52/91/64/608529164.db2.gz JFAIIRDWLNDQFL-UHFFFAOYSA-N -1 1 377.813 2.351 20 0 GEADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000824041202 608554577 /nfs/dbraw/zinc/55/45/77/608554577.db2.gz ZHALJHJNDYWCRH-JTQLQIEISA-N -1 1 388.863 2.020 20 0 GEADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000824041202 608554578 /nfs/dbraw/zinc/55/45/78/608554578.db2.gz ZHALJHJNDYWCRH-JTQLQIEISA-N -1 1 388.863 2.020 20 0 GEADMM CC(C)[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824192407 608557194 /nfs/dbraw/zinc/55/71/94/608557194.db2.gz JHTSIEGJIGTGQY-OAHLLOKOSA-N -1 1 396.499 2.393 20 0 GEADMM CC(C)[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824192407 608557196 /nfs/dbraw/zinc/55/71/96/608557196.db2.gz JHTSIEGJIGTGQY-OAHLLOKOSA-N -1 1 396.499 2.393 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)c1ccncc1 ZINC000826232626 608588640 /nfs/dbraw/zinc/58/86/40/608588640.db2.gz ARFCLZQKUJBNGW-UHFFFAOYSA-N -1 1 395.467 2.006 20 0 GEADMM O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826473388 608676337 /nfs/dbraw/zinc/67/63/37/608676337.db2.gz WJGDSKQDYOBIGB-UHFFFAOYSA-N -1 1 390.419 2.164 20 0 GEADMM CC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000824823895 608756038 /nfs/dbraw/zinc/75/60/38/608756038.db2.gz QJEROFJWRZDORA-UHFFFAOYSA-N -1 1 387.440 2.089 20 0 GEADMM CC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000824823895 608756039 /nfs/dbraw/zinc/75/60/39/608756039.db2.gz QJEROFJWRZDORA-UHFFFAOYSA-N -1 1 387.440 2.089 20 0 GEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1nccs1 ZINC000824235781 608827089 /nfs/dbraw/zinc/82/70/89/608827089.db2.gz JOZSDBFERQGGGM-VIFPVBQESA-N -1 1 391.482 2.168 20 0 GEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1nccs1 ZINC000824235781 608827093 /nfs/dbraw/zinc/82/70/93/608827093.db2.gz JOZSDBFERQGGGM-VIFPVBQESA-N -1 1 391.482 2.168 20 0 GEADMM CN(C(=O)Cn1ccnc1-c1nnn[n-]1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000825820402 608887828 /nfs/dbraw/zinc/88/78/28/608887828.db2.gz DCLNTQVEHNSQNU-GOSISDBHSA-N -1 1 391.410 2.450 20 0 GEADMM CN(C(=O)Cn1ccnc1-c1nn[n-]n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000825820402 608887830 /nfs/dbraw/zinc/88/78/30/608887830.db2.gz DCLNTQVEHNSQNU-GOSISDBHSA-N -1 1 391.410 2.450 20 0 GEADMM COc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(F)(F)F)cc1 ZINC000826188898 609139080 /nfs/dbraw/zinc/13/90/80/609139080.db2.gz JNQSCXKTMKWSER-ZDUSSCGKSA-N -1 1 378.314 2.304 20 0 GEADMM COc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(F)(F)F)cc1 ZINC000826188898 609139082 /nfs/dbraw/zinc/13/90/82/609139082.db2.gz JNQSCXKTMKWSER-ZDUSSCGKSA-N -1 1 378.314 2.304 20 0 GEADMM Cc1ccc(Cl)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826288837 609160622 /nfs/dbraw/zinc/16/06/22/609160622.db2.gz YQXBEJUGUXLDSL-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Cc1ccc(Cl)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826288837 609160623 /nfs/dbraw/zinc/16/06/23/609160623.db2.gz YQXBEJUGUXLDSL-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM O[C@]1(c2ccc(F)cc2)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826506371 609170393 /nfs/dbraw/zinc/17/03/93/609170393.db2.gz SXJYQMPIVWZYEW-LJQANCHMSA-N -1 1 377.383 2.047 20 0 GEADMM O[C@]1(c2ccc(F)cc2)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826506371 609170395 /nfs/dbraw/zinc/17/03/95/609170395.db2.gz SXJYQMPIVWZYEW-LJQANCHMSA-N -1 1 377.383 2.047 20 0 GEADMM CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824245458 609181998 /nfs/dbraw/zinc/18/19/98/609181998.db2.gz ZXPZHDXBVKRKGS-NWDGAFQWSA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824245458 609181999 /nfs/dbraw/zinc/18/19/99/609181999.db2.gz ZXPZHDXBVKRKGS-NWDGAFQWSA-N -1 1 399.904 2.392 20 0 GEADMM Cc1onc(CC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)c1-c1nnn[n-]1 ZINC000826270345 609264325 /nfs/dbraw/zinc/26/43/25/609264325.db2.gz WLACMGRQTDQKQR-LBPRGKRZSA-N -1 1 396.455 2.427 20 0 GEADMM Cc1onc(CC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)c1-c1nn[n-]n1 ZINC000826270345 609264326 /nfs/dbraw/zinc/26/43/26/609264326.db2.gz WLACMGRQTDQKQR-LBPRGKRZSA-N -1 1 396.455 2.427 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229438 609267712 /nfs/dbraw/zinc/26/77/12/609267712.db2.gz DVDQTQATDOJKHK-GHMZBOCLSA-N -1 1 392.485 2.013 20 0 GEADMM CC(C)(C)CCNC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824086533 609278049 /nfs/dbraw/zinc/27/80/49/609278049.db2.gz MYRDQTGKQCWUPH-UHFFFAOYSA-N -1 1 386.435 2.156 20 0 GEADMM CC(C)Cn1ncnc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824285174 609278290 /nfs/dbraw/zinc/27/82/90/609278290.db2.gz ZVOVKTFNMVXONF-UHFFFAOYSA-N -1 1 382.407 2.051 20 0 GEADMM CC(C)Cc1noc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000824281144 609278306 /nfs/dbraw/zinc/27/83/06/609278306.db2.gz ZRLTXMKSHLZDFV-UHFFFAOYSA-N -1 1 383.391 2.385 20 0 GEADMM CN(C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccccc1 ZINC000825817772 609278545 /nfs/dbraw/zinc/27/85/45/609278545.db2.gz OVVHBISAKPNOST-UHFFFAOYSA-N -1 1 392.398 2.266 20 0 GEADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCCCCC1 ZINC000826414098 609279317 /nfs/dbraw/zinc/27/93/17/609279317.db2.gz FJOWZARMAOYMKP-UHFFFAOYSA-N -1 1 384.419 2.006 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC=C(c2ccccc2)C1 ZINC000826232965 609285568 /nfs/dbraw/zinc/28/55/68/609285568.db2.gz OMOXDHVISWCRMO-UHFFFAOYSA-N -1 1 390.447 2.443 20 0 GEADMM O=C(CCc1ccccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409086 609289273 /nfs/dbraw/zinc/28/92/73/609289273.db2.gz HZLQULPLPUXNRB-UHFFFAOYSA-N -1 1 378.371 2.158 20 0 GEADMM CC(C)c1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n(C)n1 ZINC000824342185 609290168 /nfs/dbraw/zinc/29/01/68/609290168.db2.gz MJUUNVBETVFPPM-UHFFFAOYSA-N -1 1 395.402 2.301 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc(Cl)nc1 ZINC000826458324 609293356 /nfs/dbraw/zinc/29/33/56/609293356.db2.gz LWQJRMYCUPMXGB-UHFFFAOYSA-N -1 1 384.762 2.492 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC(C)(C)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826229694 609300131 /nfs/dbraw/zinc/30/01/31/609300131.db2.gz NILXNVMZFRMULC-UHFFFAOYSA-N -1 1 388.428 2.493 20 0 GEADMM CC(C)CC(CC(C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824228790 609301654 /nfs/dbraw/zinc/30/16/54/609301654.db2.gz KZMOFJQRFNCVGE-UHFFFAOYSA-N -1 1 391.524 2.207 20 0 GEADMM CC(C)CC(CC(C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824228790 609301655 /nfs/dbraw/zinc/30/16/55/609301655.db2.gz KZMOFJQRFNCVGE-UHFFFAOYSA-N -1 1 391.524 2.207 20 0 GEADMM Cc1cc(Br)ccc1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000826256741 609308045 /nfs/dbraw/zinc/30/80/45/609308045.db2.gz YMOUKZIEUVCCGN-UHFFFAOYSA-N -1 1 375.230 2.159 20 0 GEADMM Cc1ccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1O ZINC000826286629 609311621 /nfs/dbraw/zinc/31/16/21/609311621.db2.gz JQGIOEAWCXFJEN-UHFFFAOYSA-N -1 1 393.382 2.387 20 0 GEADMM O=CNc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826484310 609315509 /nfs/dbraw/zinc/31/55/09/609315509.db2.gz XTIYQZPVSQRPHZ-UHFFFAOYSA-N -1 1 392.354 2.012 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[C@H](C2CC2)C1 ZINC000826458145 609360008 /nfs/dbraw/zinc/36/00/08/609360008.db2.gz FAKLXTVIWXAGSP-LBPRGKRZSA-N -1 1 382.403 2.455 20 0 GEADMM CSCC[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228150 609363985 /nfs/dbraw/zinc/36/39/85/609363985.db2.gz GOVRTHOXEDLTEH-JTQLQIEISA-N -1 1 390.448 2.455 20 0 GEADMM Cc1ccc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826288124 609364049 /nfs/dbraw/zinc/36/40/49/609364049.db2.gz RYWZEYKGPLKTQW-UHFFFAOYSA-N -1 1 393.386 2.217 20 0 GEADMM FC(F)(F)c1ccccc1[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000826369138 609387638 /nfs/dbraw/zinc/38/76/38/609387638.db2.gz OOOXEOOOBWAVKS-GFCCVEGCSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1ccccc1[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000826369138 609387640 /nfs/dbraw/zinc/38/76/40/609387640.db2.gz OOOXEOOOBWAVKS-GFCCVEGCSA-N -1 1 377.330 2.253 20 0 GEADMM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826322203 609405194 /nfs/dbraw/zinc/40/51/94/609405194.db2.gz CLZLJPIJCZWOEF-UHFFFAOYSA-N -1 1 388.363 2.044 20 0 GEADMM Cc1nc(S[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[n-]c(=O)c1C ZINC000826327492 609423158 /nfs/dbraw/zinc/42/31/58/609423158.db2.gz JZHMMEVGRVXCMC-AWEZNQCLSA-N -1 1 397.464 2.267 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826296886 609468530 /nfs/dbraw/zinc/46/85/30/609468530.db2.gz NLXHQANFAWFZBK-IBGZPJMESA-N -1 1 389.419 2.315 20 0 GEADMM Cc1onc(CC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826296886 609468532 /nfs/dbraw/zinc/46/85/32/609468532.db2.gz NLXHQANFAWFZBK-IBGZPJMESA-N -1 1 389.419 2.315 20 0 GEADMM Cc1onc(CC(=O)NCC2(c3ccc(F)cc3Cl)CC2)c1-c1nnn[n-]1 ZINC000826347380 609469527 /nfs/dbraw/zinc/46/95/27/609469527.db2.gz PERKDEOUULIRTF-UHFFFAOYSA-N -1 1 390.806 2.346 20 0 GEADMM Cc1onc(CC(=O)NCC2(c3ccc(F)cc3Cl)CC2)c1-c1nn[n-]n1 ZINC000826347380 609469529 /nfs/dbraw/zinc/46/95/29/609469529.db2.gz PERKDEOUULIRTF-UHFFFAOYSA-N -1 1 390.806 2.346 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000826263582 609472825 /nfs/dbraw/zinc/47/28/25/609472825.db2.gz IFWGROMCILTSLP-UHFFFAOYSA-N -1 1 392.423 2.455 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)nn1-c1cc(C)cc(C)c1 ZINC000826263582 609472827 /nfs/dbraw/zinc/47/28/27/609472827.db2.gz IFWGROMCILTSLP-UHFFFAOYSA-N -1 1 392.423 2.455 20 0 GEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824910710 609586646 /nfs/dbraw/zinc/58/66/46/609586646.db2.gz YGVPACIIESVGJZ-BDAKNGLRSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@@H]1C[C@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824882374 609611773 /nfs/dbraw/zinc/61/17/73/609611773.db2.gz ARGBTLPMMODIHE-GHMZBOCLSA-N -1 1 385.877 2.004 20 0 GEADMM C[C@@H]1C[C@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824882374 609611775 /nfs/dbraw/zinc/61/17/75/609611775.db2.gz ARGBTLPMMODIHE-GHMZBOCLSA-N -1 1 385.877 2.004 20 0 GEADMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)c1 ZINC000446969081 649991548 /nfs/dbraw/zinc/99/15/48/649991548.db2.gz FTQNHAXSPIRDPZ-UHFFFAOYSA-N -1 1 378.435 2.262 20 0 GEADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)n[nH]1 ZINC000450981657 650077774 /nfs/dbraw/zinc/07/77/74/650077774.db2.gz QNYSXRQZKMFHMU-UHFFFAOYSA-N -1 1 385.511 2.344 20 0 GEADMM NC(=O)C1(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCOCC1 ZINC000451047117 650081913 /nfs/dbraw/zinc/08/19/13/650081913.db2.gz RFQRZTYKORJJFT-UHFFFAOYSA-N -1 1 388.898 2.115 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C(C)(F)F)c(F)c1 ZINC000451069657 650083537 /nfs/dbraw/zinc/08/35/37/650083537.db2.gz MDAVBAFQVBGNJJ-SECBINFHSA-N -1 1 388.433 2.299 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c1 ZINC000451077709 650084111 /nfs/dbraw/zinc/08/41/11/650084111.db2.gz CZPNUQYESGTSJN-UHFFFAOYSA-N -1 1 380.491 2.274 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2C)cc1F ZINC000451116540 650088134 /nfs/dbraw/zinc/08/81/34/650088134.db2.gz RHDBOOHTPLOTMU-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCSC2)c(F)c1 ZINC000451276964 650100167 /nfs/dbraw/zinc/10/01/67/650100167.db2.gz QUYFPMYQVBGJIZ-GFCCVEGCSA-N -1 1 396.531 2.151 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)c(F)c1 ZINC000451174869 650093201 /nfs/dbraw/zinc/09/32/01/650093201.db2.gz YXRKFEIEAWPKSN-FZMZJTMJSA-N -1 1 378.491 2.444 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2sccc2Cl)CCCN1CC(F)(F)F ZINC000451342323 650105463 /nfs/dbraw/zinc/10/54/63/650105463.db2.gz NRAHLJFBVIBKEP-MRVPVSSYSA-N -1 1 376.809 2.233 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)[C@H]1CCCOC1 ZINC000451386054 650109934 /nfs/dbraw/zinc/10/99/34/650109934.db2.gz VHBXKXTZEPPMIC-BFHYXJOUSA-N -1 1 383.457 2.090 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCSC2)c(F)c1 ZINC000451479367 650119448 /nfs/dbraw/zinc/11/94/48/650119448.db2.gz MSPZTAUYZXTQME-LLVKDONJSA-N -1 1 396.531 2.009 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC2(C)C)c(F)c1 ZINC000451560205 650125233 /nfs/dbraw/zinc/12/52/33/650125233.db2.gz HYYMVZFTBYHTMF-CQSZACIVSA-N -1 1 378.491 2.444 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(=O)NC ZINC000452081422 650171493 /nfs/dbraw/zinc/17/14/93/650171493.db2.gz JVSVRFWTKAIUPO-SECBINFHSA-N -1 1 387.658 2.045 20 0 GEADMM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(F)F ZINC000452256626 650177338 /nfs/dbraw/zinc/17/73/38/650177338.db2.gz UNZSISLLJQJLGI-VIFPVBQESA-N -1 1 375.224 2.432 20 0 GEADMM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(F)F ZINC000452256625 650177353 /nfs/dbraw/zinc/17/73/53/650177353.db2.gz UNZSISLLJQJLGI-SECBINFHSA-N -1 1 375.224 2.432 20 0 GEADMM CO[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C[C@@H]1C ZINC000452845486 650199129 /nfs/dbraw/zinc/19/91/29/650199129.db2.gz RVXDKVAMHMYKQG-ZANVPECISA-N -1 1 375.206 2.494 20 0 GEADMM COc1cncc(S(=O)(=O)[N-][C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 ZINC000500468552 650378295 /nfs/dbraw/zinc/37/82/95/650378295.db2.gz IIVPZBRMWJPSRW-ZDUSSCGKSA-N -1 1 378.376 2.022 20 0 GEADMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000460838539 650446783 /nfs/dbraw/zinc/44/67/83/650446783.db2.gz GUWNOPVLTDRZFD-UHFFFAOYSA-N -1 1 398.217 2.365 20 0 GEADMM O=S(=O)(CCc1ccccc1Br)[N-]c1nnc2ccccn21 ZINC000461107861 650449196 /nfs/dbraw/zinc/44/91/96/650449196.db2.gz DHVAYNROJRZTOL-UHFFFAOYSA-N -1 1 381.255 2.476 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000461459701 650454315 /nfs/dbraw/zinc/45/43/15/650454315.db2.gz GFRJQWXOQZQOGA-UHFFFAOYSA-N -1 1 376.768 2.484 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000461452366 650454351 /nfs/dbraw/zinc/45/43/51/650454351.db2.gz INLRPMNWYXZLNJ-UHFFFAOYSA-N -1 1 383.495 2.236 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000461457390 650454407 /nfs/dbraw/zinc/45/44/07/650454407.db2.gz PXHVTCRIOQFMJZ-UHFFFAOYSA-N -1 1 378.303 2.109 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC000461461697 650454618 /nfs/dbraw/zinc/45/46/18/650454618.db2.gz ALDBMIRDNCYBSP-SECBINFHSA-N -1 1 385.467 2.025 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c(Cl)cc1F ZINC000507570999 650463185 /nfs/dbraw/zinc/46/31/85/650463185.db2.gz VERYRZCSRDVDGH-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM CC(C)OC(=O)CCCNC(=O)c1ccc(I)c([O-])c1 ZINC000462816387 650490641 /nfs/dbraw/zinc/49/06/41/650490641.db2.gz RJIOBHKKQGTWGX-UHFFFAOYSA-N -1 1 391.205 2.458 20 0 GEADMM CC(C)c1n[nH]c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1Br ZINC000509259290 650491862 /nfs/dbraw/zinc/49/18/62/650491862.db2.gz FLVQWULRKOZCTI-UHFFFAOYSA-N -1 1 384.234 2.404 20 0 GEADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509284078 650492650 /nfs/dbraw/zinc/49/26/50/650492650.db2.gz 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GEADMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000107350389 643254714 /nfs/dbraw/zinc/25/47/14/643254714.db2.gz BUJRVXLMRTZURR-ZETCQYMHSA-N -1 1 377.253 2.332 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000107350374 643254760 /nfs/dbraw/zinc/25/47/60/643254760.db2.gz IBAQBKDXIMJWJN-RKDXNWHRSA-N -1 1 375.237 2.257 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[n-]1 ZINC000107350374 643254768 /nfs/dbraw/zinc/25/47/68/643254768.db2.gz IBAQBKDXIMJWJN-RKDXNWHRSA-N -1 1 375.237 2.257 20 0 GEADMM CCCc1n[n-]c(=S)n1CC(=O)NCC(=O)OCc1ccccc1Cl ZINC000113221503 643385704 /nfs/dbraw/zinc/38/57/04/643385704.db2.gz DKOSQSIWTHGPLJ-UHFFFAOYSA-N -1 1 382.873 2.406 20 0 GEADMM CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000538941100 650839480 /nfs/dbraw/zinc/83/94/80/650839480.db2.gz VHKAKSGFOCPZBW-UHFFFAOYSA-N -1 1 381.475 2.357 20 0 GEADMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538951137 650839871 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CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000120408078 643605479 /nfs/dbraw/zinc/60/54/79/643605479.db2.gz VTVGYPHLNYLIIF-NSHDSACASA-N -1 1 390.271 2.120 20 0 GEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@@H]2c2ccccc2Br)s1 ZINC000121112889 643628098 /nfs/dbraw/zinc/62/80/98/643628098.db2.gz LEBAFWGGISUFEQ-VXGBXAGGSA-N -1 1 382.283 2.459 20 0 GEADMM O=C(CNC(=O)c1ccc(F)cc1F)Nc1nc(Br)ccc1[O-] ZINC000121559722 643635648 /nfs/dbraw/zinc/63/56/48/643635648.db2.gz QRVIFCVVZLEZFA-UHFFFAOYSA-N -1 1 386.152 2.196 20 0 GEADMM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000122058547 643649532 /nfs/dbraw/zinc/64/95/32/643649532.db2.gz KYHLFCOQRUOPJW-HQJQHLMTSA-N -1 1 398.225 2.347 20 0 GEADMM CN(C)[C@@H](CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)c1cccs1 ZINC000123449134 643671042 /nfs/dbraw/zinc/67/10/42/643671042.db2.gz RQMLEGSTCLJRQU-AWEZNQCLSA-N -1 1 385.486 2.291 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C)ccc2Br)n1 ZINC000124712603 643689656 /nfs/dbraw/zinc/68/96/56/643689656.db2.gz 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GEADMM O=C(CSCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc(Cl)cc1 ZINC000155601057 644077337 /nfs/dbraw/zinc/07/73/37/644077337.db2.gz LKLNXJLVCLZMQQ-GFCCVEGCSA-N -1 1 379.873 2.175 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC(O)C3)c2)c1 ZINC000156122985 644084654 /nfs/dbraw/zinc/08/46/54/644084654.db2.gz HPQWQUSMSWTKIE-UHFFFAOYSA-N -1 1 380.853 2.266 20 0 GEADMM C[C@H](CN(C)C(=O)CCCOc1ccccc1Br)c1nn[n-]n1 ZINC000156558810 644103324 /nfs/dbraw/zinc/10/33/24/644103324.db2.gz SKVXSDIZXCNDEK-LLVKDONJSA-N -1 1 382.262 2.383 20 0 GEADMM Nn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1SCc1ccccc1 ZINC000161148379 644208616 /nfs/dbraw/zinc/20/86/16/644208616.db2.gz QJSYLSPWZMIVGW-UHFFFAOYSA-N -1 1 391.444 2.445 20 0 GEADMM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000179439266 644459061 /nfs/dbraw/zinc/45/90/61/644459061.db2.gz KWZNQRSEAXXLQD-MRVPVSSYSA-N -1 1 399.694 2.365 20 0 GEADMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cn1C ZINC000180907110 644518863 /nfs/dbraw/zinc/51/88/63/644518863.db2.gz UHRUOEUQIBOSIH-UHFFFAOYSA-N -1 1 384.889 2.247 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CN1c1ccccc1 ZINC000544001524 650930678 /nfs/dbraw/zinc/93/06/78/650930678.db2.gz OEUVPRWZPGFPEO-CYBMUJFWSA-N -1 1 399.241 2.282 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC(C)(C)C1 ZINC000544100364 650932956 /nfs/dbraw/zinc/93/29/56/650932956.db2.gz DSCIBLOWUHZBFL-NSHDSACASA-N -1 1 378.491 2.254 20 0 GEADMM O=C(/C=C/c1cncc(O)c1)N[N-]C(=O)c1cc(F)ccc1Br ZINC000181979001 644953949 /nfs/dbraw/zinc/95/39/49/644953949.db2.gz BJMBJARZGYWTMA-DAFODLJHSA-N -1 1 380.173 2.163 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)co1 ZINC000182020337 644956203 /nfs/dbraw/zinc/95/62/03/644956203.db2.gz NJAMGIIRRGNRGQ-CYBMUJFWSA-N -1 1 384.841 2.485 20 0 GEADMM O=C(NNC(=O)c1cc(Cl)ccc1[O-])c1cnn(CCC(F)(F)F)c1 ZINC000182645425 644966517 /nfs/dbraw/zinc/96/65/17/644966517.db2.gz NAVPUPOOQYDWMT-UHFFFAOYSA-N -1 1 376.722 2.269 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000182911268 644974290 /nfs/dbraw/zinc/97/42/90/644974290.db2.gz HSZHTZDSSCZXOO-JTQLQIEISA-N -1 1 391.287 2.073 20 0 GEADMM Nc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000184850519 645027756 /nfs/dbraw/zinc/02/77/56/645027756.db2.gz MFVPEUYZIVLKRB-UHFFFAOYSA-N -1 1 386.227 2.418 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3cccc(Br)c3C2)o1 ZINC000185261556 645040443 /nfs/dbraw/zinc/04/04/43/645040443.db2.gz DDWIBXSSPXUQMA-UHFFFAOYSA-N -1 1 385.239 2.106 20 0 GEADMM O=C(Nc1nnc2ccccn21)c1ccc(I)c([O-])c1 ZINC000545480731 650976388 /nfs/dbraw/zinc/97/63/88/650976388.db2.gz RSEPIKVJJFAMNO-UHFFFAOYSA-N -1 1 380.145 2.292 20 0 GEADMM O=C([N-]NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Br)ncc1Cl ZINC000188735888 645123821 /nfs/dbraw/zinc/12/38/21/645123821.db2.gz PMWQOTWCVSWUKR-UHFFFAOYSA-N -1 1 399.588 2.481 20 0 GEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000191141890 645170567 /nfs/dbraw/zinc/17/05/67/645170567.db2.gz 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20 0 GEADMM O=C([C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)N1CCC(c2nn[n-]n2)CC1 ZINC000913747183 654807754 /nfs/dbraw/zinc/80/77/54/654807754.db2.gz SRIYDHQIMOZQAH-RRFJBIMHSA-N -1 1 388.269 2.254 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCO2)c1F ZINC000913903779 654815076 /nfs/dbraw/zinc/81/50/76/654815076.db2.gz SCFLQIOVRPGDAI-WPRPVWTQSA-N -1 1 382.251 2.443 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(C)C ZINC000913967214 654819072 /nfs/dbraw/zinc/81/90/72/654819072.db2.gz GKSQVBFBQADCIM-SNVBAGLBSA-N -1 1 391.291 2.213 20 0 GEADMM CC[C@](C)([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC ZINC000914023542 654822232 /nfs/dbraw/zinc/82/22/32/654822232.db2.gz BSALQNWPVIVPKE-ZDUSSCGKSA-N -1 1 398.250 2.217 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCOCC2CC2)c1F ZINC000914078618 654825132 /nfs/dbraw/zinc/82/51/32/654825132.db2.gz GCPCQAPGLBPXDR-UHFFFAOYSA-N -1 1 382.251 2.302 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCn2cc(C)cn2)c1F ZINC000914127942 654828360 /nfs/dbraw/zinc/82/83/60/654828360.db2.gz WEQYCVXTICATPI-UHFFFAOYSA-N -1 1 392.250 2.080 20 0 GEADMM C[C@@](O)(C[N-]S(=O)(=O)Cc1cccc(F)c1Br)C(F)(F)F ZINC000914304664 654843456 /nfs/dbraw/zinc/84/34/56/654843456.db2.gz FBOTZMCSILPSMI-SNVBAGLBSA-N -1 1 394.184 2.321 20 0 GEADMM COc1cc(NS(=O)(=O)c2ncn(C)c2Cl)c(Cl)cc1C(=O)[O-] ZINC000914576765 654855404 /nfs/dbraw/zinc/85/54/04/654855404.db2.gz YYYVMRVLEJZVLO-UHFFFAOYSA-N -1 1 380.209 2.235 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)c1F ZINC000914999830 654860202 /nfs/dbraw/zinc/86/02/02/654860202.db2.gz CFZURZDEEUPZDC-SCZZXKLOSA-N -1 1 382.251 2.300 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000915222563 654866070 /nfs/dbraw/zinc/86/60/70/654866070.db2.gz KYHVSFRNZJRJPX-UHFFFAOYSA-N -1 1 384.523 2.025 20 0 GEADMM CC(C)N(C(=O)[C@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O)C(C)C ZINC000915902937 654882180 /nfs/dbraw/zinc/88/21/80/654882180.db2.gz NUOQTWOUUNMOHN-NSHDSACASA-N -1 1 376.500 2.310 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1CC12CCOCC2 ZINC000916109383 654888641 /nfs/dbraw/zinc/88/86/41/654888641.db2.gz FONMYQPUGUBJEY-OIRASMEMSA-N -1 1 398.428 2.437 20 0 GEADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccc(I)cc1)c1nn[n-]n1 ZINC000935365648 654889632 /nfs/dbraw/zinc/88/96/32/654889632.db2.gz JVVJYBUBIFCPRT-UWVGGRQHSA-N -1 1 399.236 2.170 20 0 GEADMM CN(C)c1noc(C[N-]C(=O)C(F)(F)c2cccc(Br)c2)n1 ZINC000935455141 654894628 /nfs/dbraw/zinc/89/46/28/654894628.db2.gz CQQJZEJEVONHAN-UHFFFAOYSA-N -1 1 375.173 2.306 20 0 GEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000935456711 654894652 /nfs/dbraw/zinc/89/46/52/654894652.db2.gz KJQOZBGECKLTBT-JTQLQIEISA-N -1 1 389.815 2.270 20 0 GEADMM O=C(c1nc(Br)c2ccccn21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000935795480 654917477 /nfs/dbraw/zinc/91/74/77/654917477.db2.gz YVOQKWUVUYJAKV-SECBINFHSA-N -1 1 392.213 2.205 20 0 GEADMM CN1CC[C@H](N2CCC(NC(=O)c3cc(Cl)cc(Cl)c3[O-])CC2)C1=O ZINC000935971240 654931100 /nfs/dbraw/zinc/93/11/00/654931100.db2.gz HNVQMKIQYFLLPO-AWEZNQCLSA-N -1 1 386.279 2.124 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc(Br)s2)c1 ZINC000151651737 531513268 /nfs/dbraw/zinc/51/32/68/531513268.db2.gz YKAIMLGNLWZFAF-UHFFFAOYSA-N -1 1 394.268 2.411 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(F)cc(Br)c2)c1 ZINC000152034348 531527330 /nfs/dbraw/zinc/52/73/30/531527330.db2.gz VNFNIOQLJCAZGQ-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000007708244 531542820 /nfs/dbraw/zinc/54/28/20/531542820.db2.gz JYALTZOUEFENCB-UHFFFAOYSA-N -1 1 380.369 2.154 20 0 GEADMM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000013360294 531560541 /nfs/dbraw/zinc/56/05/41/531560541.db2.gz ZBWJFSBLSOCWNE-UHFFFAOYSA-N -1 1 382.825 2.345 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000023390883 531598466 /nfs/dbraw/zinc/59/84/66/531598466.db2.gz UNSXXZCHVPHOPY-UHFFFAOYSA-N -1 1 380.369 2.154 20 0 GEADMM O=C1CNC(=O)N1Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000028253868 531631040 /nfs/dbraw/zinc/63/10/40/531631040.db2.gz QQCWXEOFLFZEDK-UHFFFAOYSA-N -1 1 379.825 2.193 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 ZINC000055549556 531793921 /nfs/dbraw/zinc/79/39/21/531793921.db2.gz FIBCIZMUNFEHMQ-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)cc1Cl ZINC000055589223 531796183 /nfs/dbraw/zinc/79/61/83/531796183.db2.gz UDACZTVMCIVNRF-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCOc2ccc(Cl)cc2C)o1 ZINC000056448057 531813426 /nfs/dbraw/zinc/81/34/26/531813426.db2.gz GFBNLMFBLUHHNB-UHFFFAOYSA-N -1 1 386.857 2.348 20 0 GEADMM CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000060341718 531840883 /nfs/dbraw/zinc/84/08/83/531840883.db2.gz JAUHMFLLKGIGPS-UHFFFAOYSA-N -1 1 389.886 2.091 20 0 GEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000060800359 531847360 /nfs/dbraw/zinc/84/73/60/531847360.db2.gz PGZCHNMBJJESDW-UHFFFAOYSA-N -1 1 387.410 2.037 20 0 GEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000067124167 531877582 /nfs/dbraw/zinc/87/75/82/531877582.db2.gz XTGJGGYXWSLRQS-UHFFFAOYSA-N -1 1 384.255 2.418 20 0 GEADMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000068216442 531902385 /nfs/dbraw/zinc/90/23/85/531902385.db2.gz FLCMDYJKQLMVIC-UHFFFAOYSA-N -1 1 395.234 2.442 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ccc([S@](C)=O)c(F)c2)c(=O)[n-]1 ZINC000173217879 531996465 /nfs/dbraw/zinc/99/64/65/531996465.db2.gz WRBQTAKOGXINRA-VWLOTQADSA-N -1 1 383.470 2.248 20 0 GEADMM O=C(NCCCO)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000121189023 532016217 /nfs/dbraw/zinc/01/62/17/532016217.db2.gz OCNRFVFQEMBFQP-UHFFFAOYSA-N -1 1 386.832 2.392 20 0 GEADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000122821783 532084651 /nfs/dbraw/zinc/08/46/51/532084651.db2.gz CHRNZBMQWJUMGP-DEOSSOPVSA-N -1 1 378.475 2.455 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCN1C1CCCCC1 ZINC000123047425 532090126 /nfs/dbraw/zinc/09/01/26/532090126.db2.gz DGKLLZBLAKRCGH-GFCCVEGCSA-N -1 1 376.400 2.316 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1)c1cccc(Br)c1 ZINC000123634576 532104126 /nfs/dbraw/zinc/10/41/26/532104126.db2.gz OTHZXPCWESRQIX-UHFFFAOYSA-N -1 1 380.227 2.430 20 0 GEADMM C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[S@@](C)=O ZINC000123962898 532111839 /nfs/dbraw/zinc/11/18/39/532111839.db2.gz YVBSCENKHDZTGU-IIYDVTGLSA-N -1 1 390.271 2.163 20 0 GEADMM CCOC[C@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000175854681 532116762 /nfs/dbraw/zinc/11/67/62/532116762.db2.gz LZQZGPYJHQIEBW-JTQLQIEISA-N -1 1 375.206 2.495 20 0 GEADMM Cc1ccc(OCCC(=O)N(C)C[C@H](C)c2nn[n-]n2)c(Br)c1 ZINC000124208806 532117301 /nfs/dbraw/zinc/11/73/01/532117301.db2.gz NYYLUOCOPJTIMD-NSHDSACASA-N -1 1 382.262 2.302 20 0 GEADMM C[C@@H](CN(C)C(=O)c1cnn(-c2cccc(Br)c2)c1)c1nn[n-]n1 ZINC000124404749 532120741 /nfs/dbraw/zinc/12/07/41/532120741.db2.gz XZMQXLQLOQGLKZ-JTQLQIEISA-N -1 1 390.245 2.024 20 0 GEADMM NC(=O)C1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCCCC1 ZINC000175693135 532112326 /nfs/dbraw/zinc/11/23/26/532112326.db2.gz URGNAIXMXLALKG-UHFFFAOYSA-N -1 1 379.251 2.055 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)o1 ZINC000176217421 532129384 /nfs/dbraw/zinc/12/93/84/532129384.db2.gz NYXIBDASVYDORU-LLVKDONJSA-N -1 1 382.463 2.127 20 0 GEADMM C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176291621 532133372 /nfs/dbraw/zinc/13/33/72/532133372.db2.gz RHJCPFUEACUCOY-SNVBAGLBSA-N -1 1 390.709 2.174 20 0 GEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)c(Cl)c2)c1 ZINC000176458271 532138120 /nfs/dbraw/zinc/13/81/20/532138120.db2.gz MXSXRXODBKLNSF-UHFFFAOYSA-N -1 1 382.869 2.425 20 0 GEADMM Cc1nsc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n1 ZINC000176646893 532144724 /nfs/dbraw/zinc/14/47/24/532144724.db2.gz DMSXCYQIZOEAKA-UHFFFAOYSA-N -1 1 383.271 2.277 20 0 GEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@]2(O)CCSC2)cc1 ZINC000176712879 532146061 /nfs/dbraw/zinc/14/60/61/532146061.db2.gz UTDKLMRRWXKALH-QGZVFWFLSA-N -1 1 378.523 2.290 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1sccc1Br)c1ccccc1 ZINC000126480560 532148193 /nfs/dbraw/zinc/14/81/93/532148193.db2.gz MLPYGBHXLJTQGY-UHFFFAOYSA-N -1 1 389.296 2.219 20 0 GEADMM CCC[C@H](NC(=O)c1ccc(C)c(I)c1)c1nn[n-]n1 ZINC000176750934 532148975 /nfs/dbraw/zinc/14/89/75/532148975.db2.gz GKQMKWAVQHBOFM-NSHDSACASA-N -1 1 385.209 2.384 20 0 GEADMM CCCN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000127932478 532158805 /nfs/dbraw/zinc/15/88/05/532158805.db2.gz CNQWSDFDFBTNRO-LLVKDONJSA-N -1 1 376.272 2.194 20 0 GEADMM O=C(CSc1cccc(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129506646 532179721 /nfs/dbraw/zinc/17/97/21/532179721.db2.gz DYNSRQGFNKAGCY-JTQLQIEISA-N -1 1 382.287 2.461 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129274912 532176400 /nfs/dbraw/zinc/17/64/00/532176400.db2.gz XCPSSHPOTBPFPH-QWRGUYRKSA-N -1 1 380.246 2.136 20 0 GEADMM Cc1cc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)n[nH]1 ZINC000130114926 532188601 /nfs/dbraw/zinc/18/86/01/532188601.db2.gz YKBUBDOLJQUQMX-UHFFFAOYSA-N -1 1 377.451 2.157 20 0 GEADMM CCOC(=O)C[C@@H](C)NC(=O)c1cc(I)ccc1[O-] ZINC000178041781 532190277 /nfs/dbraw/zinc/19/02/77/532190277.db2.gz CSYBVERJTZKYGJ-MRVPVSSYSA-N -1 1 377.178 2.068 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1c(F)cccc1Cl)c1c(F)cccc1F ZINC000132064931 532208558 /nfs/dbraw/zinc/20/85/58/532208558.db2.gz RGBCWFYAZMJJCA-UHFFFAOYSA-N -1 1 392.786 2.466 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000178676671 532208822 /nfs/dbraw/zinc/20/88/22/532208822.db2.gz ZYZCSCCQZNUTSN-CYBMUJFWSA-N -1 1 397.806 2.110 20 0 GEADMM CN(Cc1nnc[nH]1)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000179396941 532229548 /nfs/dbraw/zinc/22/95/48/532229548.db2.gz SAZOYARIWMWGPP-UHFFFAOYSA-N -1 1 390.035 2.308 20 0 GEADMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000133932379 532245936 /nfs/dbraw/zinc/24/59/36/532245936.db2.gz VJUOOESFKQCOTK-UHFFFAOYSA-N -1 1 377.447 2.002 20 0 GEADMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000134349879 532255292 /nfs/dbraw/zinc/25/52/92/532255292.db2.gz HDJCHBAJWROHPS-NHYWBVRUSA-N -1 1 394.269 2.474 20 0 GEADMM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000135102749 532266917 /nfs/dbraw/zinc/26/69/17/532266917.db2.gz KYQKXTSJPPRVTL-YFKPBYRVSA-N -1 1 390.086 2.298 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2OCC(F)F)o1 ZINC000180786715 532280655 /nfs/dbraw/zinc/28/06/55/532280655.db2.gz YAUXZTPXQLRQCT-UHFFFAOYSA-N -1 1 378.328 2.223 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1c(C)nc2sc(C)cn12 ZINC000180798912 532281609 /nfs/dbraw/zinc/28/16/09/532281609.db2.gz QTHGARUFTFGVBI-UHFFFAOYSA-N -1 1 377.495 2.398 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cs2)c1 ZINC000181034236 532289430 /nfs/dbraw/zinc/28/94/30/532289430.db2.gz SRRDUUFKPZXBSC-UHFFFAOYSA-N -1 1 377.241 2.116 20 0 GEADMM Cc1c(Br)c2ccccc2n1CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183412296 532324793 /nfs/dbraw/zinc/32/47/93/532324793.db2.gz XXVYAQFGAWDKKE-JTQLQIEISA-N -1 1 391.273 2.487 20 0 GEADMM CCC[C@@H](N[C@H](C)C(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000185041933 532336725 /nfs/dbraw/zinc/33/67/25/532336725.db2.gz UWPMZOOPBPDLMF-BXKDBHETSA-N -1 1 390.221 2.461 20 0 GEADMM Cc1cc(N2CC[C@H](NC(=O)c3cncc([O-])c3)C2=O)ccc1Br ZINC000185493470 532337902 /nfs/dbraw/zinc/33/79/02/532337902.db2.gz RZCZXYIDDWXTDO-HNNXBMFYSA-N -1 1 390.237 2.393 20 0 GEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)c1 ZINC000184676169 532334350 /nfs/dbraw/zinc/33/43/50/532334350.db2.gz LKRUNOPIPNCKOY-UHFFFAOYSA-N -1 1 380.491 2.372 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc(Cl)c1F ZINC000184979149 532336372 /nfs/dbraw/zinc/33/63/72/532336372.db2.gz HJLWRSDSSZKZQK-JTQLQIEISA-N -1 1 376.837 2.036 20 0 GEADMM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000188252037 532347475 /nfs/dbraw/zinc/34/74/75/532347475.db2.gz WMTKNNCHOLGIPU-UHFFFAOYSA-N -1 1 376.406 2.016 20 0 GEADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1 ZINC000188423742 532348199 /nfs/dbraw/zinc/34/81/99/532348199.db2.gz LAQDPMMUMYRTIK-UHFFFAOYSA-N -1 1 399.266 2.489 20 0 GEADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(I)ccc1[O-] ZINC000189361137 532351939 /nfs/dbraw/zinc/35/19/39/532351939.db2.gz NRTQLWAYQUHZCC-SECBINFHSA-N -1 1 391.205 2.409 20 0 GEADMM O=C(N[C@H](CO)c1ccccc1)c1cc(I)ccc1[O-] ZINC000189908958 532354078 /nfs/dbraw/zinc/35/40/78/532354078.db2.gz TVKYIMVUNVNPFB-CYBMUJFWSA-N -1 1 383.185 2.460 20 0 GEADMM O=S(=O)([N-]CCn1ccnc1)c1cc(Cl)c(Br)cc1F ZINC000190636202 532357171 /nfs/dbraw/zinc/35/71/71/532357171.db2.gz XZALFEYWGHTUTP-UHFFFAOYSA-N -1 1 382.642 2.417 20 0 GEADMM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190649110 532357275 /nfs/dbraw/zinc/35/72/75/532357275.db2.gz CPVOHXNBIKSQLO-SNVBAGLBSA-N -1 1 399.669 2.189 20 0 GEADMM O=C([O-])C[C@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCO1 ZINC000191008855 532359170 /nfs/dbraw/zinc/35/91/70/532359170.db2.gz MUUBJAKPCVQARE-NSHDSACASA-N -1 1 394.225 2.155 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)c(C(F)(F)F)n1 ZINC000425199088 532372303 /nfs/dbraw/zinc/37/23/03/532372303.db2.gz YVCPXKORVGTERZ-UHFFFAOYSA-N -1 1 389.346 2.112 20 0 GEADMM C[C@@H](O)C1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000191914846 532373113 /nfs/dbraw/zinc/37/31/13/532373113.db2.gz FBOSCQVQBIMKDH-SECBINFHSA-N -1 1 375.206 2.230 20 0 GEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3occc3Br)CC2)n1 ZINC000277660162 532362099 /nfs/dbraw/zinc/36/20/99/532362099.db2.gz IXCHTZBGINETQX-UHFFFAOYSA-N -1 1 397.229 2.357 20 0 GEADMM Cc1cc(N2C[C@H](C(=O)[N-]OC[C@H]3CCOC3)CC2=O)ccc1Br ZINC000191800578 532368118 /nfs/dbraw/zinc/36/81/18/532368118.db2.gz OFORDXDQPOGHMJ-QWHCGFSZSA-N -1 1 397.269 2.195 20 0 GEADMM Cc1nc(CN2CCC[C@@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)C2)no1 ZINC000372058408 532369671 /nfs/dbraw/zinc/36/96/71/532369671.db2.gz QJQKHUWHPVULMK-LLVKDONJSA-N -1 1 388.852 2.113 20 0 GEADMM O=C(NCCO[C@@H]1CCCCO1)c1ccc(I)c([O-])c1 ZINC000590386510 532370022 /nfs/dbraw/zinc/37/00/22/532370022.db2.gz XWMGQTOLQGIWQQ-CYBMUJFWSA-N -1 1 391.205 2.270 20 0 GEADMM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000647902142 532383972 /nfs/dbraw/zinc/38/39/72/532383972.db2.gz BKNJEFWRTGANIL-ZYHUDNBSSA-N -1 1 377.388 2.262 20 0 GEADMM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000647902141 532384510 /nfs/dbraw/zinc/38/45/10/532384510.db2.gz BKNJEFWRTGANIL-PWSUYJOCSA-N -1 1 377.388 2.262 20 0 GEADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1-c1nnc[nH]1 ZINC000372325443 532385063 /nfs/dbraw/zinc/38/50/63/532385063.db2.gz OKUQICNINDLQSK-UHFFFAOYSA-N -1 1 378.435 2.429 20 0 GEADMM O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1c([O-])cccc1F ZINC000516990717 532400665 /nfs/dbraw/zinc/40/06/65/532400665.db2.gz NLOVTNDKZKBCKL-LLVKDONJSA-N -1 1 384.454 2.176 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)COC1CCCC1)c1ccsc1 ZINC000559070526 532400963 /nfs/dbraw/zinc/40/09/63/532400963.db2.gz BMGYLAJOBULLSJ-WFASDCNBSA-N -1 1 375.512 2.477 20 0 GEADMM CCOC1(CS(=O)(=O)[N-][C@@H](COC)c2ccc(CC)o2)CCOCC1 ZINC000625011872 532404697 /nfs/dbraw/zinc/40/46/97/532404697.db2.gz DUSQKRBHTYZCHQ-HNNXBMFYSA-N -1 1 375.487 2.035 20 0 GEADMM O=C(Nc1nnn[n-]1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000559887948 532405872 /nfs/dbraw/zinc/40/58/72/532405872.db2.gz KNNPAWIAUBJIAA-UHFFFAOYSA-N -1 1 384.209 2.079 20 0 GEADMM O=C(Nc1nn[n-]n1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000559887948 532405878 /nfs/dbraw/zinc/40/58/78/532405878.db2.gz KNNPAWIAUBJIAA-UHFFFAOYSA-N -1 1 384.209 2.079 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@H]1CCCOC1 ZINC000560037464 532409833 /nfs/dbraw/zinc/40/98/33/532409833.db2.gz OGEWYHZHMWKKKT-IINYFYTJSA-N -1 1 379.837 2.116 20 0 GEADMM CN(Cc1ccc(Br)c(F)c1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000427171406 532414125 /nfs/dbraw/zinc/41/41/25/532414125.db2.gz QTHFCXNUDBJDDE-UHFFFAOYSA-N -1 1 396.216 2.077 20 0 GEADMM Cc1cnc([C@@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000427275211 532418624 /nfs/dbraw/zinc/41/86/24/532418624.db2.gz RUBPKUMGTFWADS-SECBINFHSA-N -1 1 393.487 2.002 20 0 GEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C12CCOCC2 ZINC000681157099 532421781 /nfs/dbraw/zinc/42/17/81/532421781.db2.gz RKRVHYWYNNHUMC-QWRGUYRKSA-N -1 1 394.287 2.295 20 0 GEADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)[nH]c2c1 ZINC000427632325 532428428 /nfs/dbraw/zinc/42/84/28/532428428.db2.gz VOPDLOHVYDMRBE-UHFFFAOYSA-N -1 1 383.426 2.215 20 0 GEADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[nH]c2c1 ZINC000427628508 532428713 /nfs/dbraw/zinc/42/87/13/532428713.db2.gz IBTGWUHVMKMKCG-UHFFFAOYSA-N -1 1 379.463 2.217 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)cc1 ZINC000427644412 532428837 /nfs/dbraw/zinc/42/88/37/532428837.db2.gz IHLJKJLHVRENLJ-UHFFFAOYSA-N -1 1 379.463 2.466 20 0 GEADMM O=C([N-]CC1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1)C(F)(F)F ZINC000281612306 532427028 /nfs/dbraw/zinc/42/70/28/532427028.db2.gz FETVSFOSIRVTDB-CYBMUJFWSA-N -1 1 378.778 2.291 20 0 GEADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)c1 ZINC000650173813 532441004 /nfs/dbraw/zinc/44/10/04/532441004.db2.gz WLNSGKIAUSURQU-UHFFFAOYSA-N -1 1 381.475 2.452 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)c1 ZINC000428022070 532441528 /nfs/dbraw/zinc/44/15/28/532441528.db2.gz PVSNMGCWULIWEG-UHFFFAOYSA-N -1 1 398.853 2.397 20 0 GEADMM CO[C@H](C)CS(=O)(=O)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000282160054 532446606 /nfs/dbraw/zinc/44/66/06/532446606.db2.gz KZOAKBMWDANQNW-CYBMUJFWSA-N -1 1 385.463 2.231 20 0 GEADMM C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000650426593 532446708 /nfs/dbraw/zinc/44/67/08/532446708.db2.gz OCYJDKCUXMDHBG-ZCFIWIBFSA-N -1 1 384.198 2.259 20 0 GEADMM CCCSc1nc(=NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s[n-]1 ZINC000467458941 532448499 /nfs/dbraw/zinc/44/84/99/532448499.db2.gz OVTXQAACLQPEOK-NSHDSACASA-N -1 1 375.483 2.491 20 0 GEADMM COC(=O)c1nc([C@@H]2CCCN2CCC[N-]C(=O)C(F)(F)F)sc1C ZINC000373503050 532454456 /nfs/dbraw/zinc/45/44/56/532454456.db2.gz QIVNSXQQJTWIJQ-JTQLQIEISA-N -1 1 379.404 2.444 20 0 GEADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629210146 532482354 /nfs/dbraw/zinc/48/23/54/532482354.db2.gz KBYWNBTWTUGDNX-DTORHVGOSA-N -1 1 378.226 2.039 20 0 GEADMM Cc1oc(S(N)(=O)=O)cc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000684881676 532485490 /nfs/dbraw/zinc/48/54/90/532485490.db2.gz KEUJPWOTZKJMTC-PLNGDYQASA-N -1 1 380.407 2.103 20 0 GEADMM Cc1cnc(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)c([O-])c1 ZINC000430139064 532490839 /nfs/dbraw/zinc/49/08/39/532490839.db2.gz JDMXQOWYNGXWPE-CYBMUJFWSA-N -1 1 379.254 2.439 20 0 GEADMM COCC1(CS(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CCC1 ZINC000651737943 532492151 /nfs/dbraw/zinc/49/21/51/532492151.db2.gz VYXNSDSIABXUMF-GXTWGEPZSA-N -1 1 375.512 2.057 20 0 GEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000593650982 532493026 /nfs/dbraw/zinc/49/30/26/532493026.db2.gz NNHZHZXCHMSZLY-LBPRGKRZSA-N -1 1 377.409 2.134 20 0 GEADMM CO[C@@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@@H]1OC ZINC000685833061 532497331 /nfs/dbraw/zinc/49/73/31/532497331.db2.gz FHXKXMRDKRLCKF-BETUJISGSA-N -1 1 381.226 2.189 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000685492656 532495338 /nfs/dbraw/zinc/49/53/38/532495338.db2.gz QYBNHJUNZPVZPY-UHFFFAOYSA-N -1 1 385.873 2.245 20 0 GEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1C ZINC000520640814 532496620 /nfs/dbraw/zinc/49/66/20/532496620.db2.gz NITFPSKCBPAMDI-XMMPIXPASA-N -1 1 381.475 2.461 20 0 GEADMM O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000521033662 532502984 /nfs/dbraw/zinc/50/29/84/532502984.db2.gz VFODHUHUGXZSPP-QMMMGPOBSA-N -1 1 392.213 2.434 20 0 GEADMM O=S(=O)([N-]C[C@@H]1C[C@H](F)CN1c1cccnn1)c1ccc(Cl)cc1F ZINC000374441888 532504119 /nfs/dbraw/zinc/50/41/19/532504119.db2.gz IMGBGQGBTYFFAT-RYUDHWBXSA-N -1 1 388.827 2.164 20 0 GEADMM C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282903315 532505994 /nfs/dbraw/zinc/50/59/94/532505994.db2.gz LWIXYIIVUHWUIO-GHMZBOCLSA-N -1 1 395.257 2.034 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](C)Cn2cccn2)c1F ZINC000594455769 532506288 /nfs/dbraw/zinc/50/62/88/532506288.db2.gz CWZPKNMLJDYYPM-JTQLQIEISA-N -1 1 389.836 2.077 20 0 GEADMM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431159237 532506591 /nfs/dbraw/zinc/50/65/91/532506591.db2.gz GZYQTTSFPDSPOZ-UHFFFAOYSA-N -1 1 394.396 2.155 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1F ZINC000594453927 532507123 /nfs/dbraw/zinc/50/71/23/532507123.db2.gz VZNPYNXAXSDJDK-CUOATXAZSA-N -1 1 391.848 2.358 20 0 GEADMM O=S(=O)([N-]c1ccncc1I)c1cccc(F)c1F ZINC000469742493 532510245 /nfs/dbraw/zinc/51/02/45/532510245.db2.gz SOUWZLVZLFFVTL-UHFFFAOYSA-N -1 1 396.156 2.187 20 0 GEADMM COc1cnc([N-]S(=O)(=O)c2cccc3c2OCO3)c(Br)c1 ZINC000521307606 532511302 /nfs/dbraw/zinc/51/13/02/532511302.db2.gz HZIGPDMTQPBZDH-UHFFFAOYSA-N -1 1 387.211 2.382 20 0 GEADMM Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000374721154 532516095 /nfs/dbraw/zinc/51/60/95/532516095.db2.gz RTHDBKLQMDBAPV-UHFFFAOYSA-N -1 1 390.296 2.069 20 0 GEADMM CN(C)c1noc(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000652506470 532516302 /nfs/dbraw/zinc/51/63/02/532516302.db2.gz WIFUUWHHZWBTSA-QWHCGFSZSA-N -1 1 395.257 2.198 20 0 GEADMM CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000431593725 532517399 /nfs/dbraw/zinc/51/73/99/532517399.db2.gz BGRFZLSOMHIINF-HAQNSBGRSA-N -1 1 378.491 2.444 20 0 GEADMM C[C@@H](CO)C1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000593829046 532497570 /nfs/dbraw/zinc/49/75/70/532497570.db2.gz BHTISIDTUQLWLK-JTQLQIEISA-N -1 1 389.233 2.477 20 0 GEADMM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000521832128 532519385 /nfs/dbraw/zinc/51/93/85/532519385.db2.gz HQPASOMHYJRHSG-SMDDNHRTSA-N -1 1 383.267 2.446 20 0 GEADMM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H](C2CC2)N1 ZINC000375141470 532537086 /nfs/dbraw/zinc/53/70/86/532537086.db2.gz HPIRKCHHBDIXQW-OTYXRUKQSA-N -1 1 381.256 2.468 20 0 GEADMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000594864273 532538520 /nfs/dbraw/zinc/53/85/20/532538520.db2.gz DVCYJYUDFHGNGY-GFCCVEGCSA-N -1 1 386.214 2.158 20 0 GEADMM Cc1nc2nc(S(=O)(=O)Cc3ncnn3C(C)C)[n-]c2cc1Br ZINC000432644380 532543921 /nfs/dbraw/zinc/54/39/21/532543921.db2.gz SCCSLJVDWXHJLR-UHFFFAOYSA-N -1 1 399.274 2.175 20 0 GEADMM Cc1[n-]c2nc(S(=O)(=O)Cc3ncnn3C(C)C)nc-2cc1Br ZINC000432644380 532543933 /nfs/dbraw/zinc/54/39/33/532543933.db2.gz SCCSLJVDWXHJLR-UHFFFAOYSA-N -1 1 399.274 2.175 20 0 GEADMM CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCOC1 ZINC000652818309 532521558 /nfs/dbraw/zinc/52/15/58/532521558.db2.gz DFUXNZDWRSQAPU-LLVKDONJSA-N -1 1 395.308 2.299 20 0 GEADMM CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCOC1 ZINC000652818310 532522372 /nfs/dbraw/zinc/52/23/72/532522372.db2.gz DFUXNZDWRSQAPU-NSHDSACASA-N -1 1 395.308 2.299 20 0 GEADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000594763366 532523150 /nfs/dbraw/zinc/52/31/50/532523150.db2.gz PYGBEQNYAXGNJY-JHTDMNASSA-N -1 1 395.344 2.202 20 0 GEADMM CCC[C@H](C[N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC ZINC000594772873 532525447 /nfs/dbraw/zinc/52/54/47/532525447.db2.gz YXNTZFKZNQOIBE-SNVBAGLBSA-N -1 1 379.276 2.102 20 0 GEADMM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(C)C ZINC000594792784 532529952 /nfs/dbraw/zinc/52/99/52/532529952.db2.gz BWBJUUBFSUQSMC-GFCCVEGCSA-N -1 1 393.303 2.489 20 0 GEADMM COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2ncccc2[O-])c1 ZINC000296880584 532550718 /nfs/dbraw/zinc/55/07/18/532550718.db2.gz KMRUODSMCXTZDO-CYBMUJFWSA-N -1 1 381.226 2.364 20 0 GEADMM O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(Br)cc1[O-] ZINC000283724057 532552753 /nfs/dbraw/zinc/55/27/53/532552753.db2.gz VNPVGTBMNSDODJ-NHYWBVRUSA-N -1 1 384.270 2.452 20 0 GEADMM CCC(=O)N1CC[C@@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000565570616 532569776 /nfs/dbraw/zinc/56/97/76/532569776.db2.gz XITKVBRZNCAVIK-SNVBAGLBSA-N -1 1 392.253 2.444 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)o1 ZINC000471874349 532560157 /nfs/dbraw/zinc/56/01/57/532560157.db2.gz GALTXWVFROQQDZ-NSHDSACASA-N -1 1 375.443 2.101 20 0 GEADMM CCC(NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)(C1CC1)C1CC1 ZINC000528488935 532565109 /nfs/dbraw/zinc/56/51/09/532565109.db2.gz JKZJYZBFOFXWCY-UHFFFAOYSA-N -1 1 390.502 2.444 20 0 GEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ncccc3Br)ccc2[nH]1 ZINC000433372841 532566589 /nfs/dbraw/zinc/56/65/89/532566589.db2.gz IQQALPXYKOFLDZ-UHFFFAOYSA-N -1 1 380.223 2.486 20 0 GEADMM O=C(COc1ccc2ccccc2c1Br)NC1(c2nn[n-]n2)CC1 ZINC000473391536 532589665 /nfs/dbraw/zinc/58/96/65/532589665.db2.gz WIINHMFITTYNBQ-UHFFFAOYSA-N -1 1 388.225 2.300 20 0 GEADMM COc1ccccc1[C@H]([N-]S(=O)(=O)CCC(C)(F)F)c1noc(C)n1 ZINC000631965749 532570366 /nfs/dbraw/zinc/57/03/66/532570366.db2.gz HFGGRZADSQWQOK-ZDUSSCGKSA-N -1 1 375.397 2.441 20 0 GEADMM CO[C@@H](C(=O)NC1(c2nn[n-]n2)CCCC1)c1ccccc1Br ZINC000654806553 532570453 /nfs/dbraw/zinc/57/04/53/532570453.db2.gz BUNPXUUGSQDWGH-GFCCVEGCSA-N -1 1 380.246 2.235 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(F)cc1Cl ZINC000375680161 532574606 /nfs/dbraw/zinc/57/46/06/532574606.db2.gz PGULDRPBQBWJQG-MCCGJVOXSA-N -1 1 391.848 2.358 20 0 GEADMM CO[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccccc1Br ZINC000654944461 532575906 /nfs/dbraw/zinc/57/59/06/532575906.db2.gz VFHGOUKYPIPPDY-MFKMUULPSA-N -1 1 380.246 2.056 20 0 GEADMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(Br)c([O-])c1 ZINC000655198253 532578681 /nfs/dbraw/zinc/57/86/81/532578681.db2.gz ADXAATHOITXCSR-NSHDSACASA-N -1 1 386.164 2.167 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C2CC2)c(F)cc1Cl ZINC000375719663 532580133 /nfs/dbraw/zinc/58/01/33/532580133.db2.gz XRFPPIFMBBWOGE-TZMCWYRMSA-N -1 1 377.821 2.112 20 0 GEADMM Cc1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@@H]3[C@@H]2C(=O)[O-])c1Cl ZINC000376643916 532622170 /nfs/dbraw/zinc/62/21/70/532622170.db2.gz PBEDTOOUXGDZET-DGCLKSJQSA-N -1 1 393.292 2.224 20 0 GEADMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435435486 532618114 /nfs/dbraw/zinc/61/81/14/532618114.db2.gz YCLAKJVDALHGJO-SSDOTTSWSA-N -1 1 378.274 2.234 20 0 GEADMM Cn1cc([C@@H]2C[C@H]([N-]S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)cn1 ZINC000632530733 532621107 /nfs/dbraw/zinc/62/11/07/532621107.db2.gz VDNDHUVYXQTAMV-YGRLFVJLSA-N -1 1 375.372 2.036 20 0 GEADMM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2ccccc2OC(F)(F)F)sn1 ZINC000632295664 532599440 /nfs/dbraw/zinc/59/94/40/532599440.db2.gz RQHVLKANMCFZMS-SNVBAGLBSA-N -1 1 382.385 2.362 20 0 GEADMM CO[C@H](C[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-])C1CC1 ZINC000656165911 532606718 /nfs/dbraw/zinc/60/67/18/532606718.db2.gz AMLYDJCCRVPMRP-GHMZBOCLSA-N -1 1 383.800 2.165 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1NC(N)=O ZINC000474309562 532612276 /nfs/dbraw/zinc/61/22/76/532612276.db2.gz IQEFZKRFVVAEOG-UHFFFAOYSA-N -1 1 375.328 2.404 20 0 GEADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000263084004 532613516 /nfs/dbraw/zinc/61/35/16/532613516.db2.gz ICTKBBYGFNBJOP-ZANVPECISA-N -1 1 390.221 2.319 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O)C1CCCCC1 ZINC000656615698 532623014 /nfs/dbraw/zinc/62/30/14/532623014.db2.gz DNAAVKSNUCKDLT-INIZCTEOSA-N -1 1 390.527 2.395 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(F)c1)[C@H]1CCOC1 ZINC000656624540 532625201 /nfs/dbraw/zinc/62/52/01/532625201.db2.gz PASHPRDLCRPJGU-TVQRCGJNSA-N -1 1 382.251 2.381 20 0 GEADMM COc1cc(Br)cc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1 ZINC000656626317 532626458 /nfs/dbraw/zinc/62/64/58/532626458.db2.gz KIBVMTDFGQOXIH-HZMBPMFUSA-N -1 1 394.287 2.251 20 0 GEADMM COc1cccc([C@H](C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)OC)c1 ZINC000632589259 532627167 /nfs/dbraw/zinc/62/71/67/532627167.db2.gz JJPFMYWLWJSVNH-NSHDSACASA-N -1 1 379.360 2.103 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(S(C)(=O)=O)c1)C1CCCC1 ZINC000656630693 532627566 /nfs/dbraw/zinc/62/75/66/532627566.db2.gz CZYAGVHOAVIUPF-AWEZNQCLSA-N -1 1 379.475 2.176 20 0 GEADMM Cn1c(NC(=O)c2ccc(I)c([O-])c2)nnc1C1CC1 ZINC000597899207 532631453 /nfs/dbraw/zinc/63/14/53/532631453.db2.gz WHOWJWOJKHRCGQ-UHFFFAOYSA-N -1 1 384.177 2.255 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000285081908 532646171 /nfs/dbraw/zinc/64/61/71/532646171.db2.gz MKQWZWANGLWFII-NSHDSACASA-N -1 1 387.454 2.392 20 0 GEADMM Cc1cc(Br)cc2c(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)coc21 ZINC000474872150 532631807 /nfs/dbraw/zinc/63/18/07/532631807.db2.gz IVAQNLIBSLOXJR-UHFFFAOYSA-N -1 1 399.226 2.278 20 0 GEADMM Cc1cc(Br)cc2c(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)coc21 ZINC000474872150 532631812 /nfs/dbraw/zinc/63/18/12/532631812.db2.gz IVAQNLIBSLOXJR-UHFFFAOYSA-N -1 1 399.226 2.278 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)o1 ZINC000566990152 532633924 /nfs/dbraw/zinc/63/39/24/532633924.db2.gz QERJOUVVCUBJSY-UHFFFAOYSA-N -1 1 377.191 2.342 20 0 GEADMM COC(=O)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])C1CCOCC1 ZINC000436554644 532637063 /nfs/dbraw/zinc/63/70/63/532637063.db2.gz GSUXZMNLBREXGR-ZDUSSCGKSA-N -1 1 386.242 2.100 20 0 GEADMM O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(Br)cc1[O-] ZINC000436565456 532637179 /nfs/dbraw/zinc/63/71/79/532637179.db2.gz MRXMDYWHYUROFT-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM CCCN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)CC1 ZINC000377014872 532637233 /nfs/dbraw/zinc/63/72/33/532637233.db2.gz UQYJPANZYCYKDE-UHFFFAOYSA-N -1 1 390.889 2.153 20 0 GEADMM O=C(NCCc1nnnn1-c1ccccc1)c1cc(Br)ccc1[O-] ZINC000436619684 532639257 /nfs/dbraw/zinc/63/92/57/532639257.db2.gz XDYJAWTZKFQUTL-UHFFFAOYSA-N -1 1 388.225 2.103 20 0 GEADMM CCOC(=O)C(=C([O-])CSc1nnnn1C(C)(C)C)c1nc(C)cs1 ZINC000298306011 532639503 /nfs/dbraw/zinc/63/95/03/532639503.db2.gz LOUYKXBSZPXDNG-NSHDSACASA-N -1 1 383.499 2.201 20 0 GEADMM CCOC(=O)[C@H](NC(=O)c1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000436657881 532641548 /nfs/dbraw/zinc/64/15/48/532641548.db2.gz RVWYRQCHMPNHNJ-QMTHXVAHSA-N -1 1 386.242 2.243 20 0 GEADMM COC(=O)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Br)cc1 ZINC000436685707 532641671 /nfs/dbraw/zinc/64/16/71/532641671.db2.gz DFENOXBWGYPBKU-AWEZNQCLSA-N -1 1 392.205 2.368 20 0 GEADMM O=S(=O)([N-]C[C@H](CCO)c1ccccc1)c1ncccc1Br ZINC000656913787 532645418 /nfs/dbraw/zinc/64/54/18/532645418.db2.gz ILAYBGIDFDAKTM-ZDUSSCGKSA-N -1 1 385.283 2.289 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc(Br)cc1[O-] ZINC000436876760 532645663 /nfs/dbraw/zinc/64/56/63/532645663.db2.gz KGOKBZDYDKTRNG-CQSZACIVSA-N -1 1 393.237 2.454 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000567221738 532645980 /nfs/dbraw/zinc/64/59/80/532645980.db2.gz QARGHZGXBRJDTO-PHDIDXHHSA-N -1 1 386.227 2.006 20 0 GEADMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000599459200 532660855 /nfs/dbraw/zinc/66/08/55/532660855.db2.gz CGGJGLPAPKQTIR-JQWIXIFHSA-N -1 1 379.837 2.116 20 0 GEADMM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cccs1 ZINC000437685111 532661981 /nfs/dbraw/zinc/66/19/81/532661981.db2.gz YVWVEBFXLXBIMJ-UHFFFAOYSA-N -1 1 396.475 2.140 20 0 GEADMM NC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)o1 ZINC000437660345 532662930 /nfs/dbraw/zinc/66/29/30/532662930.db2.gz SHDQEZDNXVNSJM-UHFFFAOYSA-N -1 1 393.222 2.912 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1C ZINC000533497630 532664272 /nfs/dbraw/zinc/66/42/72/532664272.db2.gz JQGVBNQEWXOITM-UHFFFAOYSA-N -1 1 386.499 2.124 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1F ZINC000436995552 532647624 /nfs/dbraw/zinc/64/76/24/532647624.db2.gz QPQMOBZAAGFSSJ-LURJTMIESA-N -1 1 378.223 2.506 20 0 GEADMM COc1ccc(Br)c(CC(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000532282720 532648825 /nfs/dbraw/zinc/64/88/25/532648825.db2.gz IPKDZCWTXYVMMN-UHFFFAOYSA-N -1 1 380.246 2.099 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCc2sc(C)nc2C)c1F ZINC000599229285 532654779 /nfs/dbraw/zinc/65/47/79/532654779.db2.gz UMCJPRPBWSWVKN-UHFFFAOYSA-N -1 1 390.433 2.346 20 0 GEADMM O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ncccc1Br ZINC000656990687 532654990 /nfs/dbraw/zinc/65/49/90/532654990.db2.gz MJBKLTWHAANQOU-CJNGLKHVSA-N -1 1 397.294 2.289 20 0 GEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ncccc2Br)C2CC2)no1 ZINC000656996159 532656376 /nfs/dbraw/zinc/65/63/76/532656376.db2.gz LOSGNMUHFKQCBJ-ZDUSSCGKSA-N -1 1 387.259 2.139 20 0 GEADMM O=C(CSCC(F)(F)F)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000535648444 532683859 /nfs/dbraw/zinc/68/38/59/532683859.db2.gz UVWPWZBVTLYJJG-UHFFFAOYSA-N -1 1 398.428 2.411 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)c1c(C)cnn1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285352266 532672638 /nfs/dbraw/zinc/67/26/38/532672638.db2.gz PSJIZPOQHHKGTO-INIZCTEOSA-N -1 1 385.873 2.139 20 0 GEADMM CNC(=O)COc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000483178991 532674292 /nfs/dbraw/zinc/67/42/92/532674292.db2.gz NCCCOMYKJINMQI-UHFFFAOYSA-N -1 1 393.237 2.210 20 0 GEADMM CNS(=O)(=O)c1csc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000483226313 532674509 /nfs/dbraw/zinc/67/45/09/532674509.db2.gz ADWQPVXKFIATCO-UHFFFAOYSA-N -1 1 378.435 2.004 20 0 GEADMM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(Br)cc1[O-] ZINC000600453974 532675863 /nfs/dbraw/zinc/67/58/63/532675863.db2.gz GEXUYKMKHCJXSL-GWCFXTLKSA-N -1 1 386.242 2.243 20 0 GEADMM O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)C(=O)c1ccc([O-])cc1 ZINC000438919390 532679613 /nfs/dbraw/zinc/67/96/13/532679613.db2.gz NDMGSGUGNFQEGS-GFCCVEGCSA-N -1 1 384.215 2.438 20 0 GEADMM O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298890382 532682815 /nfs/dbraw/zinc/68/28/15/532682815.db2.gz IZVCNAQPEYYLHZ-MRVPVSSYSA-N -1 1 381.223 2.072 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c(C)c1C ZINC000265291471 532691647 /nfs/dbraw/zinc/69/16/47/532691647.db2.gz MCXWFVOJPKDDEZ-UHFFFAOYSA-N -1 1 384.479 2.484 20 0 GEADMM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1C ZINC000439574464 532697088 /nfs/dbraw/zinc/69/70/88/532697088.db2.gz SEYDPGKWSXGJHB-UHFFFAOYSA-N -1 1 386.813 2.354 20 0 GEADMM C[C@@H]1CC(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H](C)C1 ZINC000606908827 532703089 /nfs/dbraw/zinc/70/30/89/532703089.db2.gz BKVGEXIJASNGBR-QWRGUYRKSA-N -1 1 378.491 2.300 20 0 GEADMM COC[C@@]1(C)CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000381785216 532702022 /nfs/dbraw/zinc/70/20/22/532702022.db2.gz RPSWATNBZOBPJY-AWEZNQCLSA-N -1 1 375.206 2.495 20 0 GEADMM Cc1cc(F)ccc1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439282968 532687768 /nfs/dbraw/zinc/68/77/68/532687768.db2.gz YTGYPFCQLFPKCK-UHFFFAOYSA-N -1 1 383.411 2.085 20 0 GEADMM CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000265204751 532689484 /nfs/dbraw/zinc/68/94/84/532689484.db2.gz QMSHLBPVAXAQIZ-UWVGGRQHSA-N -1 1 395.344 2.436 20 0 GEADMM COc1cc(CS(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)sn1 ZINC000641605745 532702810 /nfs/dbraw/zinc/70/28/10/532702810.db2.gz LHUZYHSXORMLHN-NSHDSACASA-N -1 1 388.433 2.461 20 0 GEADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000440273484 532708658 /nfs/dbraw/zinc/70/86/58/532708658.db2.gz RSXHOEXMHLCACB-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM Cc1cc(=O)n2[n-]c(NC(=O)C3(c4cccc(Br)c4)CC3)nc2n1 ZINC000643909608 532710473 /nfs/dbraw/zinc/71/04/73/532710473.db2.gz SHYAIEPAWAWRAC-UHFFFAOYSA-N -1 1 388.225 2.159 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000442758293 532734338 /nfs/dbraw/zinc/73/43/38/532734338.db2.gz ZQBGOWLKLHZGDU-JBCWJZNQSA-N -1 1 396.292 2.478 20 0 GEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000442779772 532734877 /nfs/dbraw/zinc/73/48/77/532734877.db2.gz DYIGBKKIGPDQJE-VXGBXAGGSA-N -1 1 378.491 2.444 20 0 GEADMM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)C[C@@H](C)OC ZINC000443016258 532739017 /nfs/dbraw/zinc/73/90/17/532739017.db2.gz VMQKWATXTZXHTH-YGRLFVJLSA-N -1 1 398.308 2.422 20 0 GEADMM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000446946546 532756613 /nfs/dbraw/zinc/75/66/13/532756613.db2.gz RZVRLKYQGWCBIS-UHFFFAOYSA-N -1 1 399.266 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C[C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1C(=O)[O-] ZINC000319020955 532785891 /nfs/dbraw/zinc/78/58/91/532785891.db2.gz DMBUYHXQNBZWEE-SMDDNHRTSA-N -1 1 390.299 2.408 20 0 GEADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)nc3)ccc2O1 ZINC000269696217 532786482 /nfs/dbraw/zinc/78/64/82/532786482.db2.gz KYEFIQXONCVKQB-AWEZNQCLSA-N -1 1 382.825 2.402 20 0 GEADMM CN1C(=O)CC[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412296752 532787344 /nfs/dbraw/zinc/78/73/44/532787344.db2.gz ZSJJHCJBOJUBNK-VIFPVBQESA-N -1 1 392.047 2.477 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@H](CCCO)C1 ZINC000457153443 532788288 /nfs/dbraw/zinc/78/82/88/532788288.db2.gz YYWKTDFSFZRWPQ-JTQLQIEISA-N -1 1 375.206 2.231 20 0 GEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(F)c1 ZINC000326402986 532790105 /nfs/dbraw/zinc/79/01/05/532790105.db2.gz NFFSWNASUOVCLS-UHFFFAOYSA-N -1 1 376.406 2.030 20 0 GEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000328016738 532793115 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CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[C@@]12CCCO2 ZINC000273604756 532827923 /nfs/dbraw/zinc/82/79/23/532827923.db2.gz MOBVHGZVXWKBPA-WDMOLILDSA-N -1 1 381.281 2.393 20 0 GEADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCC(=O)N(C)C)cc1 ZINC000288522512 532829762 /nfs/dbraw/zinc/82/97/62/532829762.db2.gz NSHKNDXUZGVMPY-UHFFFAOYSA-N -1 1 383.857 2.311 20 0 GEADMM COC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)c1ccc(C)o1 ZINC000273700631 532831730 /nfs/dbraw/zinc/83/17/30/532831730.db2.gz NMBHCVQGZCEALE-LLVKDONJSA-N -1 1 375.349 2.230 20 0 GEADMM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1 ZINC000288580444 532831771 /nfs/dbraw/zinc/83/17/71/532831771.db2.gz LSBHCFWAVNSJBE-UHFFFAOYSA-N -1 1 386.499 2.022 20 0 GEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2cc(Br)cs2)C1=O ZINC000414650408 532834312 /nfs/dbraw/zinc/83/43/12/532834312.db2.gz FLWHETMZGTWCND-NEPJUHHUSA-N -1 1 375.288 2.310 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273741119 532833328 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GEADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000289466947 532855676 /nfs/dbraw/zinc/85/56/76/532855676.db2.gz GZEAIYADDSJGOO-ZDUSSCGKSA-N -1 1 378.416 2.383 20 0 GEADMM O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000275043014 532862457 /nfs/dbraw/zinc/86/24/57/532862457.db2.gz RHXRXDRXKQXFBP-BQBZGAKWSA-N -1 1 382.182 2.035 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000416186383 532866361 /nfs/dbraw/zinc/86/63/61/532866361.db2.gz BHPHCEYIDQQZQE-MRVPVSSYSA-N -1 1 394.225 2.418 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000416186385 532866674 /nfs/dbraw/zinc/86/66/74/532866674.db2.gz BHPHCEYIDQQZQE-QMMMGPOBSA-N -1 1 394.225 2.418 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000416185671 532866522 /nfs/dbraw/zinc/86/65/22/532866522.db2.gz WGEKRCDTZYTBGQ-MRVPVSSYSA-N -1 1 394.225 2.246 20 0 GEADMM Cn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000275289291 532871351 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GEADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C2CCC2)c1 ZINC000349598986 532883444 /nfs/dbraw/zinc/88/34/44/532883444.db2.gz IOJJEVCTOBQVDL-UHFFFAOYSA-N -1 1 389.543 2.034 20 0 GEADMM C[C@@H]1CC[C@@H](N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349598776 532883554 /nfs/dbraw/zinc/88/35/54/532883554.db2.gz IBBNKKYRGAVDFU-HUUCEWRRSA-N -1 1 389.543 2.054 20 0 GEADMM CSCc1cccnc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290455536 532881135 /nfs/dbraw/zinc/88/11/35/532881135.db2.gz UXDSKLKBUZBVDC-LLVKDONJSA-N -1 1 375.416 2.475 20 0 GEADMM CN([C@H]1CCC(C)(C)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349484996 532881448 /nfs/dbraw/zinc/88/14/48/532881448.db2.gz SXLVSIUBRACVNL-AWEZNQCLSA-N -1 1 389.543 2.054 20 0 GEADMM CC[C@H](CS(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)OC ZINC000421145762 532888895 /nfs/dbraw/zinc/88/88/95/532888895.db2.gz DCFCFVMADPFTHQ-GFCCVEGCSA-N -1 1 396.506 2.069 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000290891916 532891488 /nfs/dbraw/zinc/89/14/88/532891488.db2.gz MZOAZCJTBGLXGI-QGZVFWFLSA-N -1 1 390.237 2.055 20 0 GEADMM C[C@H]1COCC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290884289 532891592 /nfs/dbraw/zinc/89/15/92/532891592.db2.gz KYRUZEFTMPUDDB-WDEREUQCSA-N -1 1 395.308 2.061 20 0 GEADMM O=C(CSCc1ccncc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291019179 532894698 /nfs/dbraw/zinc/89/46/98/532894698.db2.gz DHFWUADAOWRCOI-ZDUSSCGKSA-N -1 1 375.416 2.232 20 0 GEADMM C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291054967 532895925 /nfs/dbraw/zinc/89/59/25/532895925.db2.gz HKARCPNFBNOCAG-NWDGAFQWSA-N -1 1 375.416 2.479 20 0 GEADMM COC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000291201871 532898163 /nfs/dbraw/zinc/89/81/63/532898163.db2.gz GVKQUHBQTKEHFU-LLVKDONJSA-N -1 1 395.308 2.157 20 0 GEADMM Cn1cc(Br)cc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291396142 532901306 /nfs/dbraw/zinc/90/13/06/532901306.db2.gz HCXOTOWAEYRHDX-SECBINFHSA-N -1 1 396.207 2.318 20 0 GEADMM Cn1ncc(Br)c1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291500725 532903093 /nfs/dbraw/zinc/90/30/93/532903093.db2.gz HJKLODCIJZJTJZ-SECBINFHSA-N -1 1 383.212 2.073 20 0 GEADMM Cn1ncc(Br)c1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291500727 532903277 /nfs/dbraw/zinc/90/32/77/532903277.db2.gz HJKLODCIJZJTJZ-VIFPVBQESA-N -1 1 383.212 2.073 20 0 GEADMM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000026254628 207311535 /nfs/dbraw/zinc/31/15/35/207311535.db2.gz YWNIQCMOSGYSLE-UHFFFAOYSA-N -1 1 391.375 2.105 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N(CCO)CC(F)F ZINC000292856202 532919541 /nfs/dbraw/zinc/91/95/41/532919541.db2.gz KUCNOGKYWJNWFD-UHFFFAOYSA-N -1 1 375.169 2.403 20 0 GEADMM O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366729827 532920841 /nfs/dbraw/zinc/92/08/41/532920841.db2.gz GJHJEGHZKUZWFP-MRVWCRGKSA-N -1 1 376.258 2.472 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCN(c2nc(C)cs2)CC1 ZINC000369957518 532941575 /nfs/dbraw/zinc/94/15/75/532941575.db2.gz HJQKCVUHCQQMQK-UHFFFAOYSA-N -1 1 379.511 2.330 20 0 GEADMM O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccc(Br)cc1[O-] ZINC000370600611 532944518 /nfs/dbraw/zinc/94/45/18/532944518.db2.gz ZIYHILZIVYDKIR-LBPRGKRZSA-N -1 1 390.237 2.194 20 0 GEADMM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000371454137 532948120 /nfs/dbraw/zinc/94/81/20/532948120.db2.gz FHUDWVSTQUYXQE-SSDOTTSWSA-N -1 1 378.603 2.079 20 0 GEADMM CCCN1CCCN(S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC000371853088 532949652 /nfs/dbraw/zinc/94/96/52/532949652.db2.gz OSSJJQMREHABHA-UHFFFAOYSA-N -1 1 378.853 2.284 20 0 GEADMM CC(=O)NC(C)(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735474153 598833442 /nfs/dbraw/zinc/83/34/42/598833442.db2.gz HZYMMOMJLKJNND-UHFFFAOYSA-N -1 1 384.465 2.126 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000735624711 598844550 /nfs/dbraw/zinc/84/45/50/598844550.db2.gz ACMYBZOHARWSCV-JTQLQIEISA-N -1 1 379.442 2.485 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000735624713 598844588 /nfs/dbraw/zinc/84/45/88/598844588.db2.gz ACMYBZOHARWSCV-SNVBAGLBSA-N -1 1 379.442 2.485 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000737315140 598867514 /nfs/dbraw/zinc/86/75/14/598867514.db2.gz KCHFLZRNIKOMDZ-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CCSc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000736664918 598879804 /nfs/dbraw/zinc/87/98/04/598879804.db2.gz ARTZEPPKQVARFD-UHFFFAOYSA-N -1 1 387.473 2.038 20 0 GEADMM CCSc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000736664918 598879806 /nfs/dbraw/zinc/87/98/06/598879806.db2.gz ARTZEPPKQVARFD-UHFFFAOYSA-N -1 1 387.473 2.038 20 0 GEADMM COc1cccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)c1 ZINC000737140654 598934800 /nfs/dbraw/zinc/93/48/00/598934800.db2.gz RTESYFYZXYTMIK-UHFFFAOYSA-N -1 1 388.435 2.145 20 0 GEADMM COc1cccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)c1 ZINC000737140654 598934802 /nfs/dbraw/zinc/93/48/02/598934802.db2.gz RTESYFYZXYTMIK-UHFFFAOYSA-N -1 1 388.435 2.145 20 0 GEADMM Cc1csc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@H]2C)n1 ZINC000737453733 598942086 /nfs/dbraw/zinc/94/20/86/598942086.db2.gz YGYADNMMSABXFF-SNVBAGLBSA-N -1 1 376.877 2.395 20 0 GEADMM Cc1csc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC000737453733 598942087 /nfs/dbraw/zinc/94/20/87/598942087.db2.gz YGYADNMMSABXFF-SNVBAGLBSA-N -1 1 376.877 2.395 20 0 GEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000736310446 598948454 /nfs/dbraw/zinc/94/84/54/598948454.db2.gz ZCPPBADHAVGARL-UHFFFAOYSA-N -1 1 386.437 2.324 20 0 GEADMM c1ccn2c(c1)nnc2[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000738432812 598956844 /nfs/dbraw/zinc/95/68/44/598956844.db2.gz JFXNYPXVCZEGLI-CYBMUJFWSA-N -1 1 398.434 2.237 20 0 GEADMM c1ccn2c(c1)nnc2[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000738432812 598956846 /nfs/dbraw/zinc/95/68/46/598956846.db2.gz JFXNYPXVCZEGLI-CYBMUJFWSA-N -1 1 398.434 2.237 20 0 GEADMM c1ccn2c(c1)nnc2[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000738432814 598957172 /nfs/dbraw/zinc/95/71/72/598957172.db2.gz JFXNYPXVCZEGLI-ZDUSSCGKSA-N -1 1 398.434 2.237 20 0 GEADMM c1ccn2c(c1)nnc2[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000738432814 598957173 /nfs/dbraw/zinc/95/71/73/598957173.db2.gz JFXNYPXVCZEGLI-ZDUSSCGKSA-N -1 1 398.434 2.237 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)ccc1C ZINC000821668056 607255094 /nfs/dbraw/zinc/25/50/94/607255094.db2.gz MWBWYWNFGMAELB-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM Cc1cnn(CC2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)c1 ZINC000737441793 598967097 /nfs/dbraw/zinc/96/70/97/598967097.db2.gz BYQSEAIRSBHPFW-UHFFFAOYSA-N -1 1 375.440 2.231 20 0 GEADMM Cc1cnn(CC2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)c1 ZINC000737441793 598967099 /nfs/dbraw/zinc/96/70/99/598967099.db2.gz BYQSEAIRSBHPFW-UHFFFAOYSA-N -1 1 375.440 2.231 20 0 GEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000820838237 607255617 /nfs/dbraw/zinc/25/56/17/607255617.db2.gz QUIWIDOPOQMRCO-UHFFFAOYSA-N -1 1 386.437 2.324 20 0 GEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736143997 598969442 /nfs/dbraw/zinc/96/94/42/598969442.db2.gz WOVXLEPSTCJEKI-GOSISDBHSA-N -1 1 383.362 2.408 20 0 GEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736143997 598969444 /nfs/dbraw/zinc/96/94/44/598969444.db2.gz WOVXLEPSTCJEKI-GOSISDBHSA-N -1 1 383.362 2.408 20 0 GEADMM O=C(Nc1ccc(I)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738175245 598979113 /nfs/dbraw/zinc/97/91/13/598979113.db2.gz WCZKDTQXFYJHFN-UHFFFAOYSA-N -1 1 392.160 2.119 20 0 GEADMM O=C(Nc1ccc(I)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738175245 598979115 /nfs/dbraw/zinc/97/91/15/598979115.db2.gz WCZKDTQXFYJHFN-UHFFFAOYSA-N -1 1 392.160 2.119 20 0 GEADMM CN(Cc1ccc(Br)s1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736817288 598983110 /nfs/dbraw/zinc/98/31/10/598983110.db2.gz WVFSYUUJORJOAY-UHFFFAOYSA-N -1 1 379.243 2.358 20 0 GEADMM CN(Cc1ccc(Br)s1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736817288 598983112 /nfs/dbraw/zinc/98/31/12/598983112.db2.gz WVFSYUUJORJOAY-UHFFFAOYSA-N -1 1 379.243 2.358 20 0 GEADMM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736204558 598988066 /nfs/dbraw/zinc/98/80/66/598988066.db2.gz ROXZDZNHYCMFCQ-CYBMUJFWSA-N -1 1 397.870 2.434 20 0 GEADMM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736204558 598988068 /nfs/dbraw/zinc/98/80/68/598988068.db2.gz ROXZDZNHYCMFCQ-CYBMUJFWSA-N -1 1 397.870 2.434 20 0 GEADMM Cc1c([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnn1-c1ccc(F)cc1 ZINC000737208412 598990086 /nfs/dbraw/zinc/99/00/86/598990086.db2.gz BFCDGJCTIQXQJS-NSHDSACASA-N -1 1 392.398 2.386 20 0 GEADMM Cc1c([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnn1-c1ccc(F)cc1 ZINC000737208412 598990087 /nfs/dbraw/zinc/99/00/87/598990087.db2.gz BFCDGJCTIQXQJS-NSHDSACASA-N -1 1 392.398 2.386 20 0 GEADMM O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738108446 598994749 /nfs/dbraw/zinc/99/47/49/598994749.db2.gz HOTPHVGIYJPTLI-UHFFFAOYSA-N -1 1 387.403 2.166 20 0 GEADMM O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738108446 598994750 /nfs/dbraw/zinc/99/47/50/598994750.db2.gz HOTPHVGIYJPTLI-UHFFFAOYSA-N -1 1 387.403 2.166 20 0 GEADMM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738115250 598996468 /nfs/dbraw/zinc/99/64/68/598996468.db2.gz AMDRJJGLXATASX-UHFFFAOYSA-N -1 1 391.435 2.320 20 0 GEADMM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738115250 598996471 /nfs/dbraw/zinc/99/64/71/598996471.db2.gz AMDRJJGLXATASX-UHFFFAOYSA-N -1 1 391.435 2.320 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000738258629 598996534 /nfs/dbraw/zinc/99/65/34/598996534.db2.gz JFAKOWNHTPNBFX-RKDXNWHRSA-N -1 1 394.279 2.465 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000738258629 598996536 /nfs/dbraw/zinc/99/65/36/598996536.db2.gz JFAKOWNHTPNBFX-RKDXNWHRSA-N -1 1 394.279 2.465 20 0 GEADMM Cc1ccccc1C1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC000737424924 598997960 /nfs/dbraw/zinc/99/79/60/598997960.db2.gz ZSJILRHPYYLYNK-UHFFFAOYSA-N -1 1 378.436 2.048 20 0 GEADMM Cc1ccccc1C1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC000737424924 598997963 /nfs/dbraw/zinc/99/79/63/598997963.db2.gz ZSJILRHPYYLYNK-UHFFFAOYSA-N -1 1 378.436 2.048 20 0 GEADMM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737155658 599003246 /nfs/dbraw/zinc/00/32/46/599003246.db2.gz LQXXDFOIHJPRLU-GFCCVEGCSA-N -1 1 384.465 2.429 20 0 GEADMM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737155658 599003248 /nfs/dbraw/zinc/00/32/48/599003248.db2.gz LQXXDFOIHJPRLU-GFCCVEGCSA-N -1 1 384.465 2.429 20 0 GEADMM O=C(NCCCc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738074807 599005064 /nfs/dbraw/zinc/00/50/64/599005064.db2.gz GMNNHWKGXHYUOA-UHFFFAOYSA-N -1 1 387.241 2.387 20 0 GEADMM O=C(NCCCc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738074807 599005066 /nfs/dbraw/zinc/00/50/66/599005066.db2.gz GMNNHWKGXHYUOA-UHFFFAOYSA-N -1 1 387.241 2.387 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737077967 599020693 /nfs/dbraw/zinc/02/06/93/599020693.db2.gz WXNUOTNMVFHSOC-OAHLLOKOSA-N -1 1 380.408 2.256 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737077967 599020695 /nfs/dbraw/zinc/02/06/95/599020695.db2.gz WXNUOTNMVFHSOC-OAHLLOKOSA-N -1 1 380.408 2.256 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000737486312 599083368 /nfs/dbraw/zinc/08/33/68/599083368.db2.gz DCXDKMKTMQUIIH-AAEUAGOBSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000737486312 599083371 /nfs/dbraw/zinc/08/33/71/599083371.db2.gz DCXDKMKTMQUIIH-AAEUAGOBSA-N -1 1 382.472 2.106 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000735735789 599131165 /nfs/dbraw/zinc/13/11/65/599131165.db2.gz VLUZDGZBUNIPIQ-INWMFGNUSA-N -1 1 386.456 2.138 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000735735789 599131167 /nfs/dbraw/zinc/13/11/67/599131167.db2.gz VLUZDGZBUNIPIQ-INWMFGNUSA-N -1 1 386.456 2.138 20 0 GEADMM Cc1oc(NC(=O)COC(=O)C2(c3cccc(F)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000737553382 599133224 /nfs/dbraw/zinc/13/32/24/599133224.db2.gz VAJDZMAYADUVGC-UHFFFAOYSA-N -1 1 399.382 2.429 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)C1CCCCC1 ZINC000735735342 599134346 /nfs/dbraw/zinc/13/43/46/599134346.db2.gz SGKJFBIVONETAS-INIZCTEOSA-N -1 1 386.456 2.234 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)C1CCCCC1 ZINC000735735342 599134348 /nfs/dbraw/zinc/13/43/48/599134348.db2.gz SGKJFBIVONETAS-INIZCTEOSA-N -1 1 386.456 2.234 20 0 GEADMM CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736698594 599138814 /nfs/dbraw/zinc/13/88/14/599138814.db2.gz JYSKUGGYSYXLPJ-UHFFFAOYSA-N -1 1 380.408 2.182 20 0 GEADMM CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736698594 599138815 /nfs/dbraw/zinc/13/88/15/599138815.db2.gz JYSKUGGYSYXLPJ-UHFFFAOYSA-N -1 1 380.408 2.182 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000737907308 599139474 /nfs/dbraw/zinc/13/94/74/599139474.db2.gz BPXVCKRZEBMBSQ-UHFFFAOYSA-N -1 1 392.297 2.076 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000737907308 599139476 /nfs/dbraw/zinc/13/94/76/599139476.db2.gz BPXVCKRZEBMBSQ-UHFFFAOYSA-N -1 1 392.297 2.076 20 0 GEADMM C[C@@H](C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C(C)(C)C ZINC000735571406 599144284 /nfs/dbraw/zinc/14/42/84/599144284.db2.gz CYBQSUMKEWAKPM-LBPRGKRZSA-N -1 1 397.439 2.216 20 0 GEADMM C[C@@H](C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C(C)(C)C ZINC000735571406 599144285 /nfs/dbraw/zinc/14/42/85/599144285.db2.gz CYBQSUMKEWAKPM-LBPRGKRZSA-N -1 1 397.439 2.216 20 0 GEADMM Cc1ccc(CCNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1 ZINC000737336999 599167673 /nfs/dbraw/zinc/16/76/73/599167673.db2.gz BXFGVPJZQRLQAY-UHFFFAOYSA-N -1 1 380.452 2.184 20 0 GEADMM Clc1ccc(CN2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cn1 ZINC000737578103 599172007 /nfs/dbraw/zinc/17/20/07/599172007.db2.gz YFJXQOBZCDIJNL-UHFFFAOYSA-N -1 1 391.266 2.286 20 0 GEADMM Clc1ccc(CN2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cn1 ZINC000737578103 599172011 /nfs/dbraw/zinc/17/20/11/599172011.db2.gz YFJXQOBZCDIJNL-UHFFFAOYSA-N -1 1 391.266 2.286 20 0 GEADMM COc1ccnc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)c1 ZINC000737155944 599185630 /nfs/dbraw/zinc/18/56/30/599185630.db2.gz PDBSWOAJQPNBOT-UHFFFAOYSA-N -1 1 391.391 2.121 20 0 GEADMM CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735894101 599196071 /nfs/dbraw/zinc/19/60/71/599196071.db2.gz DXEBVRYNIYWYER-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735894101 599196074 /nfs/dbraw/zinc/19/60/74/599196074.db2.gz DXEBVRYNIYWYER-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC(C(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000739197567 596917545 /nfs/dbraw/zinc/91/75/45/596917545.db2.gz YMXAWTMXOZTDCR-HUUCEWRRSA-N -1 1 375.469 2.035 20 0 GEADMM O=C([O-])C1CCN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000430658939 596921182 /nfs/dbraw/zinc/92/11/82/596921182.db2.gz KJAOCEKHPZODDR-UHFFFAOYSA-N -1 1 388.464 2.140 20 0 GEADMM O=C([O-])C1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000740482184 596924677 /nfs/dbraw/zinc/92/46/77/596924677.db2.gz PNPQUMRRRSECEY-QGZVFWFLSA-N -1 1 388.464 2.308 20 0 GEADMM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736197907 599229909 /nfs/dbraw/zinc/22/99/09/599229909.db2.gz DFZQKLCUJOZBSX-CYBMUJFWSA-N -1 1 397.870 2.434 20 0 GEADMM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736197907 599229911 /nfs/dbraw/zinc/22/99/11/599229911.db2.gz DFZQKLCUJOZBSX-CYBMUJFWSA-N -1 1 397.870 2.434 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)CCC(=O)[O-])CC1 ZINC000818207588 596993382 /nfs/dbraw/zinc/99/33/82/596993382.db2.gz LKNBZWXCNULUMV-AWEZNQCLSA-N -1 1 380.464 2.145 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCC(=O)[O-])c1 ZINC000509218283 597111629 /nfs/dbraw/zinc/11/16/29/597111629.db2.gz NWZDSAWUZYMQAX-UHFFFAOYSA-N -1 1 392.433 2.009 20 0 GEADMM [O-]C(=Cc1coc(-c2ccc(Cl)cc2)n1)[NH+]=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737975876 599252477 /nfs/dbraw/zinc/25/24/77/599252477.db2.gz VQVVRKNDSBDUBB-UHFFFAOYSA-N -1 1 381.783 2.173 20 0 GEADMM COCC[S@](=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821694474 607317101 /nfs/dbraw/zinc/31/71/01/607317101.db2.gz ONIZHZCMAIBUOG-VWLOTQADSA-N -1 1 377.495 2.435 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1Cc2ccccc2C(F)(F)C1 ZINC000823606835 607332388 /nfs/dbraw/zinc/33/23/88/607332388.db2.gz NZJKQHAPFRHMCA-UHFFFAOYSA-N -1 1 395.366 2.302 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1Cc2ccccc2C(F)(F)C1 ZINC000823606835 607332389 /nfs/dbraw/zinc/33/23/89/607332389.db2.gz NZJKQHAPFRHMCA-UHFFFAOYSA-N -1 1 395.366 2.302 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000821474785 598173161 /nfs/dbraw/zinc/17/31/61/598173161.db2.gz MLMJJPFTQYTLSW-GOSISDBHSA-N -1 1 381.432 2.277 20 0 GEADMM COc1cccc([C@H]2[C@H](NC(=O)N3CCC(C(=O)[O-])CC3)CCN2C2CC2)c1 ZINC000820865745 598216003 /nfs/dbraw/zinc/21/60/03/598216003.db2.gz WFFFRBZASKLCDV-MOPGFXCFSA-N -1 1 387.480 2.479 20 0 GEADMM O[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)COc1ccc(F)c(F)c1 ZINC000738387892 598245599 /nfs/dbraw/zinc/24/55/99/598245599.db2.gz QCANPRPPEWZLIF-LURJTMIESA-N -1 1 388.787 2.107 20 0 GEADMM O[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)COc1ccc(F)c(F)c1 ZINC000738387892 598245600 /nfs/dbraw/zinc/24/56/00/598245600.db2.gz QCANPRPPEWZLIF-LURJTMIESA-N -1 1 388.787 2.107 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000735671362 598266448 /nfs/dbraw/zinc/26/64/48/598266448.db2.gz VSDCHWDXHRWFAP-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000735671362 598266450 /nfs/dbraw/zinc/26/64/50/598266450.db2.gz VSDCHWDXHRWFAP-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736507473 598267153 /nfs/dbraw/zinc/26/71/53/598267153.db2.gz DHTCMTGPPQZOCR-NSHDSACASA-N -1 1 376.417 2.173 20 0 GEADMM CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736507473 598267155 /nfs/dbraw/zinc/26/71/55/598267155.db2.gz DHTCMTGPPQZOCR-NSHDSACASA-N -1 1 376.417 2.173 20 0 GEADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735597892 598268542 /nfs/dbraw/zinc/26/85/42/598268542.db2.gz TXSZPOSTQVFEKT-TZMCWYRMSA-N -1 1 378.502 2.393 20 0 GEADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735597892 598268544 /nfs/dbraw/zinc/26/85/44/598268544.db2.gz TXSZPOSTQVFEKT-TZMCWYRMSA-N -1 1 378.502 2.393 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)CC1CCC1 ZINC000738356244 598269344 /nfs/dbraw/zinc/26/93/44/598269344.db2.gz ZUVWSFSZXQBCOK-UHFFFAOYSA-N -1 1 384.465 2.253 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)CC1CCC1 ZINC000738356244 598269345 /nfs/dbraw/zinc/26/93/45/598269345.db2.gz ZUVWSFSZXQBCOK-UHFFFAOYSA-N -1 1 384.465 2.253 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344600 598269658 /nfs/dbraw/zinc/26/96/58/598269658.db2.gz YNEDFFYONFWVNN-HOTGVXAUSA-N -1 1 384.465 2.266 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344600 598269660 /nfs/dbraw/zinc/26/96/60/598269660.db2.gz YNEDFFYONFWVNN-HOTGVXAUSA-N -1 1 384.465 2.266 20 0 GEADMM CN(CCc1cccc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736807598 598271811 /nfs/dbraw/zinc/27/18/11/598271811.db2.gz VZLVPECKCSKHTL-UHFFFAOYSA-N -1 1 394.460 2.278 20 0 GEADMM CN(CCc1cccc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736807598 598271813 /nfs/dbraw/zinc/27/18/13/598271813.db2.gz VZLVPECKCSKHTL-UHFFFAOYSA-N -1 1 394.460 2.278 20 0 GEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000737560320 598283879 /nfs/dbraw/zinc/28/38/79/598283879.db2.gz GBIQTUILJSKAGG-UHFFFAOYSA-N -1 1 399.841 2.389 20 0 GEADMM FC(F)Oc1ccc(-c2nnc(Sc3nccnc3-c3nn[n-]n3)o2)cc1 ZINC000737639035 598337725 /nfs/dbraw/zinc/33/77/25/598337725.db2.gz KVSJIMBSCCPPLQ-UHFFFAOYSA-N -1 1 390.335 2.459 20 0 GEADMM Cc1ccc(C)c(OCc2nnc(Sc3nccnc3-c3nn[n-]n3)o2)c1 ZINC000737325367 598339359 /nfs/dbraw/zinc/33/93/59/598339359.db2.gz DZNQTQAKMHDZTQ-UHFFFAOYSA-N -1 1 382.409 2.387 20 0 GEADMM Clc1ccc(OCc2nnc(Sc3nccnc3-c3nn[n-]n3)o2)cc1 ZINC000737575482 598339821 /nfs/dbraw/zinc/33/98/21/598339821.db2.gz WUYWPNLQERUGIA-UHFFFAOYSA-N -1 1 388.800 2.423 20 0 GEADMM Cc1ccccc1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737421435 598400173 /nfs/dbraw/zinc/40/01/73/598400173.db2.gz INKFFCHMVVPGOM-UHFFFAOYSA-N -1 1 384.465 2.138 20 0 GEADMM Cc1ccccc1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737421435 598400174 /nfs/dbraw/zinc/40/01/74/598400174.db2.gz INKFFCHMVVPGOM-UHFFFAOYSA-N -1 1 384.465 2.138 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2cccc(F)n2)c1-c1nn[n-]n1 ZINC000826231517 607357476 /nfs/dbraw/zinc/35/74/76/607357476.db2.gz OKUPGAPMFZTVHL-UHFFFAOYSA-N -1 1 385.428 2.325 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2nnc(C)o2)c1-c1nn[n-]n1 ZINC000821988545 607357539 /nfs/dbraw/zinc/35/75/39/607357539.db2.gz FAELPNWZKIPXCV-SSDOTTSWSA-N -1 1 386.441 2.043 20 0 GEADMM Cc1nn(Cc2ncc(-c3cccc(Cl)c3)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524333 598473329 /nfs/dbraw/zinc/47/33/29/598473329.db2.gz XTHDEAIDXWFCQH-UHFFFAOYSA-N -1 1 383.799 2.397 20 0 GEADMM CC(C)C[C@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735761928 598495800 /nfs/dbraw/zinc/49/58/00/598495800.db2.gz RYBLTYKQQYSJOT-ZDUSSCGKSA-N -1 1 387.488 2.453 20 0 GEADMM CC(C)(C)c1nc(-c2nn[n-]n2)c(NNC(=S)NCCc2cccs2)o1 ZINC000735657622 598496369 /nfs/dbraw/zinc/49/63/69/598496369.db2.gz SJKSROAYRRZGQK-UHFFFAOYSA-N -1 1 392.514 2.247 20 0 GEADMM Clc1nsc(N2CCN(c3nc4ccccc4o3)CC2)c1-c1nnn[n-]1 ZINC000737583009 598502541 /nfs/dbraw/zinc/50/25/41/598502541.db2.gz HYWGGCOLFVLOBB-UHFFFAOYSA-N -1 1 388.844 2.444 20 0 GEADMM Clc1nsc(N2CCN(c3nc4ccccc4o3)CC2)c1-c1nn[n-]n1 ZINC000737583009 598502542 /nfs/dbraw/zinc/50/25/42/598502542.db2.gz HYWGGCOLFVLOBB-UHFFFAOYSA-N -1 1 388.844 2.444 20 0 GEADMM COc1ccccc1CN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737148994 598551303 /nfs/dbraw/zinc/55/13/03/598551303.db2.gz FFPKSRZKGQHRMB-UHFFFAOYSA-N -1 1 391.888 2.307 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000738216319 598595945 /nfs/dbraw/zinc/59/59/45/598595945.db2.gz XUWMAQOXIPZDAL-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc1-c1nn[n-]n1 ZINC000737186058 598618976 /nfs/dbraw/zinc/61/89/76/598618976.db2.gz FLGPGBVEOFKBOS-ZDUSSCGKSA-N -1 1 398.448 2.170 20 0 GEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](O)c1c(F)cccc1F ZINC000820919447 607361149 /nfs/dbraw/zinc/36/11/49/607361149.db2.gz CAIZDYDQGLLNIP-YGRLFVJLSA-N -1 1 379.392 2.448 20 0 GEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](O)c1c(F)cccc1F ZINC000820919447 607361151 /nfs/dbraw/zinc/36/11/51/607361151.db2.gz CAIZDYDQGLLNIP-YGRLFVJLSA-N -1 1 379.392 2.448 20 0 GEADMM CCc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705738 598642289 /nfs/dbraw/zinc/64/22/89/598642289.db2.gz OHHUFUISLKLURR-UHFFFAOYSA-N -1 1 395.467 2.112 20 0 GEADMM CCc1nn(Cc2csc(-c3ccoc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707154 598643536 /nfs/dbraw/zinc/64/35/36/598643536.db2.gz PZWJGYDUZXKLIL-UHFFFAOYSA-N -1 1 383.437 2.313 20 0 GEADMM COc1cccc2c1N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CCC2 ZINC000737141042 598663445 /nfs/dbraw/zinc/66/34/45/598663445.db2.gz JSYRKYOBZMTOML-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccccc1Oc1ccccc1 ZINC000737986734 598677613 /nfs/dbraw/zinc/67/76/13/598677613.db2.gz MYWDNWTZXPEYCM-UHFFFAOYSA-N -1 1 388.387 2.459 20 0 GEADMM COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737141960 598687328 /nfs/dbraw/zinc/68/73/28/598687328.db2.gz LDLORMVZUHZTNS-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737074579 598693299 /nfs/dbraw/zinc/69/32/99/598693299.db2.gz JENRHATYMORGFD-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1cc(F)cc(F)c1 ZINC000737982823 598719793 /nfs/dbraw/zinc/71/97/93/598719793.db2.gz RLLBTWNXRDVOBD-UHFFFAOYSA-N -1 1 382.330 2.099 20 0 GEADMM CC(=O)c1c(F)cccc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735496600 598744375 /nfs/dbraw/zinc/74/43/75/598744375.db2.gz CFKGQZLLLYJSLV-UHFFFAOYSA-N -1 1 397.414 2.400 20 0 GEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000737470687 598762391 /nfs/dbraw/zinc/76/23/91/598762391.db2.gz KQHKYSFNYFYMFN-CYBMUJFWSA-N -1 1 385.428 2.310 20 0 GEADMM COC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736976075 599300978 /nfs/dbraw/zinc/30/09/78/599300978.db2.gz COOAYERCJYNLNV-AWEZNQCLSA-N -1 1 392.341 2.398 20 0 GEADMM COC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736976075 599300981 /nfs/dbraw/zinc/30/09/81/599300981.db2.gz COOAYERCJYNLNV-AWEZNQCLSA-N -1 1 392.341 2.398 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c(Cl)c1 ZINC000327860784 599315637 /nfs/dbraw/zinc/31/56/37/599315637.db2.gz UQZNGDUUDZZHEU-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)Cc1cc[nH]n1 ZINC000737281426 599319939 /nfs/dbraw/zinc/31/99/39/599319939.db2.gz YKBYRZVZUIRSPK-UHFFFAOYSA-N -1 1 376.380 2.267 20 0 GEADMM Cc1ccc(F)c(N2CCC[C@H](OC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)c1 ZINC000737344395 599334834 /nfs/dbraw/zinc/33/48/34/599334834.db2.gz FGHKEZSGJKAWIK-INIZCTEOSA-N -1 1 396.382 2.062 20 0 GEADMM Cc1ccc(F)c(N2CCC[C@H](OC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)c1 ZINC000737344395 599334837 /nfs/dbraw/zinc/33/48/37/599334837.db2.gz FGHKEZSGJKAWIK-INIZCTEOSA-N -1 1 396.382 2.062 20 0 GEADMM C[C@H](c1ccccn1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820570370 599339376 /nfs/dbraw/zinc/33/93/76/599339376.db2.gz ILRVYSNUBHYXFI-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM CCS[C@H]1CCCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821454685 599342219 /nfs/dbraw/zinc/34/22/19/599342219.db2.gz GXWOSXITOBCLHV-NSHDSACASA-N -1 1 385.490 2.302 20 0 GEADMM CCS[C@H]1CCCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821454685 599342222 /nfs/dbraw/zinc/34/22/22/599342222.db2.gz GXWOSXITOBCLHV-NSHDSACASA-N -1 1 385.490 2.302 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000823601240 599361650 /nfs/dbraw/zinc/36/16/50/599361650.db2.gz XMYXHQCERIOVEU-CYBMUJFWSA-N -1 1 395.460 2.118 20 0 GEADMM Fc1c(F)c(F)c(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c(F)c1F ZINC000737638276 599398065 /nfs/dbraw/zinc/39/80/65/599398065.db2.gz FSJFHWFYPBQIQO-UHFFFAOYSA-N -1 1 397.311 2.284 20 0 GEADMM Fc1c(F)c(F)c(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(F)c1F ZINC000737638276 599398066 /nfs/dbraw/zinc/39/80/66/599398066.db2.gz FSJFHWFYPBQIQO-UHFFFAOYSA-N -1 1 397.311 2.284 20 0 GEADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)COc1ccc(C(F)(F)F)cc1 ZINC000738381021 599417768 /nfs/dbraw/zinc/41/77/68/599417768.db2.gz FOZVODOWFOHLAO-NSHDSACASA-N -1 1 380.330 2.132 20 0 GEADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)COc1ccc(C(F)(F)F)cc1 ZINC000738381021 599417773 /nfs/dbraw/zinc/41/77/73/599417773.db2.gz FOZVODOWFOHLAO-NSHDSACASA-N -1 1 380.330 2.132 20 0 GEADMM Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(-c3nnn[n-]3)o2)c1 ZINC000820633870 599492071 /nfs/dbraw/zinc/49/20/71/599492071.db2.gz FBBCGQVTCXFWIV-OAHLLOKOSA-N -1 1 395.448 2.200 20 0 GEADMM Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(-c3nn[n-]n3)o2)c1 ZINC000820633870 599492072 /nfs/dbraw/zinc/49/20/72/599492072.db2.gz FBBCGQVTCXFWIV-OAHLLOKOSA-N -1 1 395.448 2.200 20 0 GEADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cccs1 ZINC000735525103 599563602 /nfs/dbraw/zinc/56/36/02/599563602.db2.gz JJZLSTXGYMLZFY-LLVKDONJSA-N -1 1 399.480 2.246 20 0 GEADMM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736267984 599593395 /nfs/dbraw/zinc/59/33/95/599593395.db2.gz VMPRJKUDPWZYMA-VIFPVBQESA-N -1 1 375.376 2.449 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1ccsc1 ZINC000822459569 599626384 /nfs/dbraw/zinc/62/63/84/599626384.db2.gz SMIPFEHUBHMMHT-UHFFFAOYSA-N -1 1 383.437 2.264 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1ccsc1 ZINC000822459569 599626385 /nfs/dbraw/zinc/62/63/85/599626385.db2.gz SMIPFEHUBHMMHT-UHFFFAOYSA-N -1 1 383.437 2.264 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819939396 599626757 /nfs/dbraw/zinc/62/67/57/599626757.db2.gz AOWHDQBQQFWXPL-SMDDNHRTSA-N -1 1 388.428 2.112 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819939396 599626758 /nfs/dbraw/zinc/62/67/58/599626758.db2.gz AOWHDQBQQFWXPL-SMDDNHRTSA-N -1 1 388.428 2.112 20 0 GEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819833578 599650167 /nfs/dbraw/zinc/65/01/67/599650167.db2.gz HPMOYEDJBCYXNY-CYBMUJFWSA-N -1 1 396.403 2.328 20 0 GEADMM CCC(CC)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)OC(C)(C)C ZINC000820887539 599653589 /nfs/dbraw/zinc/65/35/89/599653589.db2.gz FUXOCNRSIKYCNP-UHFFFAOYSA-N -1 1 389.460 2.075 20 0 GEADMM CCC(CC)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)OC(C)(C)C ZINC000820887539 599653590 /nfs/dbraw/zinc/65/35/90/599653590.db2.gz FUXOCNRSIKYCNP-UHFFFAOYSA-N -1 1 389.460 2.075 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000737487003 599655686 /nfs/dbraw/zinc/65/56/86/599655686.db2.gz HHASOMZCQVGGII-TXEJJXNPSA-N -1 1 382.472 2.248 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000737487003 599655687 /nfs/dbraw/zinc/65/56/87/599655687.db2.gz HHASOMZCQVGGII-TXEJJXNPSA-N -1 1 382.472 2.248 20 0 GEADMM CCCC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000584058187 599705787 /nfs/dbraw/zinc/70/57/87/599705787.db2.gz LMFJVTFZOWTVDP-SFHVURJKSA-N -1 1 380.510 2.125 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1cccs1 ZINC000737361458 599721349 /nfs/dbraw/zinc/72/13/49/599721349.db2.gz OJGPJPMYKJRKBM-CYBMUJFWSA-N -1 1 394.428 2.335 20 0 GEADMM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738669168 599764967 /nfs/dbraw/zinc/76/49/67/599764967.db2.gz BCYMGUAWROGCKG-ZFWWWQNUSA-N -1 1 376.434 2.283 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc(C2CC2)no1 ZINC000736389675 599775094 /nfs/dbraw/zinc/77/50/94/599775094.db2.gz KOULOUQCXRZTMU-ZDUSSCGKSA-N -1 1 383.401 2.460 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000739330255 599779647 /nfs/dbraw/zinc/77/96/47/599779647.db2.gz ZYDMLRGUXLHBOV-INIZCTEOSA-N -1 1 383.404 2.226 20 0 GEADMM O=C([O-])c1ccc(F)c(NC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000740140188 599817770 /nfs/dbraw/zinc/81/77/70/599817770.db2.gz DFYCNDGZSXGLPR-UHFFFAOYSA-N -1 1 379.432 2.490 20 0 GEADMM O=C([O-])COc1cccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000738612667 599818423 /nfs/dbraw/zinc/81/84/23/599818423.db2.gz PZHBTPHLXBIUIX-UHFFFAOYSA-N -1 1 391.468 2.116 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)N(CCN(C)C)Cc2ccccc2)c(C(=O)[O-])c1C ZINC000736172604 599827576 /nfs/dbraw/zinc/82/75/76/599827576.db2.gz JRXKZERXUWLTMY-UHFFFAOYSA-N -1 1 385.464 2.357 20 0 GEADMM O=C([O-])C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000739638936 599840356 /nfs/dbraw/zinc/84/03/56/599840356.db2.gz GRKYVJNUOPELDY-IERDGZPVSA-N -1 1 385.464 2.447 20 0 GEADMM O=C([O-])C[C@H]1CCCCN1CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000739638936 599840357 /nfs/dbraw/zinc/84/03/57/599840357.db2.gz GRKYVJNUOPELDY-IERDGZPVSA-N -1 1 385.464 2.447 20 0 GEADMM CN(CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)[C@H](CO)c1ccccc1 ZINC000737505100 599885534 /nfs/dbraw/zinc/88/55/34/599885534.db2.gz DROGATUNYZEBCG-UYAOXDASSA-N -1 1 395.459 2.387 20 0 GEADMM O=C([O-])COc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000738618821 599927221 /nfs/dbraw/zinc/92/72/21/599927221.db2.gz BBCWNHZOVFPNGJ-UHFFFAOYSA-N -1 1 399.808 2.375 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000739425714 599942040 /nfs/dbraw/zinc/94/20/40/599942040.db2.gz GLXRGSGSGJCRJL-UHFFFAOYSA-N -1 1 383.448 2.121 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)CC(=O)Nc3cccc(C(=O)[O-])c3)C2)nn1 ZINC000738617460 599957196 /nfs/dbraw/zinc/95/71/96/599957196.db2.gz VNXZGJAKTTYNAT-KRWDZBQOSA-N -1 1 383.452 2.023 20 0 GEADMM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN(CCO)Cc1ccccc1 ZINC000737505835 599961683 /nfs/dbraw/zinc/96/16/83/599961683.db2.gz QSQNUPFQRSLVMQ-FQEVSTJZSA-N -1 1 395.459 2.216 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2C(=O)[O-])c(C)c1 ZINC000497250871 600005552 /nfs/dbraw/zinc/00/55/52/600005552.db2.gz XLQIPOMUXHWLHP-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM CCN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000485338000 600025439 /nfs/dbraw/zinc/02/54/39/600025439.db2.gz XSQCQXSOPLTHFQ-UHFFFAOYSA-N -1 1 392.433 2.043 20 0 GEADMM CCc1[nH]c(C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)c(C)c1C(=O)[O-] ZINC000737244737 600077471 /nfs/dbraw/zinc/07/74/71/600077471.db2.gz RDCPZCXDXHHWOW-UHFFFAOYSA-N -1 1 383.408 2.307 20 0 GEADMM CCc1[nH]c(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)c(C)c1C(=O)[O-] ZINC000737244737 600077474 /nfs/dbraw/zinc/07/74/74/600077474.db2.gz RDCPZCXDXHHWOW-UHFFFAOYSA-N -1 1 383.408 2.307 20 0 GEADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1OC ZINC000737871651 600099810 /nfs/dbraw/zinc/09/98/10/600099810.db2.gz MAGHKJPXOOFZQM-AATRIKPKSA-N -1 1 395.437 2.380 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000738277427 600103583 /nfs/dbraw/zinc/10/35/83/600103583.db2.gz XSUITALEBIIHSF-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM COC(=O)c1c2c(sc1NC(=O)CNC1(C(=O)[O-])CCCCC1)CCC2 ZINC000737652774 600148107 /nfs/dbraw/zinc/14/81/07/600148107.db2.gz WWXDLSGSBVGQKO-UHFFFAOYSA-N -1 1 380.466 2.339 20 0 GEADMM CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000545543625 600168781 /nfs/dbraw/zinc/16/87/81/600168781.db2.gz IPDFHGQLIISCLT-UHFFFAOYSA-N -1 1 397.884 2.186 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc(Br)n2)cc1 ZINC000739826335 600179870 /nfs/dbraw/zinc/17/98/70/600179870.db2.gz PDHPBOJQRSEZPD-UHFFFAOYSA-N -1 1 387.211 2.108 20 0 GEADMM CN(C)[C@@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccc(F)c1 ZINC000737358429 600184865 /nfs/dbraw/zinc/18/48/65/600184865.db2.gz MAZVCOJFLYGQGV-SFHVURJKSA-N -1 1 389.427 2.391 20 0 GEADMM CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[C@H](C(=O)[O-])c1ccccc1 ZINC000737323668 600196603 /nfs/dbraw/zinc/19/66/03/600196603.db2.gz GSUZFCHHSQWUEI-KRWDZBQOSA-N -1 1 397.456 2.360 20 0 GEADMM CN(C)Cc1cc(CNC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)ccc1F ZINC000737368964 600200132 /nfs/dbraw/zinc/20/01/32/600200132.db2.gz XJVGHAJPORZNFQ-UHFFFAOYSA-N -1 1 388.399 2.232 20 0 GEADMM COC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737627849 600230390 /nfs/dbraw/zinc/23/03/90/600230390.db2.gz LYBXVYMXDVHNTA-UHFFFAOYSA-N -1 1 385.344 2.179 20 0 GEADMM CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000737160948 600285990 /nfs/dbraw/zinc/28/59/90/600285990.db2.gz BCTPWGUZXIVUEB-ZIAGYGMSSA-N -1 1 392.452 2.247 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1 ZINC000737361857 600297611 /nfs/dbraw/zinc/29/76/11/600297611.db2.gz PYPJNHADWXGSJC-INIZCTEOSA-N -1 1 391.374 2.021 20 0 GEADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN[C@@](C)(CO)c1ccccc1 ZINC000737505504 600313321 /nfs/dbraw/zinc/31/33/21/600313321.db2.gz LTRSPYPIBMHVHR-KNQAVFIVSA-N -1 1 395.459 2.219 20 0 GEADMM O=C([O-])c1cc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)ccc1Cl ZINC000738507030 600341253 /nfs/dbraw/zinc/34/12/53/600341253.db2.gz STIDXKZIHAJDQK-UHFFFAOYSA-N -1 1 399.794 2.078 20 0 GEADMM O=C([O-])c1cc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)ccc1Cl ZINC000738507030 600341257 /nfs/dbraw/zinc/34/12/57/600341257.db2.gz STIDXKZIHAJDQK-UHFFFAOYSA-N -1 1 399.794 2.078 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390570799 600345344 /nfs/dbraw/zinc/34/53/44/600345344.db2.gz UYYAEJRISPXHMX-HNNXBMFYSA-N -1 1 376.478 2.492 20 0 GEADMM CCc1ccc(CN2CCN(c3cc(C)nc4nc(C(=O)[O-])nn43)CC2)s1 ZINC000737265459 600364225 /nfs/dbraw/zinc/36/42/25/600364225.db2.gz QNDQQJCJDOFCAC-UHFFFAOYSA-N -1 1 386.481 2.077 20 0 GEADMM C[C@@H](CN(C)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000736576180 600365910 /nfs/dbraw/zinc/36/59/10/600365910.db2.gz XCXFDLOVFLMQBM-UWVGGRQHSA-N -1 1 387.358 2.032 20 0 GEADMM CCOC(=O)c1sc2[nH]c([C@@H](C)N(C)C[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737157693 600370622 /nfs/dbraw/zinc/37/06/22/600370622.db2.gz VHYDPYBSSPENIZ-PSASIEDQSA-N -1 1 381.454 2.183 20 0 GEADMM O=C([O-])c1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(F)c1 ZINC000739403498 600399901 /nfs/dbraw/zinc/39/99/01/600399901.db2.gz OZPRRTFZPMOHLM-MRXNPFEDSA-N -1 1 387.411 2.065 20 0 GEADMM CNC(=O)C1(NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CCCC1 ZINC000737535078 600447819 /nfs/dbraw/zinc/44/78/19/600447819.db2.gz KJMFMJSQQMQXAA-UHFFFAOYSA-N -1 1 388.251 2.279 20 0 GEADMM O=C([O-])[C@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000739248201 600455024 /nfs/dbraw/zinc/45/50/24/600455024.db2.gz BZDSHQAEINNGIY-QGZVFWFLSA-N -1 1 385.351 2.191 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000738520009 600466735 /nfs/dbraw/zinc/46/67/35/600466735.db2.gz UCIFHXWCDORTRF-KRWDZBQOSA-N -1 1 387.411 2.190 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCC(C(=O)[O-])CC2)N2CCCC2)cc1 ZINC000737957547 600475209 /nfs/dbraw/zinc/47/52/09/600475209.db2.gz NOACKMJCDLSTMU-GOSISDBHSA-N -1 1 375.469 2.338 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000736814577 600487502 /nfs/dbraw/zinc/48/75/02/600487502.db2.gz KDZWYJNEHBECQJ-JTDSTZFVSA-N -1 1 389.496 2.302 20 0 GEADMM CN1CCN(c2cc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)ccn2)CC1 ZINC000737528552 600492921 /nfs/dbraw/zinc/49/29/21/600492921.db2.gz HWTYTQDVQSKBCX-GOSISDBHSA-N -1 1 382.464 2.169 20 0 GEADMM CC[C@@](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000736907836 600493997 /nfs/dbraw/zinc/49/39/97/600493997.db2.gz SWNMZBCCEJBMRB-NRFANRHFSA-N -1 1 394.431 2.189 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCC[C@H](C(=O)N(C)C)C3)c12 ZINC000738363834 600505313 /nfs/dbraw/zinc/50/53/13/600505313.db2.gz NXLIEFQYUWBIOB-RYUDHWBXSA-N -1 1 376.482 2.487 20 0 GEADMM O=C([O-])CCN(CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@@H]1CCCO1 ZINC000739715988 600516459 /nfs/dbraw/zinc/51/64/59/600516459.db2.gz AVNKAPHJCDINTR-FQEVSTJZSA-N -1 1 388.508 2.423 20 0 GEADMM Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1C(=O)[O-] ZINC000578062372 600549762 /nfs/dbraw/zinc/54/97/62/600549762.db2.gz DWZOCZCHIGAKKS-GOSISDBHSA-N -1 1 395.459 2.413 20 0 GEADMM O=C([O-])c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000739406508 600550472 /nfs/dbraw/zinc/55/04/72/600550472.db2.gz HVEQHFLMIFEXCQ-INIZCTEOSA-N -1 1 399.422 2.243 20 0 GEADMM Cc1nc2c(c(=O)n(CN(C)C(C3CC3)C3CC3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872399 600553554 /nfs/dbraw/zinc/55/35/54/600553554.db2.gz TZDMIOJXTLJVQT-UHFFFAOYSA-N -1 1 386.496 2.447 20 0 GEADMM CN(C)[C@@H](CNC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccsc1 ZINC000737359104 600628818 /nfs/dbraw/zinc/62/88/18/600628818.db2.gz SHVUOHFGGRZCSD-NSHDSACASA-N -1 1 383.499 2.431 20 0 GEADMM CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)cc21 ZINC000436993503 600634782 /nfs/dbraw/zinc/63/47/82/600634782.db2.gz CULLRFDDTUEPRA-UHFFFAOYSA-N -1 1 390.417 2.190 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000325369806 600636172 /nfs/dbraw/zinc/63/61/72/600636172.db2.gz BYJPROVLAJYFTL-UHFFFAOYSA-N -1 1 389.838 2.243 20 0 GEADMM CN(C)Cc1cc(CNC(=O)NCc2cccc(OCC(=O)[O-])c2)ccc1F ZINC000737367681 600647697 /nfs/dbraw/zinc/64/76/97/600647697.db2.gz CFBYAHBFHJZODJ-UHFFFAOYSA-N -1 1 389.427 2.350 20 0 GEADMM O=C([O-])COc1cccc(CNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)c1 ZINC000739833137 600648473 /nfs/dbraw/zinc/64/84/73/600648473.db2.gz MVKMHZJCKLSQAW-UHFFFAOYSA-N -1 1 385.401 2.018 20 0 GEADMM O=C([O-])CNC(=O)Cc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1 ZINC000540669747 600656985 /nfs/dbraw/zinc/65/69/85/600656985.db2.gz PLVIYQMXCPFKRA-UHFFFAOYSA-N -1 1 396.378 2.211 20 0 GEADMM O=C([O-])[C@@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1F ZINC000833100916 600657146 /nfs/dbraw/zinc/65/71/46/600657146.db2.gz NRELQWGSCFSCJA-KRWDZBQOSA-N -1 1 385.351 2.191 20 0 GEADMM CCCNC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000509560220 600677850 /nfs/dbraw/zinc/67/78/50/600677850.db2.gz VJFQQINIMNAKJP-UHFFFAOYSA-N -1 1 385.829 2.307 20 0 GEADMM CCN(Cn1cnc(C(=O)[O-])n1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000737107744 600706129 /nfs/dbraw/zinc/70/61/29/600706129.db2.gz ICSCKMYEELOXCH-UHFFFAOYSA-N -1 1 387.488 2.147 20 0 GEADMM CN(C)CCN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000830604404 600710844 /nfs/dbraw/zinc/71/08/44/600710844.db2.gz NQABZHYBRMDPSA-UHFFFAOYSA-N -1 1 382.507 2.241 20 0 GEADMM O=C([O-])CCN(Cn1c(=O)oc2cc(Br)ccc21)C1CCOCC1 ZINC000833235859 600722023 /nfs/dbraw/zinc/72/20/23/600722023.db2.gz IBVPAVJKYOPCEY-UHFFFAOYSA-N -1 1 399.241 2.270 20 0 GEADMM Cc1cc(S(=O)(=O)NCC2(N(C)C)Cc3ccccc3C2)ccc1C(=O)[O-] ZINC000832903709 600762257 /nfs/dbraw/zinc/76/22/57/600762257.db2.gz SFJVWLDPPIMITH-UHFFFAOYSA-N -1 1 388.489 2.071 20 0 GEADMM C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000827948924 600783871 /nfs/dbraw/zinc/78/38/71/600783871.db2.gz IFEYFRIVZBVORR-AWEZNQCLSA-N -1 1 391.493 2.227 20 0 GEADMM C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000827948925 600784164 /nfs/dbraw/zinc/78/41/64/600784164.db2.gz IFEYFRIVZBVORR-CQSZACIVSA-N -1 1 391.493 2.227 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000830855716 600786485 /nfs/dbraw/zinc/78/64/85/600786485.db2.gz FTTAJEKXAJSBRG-CQSZACIVSA-N -1 1 380.491 2.341 20 0 GEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCOC[C@@H]1CCCO1)CC2 ZINC000571810963 600792222 /nfs/dbraw/zinc/79/22/22/600792222.db2.gz PFMFZNNQMRUXPT-DOTOQJQBSA-N -1 1 379.453 2.273 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1C(=O)[O-] ZINC000298862427 600811738 /nfs/dbraw/zinc/81/17/38/600811738.db2.gz PXFVKPATRWBIDL-UHFFFAOYSA-N -1 1 379.438 2.052 20 0 GEADMM CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000299143635 600812788 /nfs/dbraw/zinc/81/27/88/600812788.db2.gz JUCCTQBLVKDHHT-UHFFFAOYSA-N -1 1 399.856 2.317 20 0 GEADMM CC(C)OCCOCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000299365350 600813380 /nfs/dbraw/zinc/81/33/80/600813380.db2.gz CXAHJESRMKIOKQ-UHFFFAOYSA-N -1 1 396.465 2.466 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1C(=O)[O-] ZINC000500352918 600814128 /nfs/dbraw/zinc/81/41/28/600814128.db2.gz WZUACPRKKRZLCF-UHFFFAOYSA-N -1 1 389.389 2.369 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@@H](C)C(=O)Nc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826341621 607470227 /nfs/dbraw/zinc/47/02/27/607470227.db2.gz MDWZCPRKYDGAGO-SNVBAGLBSA-N -1 1 395.423 2.110 20 0 GEADMM C[C@@H](O)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000827803539 600825774 /nfs/dbraw/zinc/82/57/74/600825774.db2.gz NJSABMPLQQDRCB-ZIAGYGMSSA-N -1 1 375.494 2.395 20 0 GEADMM C[C@@H]1CC[N@H+](CCOc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)C1 ZINC000828289897 600828929 /nfs/dbraw/zinc/82/89/29/600828929.db2.gz PIPJJIGVYXNGCO-CYBMUJFWSA-N -1 1 393.465 2.234 20 0 GEADMM C[C@@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)C1 ZINC000828289897 600828930 /nfs/dbraw/zinc/82/89/30/600828930.db2.gz PIPJJIGVYXNGCO-CYBMUJFWSA-N -1 1 393.465 2.234 20 0 GEADMM Cc1sc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)c(C(=O)[O-])c1C ZINC000833035159 600864862 /nfs/dbraw/zinc/86/48/62/600864862.db2.gz PLLIUJYYKZBZGD-CQSZACIVSA-N -1 1 389.477 2.421 20 0 GEADMM CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000388651201 600865394 /nfs/dbraw/zinc/86/53/94/600865394.db2.gz RUMYUSPGCNVZQZ-INIZCTEOSA-N -1 1 391.493 2.008 20 0 GEADMM CCc1ccc([C@H](CNC(=O)C(=O)Nc2sccc2C(=O)[O-])N(C)C)cc1 ZINC000830237895 600865595 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602444639 /nfs/dbraw/zinc/44/46/39/602444639.db2.gz SYPIHULVDYRJTD-ZQIUZPCESA-N -1 1 375.469 2.383 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)cc1F ZINC000739907129 602449950 /nfs/dbraw/zinc/44/99/50/602449950.db2.gz FOEKZBXLTZHKLI-CYBMUJFWSA-N -1 1 381.448 2.161 20 0 GEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739790497 602490691 /nfs/dbraw/zinc/49/06/91/602490691.db2.gz XHYBTRZADSPXJW-UHFFFAOYSA-N -1 1 390.417 2.310 20 0 GEADMM C[C@@](CNC(=O)[O-])(NC(=O)c1n[nH]c2ccc(Br)cc21)C1CC1 ZINC000738924071 602505876 /nfs/dbraw/zinc/50/58/76/602505876.db2.gz HYIJWQFXKRPFQP-HNNXBMFYSA-N -1 1 381.230 2.492 20 0 GEADMM O=S(=O)(Oc1ccc2c(c1)OCO2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493372 607572393 /nfs/dbraw/zinc/57/23/93/607572393.db2.gz HQUWIGNOMUGUPL-UHFFFAOYSA-N -1 1 380.769 2.017 20 0 GEADMM O=S(=O)(Oc1ccc2c(c1)OCO2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493372 607572395 /nfs/dbraw/zinc/57/23/95/607572395.db2.gz HQUWIGNOMUGUPL-UHFFFAOYSA-N -1 1 380.769 2.017 20 0 GEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000740692128 602568625 /nfs/dbraw/zinc/56/86/25/602568625.db2.gz UTEMOWBNMCRUBZ-LJQANCHMSA-N -1 1 382.464 2.041 20 0 GEADMM COc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826192165 607573781 /nfs/dbraw/zinc/57/37/81/607573781.db2.gz BOBPOJYRWXGOMT-UHFFFAOYSA-N -1 1 393.856 2.050 20 0 GEADMM COc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826192165 607573783 /nfs/dbraw/zinc/57/37/83/607573783.db2.gz BOBPOJYRWXGOMT-UHFFFAOYSA-N -1 1 393.856 2.050 20 0 GEADMM CC(=O)Nc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000824000175 607574731 /nfs/dbraw/zinc/57/47/31/607574731.db2.gz YAODFCRZAQDCMF-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM CC(=O)Nc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000824000175 607574733 /nfs/dbraw/zinc/57/47/33/607574733.db2.gz YAODFCRZAQDCMF-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM CC(=O)c1cc(C)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824010372 607575027 /nfs/dbraw/zinc/57/50/27/607575027.db2.gz KSLAVYYGKSVDFO-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CC(=O)c1cc(C)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824010372 607575028 /nfs/dbraw/zinc/57/50/28/607575028.db2.gz KSLAVYYGKSVDFO-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM COc1ccc([C@@H](CNC(=O)NCCN(C)C(=O)[O-])N2CCCCC2)cc1 ZINC000739891459 602610786 /nfs/dbraw/zinc/61/07/86/602610786.db2.gz BZBMHCYSWHAYBC-QGZVFWFLSA-N -1 1 378.473 2.131 20 0 GEADMM CCCN(C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739355020 602611206 /nfs/dbraw/zinc/61/12/06/602611206.db2.gz ZSLGPQOMXJGBOW-FUHWJXTLSA-N -1 1 392.500 2.472 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N1CCCC1 ZINC000739958050 602612293 /nfs/dbraw/zinc/61/22/93/602612293.db2.gz KAUHASSUMWGJLO-ZBFHGGJFSA-N -1 1 378.473 2.130 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])N2CCCC2)c1 ZINC000739946897 602612878 /nfs/dbraw/zinc/61/28/78/602612878.db2.gz YDYROXJXKJBOJN-WMLDXEAASA-N -1 1 378.473 2.130 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825149484 607578474 /nfs/dbraw/zinc/57/84/74/607578474.db2.gz YRUSRMFAOVIDQA-OAHLLOKOSA-N -1 1 391.428 2.444 20 0 GEADMM O=C([O-])Nc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000740712840 602646800 /nfs/dbraw/zinc/64/68/00/602646800.db2.gz BYKCPNUOMGUQJT-UHFFFAOYSA-N -1 1 378.410 2.141 20 0 GEADMM Cc1nn(-c2ccccc2)c(Cl)c1CNCCN1CCN(C(=O)[O-])CC1 ZINC000740243703 602649574 /nfs/dbraw/zinc/64/95/74/602649574.db2.gz SCVMYLSTVJISOZ-UHFFFAOYSA-N -1 1 377.876 2.219 20 0 GEADMM COc1ccccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826219782 607578796 /nfs/dbraw/zinc/57/87/96/607578796.db2.gz QIIADLZGFHZYJY-UHFFFAOYSA-N -1 1 393.856 2.050 20 0 GEADMM COc1ccccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826219782 607578797 /nfs/dbraw/zinc/57/87/97/607578797.db2.gz QIIADLZGFHZYJY-UHFFFAOYSA-N -1 1 393.856 2.050 20 0 GEADMM O=C([O-])N1CCC[C@H](N(Cc2ccccc2)Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000740515816 602680196 /nfs/dbraw/zinc/68/01/96/602680196.db2.gz VANMOUHNDVHHTB-KRWDZBQOSA-N -1 1 381.436 2.167 20 0 GEADMM CC1(C)CN(C2(CNC(=O)N3CCC(NC(=O)[O-])CC3)CCCCC2)CCO1 ZINC000739064751 602683560 /nfs/dbraw/zinc/68/35/60/602683560.db2.gz XNHJAJYWSAWFCA-UHFFFAOYSA-N -1 1 396.532 2.242 20 0 GEADMM Cc1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccc1F ZINC000826267320 607582107 /nfs/dbraw/zinc/58/21/07/607582107.db2.gz ZVLIXIRIDDPCOH-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM Cc1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1F ZINC000826267320 607582108 /nfs/dbraw/zinc/58/21/08/607582108.db2.gz ZVLIXIRIDDPCOH-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739152746 602746684 /nfs/dbraw/zinc/74/66/84/602746684.db2.gz MTWOZIQBTHTMQT-CQSZACIVSA-N -1 1 378.448 2.184 20 0 GEADMM C[C@@H]1CN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC[C@@H]1NC(=O)[O-] ZINC000739184245 602771392 /nfs/dbraw/zinc/77/13/92/602771392.db2.gz WJQALKLWVFEIEC-HIFRSBDPSA-N -1 1 389.477 2.327 20 0 GEADMM Cc1cc(CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000740072095 602776656 /nfs/dbraw/zinc/77/66/56/602776656.db2.gz BSMCDAIXPZNPSL-UHFFFAOYSA-N -1 1 385.302 2.082 20 0 GEADMM O=C([O-])N1CCCc2cc(NC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)ccc21 ZINC000740464914 602826396 /nfs/dbraw/zinc/82/63/96/602826396.db2.gz LLGDULCFWXURQY-MSOLQXFVSA-N -1 1 388.468 2.180 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000739458749 602883319 /nfs/dbraw/zinc/88/33/19/602883319.db2.gz WVHNCPLOVMIFBT-HOTGVXAUSA-N -1 1 389.500 2.433 20 0 GEADMM CC(=O)c1ccc(OCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824029853 607592870 /nfs/dbraw/zinc/59/28/70/607592870.db2.gz RKAYVNMRABTGEP-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM CC(=O)c1ccc(OCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824029853 607592871 /nfs/dbraw/zinc/59/28/71/607592871.db2.gz RKAYVNMRABTGEP-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)NC(=O)[O-] ZINC000824686065 602901750 /nfs/dbraw/zinc/90/17/50/602901750.db2.gz OYXTZSKLAQQMGL-LLVKDONJSA-N -1 1 388.390 2.442 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824641395 607593444 /nfs/dbraw/zinc/59/34/44/607593444.db2.gz VMGUBWRELVGXDV-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM CCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825653521 607595347 /nfs/dbraw/zinc/59/53/47/607595347.db2.gz DNMPSNYWNIDZNA-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM Cc1cccc(OC[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826300127 607596481 /nfs/dbraw/zinc/59/64/81/607596481.db2.gz JYOXTHXTAPIQTA-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1cccc(OC[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826300127 607596482 /nfs/dbraw/zinc/59/64/82/607596482.db2.gz JYOXTHXTAPIQTA-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)N(C)C)c1 ZINC000739945501 602956399 /nfs/dbraw/zinc/95/63/99/602956399.db2.gz LIHPWGLSPQIIQY-VBQJREDUSA-N -1 1 378.473 2.080 20 0 GEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826328426 607597890 /nfs/dbraw/zinc/59/78/90/607597890.db2.gz QXMCAYKPRLPCSZ-UHFFFAOYSA-N -1 1 378.396 2.253 20 0 GEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826328426 607597891 /nfs/dbraw/zinc/59/78/91/607597891.db2.gz QXMCAYKPRLPCSZ-UHFFFAOYSA-N -1 1 378.396 2.253 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CCN1CCOC ZINC000739279867 602997022 /nfs/dbraw/zinc/99/70/22/602997022.db2.gz OXFFTVDXFQPOGN-AWEZNQCLSA-N -1 1 380.445 2.360 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1C[C@H]2CCCCN2C[C@@H]1C)NC(=O)[O-] ZINC000739958273 603000634 /nfs/dbraw/zinc/00/06/34/603000634.db2.gz LCCIDMXPXACCCD-UXLLHSPISA-N -1 1 390.484 2.272 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CC(C)(C)NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739185218 603020084 /nfs/dbraw/zinc/02/00/84/603020084.db2.gz OFOPOJJXPRLLFK-GASCZTMLSA-N -1 1 377.485 2.348 20 0 GEADMM CN(C)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000825879729 607601742 /nfs/dbraw/zinc/60/17/42/607601742.db2.gz PTYNXNSORYHLAX-UHFFFAOYSA-N -1 1 392.872 2.065 20 0 GEADMM CC(C)(C)OC(=O)NC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC000824109581 607604999 /nfs/dbraw/zinc/60/49/99/607604999.db2.gz RRBOPTZHLKHDKR-UHFFFAOYSA-N -1 1 388.428 2.142 20 0 GEADMM CC(C)(C)OC(=O)NC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC000824109581 607605000 /nfs/dbraw/zinc/60/50/00/607605000.db2.gz RRBOPTZHLKHDKR-UHFFFAOYSA-N -1 1 388.428 2.142 20 0 GEADMM O=S(=O)(Oc1ccccc1OC(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826494310 607611076 /nfs/dbraw/zinc/61/10/76/607611076.db2.gz WVXCPMNRSJVTPK-UHFFFAOYSA-N -1 1 386.311 2.375 20 0 GEADMM O=S(=O)(Oc1ccccc1OC(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826494310 607611078 /nfs/dbraw/zinc/61/10/78/607611078.db2.gz WVXCPMNRSJVTPK-UHFFFAOYSA-N -1 1 386.311 2.375 20 0 GEADMM C[C@@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)N1CCc2ccccc2C1 ZINC000738917264 603166589 /nfs/dbraw/zinc/16/65/89/603166589.db2.gz VRVWPOVZUHOIOL-INIZCTEOSA-N -1 1 393.487 2.355 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824257692 603250673 /nfs/dbraw/zinc/25/06/73/603250673.db2.gz UBFZPPYAUGHVAN-CGTJXYLNSA-N -1 1 377.485 2.104 20 0 GEADMM Cc1cccnc1[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000826308049 607617142 /nfs/dbraw/zinc/61/71/42/607617142.db2.gz HDTVIEQOORIQGP-OAHLLOKOSA-N -1 1 390.444 2.385 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487942 607617273 /nfs/dbraw/zinc/61/72/73/607617273.db2.gz DZCNVSAEZTZRMH-TVQRCGJNSA-N -1 1 395.366 2.118 20 0 GEADMM CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826227230 607618311 /nfs/dbraw/zinc/61/83/11/607618311.db2.gz NZAGBNGAYPUIDV-NXEZZACHSA-N -1 1 387.918 2.473 20 0 GEADMM CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826227230 607618312 /nfs/dbraw/zinc/61/83/12/607618312.db2.gz NZAGBNGAYPUIDV-NXEZZACHSA-N -1 1 387.918 2.473 20 0 GEADMM O=S(=O)(N[C@H]1CSc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489042 607618895 /nfs/dbraw/zinc/61/88/95/607618895.db2.gz GKCWUZJKQDUMAF-NSHDSACASA-N -1 1 377.426 2.131 20 0 GEADMM O=S(=O)(N[C@H]1CSc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489042 607618896 /nfs/dbraw/zinc/61/88/96/607618896.db2.gz GKCWUZJKQDUMAF-NSHDSACASA-N -1 1 377.426 2.131 20 0 GEADMM Cc1csc(C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826320633 607619080 /nfs/dbraw/zinc/61/90/80/607619080.db2.gz XSESLPWFBOATSW-UHFFFAOYSA-N -1 1 398.901 2.499 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)N1CCCC1 ZINC000738118478 603294502 /nfs/dbraw/zinc/29/45/02/603294502.db2.gz BVQMSGPBJGVSEW-NVXWUHKLSA-N -1 1 390.484 2.274 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C[C@@H](C)O1 ZINC000739181299 603295249 /nfs/dbraw/zinc/29/52/49/603295249.db2.gz IIRUMLSLYGPBCY-HUUCEWRRSA-N -1 1 390.484 2.344 20 0 GEADMM O=C([O-])N1CC[C@H](CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 ZINC000740502125 603329983 /nfs/dbraw/zinc/32/99/83/603329983.db2.gz DPJZQTKFBUBAFF-CQSZACIVSA-N -1 1 377.876 2.105 20 0 GEADMM O=C([O-])NC[C@@H](C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000832403688 603353016 /nfs/dbraw/zinc/35/30/16/603353016.db2.gz USINXVIHAGUQPR-LJQANCHMSA-N -1 1 382.464 2.214 20 0 GEADMM O=C([O-])NC[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000832401712 603358422 /nfs/dbraw/zinc/35/84/22/603358422.db2.gz BSQUXBKVOUUJMQ-LJQANCHMSA-N -1 1 382.464 2.214 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C[C@@H](C)O1 ZINC000739182423 603362941 /nfs/dbraw/zinc/36/29/41/603362941.db2.gz NSQMHNQJRDMYJT-HUUCEWRRSA-N -1 1 378.473 2.417 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739600936 603380724 /nfs/dbraw/zinc/38/07/24/603380724.db2.gz BQKXPZDYFNILGW-MRXNPFEDSA-N -1 1 388.399 2.273 20 0 GEADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cc1 ZINC000825433285 603382934 /nfs/dbraw/zinc/38/29/34/603382934.db2.gz AGCVQENCFFSCRE-CQSZACIVSA-N -1 1 377.489 2.163 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000740706322 603383094 /nfs/dbraw/zinc/38/30/94/603383094.db2.gz GNTJMSYKYGYICV-QGZVFWFLSA-N -1 1 382.420 2.106 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824640371 607629696 /nfs/dbraw/zinc/62/96/96/607629696.db2.gz HJGJOZJFPABPJI-VIFPVBQESA-N -1 1 379.829 2.265 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000826495621 607630281 /nfs/dbraw/zinc/63/02/81/607630281.db2.gz VBKRKAKSNVRKBH-HNNXBMFYSA-N -1 1 389.412 2.237 20 0 GEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000831998595 603482188 /nfs/dbraw/zinc/48/21/88/603482188.db2.gz VFANJPKKUSGIRX-NXEZZACHSA-N -1 1 388.540 2.442 20 0 GEADMM CCC1(CC)CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000826649464 603492226 /nfs/dbraw/zinc/49/22/26/603492226.db2.gz HCGLPLBDUSYOBB-IFXJQAMLSA-N -1 1 380.489 2.204 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC(N(C)C(=O)[O-])CC3)n[nH]2)cc1OC ZINC000829233380 603536746 /nfs/dbraw/zinc/53/67/46/603536746.db2.gz AWNSRQJIPARSSR-UHFFFAOYSA-N -1 1 388.424 2.308 20 0 GEADMM COc1cccc(CNC(=O)CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829558607 603551563 /nfs/dbraw/zinc/55/15/63/603551563.db2.gz BUOZJKLCNOKUJP-MSOLQXFVSA-N -1 1 375.469 2.308 20 0 GEADMM CN(Cc1ccccc1NC(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC000828400358 603553677 /nfs/dbraw/zinc/55/36/77/603553677.db2.gz YFEFXWNVKPFHOY-UHFFFAOYSA-N -1 1 376.457 2.125 20 0 GEADMM CS(=O)(=O)c1ccc(OCCN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000829695637 603558165 /nfs/dbraw/zinc/55/81/65/603558165.db2.gz JHKRLAYOSYTASE-UHFFFAOYSA-N -1 1 382.482 2.076 20 0 GEADMM CN(CC1CCCCC1)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000828175697 603591291 /nfs/dbraw/zinc/59/12/91/603591291.db2.gz KVDVLACILRLLLA-DNVCBOLYSA-N -1 1 380.489 2.204 20 0 GEADMM CC(C)C[C@@H]1CC[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232895 603592878 /nfs/dbraw/zinc/59/28/78/603592878.db2.gz USRUUMCTNCUZBI-QMTMVMCOSA-N -1 1 380.489 2.060 20 0 GEADMM CC(C)C[C@@H]1CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232895 603592879 /nfs/dbraw/zinc/59/28/79/603592879.db2.gz USRUUMCTNCUZBI-QMTMVMCOSA-N -1 1 380.489 2.060 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)CC1CN(C(=O)[O-])C1)N1CCCCC1 ZINC000829591068 603674776 /nfs/dbraw/zinc/67/47/76/603674776.db2.gz APNLSAWHUGGHMB-KRWDZBQOSA-N -1 1 375.469 2.338 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccncc1 ZINC000825149161 607645202 /nfs/dbraw/zinc/64/52/02/607645202.db2.gz VSGTZRXYARZRBS-ZDUSSCGKSA-N -1 1 378.845 2.345 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832504858 603701529 /nfs/dbraw/zinc/70/15/29/603701529.db2.gz FDPMPNLGBSNSTM-FUHWJXTLSA-N -1 1 389.500 2.172 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832504860 603701587 /nfs/dbraw/zinc/70/15/87/603701587.db2.gz FDPMPNLGBSNSTM-WMZOPIPTSA-N -1 1 389.500 2.172 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CN3CCc4ccccc43)cc2)n1 ZINC000832730503 603736239 /nfs/dbraw/zinc/73/62/39/603736239.db2.gz RYCJONBGTTZKQE-UHFFFAOYSA-N -1 1 392.419 2.241 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CN3CCc4ccccc43)cc2)n[nH]1 ZINC000832730503 603736242 /nfs/dbraw/zinc/73/62/42/603736242.db2.gz RYCJONBGTTZKQE-UHFFFAOYSA-N -1 1 392.419 2.241 20 0 GEADMM COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826216539 607648646 /nfs/dbraw/zinc/64/86/46/607648646.db2.gz CYXFLZYPDOZEEC-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM CCCN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826886972 603756412 /nfs/dbraw/zinc/75/64/12/603756412.db2.gz GCMJAOLIGMOVSA-IBGZPJMESA-N -1 1 388.512 2.039 20 0 GEADMM C[C@H](NC(=O)C(C)(C)CNC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825067109 603797144 /nfs/dbraw/zinc/79/71/44/603797144.db2.gz RYEXAIUOQWETIZ-ZDUSSCGKSA-N -1 1 380.464 2.049 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829311653 603865012 /nfs/dbraw/zinc/86/50/12/603865012.db2.gz PIHUSJNKZQWXIN-XLIONFOSSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1CNC(=O)[O-])N1CCCC1 ZINC000829598907 603888058 /nfs/dbraw/zinc/88/80/58/603888058.db2.gz RFODSXVZUCJRPF-WBVHZDCISA-N -1 1 390.484 2.274 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H]1CNC(=O)[O-])N1CCCC1 ZINC000829598905 603888095 /nfs/dbraw/zinc/88/80/95/603888095.db2.gz RFODSXVZUCJRPF-NVXWUHKLSA-N -1 1 390.484 2.274 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])N2CCCC2)c1 ZINC000829542727 603889540 /nfs/dbraw/zinc/88/95/40/603889540.db2.gz AZBOCUSBXOPMRS-WMZOPIPTSA-N -1 1 390.484 2.274 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829544280 603890584 /nfs/dbraw/zinc/89/05/84/603890584.db2.gz USCZGFQXHNIXOW-NXHRZFHOSA-N -1 1 392.500 2.424 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1CCOCC1 ZINC000825146581 607658760 /nfs/dbraw/zinc/65/87/60/607658760.db2.gz DIGXQTKCMJREJP-GFCCVEGCSA-N -1 1 385.877 2.004 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CCOCC1 ZINC000825146581 607658762 /nfs/dbraw/zinc/65/87/62/607658762.db2.gz DIGXQTKCMJREJP-GFCCVEGCSA-N -1 1 385.877 2.004 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cnn4ccccc34)cc2)n1 ZINC000832730583 603910803 /nfs/dbraw/zinc/91/08/03/603910803.db2.gz VPIOUTZESFRNPP-UHFFFAOYSA-N -1 1 377.364 2.139 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cnn4ccccc34)cc2)n[nH]1 ZINC000832730583 603910805 /nfs/dbraw/zinc/91/08/05/603910805.db2.gz VPIOUTZESFRNPP-UHFFFAOYSA-N -1 1 377.364 2.139 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)n1 ZINC000832729127 603913290 /nfs/dbraw/zinc/91/32/90/603913290.db2.gz BQPYMBJMSGQLMH-UHFFFAOYSA-N -1 1 393.363 2.074 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)n[nH]1 ZINC000832729127 603913294 /nfs/dbraw/zinc/91/32/94/603913294.db2.gz BQPYMBJMSGQLMH-UHFFFAOYSA-N -1 1 393.363 2.074 20 0 GEADMM CC1(C)CN(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000825728864 603915539 /nfs/dbraw/zinc/91/55/39/603915539.db2.gz DEEBJRKAASPKOE-UHFFFAOYSA-N -1 1 388.468 2.216 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000832514550 603920113 /nfs/dbraw/zinc/92/01/13/603920113.db2.gz NIESQYVLKCWKLG-JQWIXIFHSA-N -1 1 376.438 2.180 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)c1c(C)n[nH]c1C(F)(F)F)NC(=O)[O-] ZINC000829599420 603934974 /nfs/dbraw/zinc/93/49/74/603934974.db2.gz VFILYQNGNXAQIC-JTQLQIEISA-N -1 1 386.330 2.484 20 0 GEADMM O=C([O-])N1CCc2c1cccc2NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000831433066 603955094 /nfs/dbraw/zinc/95/50/94/603955094.db2.gz PMAGFEZOELMWQH-UHFFFAOYSA-N -1 1 393.403 2.362 20 0 GEADMM CCS[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825668784 607662510 /nfs/dbraw/zinc/66/25/10/607662510.db2.gz KBWCPIVIMGVCGA-RYUDHWBXSA-N -1 1 385.490 2.348 20 0 GEADMM CCOC(=O)c1sc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1C ZINC000827360957 603988175 /nfs/dbraw/zinc/98/81/75/603988175.db2.gz BSFRUMONYJOCDW-UHFFFAOYSA-N -1 1 383.470 2.246 20 0 GEADMM O=C([O-])NC[C@@H]1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000832590026 604046383 /nfs/dbraw/zinc/04/63/83/604046383.db2.gz OVRWACXBKPUWTE-WFASDCNBSA-N -1 1 383.395 2.373 20 0 GEADMM C[C@@H](NC(=O)[C@]1(C)CCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825073904 604051923 /nfs/dbraw/zinc/05/19/23/604051923.db2.gz DNKZHQLGVXMWBZ-JLTOFOAXSA-N -1 1 392.475 2.145 20 0 GEADMM Cc1cc(F)ccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826268538 607669417 /nfs/dbraw/zinc/66/94/17/607669417.db2.gz BSTUQKRRPVLFLD-UHFFFAOYSA-N -1 1 395.847 2.489 20 0 GEADMM Cc1cc(F)ccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826268538 607669418 /nfs/dbraw/zinc/66/94/18/607669418.db2.gz BSTUQKRRPVLFLD-UHFFFAOYSA-N -1 1 395.847 2.489 20 0 GEADMM O=C([O-])N1CCC(CN2CCN(C(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000831878455 604064516 /nfs/dbraw/zinc/06/45/16/604064516.db2.gz JDMQMIMYHGKTAB-UHFFFAOYSA-N -1 1 379.888 2.417 20 0 GEADMM O=C([O-])N1CCCc2cc(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)ccc21 ZINC000831772772 604140417 /nfs/dbraw/zinc/14/04/17/604140417.db2.gz OTSCDWAORHYWSD-HNNXBMFYSA-N -1 1 388.468 2.303 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736807992 604155944 /nfs/dbraw/zinc/15/59/44/604155944.db2.gz HUSFJDVWDOPMBM-GASCZTMLSA-N -1 1 378.473 2.118 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825251685 604182187 /nfs/dbraw/zinc/18/21/87/604182187.db2.gz ADMIYBBAHZEAQE-BFHYXJOUSA-N -1 1 377.441 2.153 20 0 GEADMM O=S(=O)(NCC1(Cc2ccccc2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490373 607679037 /nfs/dbraw/zinc/67/90/37/607679037.db2.gz SPMBQHBEYXQYLR-UHFFFAOYSA-N -1 1 387.440 2.307 20 0 GEADMM O=S(=O)(NCC1(Cc2ccccc2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490373 607679038 /nfs/dbraw/zinc/67/90/38/607679038.db2.gz SPMBQHBEYXQYLR-UHFFFAOYSA-N -1 1 387.440 2.307 20 0 GEADMM Cc1cccc(N2CCN(C(=O)CN3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)CC2)c1 ZINC000830506312 604216175 /nfs/dbraw/zinc/21/61/75/604216175.db2.gz ZOZXHZHNJLZLIA-MSOLQXFVSA-N -1 1 388.512 2.012 20 0 GEADMM CCC(CC)[C@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)OC ZINC000825096352 607679431 /nfs/dbraw/zinc/67/94/31/607679431.db2.gz MMCRHBQXONVQLC-AWEZNQCLSA-N -1 1 385.465 2.125 20 0 GEADMM C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825254151 604239798 /nfs/dbraw/zinc/23/97/98/604239798.db2.gz LTEFBAOPLZBDMU-XQQFMLRXSA-N -1 1 380.420 2.230 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1C ZINC000830386347 604258658 /nfs/dbraw/zinc/25/86/58/604258658.db2.gz KRPFUNWTJJGLFG-CABCVRRESA-N -1 1 376.457 2.320 20 0 GEADMM CCc1nc([C@@H]2CN(c3nc(C)nc4sc(C(=O)[O-])c(C)c43)CCO2)n[nH]1 ZINC000830304442 604273613 /nfs/dbraw/zinc/27/36/13/604273613.db2.gz LADANDZQYWGPKN-JTQLQIEISA-N -1 1 388.453 2.265 20 0 GEADMM CCOCCN1CCN(C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)C[C@H]1CC ZINC000827399668 604356572 /nfs/dbraw/zinc/35/65/72/604356572.db2.gz MGONCXGIKMLJIB-OKZBNKHCSA-N -1 1 383.533 2.362 20 0 GEADMM CCOCCN1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)C[C@@H]1CC ZINC000827399667 604356651 /nfs/dbraw/zinc/35/66/51/604356651.db2.gz MGONCXGIKMLJIB-KSZLIROESA-N -1 1 383.533 2.362 20 0 GEADMM C[C@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678298 604359855 /nfs/dbraw/zinc/35/98/55/604359855.db2.gz BBUXNMXWOLETIT-HIFRSBDPSA-N -1 1 390.484 2.202 20 0 GEADMM O=C([O-])NCCN1CCC(Oc2ccccc2I)CC1 ZINC000832641578 604371013 /nfs/dbraw/zinc/37/10/13/604371013.db2.gz BBGUGHUJXHURLN-UHFFFAOYSA-N -1 1 390.221 2.402 20 0 GEADMM CCC[C@H](NC(=O)c1cnc2ccc(Br)cc2c1O)c1nn[n-]n1 ZINC000444266278 649943697 /nfs/dbraw/zinc/94/36/97/649943697.db2.gz CRABKQXJKBXIDD-LBPRGKRZSA-N -1 1 391.229 2.075 20 0 GEADMM COC(=O)c1cc(CNC(C)(C)C(=O)NCC2CCCC2)cc(C(=O)[O-])c1 ZINC000833713197 604483890 /nfs/dbraw/zinc/48/38/90/604483890.db2.gz SXJDXDNBRVPVEM-UHFFFAOYSA-N -1 1 376.453 2.346 20 0 GEADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000832040359 604500668 /nfs/dbraw/zinc/50/06/68/604500668.db2.gz DSOLUTZNUPJPGE-CABCVRRESA-N -1 1 377.359 2.465 20 0 GEADMM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000826095775 604531660 /nfs/dbraw/zinc/53/16/60/604531660.db2.gz NINBCJUUUGGNTP-GOSISDBHSA-N -1 1 389.496 2.345 20 0 GEADMM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(=O)Nc2cnccc21 ZINC000444297950 649945816 /nfs/dbraw/zinc/94/58/16/649945816.db2.gz ZRRPLZFIASIGJR-UHFFFAOYSA-N -1 1 399.204 2.285 20 0 GEADMM Cc1nnc([C@H]2CN(C(=O)N[C@H](c3ccccc3)C(C)(C)C(=O)[O-])CCO2)[nH]1 ZINC000832991938 604536940 /nfs/dbraw/zinc/53/69/40/604536940.db2.gz SDCIQJJLSCAXLI-HUUCEWRRSA-N -1 1 387.440 2.048 20 0 GEADMM CCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000362177459 604537007 /nfs/dbraw/zinc/53/70/07/604537007.db2.gz KUPKRPKTPCQISS-UHFFFAOYSA-N -1 1 386.433 2.462 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])C1)N1CCCCC1 ZINC000739955866 604592916 /nfs/dbraw/zinc/59/29/16/604592916.db2.gz CXPUCPGBPCTJEL-NVXWUHKLSA-N -1 1 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C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000833626677 605168476 /nfs/dbraw/zinc/16/84/76/605168476.db2.gz RCPCZJKJFVTGAL-CYBMUJFWSA-N -1 1 376.844 2.147 20 0 GEADMM CC(C)(C(=O)[O-])[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000833414029 605180507 /nfs/dbraw/zinc/18/05/07/605180507.db2.gz POFVZMAOYVMRRE-QGZVFWFLSA-N -1 1 387.461 2.450 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000833628916 605191914 /nfs/dbraw/zinc/19/19/14/605191914.db2.gz QGFOELOOOKKIER-QGZVFWFLSA-N -1 1 388.512 2.096 20 0 GEADMM CC(C)N(CCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C(=O)OC(C)(C)C ZINC000833496490 605207575 /nfs/dbraw/zinc/20/75/75/605207575.db2.gz GJLOZFHZRLVEMN-OAHLLOKOSA-N -1 1 385.505 2.029 20 0 GEADMM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000831513110 605240232 /nfs/dbraw/zinc/24/02/32/605240232.db2.gz NRCDBRRMJDNRSE-CVEARBPZSA-N -1 1 379.457 2.082 20 0 GEADMM C[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CCN1CCC(=O)[O-] ZINC000833619923 605254060 /nfs/dbraw/zinc/25/40/60/605254060.db2.gz DZNUYVSEZPJPAV-CYBMUJFWSA-N -1 1 376.844 2.147 20 0 GEADMM Cc1ccc(-c2nc(CC(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)cs2)o1 ZINC000833747013 605255351 /nfs/dbraw/zinc/25/53/51/605255351.db2.gz XCSLJJNSUBYHJO-GFCCVEGCSA-N -1 1 377.466 2.261 20 0 GEADMM COc1cc(C)cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826178462 607744305 /nfs/dbraw/zinc/74/43/05/607744305.db2.gz ZAMWRSBSDIKYJZ-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@@H](C)c2cncc(F)c2)cc(C(=O)[O-])c1 ZINC000833713089 605271763 /nfs/dbraw/zinc/27/17/63/605271763.db2.gz NACBVAXVRQPGOU-WDEREUQCSA-N -1 1 389.383 2.383 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)n1Cc1ccccn1 ZINC000833741794 605279645 /nfs/dbraw/zinc/27/96/45/605279645.db2.gz ACMKIVVGTNQPHY-MRXNPFEDSA-N -1 1 384.480 2.169 20 0 GEADMM C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCN1C[C@H](O)c1ccccc1 ZINC000833629133 605296674 /nfs/dbraw/zinc/29/66/74/605296674.db2.gz FKZKLBGEJFVPFS-UTKZUKDTSA-N -1 1 384.476 2.390 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CCC(C)(C)CC1 ZINC000825000625 607750373 /nfs/dbraw/zinc/75/03/73/607750373.db2.gz UDYOSCQAPCTJNZ-CQSZACIVSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CCC(C)(C)CC1 ZINC000825000625 607750374 /nfs/dbraw/zinc/75/03/74/607750374.db2.gz UDYOSCQAPCTJNZ-CQSZACIVSA-N -1 1 398.515 2.300 20 0 GEADMM O=C([O-])N1CC[C@@](F)(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834085079 605374409 /nfs/dbraw/zinc/37/44/09/605374409.db2.gz PHYJWKMXGBPYIC-KUHUBIRLSA-N -1 1 387.415 2.270 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CCCS(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000834179811 605432544 /nfs/dbraw/zinc/43/25/44/605432544.db2.gz ISOOJROJUUMQAJ-KBRIMQKVSA-N -1 1 384.473 2.358 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]21 ZINC000834187681 605458590 /nfs/dbraw/zinc/45/85/90/605458590.db2.gz LHKPDUUGRSHFAN-CWRNSKLLSA-N -1 1 375.473 2.305 20 0 GEADMM CCCN(CCS(=O)(=O)c1cccc(OC)c1)C1CCN(C(=O)[O-])CC1 ZINC000826912133 605472445 /nfs/dbraw/zinc/47/24/45/605472445.db2.gz QLLDWLXIDAZIHX-UHFFFAOYSA-N -1 1 384.498 2.323 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000830084527 605474340 /nfs/dbraw/zinc/47/43/40/605474340.db2.gz JNKMPDARUBKCLJ-HZPDHXFCSA-N -1 1 389.500 2.399 20 0 GEADMM Cc1cc(CNC(=O)N2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000833745891 605508308 /nfs/dbraw/zinc/50/83/08/605508308.db2.gz XKHKIPASFHFEGC-INIZCTEOSA-N -1 1 391.859 2.025 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000830084019 605578619 /nfs/dbraw/zinc/57/86/19/605578619.db2.gz DYIRHJHIXBKZMJ-MRXNPFEDSA-N -1 1 392.525 2.171 20 0 GEADMM O=C([O-])N1CCC[C@H](N(CC[C@H]2CCS(=O)(=O)C2)Cc2ccccc2)C1 ZINC000834098326 605596357 /nfs/dbraw/zinc/59/63/57/605596357.db2.gz JLKNNNWRIINYNB-ROUUACIJSA-N -1 1 380.510 2.456 20 0 GEADMM C[C@H](CNC(=O)C[C@@H]1CSCCN1C(=O)[O-])N1CCc2ccccc2C1 ZINC000824920987 605603849 /nfs/dbraw/zinc/60/38/49/605603849.db2.gz AGEFTJLDTQRCCQ-RHSMWYFYSA-N -1 1 377.510 2.035 20 0 GEADMM C[C@H](C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833791975 605618805 /nfs/dbraw/zinc/61/88/05/605618805.db2.gz XDLYFVYURSIXEY-ZUZCIYMTSA-N -1 1 381.392 2.245 20 0 GEADMM O=C([O-])N1CC[C@@]2(C1)C[C@H](NCCNC(=O)c1ccco1)c1ccccc1O2 ZINC000834042630 605629553 /nfs/dbraw/zinc/62/95/53/605629553.db2.gz ZVCNAXALSDJTKK-YWZLYKJASA-N -1 1 385.420 2.245 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833790492 605654145 /nfs/dbraw/zinc/65/41/45/605654145.db2.gz OOQJQHWWWFEFGQ-ZDUSSCGKSA-N -1 1 377.441 2.454 20 0 GEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)CN3CCC(NC(=O)[O-])CC3)[nH]c2c1 ZINC000830433436 605676727 /nfs/dbraw/zinc/67/67/27/605676727.db2.gz UHMXTXUHIBHIGJ-QGZVFWFLSA-N -1 1 385.468 2.267 20 0 GEADMM C[C@@H](NC(=O)CN1CCC(NC(=O)[O-])CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825121654 605716221 /nfs/dbraw/zinc/71/62/21/605716221.db2.gz NRKUSQZCWBPEFM-SNVBAGLBSA-N -1 1 379.848 2.126 20 0 GEADMM O=C([O-])N(CCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C1CC1 ZINC000834041276 605820554 /nfs/dbraw/zinc/82/05/54/605820554.db2.gz ZKLRKNPEUIEILU-CYBMUJFWSA-N -1 1 376.461 2.104 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3OCCc4ccccc43)cc2)n1 ZINC000834246733 605822429 /nfs/dbraw/zinc/82/24/29/605822429.db2.gz ISHPPPLHJWCXAP-KRWDZBQOSA-N -1 1 393.403 2.492 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3OCCc4ccccc43)cc2)n[nH]1 ZINC000834246733 605822435 /nfs/dbraw/zinc/82/24/35/605822435.db2.gz ISHPPPLHJWCXAP-KRWDZBQOSA-N -1 1 393.403 2.492 20 0 GEADMM CS(=O)(=O)c1cccc(Oc2ncccc2CN[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000829699578 605855145 /nfs/dbraw/zinc/85/51/45/605855145.db2.gz MDUIJSYWMKTCRD-CQSZACIVSA-N -1 1 391.449 2.119 20 0 GEADMM O=C([O-])N1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000831964301 605861619 /nfs/dbraw/zinc/86/16/19/605861619.db2.gz VAAVRNRYFUVCEP-INIZCTEOSA-N -1 1 393.440 2.468 20 0 GEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000833831021 605880916 /nfs/dbraw/zinc/88/09/16/605880916.db2.gz MDYVLXSRKZJBNA-TZMCWYRMSA-N -1 1 385.411 2.224 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833788757 605892494 /nfs/dbraw/zinc/89/24/94/605892494.db2.gz CQRWPHQAOBSTNA-LBPRGKRZSA-N -1 1 387.440 2.061 20 0 GEADMM O=C([O-])N1CCC2(CCN(CCCS(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000834093818 605897959 /nfs/dbraw/zinc/89/79/59/605897959.db2.gz OEUSLRZFYWVLON-UHFFFAOYSA-N -1 1 384.473 2.455 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@@H]1NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000834172511 605985968 /nfs/dbraw/zinc/98/59/68/605985968.db2.gz BGNOUBYSIFCFTH-HOTGVXAUSA-N -1 1 381.498 2.140 20 0 GEADMM C[C@@H](CCNS(=O)(=O)c1cc(F)c(Br)cc1F)NC(=O)[O-] ZINC000833805582 606101048 /nfs/dbraw/zinc/10/10/48/606101048.db2.gz RGOWGSMMMRBCQQ-LURJTMIESA-N -1 1 387.202 2.052 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC1C2CC3CC(C2)CC1C3 ZINC000823026758 606134607 /nfs/dbraw/zinc/13/46/07/606134607.db2.gz FLKXTFAQBBGMGL-UHFFFAOYSA-N -1 1 387.465 2.026 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC1C2CC3CC(C2)CC1C3 ZINC000823026758 606134609 /nfs/dbraw/zinc/13/46/09/606134609.db2.gz FLKXTFAQBBGMGL-UHFFFAOYSA-N -1 1 387.465 2.026 20 0 GEADMM CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820086619 606136133 /nfs/dbraw/zinc/13/61/33/606136133.db2.gz CFHNUZSKOWLQQD-UHFFFAOYSA-N -1 1 391.375 2.132 20 0 GEADMM CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820086619 606136134 /nfs/dbraw/zinc/13/61/34/606136134.db2.gz CFHNUZSKOWLQQD-UHFFFAOYSA-N -1 1 391.375 2.132 20 0 GEADMM COc1ccc(-c2nnc(COC(=O)c3ccc(-c4nnn[n-]4)s3)o2)cc1 ZINC000821731796 606136589 /nfs/dbraw/zinc/13/65/89/606136589.db2.gz GRSWNSYSOGHWFJ-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM COc1ccc(-c2nnc(COC(=O)c3ccc(-c4nn[n-]n4)s3)o2)cc1 ZINC000821731796 606136590 /nfs/dbraw/zinc/13/65/90/606136590.db2.gz GRSWNSYSOGHWFJ-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM COc1ccc(-c2nc(COC(=O)c3ccc(-c4nnn[n-]4)s3)no2)cc1 ZINC000821733082 606139739 /nfs/dbraw/zinc/13/97/39/606139739.db2.gz ZTVOCSQKTPRELJ-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM COc1ccc(-c2nc(COC(=O)c3ccc(-c4nn[n-]n4)s3)no2)cc1 ZINC000821733082 606139741 /nfs/dbraw/zinc/13/97/41/606139741.db2.gz ZTVOCSQKTPRELJ-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM Cn1cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822694003 606145109 /nfs/dbraw/zinc/14/51/09/606145109.db2.gz QYISKAVWFAPDNA-INIZCTEOSA-N -1 1 390.444 2.260 20 0 GEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822424088 606150893 /nfs/dbraw/zinc/15/08/93/606150893.db2.gz QWBOBLSVTIKAGA-UHFFFAOYSA-N -1 1 381.440 2.240 20 0 GEADMM CC(C)CCOc1ccccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820076332 606155098 /nfs/dbraw/zinc/15/50/98/606155098.db2.gz HHOYFOIKELSNGX-UHFFFAOYSA-N -1 1 384.444 2.347 20 0 GEADMM CC(C)CCOc1ccccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820076332 606155100 /nfs/dbraw/zinc/15/51/00/606155100.db2.gz HHOYFOIKELSNGX-UHFFFAOYSA-N -1 1 384.444 2.347 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](CSc3ccccc3)C2)n1 ZINC000822609106 606159044 /nfs/dbraw/zinc/15/90/44/606159044.db2.gz JVMGUAZDINDIOF-LBPRGKRZSA-N -1 1 384.469 2.246 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](CSc3ccccc3)C2)n1 ZINC000822609106 606159045 /nfs/dbraw/zinc/15/90/45/606159045.db2.gz JVMGUAZDINDIOF-LBPRGKRZSA-N -1 1 384.469 2.246 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820380133 606161956 /nfs/dbraw/zinc/16/19/56/606161956.db2.gz LTTIIIVYKPPFLW-QMMMGPOBSA-N -1 1 391.233 2.245 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820380133 606161958 /nfs/dbraw/zinc/16/19/58/606161958.db2.gz LTTIIIVYKPPFLW-QMMMGPOBSA-N -1 1 391.233 2.245 20 0 GEADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821596248 606162791 /nfs/dbraw/zinc/16/27/91/606162791.db2.gz FDDUWISOFHUAFH-HOCLYGCPSA-N -1 1 396.455 2.232 20 0 GEADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821596248 606162792 /nfs/dbraw/zinc/16/27/92/606162792.db2.gz FDDUWISOFHUAFH-HOCLYGCPSA-N -1 1 396.455 2.232 20 0 GEADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821596249 606162798 /nfs/dbraw/zinc/16/27/98/606162798.db2.gz FDDUWISOFHUAFH-ZBFHGGJFSA-N -1 1 396.455 2.232 20 0 GEADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821596249 606162799 /nfs/dbraw/zinc/16/27/99/606162799.db2.gz FDDUWISOFHUAFH-ZBFHGGJFSA-N -1 1 396.455 2.232 20 0 GEADMM COc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000821765770 606163417 /nfs/dbraw/zinc/16/34/17/606163417.db2.gz KGIQGRUDELUNMA-CMDGGOBGSA-N -1 1 375.385 2.427 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000822620205 606167489 /nfs/dbraw/zinc/16/74/89/606167489.db2.gz LPHVQBDLPATEAM-UHFFFAOYSA-N -1 1 385.819 2.099 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000822620205 606167491 /nfs/dbraw/zinc/16/74/91/606167491.db2.gz LPHVQBDLPATEAM-UHFFFAOYSA-N -1 1 385.819 2.099 20 0 GEADMM CCOc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(C)C)cc1 ZINC000821418260 606169911 /nfs/dbraw/zinc/16/99/11/606169911.db2.gz YGUJKFOYIZLYEV-UHFFFAOYSA-N -1 1 384.444 2.441 20 0 GEADMM CCOc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(C)C)cc1 ZINC000821418260 606169913 /nfs/dbraw/zinc/16/99/13/606169913.db2.gz YGUJKFOYIZLYEV-UHFFFAOYSA-N -1 1 384.444 2.441 20 0 GEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000820920128 606171840 /nfs/dbraw/zinc/17/18/40/606171840.db2.gz LMHXREZPIBWVOV-LLVKDONJSA-N -1 1 392.370 2.474 20 0 GEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000820920128 606171841 /nfs/dbraw/zinc/17/18/41/606171841.db2.gz LMHXREZPIBWVOV-LLVKDONJSA-N -1 1 392.370 2.474 20 0 GEADMM O=C(CSc1ccccc1O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823071063 606172071 /nfs/dbraw/zinc/17/20/71/606172071.db2.gz ZORSUBUIOBVDMK-UHFFFAOYSA-N -1 1 393.432 2.489 20 0 GEADMM O=C(CSc1ccccc1O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823071063 606172072 /nfs/dbraw/zinc/17/20/72/606172072.db2.gz ZORSUBUIOBVDMK-UHFFFAOYSA-N -1 1 393.432 2.489 20 0 GEADMM O=C(Oc1ccc(O[C@H]2CCCCNC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454057 606178181 /nfs/dbraw/zinc/17/81/81/606178181.db2.gz KGGCXNHIWWUYGW-ZDUSSCGKSA-N -1 1 399.432 2.195 20 0 GEADMM O=C(Oc1ccc(O[C@H]2CCCCNC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454057 606178182 /nfs/dbraw/zinc/17/81/82/606178182.db2.gz KGGCXNHIWWUYGW-ZDUSSCGKSA-N -1 1 399.432 2.195 20 0 GEADMM C[C@@]1(CCc2ccccc2)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820612924 606240222 /nfs/dbraw/zinc/24/02/22/606240222.db2.gz NXCXJXMUOYIWRU-LJQANCHMSA-N -1 1 398.492 2.295 20 0 GEADMM C[C@@]1(CCc2ccccc2)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820612924 606240224 /nfs/dbraw/zinc/24/02/24/606240224.db2.gz NXCXJXMUOYIWRU-LJQANCHMSA-N -1 1 398.492 2.295 20 0 GEADMM CCCNC(=O)Nc1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821114516 606295454 /nfs/dbraw/zinc/29/54/54/606295454.db2.gz VNTQVEUPZIKZRL-UHFFFAOYSA-N -1 1 395.423 2.285 20 0 GEADMM COc1ccccc1-c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])no1 ZINC000821877284 606297731 /nfs/dbraw/zinc/29/77/31/606297731.db2.gz GKEIGWFNFSSZHK-UHFFFAOYSA-N -1 1 378.348 2.488 20 0 GEADMM C[C@@]1(O)CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000820628748 606311956 /nfs/dbraw/zinc/31/19/56/606311956.db2.gz NEYIZPZMCHPWHA-LJQANCHMSA-N -1 1 383.383 2.395 20 0 GEADMM C[C@@]1(O)CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000820628748 606311958 /nfs/dbraw/zinc/31/19/58/606311958.db2.gz NEYIZPZMCHPWHA-LJQANCHMSA-N -1 1 383.383 2.395 20 0 GEADMM C[C@]1(O)CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000820628747 606312283 /nfs/dbraw/zinc/31/22/83/606312283.db2.gz NEYIZPZMCHPWHA-IBGZPJMESA-N -1 1 383.383 2.395 20 0 GEADMM C[C@]1(O)CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000820628747 606312285 /nfs/dbraw/zinc/31/22/85/606312285.db2.gz NEYIZPZMCHPWHA-IBGZPJMESA-N -1 1 383.383 2.395 20 0 GEADMM Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822280406 606331583 /nfs/dbraw/zinc/33/15/83/606331583.db2.gz MNMQIFGTVLWMFP-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822280406 606331585 /nfs/dbraw/zinc/33/15/85/606331585.db2.gz MNMQIFGTVLWMFP-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM CCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC(C)C)=C1C ZINC000821243007 606393157 /nfs/dbraw/zinc/39/31/57/606393157.db2.gz YEDMJJZRELYKAZ-ZDUSSCGKSA-N -1 1 376.442 2.240 20 0 GEADMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1C ZINC000821033655 606393483 /nfs/dbraw/zinc/39/34/83/606393483.db2.gz CYNFIGMTERHCLL-ZDUSSCGKSA-N -1 1 376.442 2.242 20 0 GEADMM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1 ZINC000820642836 606394901 /nfs/dbraw/zinc/39/49/01/606394901.db2.gz LZXQFDFLROJQCV-HNNXBMFYSA-N -1 1 396.432 2.300 20 0 GEADMM CCC1=C(C(=O)OC)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1CC1CC1 ZINC000820965972 606395295 /nfs/dbraw/zinc/39/52/95/606395295.db2.gz BCGCZGHEHHYKNH-CQSZACIVSA-N -1 1 388.453 2.242 20 0 GEADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000821619359 606465903 /nfs/dbraw/zinc/46/59/03/606465903.db2.gz SNKZUWFCTPPUKQ-CYBMUJFWSA-N -1 1 387.806 2.296 20 0 GEADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000821619359 606465905 /nfs/dbraw/zinc/46/59/05/606465905.db2.gz SNKZUWFCTPPUKQ-CYBMUJFWSA-N -1 1 387.806 2.296 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccc(O)cc1 ZINC000821640652 606465985 /nfs/dbraw/zinc/46/59/85/606465985.db2.gz MCAKFUOOSOMSSN-LLVKDONJSA-N -1 1 388.815 2.065 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccc(O)cc1 ZINC000821640652 606465987 /nfs/dbraw/zinc/46/59/87/606465987.db2.gz MCAKFUOOSOMSSN-LLVKDONJSA-N -1 1 388.815 2.065 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nccn1C ZINC000821883343 606498574 /nfs/dbraw/zinc/49/85/74/606498574.db2.gz TWXFBASUHPZLFV-OAHLLOKOSA-N -1 1 395.448 2.190 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nccn1C ZINC000821883343 606498576 /nfs/dbraw/zinc/49/85/76/606498576.db2.gz TWXFBASUHPZLFV-OAHLLOKOSA-N -1 1 395.448 2.190 20 0 GEADMM Cc1cc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)nc(C(C)C)n1 ZINC000822206975 606521763 /nfs/dbraw/zinc/52/17/63/606521763.db2.gz GPOBQSJNTCBKDL-UHFFFAOYSA-N -1 1 398.496 2.112 20 0 GEADMM Nc1cc(CCCNC(=O)c2ccc(-c3nnn[n-]3)s2)nn1-c1ccccc1 ZINC000822907437 606525122 /nfs/dbraw/zinc/52/51/22/606525122.db2.gz MNEABBJZUUJKNN-UHFFFAOYSA-N -1 1 394.464 2.059 20 0 GEADMM Nc1cc(CCCNC(=O)c2ccc(-c3nn[n-]n3)s2)nn1-c1ccccc1 ZINC000822907437 606525124 /nfs/dbraw/zinc/52/51/24/606525124.db2.gz MNEABBJZUUJKNN-UHFFFAOYSA-N -1 1 394.464 2.059 20 0 GEADMM O=C(CCCOc1cccc(Br)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822959096 606532620 /nfs/dbraw/zinc/53/26/20/606532620.db2.gz RIQGSBZTIWIJKI-UHFFFAOYSA-N -1 1 392.217 2.150 20 0 GEADMM O=C(CCCOc1cccc(Br)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822959096 606532622 /nfs/dbraw/zinc/53/26/22/606532622.db2.gz RIQGSBZTIWIJKI-UHFFFAOYSA-N -1 1 392.217 2.150 20 0 GEADMM Cc1nc2cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)ccc2n1-c1ccccc1 ZINC000822459280 606532746 /nfs/dbraw/zinc/53/27/46/606532746.db2.gz PMQJAJBMGHOVDS-UHFFFAOYSA-N -1 1 385.391 2.489 20 0 GEADMM Cc1nc2cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)ccc2n1-c1ccccc1 ZINC000822459280 606532747 /nfs/dbraw/zinc/53/27/47/606532747.db2.gz PMQJAJBMGHOVDS-UHFFFAOYSA-N -1 1 385.391 2.489 20 0 GEADMM O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175459 606536609 /nfs/dbraw/zinc/53/66/09/606536609.db2.gz IXLYXMVTWYYZJA-JTQLQIEISA-N -1 1 390.419 2.463 20 0 GEADMM O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175459 606536611 /nfs/dbraw/zinc/53/66/11/606536611.db2.gz IXLYXMVTWYYZJA-JTQLQIEISA-N -1 1 390.419 2.463 20 0 GEADMM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819940051 606541671 /nfs/dbraw/zinc/54/16/71/606541671.db2.gz NXBRYSDSMADMJS-UHFFFAOYSA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819940051 606541673 /nfs/dbraw/zinc/54/16/73/606541673.db2.gz NXBRYSDSMADMJS-UHFFFAOYSA-N -1 1 392.485 2.305 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(Cc2ccccc2)no1 ZINC000820396894 606544313 /nfs/dbraw/zinc/54/43/13/606544313.db2.gz JGPYVMFGCIYJHF-SNVBAGLBSA-N -1 1 381.421 2.393 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(Cc2ccccc2)no1 ZINC000820396894 606544315 /nfs/dbraw/zinc/54/43/15/606544315.db2.gz JGPYVMFGCIYJHF-SNVBAGLBSA-N -1 1 381.421 2.393 20 0 GEADMM CCCCNC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC000821066904 606545588 /nfs/dbraw/zinc/54/55/88/606545588.db2.gz YDYYDPNZBAIBDT-UHFFFAOYSA-N -1 1 376.486 2.277 20 0 GEADMM CCCCNC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000821066904 606545589 /nfs/dbraw/zinc/54/55/89/606545589.db2.gz YDYYDPNZBAIBDT-UHFFFAOYSA-N -1 1 376.486 2.277 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000823483574 606548457 /nfs/dbraw/zinc/54/84/57/606548457.db2.gz JPOYXRBZVCPVOY-GFCCVEGCSA-N -1 1 377.376 2.420 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000823483574 606548459 /nfs/dbraw/zinc/54/84/59/606548459.db2.gz JPOYXRBZVCPVOY-GFCCVEGCSA-N -1 1 377.376 2.420 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCN1C(=O)OC(C)(C)C ZINC000820742753 606572581 /nfs/dbraw/zinc/57/25/81/606572581.db2.gz MXNUCJVWLAZPAR-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1C(=O)OC(C)(C)C ZINC000820742753 606572583 /nfs/dbraw/zinc/57/25/83/606572583.db2.gz MXNUCJVWLAZPAR-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820562166 606582125 /nfs/dbraw/zinc/58/21/25/606582125.db2.gz DQWIUCZSGBBDGP-JUTIIYIPSA-N -1 1 375.479 2.499 20 0 GEADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820562166 606582128 /nfs/dbraw/zinc/58/21/28/606582128.db2.gz DQWIUCZSGBBDGP-JUTIIYIPSA-N -1 1 375.479 2.499 20 0 GEADMM COc1ccc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1OC ZINC000821787541 606590718 /nfs/dbraw/zinc/59/07/18/606590718.db2.gz VAWGRWFPOFAVSZ-VQHVLOKHSA-N -1 1 397.439 2.487 20 0 GEADMM COc1ccc(C=CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1OC ZINC000821787541 606590720 /nfs/dbraw/zinc/59/07/20/606590720.db2.gz VAWGRWFPOFAVSZ-VQHVLOKHSA-N -1 1 397.439 2.487 20 0 GEADMM COc1cc(OC)cc(OCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821724383 606625039 /nfs/dbraw/zinc/62/50/39/606625039.db2.gz UKOJFNWDXPZTHY-UHFFFAOYSA-N -1 1 389.437 2.144 20 0 GEADMM COc1cc(OC)cc(OCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821724383 606625040 /nfs/dbraw/zinc/62/50/40/606625040.db2.gz UKOJFNWDXPZTHY-UHFFFAOYSA-N -1 1 389.437 2.144 20 0 GEADMM CC(C)(C)CNC(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819913870 606648530 /nfs/dbraw/zinc/64/85/30/606648530.db2.gz GCVQPLZJLVWJEY-UHFFFAOYSA-N -1 1 394.435 2.395 20 0 GEADMM CC(C)(C)CNC(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819913870 606648531 /nfs/dbraw/zinc/64/85/31/606648531.db2.gz GCVQPLZJLVWJEY-UHFFFAOYSA-N -1 1 394.435 2.395 20 0 GEADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000821772560 606648713 /nfs/dbraw/zinc/64/87/13/606648713.db2.gz FTURHBFLIBOZOR-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000821772560 606648714 /nfs/dbraw/zinc/64/87/14/606648714.db2.gz FTURHBFLIBOZOR-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1cc(Br)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821703018 606648818 /nfs/dbraw/zinc/64/88/18/606648818.db2.gz LCFIMSPDBGSNOZ-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM COc1cc(Br)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821703018 606648819 /nfs/dbraw/zinc/64/88/19/606648819.db2.gz LCFIMSPDBGSNOZ-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM O=C(Cc1ccc(F)c(Br)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082867 606649210 /nfs/dbraw/zinc/64/92/10/606649210.db2.gz UTRMJYBKIHOMBW-UHFFFAOYSA-N -1 1 392.188 2.449 20 0 GEADMM O=C(Cc1ccc(F)c(Br)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082867 606649211 /nfs/dbraw/zinc/64/92/11/606649211.db2.gz UTRMJYBKIHOMBW-UHFFFAOYSA-N -1 1 392.188 2.449 20 0 GEADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820668562 606650329 /nfs/dbraw/zinc/65/03/29/606650329.db2.gz UVZXONFOMLNRJE-NHYWBVRUSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820668562 606650330 /nfs/dbraw/zinc/65/03/30/606650330.db2.gz UVZXONFOMLNRJE-NHYWBVRUSA-N -1 1 378.392 2.213 20 0 GEADMM O=C(CCCOc1ccc(F)cc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822958885 606651157 /nfs/dbraw/zinc/65/11/57/606651157.db2.gz LLIAZVXZWVOJSZ-UHFFFAOYSA-N -1 1 375.335 2.442 20 0 GEADMM O=C(CCCOc1ccc(F)cc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822958885 606651158 /nfs/dbraw/zinc/65/11/58/606651158.db2.gz LLIAZVXZWVOJSZ-UHFFFAOYSA-N -1 1 375.335 2.442 20 0 GEADMM COc1ccc(Br)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821770034 606653569 /nfs/dbraw/zinc/65/35/69/606653569.db2.gz NQWVLEHMYIWMOL-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM COc1ccc(Br)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821770034 606653570 /nfs/dbraw/zinc/65/35/70/606653570.db2.gz NQWVLEHMYIWMOL-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM Fc1cccnc1N1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822796444 606729823 /nfs/dbraw/zinc/72/98/23/606729823.db2.gz RDTLMTICXFJHOH-NSHDSACASA-N -1 1 377.387 2.035 20 0 GEADMM Fc1cccnc1N1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822796444 606729824 /nfs/dbraw/zinc/72/98/24/606729824.db2.gz RDTLMTICXFJHOH-NSHDSACASA-N -1 1 377.387 2.035 20 0 GEADMM CCN(c1ccccc1OC)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821241310 606763183 /nfs/dbraw/zinc/76/31/83/606763183.db2.gz LRTVUWQPDMYLBA-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)COc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549409 606768386 /nfs/dbraw/zinc/76/83/86/606768386.db2.gz ZLNXROJSFWULOE-NSHDSACASA-N -1 1 399.407 2.273 20 0 GEADMM COc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821837303 606811592 /nfs/dbraw/zinc/81/15/92/606811592.db2.gz CJCUNTCUEOQMET-UHFFFAOYSA-N -1 1 381.364 2.468 20 0 GEADMM COc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821837303 606811594 /nfs/dbraw/zinc/81/15/94/606811594.db2.gz CJCUNTCUEOQMET-UHFFFAOYSA-N -1 1 381.364 2.468 20 0 GEADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821448729 606818218 /nfs/dbraw/zinc/81/82/18/606818218.db2.gz NNMNDEJIEONGCG-UWVGGRQHSA-N -1 1 394.526 2.435 20 0 GEADMM CC(C)(C)C[C@@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1 ZINC000819907767 606823085 /nfs/dbraw/zinc/82/30/85/606823085.db2.gz RQUAJAJQOQYGHE-MRXNPFEDSA-N -1 1 398.442 2.461 20 0 GEADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1C ZINC000822324144 606831940 /nfs/dbraw/zinc/83/19/40/606831940.db2.gz WPRMJUFYUJKYLC-CYBMUJFWSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1C ZINC000822324144 606831942 /nfs/dbraw/zinc/83/19/42/606831942.db2.gz WPRMJUFYUJKYLC-CYBMUJFWSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1C ZINC000822324145 606831964 /nfs/dbraw/zinc/83/19/64/606831964.db2.gz WPRMJUFYUJKYLC-ZDUSSCGKSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1C ZINC000822324145 606831965 /nfs/dbraw/zinc/83/19/65/606831965.db2.gz WPRMJUFYUJKYLC-ZDUSSCGKSA-N -1 1 393.455 2.016 20 0 GEADMM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820876386 606835835 /nfs/dbraw/zinc/83/58/35/606835835.db2.gz PPBUTICZNLRKET-LBPRGKRZSA-N -1 1 384.444 2.408 20 0 GEADMM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820876386 606835837 /nfs/dbraw/zinc/83/58/37/606835837.db2.gz PPBUTICZNLRKET-LBPRGKRZSA-N -1 1 384.444 2.408 20 0 GEADMM C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820825740 606840213 /nfs/dbraw/zinc/84/02/13/606840213.db2.gz COLYEOXKKPJRDJ-SECBINFHSA-N -1 1 379.442 2.375 20 0 GEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822233509 606843787 /nfs/dbraw/zinc/84/37/87/606843787.db2.gz QJIIQXRNVHWUGR-ZDUSSCGKSA-N -1 1 377.401 2.433 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000822535210 606855575 /nfs/dbraw/zinc/85/55/75/606855575.db2.gz JRDMERZSGBIJFS-KGLIPLIRSA-N -1 1 382.424 2.200 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000822535210 606855577 /nfs/dbraw/zinc/85/55/77/606855577.db2.gz JRDMERZSGBIJFS-KGLIPLIRSA-N -1 1 382.424 2.200 20 0 GEADMM Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccc1F ZINC000822201155 606884749 /nfs/dbraw/zinc/88/47/49/606884749.db2.gz SVVBQTIHLQOUPN-UHFFFAOYSA-N -1 1 383.355 2.071 20 0 GEADMM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821857747 606886722 /nfs/dbraw/zinc/88/67/22/606886722.db2.gz AFSSVXKDFZMROM-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000819991182 606887490 /nfs/dbraw/zinc/88/74/90/606887490.db2.gz BFXHZPAEZDKQDY-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC/C(Cl)=C/Cl ZINC000822458640 606945432 /nfs/dbraw/zinc/94/54/32/606945432.db2.gz GXVZQZOLIYQRPB-YHYXMXQVSA-N -1 1 396.238 2.321 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC/C(Cl)=C/Cl ZINC000822458640 606945433 /nfs/dbraw/zinc/94/54/33/606945433.db2.gz GXVZQZOLIYQRPB-YHYXMXQVSA-N -1 1 396.238 2.321 20 0 GEADMM Cc1nnc(-c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)cc2)o1 ZINC000822505516 607019353 /nfs/dbraw/zinc/01/93/53/607019353.db2.gz MMGQAUJTBUIHPV-UHFFFAOYSA-N -1 1 393.411 2.429 20 0 GEADMM Cc1nnc(-c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)cc2)o1 ZINC000822505516 607019355 /nfs/dbraw/zinc/01/93/55/607019355.db2.gz MMGQAUJTBUIHPV-UHFFFAOYSA-N -1 1 393.411 2.429 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000821979793 607020496 /nfs/dbraw/zinc/02/04/96/607020496.db2.gz XLZMTQNCNDJGPA-GFCCVEGCSA-N -1 1 392.485 2.014 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOc2cccc(F)c21 ZINC000823606232 607022449 /nfs/dbraw/zinc/02/24/49/607022449.db2.gz HDBYGVLEEMLOIT-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOc2cccc(F)c21 ZINC000823606232 607022450 /nfs/dbraw/zinc/02/24/50/607022450.db2.gz HDBYGVLEEMLOIT-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@@H]1COc2ccccc2O1 ZINC000823802702 607039584 /nfs/dbraw/zinc/03/95/84/607039584.db2.gz YWPBGQIVIQPTOX-GFCCVEGCSA-N -1 1 375.392 2.452 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@@H]1COc2ccccc2O1 ZINC000823802702 607039585 /nfs/dbraw/zinc/03/95/85/607039585.db2.gz YWPBGQIVIQPTOX-GFCCVEGCSA-N -1 1 375.392 2.452 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCCc3c[nH]nc32)c1-c1nn[n-]n1 ZINC000821990934 607096857 /nfs/dbraw/zinc/09/68/57/607096857.db2.gz ZMHNGSGCNOCZEO-LBPRGKRZSA-N -1 1 396.480 2.392 20 0 GEADMM O=C(NC[C@H](O)C1CC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823167074 607112058 /nfs/dbraw/zinc/11/20/58/607112058.db2.gz WBYJTDHFXYCOCP-HNNXBMFYSA-N -1 1 383.383 2.299 20 0 GEADMM O=C(NC[C@H](O)C1CC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823167074 607112060 /nfs/dbraw/zinc/11/20/60/607112060.db2.gz WBYJTDHFXYCOCP-HNNXBMFYSA-N -1 1 383.383 2.299 20 0 GEADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)COc1ccc(Cl)cc1 ZINC000823026971 607112216 /nfs/dbraw/zinc/11/22/16/607112216.db2.gz KNOXPVOIQPBEMC-UHFFFAOYSA-N -1 1 378.797 2.387 20 0 GEADMM O=C(O[C@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823392974 607112706 /nfs/dbraw/zinc/11/27/06/607112706.db2.gz VLMNZLZRIFSTJI-HNNXBMFYSA-N -1 1 397.366 2.234 20 0 GEADMM O=C(O[C@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823392974 607112708 /nfs/dbraw/zinc/11/27/08/607112708.db2.gz VLMNZLZRIFSTJI-HNNXBMFYSA-N -1 1 397.366 2.234 20 0 GEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000821671468 607122363 /nfs/dbraw/zinc/12/23/63/607122363.db2.gz XFWOKWGIQXMFCL-UHFFFAOYSA-N -1 1 399.841 2.169 20 0 GEADMM COc1cccc2c1CC[C@H]2NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821877289 607142652 /nfs/dbraw/zinc/14/26/52/607142652.db2.gz GNMJDSSBJHCWFH-CYBMUJFWSA-N -1 1 398.448 2.115 20 0 GEADMM O=C(CCCOc1ccc2c(c1)OCO2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822958881 607159237 /nfs/dbraw/zinc/15/92/37/607159237.db2.gz LITWVWPOKVZVHZ-UHFFFAOYSA-N -1 1 383.364 2.099 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000822004677 607168945 /nfs/dbraw/zinc/16/89/45/607168945.db2.gz KAAFSXKRLXFVFK-LLVKDONJSA-N -1 1 380.399 2.211 20 0 GEADMM CCC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000821023307 607211963 /nfs/dbraw/zinc/21/19/63/607211963.db2.gz XLQCMTASZZLXID-LBPRGKRZSA-N -1 1 395.254 2.423 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c1Cl ZINC000826260816 607809763 /nfs/dbraw/zinc/80/97/63/607809763.db2.gz FSMFQPCXIWETFT-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM c1ccc2c(c1)CC[C@@]21CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000826523658 607811598 /nfs/dbraw/zinc/81/15/98/607811598.db2.gz SRDXJYABJXAWGC-OAQYLSRUSA-N -1 1 385.431 2.488 20 0 GEADMM c1ccc2c(c1)CC[C@@]21CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000826523658 607811599 /nfs/dbraw/zinc/81/15/99/607811599.db2.gz SRDXJYABJXAWGC-OAQYLSRUSA-N -1 1 385.431 2.488 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(Cl)cc2O)cc1-c1nn[n-]n1 ZINC000826229377 607835718 /nfs/dbraw/zinc/83/57/18/607835718.db2.gz BSEYEEYFEYGSJQ-UHFFFAOYSA-N -1 1 378.801 2.301 20 0 GEADMM O=c1[nH]ccc2cc(OS(=O)(=O)c3ccccc3-c3nn[n-]n3)c(F)cc21 ZINC000826501538 607848050 /nfs/dbraw/zinc/84/80/50/607848050.db2.gz VAVGYYQFXAAVLO-UHFFFAOYSA-N -1 1 387.352 2.027 20 0 GEADMM O=C1c2ccccc2C(=O)N1CCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826483715 607864000 /nfs/dbraw/zinc/86/40/00/607864000.db2.gz XLVONZITURLTAZ-UHFFFAOYSA-N -1 1 381.367 2.461 20 0 GEADMM O=C1c2ccccc2C(=O)N1CCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826483715 607864001 /nfs/dbraw/zinc/86/40/01/607864001.db2.gz XLVONZITURLTAZ-UHFFFAOYSA-N -1 1 381.367 2.461 20 0 GEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824938969 607865188 /nfs/dbraw/zinc/86/51/88/607865188.db2.gz XAQJOFZAGDPIFI-TZMCWYRMSA-N -1 1 377.420 2.096 20 0 GEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824938969 607865189 /nfs/dbraw/zinc/86/51/89/607865189.db2.gz XAQJOFZAGDPIFI-TZMCWYRMSA-N -1 1 377.420 2.096 20 0 GEADMM COc1cc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826178345 607868308 /nfs/dbraw/zinc/86/83/08/607868308.db2.gz UBDRXEUKHGPGHI-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM COc1cc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826178345 607868309 /nfs/dbraw/zinc/86/83/09/607868309.db2.gz UBDRXEUKHGPGHI-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826190154 607900022 /nfs/dbraw/zinc/90/00/22/607900022.db2.gz RJLLHKPUADITLB-OAHLLOKOSA-N -1 1 379.424 2.186 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826190154 607900023 /nfs/dbraw/zinc/90/00/23/607900023.db2.gz RJLLHKPUADITLB-OAHLLOKOSA-N -1 1 379.424 2.186 20 0 GEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Oc1ccc(F)cc1 ZINC000826104193 607968132 /nfs/dbraw/zinc/96/81/32/607968132.db2.gz RMAGRFBFRBVCPA-LBPRGKRZSA-N -1 1 392.778 2.087 20 0 GEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Oc1ccc(F)cc1 ZINC000826104193 607968133 /nfs/dbraw/zinc/96/81/33/607968133.db2.gz RMAGRFBFRBVCPA-LBPRGKRZSA-N -1 1 392.778 2.087 20 0 GEADMM CC(=O)Oc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000824010995 607971393 /nfs/dbraw/zinc/97/13/93/607971393.db2.gz VUSODCFBWPODDT-UHFFFAOYSA-N -1 1 394.796 2.213 20 0 GEADMM CC(=O)Oc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000824010995 607971394 /nfs/dbraw/zinc/97/13/94/607971394.db2.gz VUSODCFBWPODDT-UHFFFAOYSA-N -1 1 394.796 2.213 20 0 GEADMM FC(F)(F)c1cccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826369149 607988129 /nfs/dbraw/zinc/98/81/29/607988129.db2.gz PDAVBBANLUPCPL-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM FC(F)(F)c1cccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826369149 607988130 /nfs/dbraw/zinc/98/81/30/607988130.db2.gz PDAVBBANLUPCPL-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CC[C@@H](CO)C1 ZINC000826473143 607996465 /nfs/dbraw/zinc/99/64/65/607996465.db2.gz MIGOHXRPZQFRMS-GFCCVEGCSA-N -1 1 383.383 2.253 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CC[C@@H](CO)C1 ZINC000826473143 607996466 /nfs/dbraw/zinc/99/64/66/607996466.db2.gz MIGOHXRPZQFRMS-GFCCVEGCSA-N -1 1 383.383 2.253 20 0 GEADMM COc1ccc(C2(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CCOCC2)cc1 ZINC000826189821 607997513 /nfs/dbraw/zinc/99/75/13/607997513.db2.gz GHBFFTLJSHEUHK-UHFFFAOYSA-N -1 1 395.419 2.268 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000826450988 607997602 /nfs/dbraw/zinc/99/76/02/607997602.db2.gz LMRLRUPEVYOMOZ-ZDUSSCGKSA-N -1 1 398.810 2.217 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(CN2CCCCC2=O)cc1 ZINC000826451042 607999727 /nfs/dbraw/zinc/99/97/27/607999727.db2.gz NGLWMRBQKHYCGV-UHFFFAOYSA-N -1 1 392.419 2.337 20 0 GEADMM O=C1NC[C@@H](CSc2nc3c(c(-c4ccco4)c2-c2nn[n-]n2)CCC3)O1 ZINC000826482894 608016550 /nfs/dbraw/zinc/01/65/50/608016550.db2.gz UITJMZGQANLCDA-VIFPVBQESA-N -1 1 384.421 2.211 20 0 GEADMM COc1cccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1F ZINC000826214844 608060370 /nfs/dbraw/zinc/06/03/70/608060370.db2.gz YTKJBLJWCPAKJC-UHFFFAOYSA-N -1 1 389.343 2.020 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820743452 608077719 /nfs/dbraw/zinc/07/77/19/608077719.db2.gz UMKFRCDSUDUFQI-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820743452 608077720 /nfs/dbraw/zinc/07/77/20/608077720.db2.gz UMKFRCDSUDUFQI-SNVBAGLBSA-N -1 1 378.458 2.010 20 0 GEADMM CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029090 608121315 /nfs/dbraw/zinc/12/13/15/608121315.db2.gz OCUZMLGALHMRMN-IUODEOHRSA-N -1 1 390.419 2.382 20 0 GEADMM Cc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)cc1 ZINC000826285894 608125083 /nfs/dbraw/zinc/12/50/83/608125083.db2.gz NBWGLNFNFVCNGG-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1Cl ZINC000826117134 608146845 /nfs/dbraw/zinc/14/68/45/608146845.db2.gz HZCGUGSNPZHJII-CYBMUJFWSA-N -1 1 391.746 2.125 20 0 GEADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1Cl ZINC000826117134 608146846 /nfs/dbraw/zinc/14/68/46/608146846.db2.gz HZCGUGSNPZHJII-CYBMUJFWSA-N -1 1 391.746 2.125 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CCCC(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826342702 608179196 /nfs/dbraw/zinc/17/91/96/608179196.db2.gz WQPOKEOIWJWENB-UHFFFAOYSA-N -1 1 375.307 2.291 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)c1ccco1 ZINC000826328263 608189013 /nfs/dbraw/zinc/18/90/13/608189013.db2.gz LFDCFGQJXJEUKQ-GFCCVEGCSA-N -1 1 381.396 2.356 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)c1ccco1 ZINC000826328263 608189014 /nfs/dbraw/zinc/18/90/14/608189014.db2.gz LFDCFGQJXJEUKQ-GFCCVEGCSA-N -1 1 381.396 2.356 20 0 GEADMM CCOCCCN(C[C@@H](C)C(=O)OC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825594787 608190673 /nfs/dbraw/zinc/19/06/73/608190673.db2.gz QRXRMHILUXTWNX-SECBINFHSA-N -1 1 388.881 2.019 20 0 GEADMM CCOCCCN(C[C@@H](C)C(=O)OC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825594787 608190675 /nfs/dbraw/zinc/19/06/75/608190675.db2.gz QRXRMHILUXTWNX-SECBINFHSA-N -1 1 388.881 2.019 20 0 GEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000826104512 608192109 /nfs/dbraw/zinc/19/21/09/608192109.db2.gz YBTXUXXQQCQVJV-SECBINFHSA-N -1 1 398.807 2.148 20 0 GEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000826104512 608192111 /nfs/dbraw/zinc/19/21/11/608192111.db2.gz YBTXUXXQQCQVJV-SECBINFHSA-N -1 1 398.807 2.148 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229901 608209738 /nfs/dbraw/zinc/20/97/38/608209738.db2.gz WCVAKVQAOKAZOM-SKDRFNHKSA-N -1 1 392.485 2.013 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@]1(O)CCSC1 ZINC000826272150 608230930 /nfs/dbraw/zinc/23/09/30/608230930.db2.gz WJIRLNFALKAOEB-GOSISDBHSA-N -1 1 398.448 2.169 20 0 GEADMM COC(=O)C(C)(C)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826098824 608237867 /nfs/dbraw/zinc/23/78/67/608237867.db2.gz QDJQHSOIRCHVKD-GFCCVEGCSA-N -1 1 381.440 2.226 20 0 GEADMM COC(=O)C(C)(C)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826098824 608237869 /nfs/dbraw/zinc/23/78/69/608237869.db2.gz QDJQHSOIRCHVKD-GFCCVEGCSA-N -1 1 381.440 2.226 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974577 608245300 /nfs/dbraw/zinc/24/53/00/608245300.db2.gz BMBNAIWVMREUOE-QWRGUYRKSA-N -1 1 392.485 2.398 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974577 608245307 /nfs/dbraw/zinc/24/53/07/608245307.db2.gz BMBNAIWVMREUOE-QWRGUYRKSA-N -1 1 392.485 2.398 20 0 GEADMM Cc1n[nH]c(C)c1CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826321791 608276327 /nfs/dbraw/zinc/27/63/27/608276327.db2.gz PNYCKXXFMOJCGA-UHFFFAOYSA-N -1 1 381.396 2.298 20 0 GEADMM Cc1n[nH]c(C)c1CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826321791 608276329 /nfs/dbraw/zinc/27/63/29/608276329.db2.gz PNYCKXXFMOJCGA-UHFFFAOYSA-N -1 1 381.396 2.298 20 0 GEADMM Cc1nc([C@@H]2CCCN2Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)no1 ZINC000826324663 608312256 /nfs/dbraw/zinc/31/22/56/608312256.db2.gz AEHHVTRHVZLCQS-HNNXBMFYSA-N -1 1 391.439 2.389 20 0 GEADMM CC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000823972606 608347739 /nfs/dbraw/zinc/34/77/39/608347739.db2.gz DCEPSQCSOJFDRD-LLVKDONJSA-N -1 1 376.486 2.423 20 0 GEADMM CC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000823972606 608347741 /nfs/dbraw/zinc/34/77/41/608347741.db2.gz DCEPSQCSOJFDRD-LLVKDONJSA-N -1 1 376.486 2.423 20 0 GEADMM CC(C)(C)c1cc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)c(-c2nnn[n-]2)s1 ZINC000824130202 608347891 /nfs/dbraw/zinc/34/78/91/608347891.db2.gz IUPSAGOGYYGCQK-SECBINFHSA-N -1 1 381.483 2.113 20 0 GEADMM CC(C)(C)c1cc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)c(-c2nn[n-]n2)s1 ZINC000824130202 608347893 /nfs/dbraw/zinc/34/78/93/608347893.db2.gz IUPSAGOGYYGCQK-SECBINFHSA-N -1 1 381.483 2.113 20 0 GEADMM CC(=O)N1CSC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000823988116 608349326 /nfs/dbraw/zinc/34/93/26/608349326.db2.gz DBXKKOZYEOIWKO-JTQLQIEISA-N -1 1 380.499 2.086 20 0 GEADMM CC(=O)N1CSC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823988116 608349328 /nfs/dbraw/zinc/34/93/28/608349328.db2.gz DBXKKOZYEOIWKO-JTQLQIEISA-N -1 1 380.499 2.086 20 0 GEADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000825133009 608351467 /nfs/dbraw/zinc/35/14/67/608351467.db2.gz HCOQQDMHCPYRSH-AWEZNQCLSA-N -1 1 396.455 2.024 20 0 GEADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825133009 608351468 /nfs/dbraw/zinc/35/14/68/608351468.db2.gz HCOQQDMHCPYRSH-AWEZNQCLSA-N -1 1 396.455 2.024 20 0 GEADMM O=S(=O)(CCNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000826485333 608376126 /nfs/dbraw/zinc/37/61/26/608376126.db2.gz MGADUZMGTQHYCX-UHFFFAOYSA-N -1 1 380.433 2.301 20 0 GEADMM O=S(=O)(CCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000826485333 608376128 /nfs/dbraw/zinc/37/61/28/608376128.db2.gz MGADUZMGTQHYCX-UHFFFAOYSA-N -1 1 380.433 2.301 20 0 GEADMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825892349 608389758 /nfs/dbraw/zinc/38/97/58/608389758.db2.gz KXYFVMIPEWZNRQ-UHFFFAOYSA-N -1 1 379.211 2.038 20 0 GEADMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825892349 608389761 /nfs/dbraw/zinc/38/97/61/608389761.db2.gz KXYFVMIPEWZNRQ-UHFFFAOYSA-N -1 1 379.211 2.038 20 0 GEADMM CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccccc1OC ZINC000825796578 608393245 /nfs/dbraw/zinc/39/32/45/608393245.db2.gz IHINHIFITYCDPP-UHFFFAOYSA-N -1 1 381.425 2.095 20 0 GEADMM CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccccc1OC ZINC000825796578 608393246 /nfs/dbraw/zinc/39/32/46/608393246.db2.gz IHINHIFITYCDPP-UHFFFAOYSA-N -1 1 381.425 2.095 20 0 GEADMM CN(Cc1cscn1)Cc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825980759 608416474 /nfs/dbraw/zinc/41/64/74/608416474.db2.gz IZKUKQVRIYSNTJ-UHFFFAOYSA-N -1 1 379.453 2.489 20 0 GEADMM CN(Cc1cscn1)Cc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825980759 608416475 /nfs/dbraw/zinc/41/64/75/608416475.db2.gz IZKUKQVRIYSNTJ-UHFFFAOYSA-N -1 1 379.453 2.489 20 0 GEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824651234 608434808 /nfs/dbraw/zinc/43/48/08/608434808.db2.gz XYBAIUWMGFXAHH-SCLBCKFNSA-N -1 1 381.440 2.394 20 0 GEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824651234 608434810 /nfs/dbraw/zinc/43/48/10/608434810.db2.gz XYBAIUWMGFXAHH-SCLBCKFNSA-N -1 1 381.440 2.394 20 0 GEADMM OCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826510050 608435010 /nfs/dbraw/zinc/43/50/10/608435010.db2.gz VYSLXNWXRSUNSA-UHFFFAOYSA-N -1 1 380.239 2.353 20 0 GEADMM OCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826510050 608435012 /nfs/dbraw/zinc/43/50/12/608435012.db2.gz VYSLXNWXRSUNSA-UHFFFAOYSA-N -1 1 380.239 2.353 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000826280673 608541317 /nfs/dbraw/zinc/54/13/17/608541317.db2.gz LNLUKHNDOXIGOQ-QGZVFWFLSA-N -1 1 383.431 2.195 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000826280585 608544417 /nfs/dbraw/zinc/54/44/17/608544417.db2.gz HYEWBLSYOWRWRD-QGZVFWFLSA-N -1 1 383.431 2.195 20 0 GEADMM CC[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825081845 608556138 /nfs/dbraw/zinc/55/61/38/608556138.db2.gz NKVFYKGMRPDXIF-AWEZNQCLSA-N -1 1 396.499 2.455 20 0 GEADMM CC[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825081845 608556141 /nfs/dbraw/zinc/55/61/41/608556141.db2.gz NKVFYKGMRPDXIF-AWEZNQCLSA-N -1 1 396.499 2.455 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000825934252 608556961 /nfs/dbraw/zinc/55/69/61/608556961.db2.gz LJGNRQMISBAHOF-UHFFFAOYSA-N -1 1 392.423 2.137 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000825934252 608556962 /nfs/dbraw/zinc/55/69/62/608556962.db2.gz LJGNRQMISBAHOF-UHFFFAOYSA-N -1 1 392.423 2.137 20 0 GEADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000824041185 608557464 /nfs/dbraw/zinc/55/74/64/608557464.db2.gz YTNNAXWEZROHEM-QMMMGPOBSA-N -1 1 394.892 2.082 20 0 GEADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000824041185 608557466 /nfs/dbraw/zinc/55/74/66/608557466.db2.gz YTNNAXWEZROHEM-QMMMGPOBSA-N -1 1 394.892 2.082 20 0 GEADMM CCc1nn(CCOc2ccc(F)cc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762434 608754018 /nfs/dbraw/zinc/75/40/18/608754018.db2.gz AUEPCGLBCOVLHH-UHFFFAOYSA-N -1 1 392.822 2.420 20 0 GEADMM O=S(=O)(NCCCc1cccs1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490659 608757646 /nfs/dbraw/zinc/75/76/46/608757646.db2.gz CIBJXTGJGZEPSA-UHFFFAOYSA-N -1 1 383.886 2.493 20 0 GEADMM O=S(=O)(NCCCc1cccs1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490659 608757650 /nfs/dbraw/zinc/75/76/50/608757650.db2.gz CIBJXTGJGZEPSA-UHFFFAOYSA-N -1 1 383.886 2.493 20 0 GEADMM CCCOc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825341590 609153499 /nfs/dbraw/zinc/15/34/99/609153499.db2.gz FQCVKACYEWVOBL-UHFFFAOYSA-N -1 1 399.459 2.057 20 0 GEADMM CCCOc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825341590 609153502 /nfs/dbraw/zinc/15/35/02/609153502.db2.gz FQCVKACYEWVOBL-UHFFFAOYSA-N -1 1 399.459 2.057 20 0 GEADMM CCS(=O)(=O)c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825668789 609170075 /nfs/dbraw/zinc/17/00/75/609170075.db2.gz KCPIKJZUJILENP-UHFFFAOYSA-N -1 1 384.874 2.382 20 0 GEADMM CCS(=O)(=O)c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825668789 609170076 /nfs/dbraw/zinc/17/00/76/609170076.db2.gz KCPIKJZUJILENP-UHFFFAOYSA-N -1 1 384.874 2.382 20 0 GEADMM Fc1cccc(-n2ccc(NCc3nc(-c4ccoc4)no3)n2)c1-c1nn[n-]n1 ZINC000826376469 609278010 /nfs/dbraw/zinc/27/80/10/609278010.db2.gz FMJBLCYBRBHXPL-UHFFFAOYSA-N -1 1 393.342 2.447 20 0 GEADMM Cn1nnc2cc(CNc3ccn(-c4cccc(F)c4-c4nn[n-]n4)n3)ccc21 ZINC000826367078 609278236 /nfs/dbraw/zinc/27/82/36/609278236.db2.gz LCTKDPDOBYPFMI-UHFFFAOYSA-N -1 1 390.386 2.085 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccc(Cl)n1 ZINC000826459147 609288225 /nfs/dbraw/zinc/28/82/25/609288225.db2.gz XCDMEEGPPMFLJE-UHFFFAOYSA-N -1 1 384.762 2.492 20 0 GEADMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)n1 ZINC000826282445 609289304 /nfs/dbraw/zinc/28/93/04/609289304.db2.gz OZSKXAWBWBZJLT-UHFFFAOYSA-N -1 1 378.371 2.456 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccnc1Cl ZINC000826458954 609289851 /nfs/dbraw/zinc/28/98/51/609289851.db2.gz OGPGGRUBNSDABY-UHFFFAOYSA-N -1 1 384.762 2.492 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CC1(Cl)Cl ZINC000826458191 609290050 /nfs/dbraw/zinc/29/00/50/609290050.db2.gz HEBGNJSIMKGLKL-SSDOTTSWSA-N -1 1 382.186 2.324 20 0 GEADMM O=Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000826484227 609312161 /nfs/dbraw/zinc/31/21/61/609312161.db2.gz SWSZJFSDERDICA-UHFFFAOYSA-N -1 1 383.368 2.318 20 0 GEADMM O=S(=O)(N[C@H](CC1CCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487737 609330990 /nfs/dbraw/zinc/33/09/90/609330990.db2.gz YFJMNTXHQGSMRB-QGZVFWFLSA-N -1 1 384.465 2.472 20 0 GEADMM O=S(=O)(N[C@H](CC1CCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487737 609330992 /nfs/dbraw/zinc/33/09/92/609330992.db2.gz YFJMNTXHQGSMRB-QGZVFWFLSA-N -1 1 384.465 2.472 20 0 GEADMM FC(F)(F)c1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000826368749 609387662 /nfs/dbraw/zinc/38/76/62/609387662.db2.gz ACYZKUKCEZZSAW-CYBMUJFWSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000826368749 609387664 /nfs/dbraw/zinc/38/76/64/609387664.db2.gz ACYZKUKCEZZSAW-CYBMUJFWSA-N -1 1 377.330 2.253 20 0 GEADMM CCCn1cc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)cn1 ZINC000825357140 609392637 /nfs/dbraw/zinc/39/26/37/609392637.db2.gz ZWVCWTAEKXHDHC-UHFFFAOYSA-N -1 1 392.423 2.324 20 0 GEADMM O=S(=O)(Oc1ccc(F)nc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826493331 609398691 /nfs/dbraw/zinc/39/86/91/609398691.db2.gz GAUYVTDMYWMEJU-UHFFFAOYSA-N -1 1 389.290 2.187 20 0 GEADMM Cc1nn(-c2ccccc2)c(Cn2ccc(Br)n2)c1-c1nn[n-]n1 ZINC000826333093 609423506 /nfs/dbraw/zinc/42/35/06/609423506.db2.gz SZXUMLXHRLEROH-UHFFFAOYSA-N -1 1 385.229 2.368 20 0 GEADMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc2C1 ZINC000826146860 609469411 /nfs/dbraw/zinc/46/94/11/609469411.db2.gz GEUVGFDTFLDXFE-MRXNPFEDSA-N -1 1 385.449 2.090 20 0 GEADMM Cc1nc(-c2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc2Cl)n[nH]1 ZINC000826322687 609470196 /nfs/dbraw/zinc/47/01/96/609470196.db2.gz XNLCDYUNCMZDAB-UHFFFAOYSA-N -1 1 399.802 2.091 20 0 GEADMM COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826103496 609485231 /nfs/dbraw/zinc/48/52/31/609485231.db2.gz IFHRPTKZLHMSKJ-CYBMUJFWSA-N -1 1 388.428 2.289 20 0 GEADMM Cc1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1C(=O)[O-] ZINC000826299345 609529291 /nfs/dbraw/zinc/52/92/91/609529291.db2.gz ALEAJBOCELOORC-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM COCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000826155347 609583180 /nfs/dbraw/zinc/58/31/80/609583180.db2.gz MZDKQWWRENLUAL-LLVKDONJSA-N -1 1 397.844 2.169 20 0 GEADMM COCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000826155347 609583181 /nfs/dbraw/zinc/58/31/81/609583181.db2.gz MZDKQWWRENLUAL-LLVKDONJSA-N -1 1 397.844 2.169 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000826327921 609608376 /nfs/dbraw/zinc/60/83/76/609608376.db2.gz ZPGVTTWQVQLYNM-OAHLLOKOSA-N -1 1 394.483 2.274 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000826327921 609608378 /nfs/dbraw/zinc/60/83/78/609608378.db2.gz ZPGVTTWQVQLYNM-OAHLLOKOSA-N -1 1 394.483 2.274 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CC)C(F)F)c(F)c1 ZINC000451080496 650084395 /nfs/dbraw/zinc/08/43/95/650084395.db2.gz JGQVUGCDHPXRMY-NSHDSACASA-N -1 1 388.433 2.299 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(OC)cc1 ZINC000451165382 650092200 /nfs/dbraw/zinc/09/22/00/650092200.db2.gz KNDQMVWMXNNZLK-GXTWGEPZSA-N -1 1 377.409 2.264 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CC2(C)C)c(F)c1 ZINC000451185234 650094404 /nfs/dbraw/zinc/09/44/04/650094404.db2.gz ANFSSVQRNBPQOQ-LLVKDONJSA-N -1 1 378.491 2.302 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)C2)c(F)c1 ZINC000451438581 650114122 /nfs/dbraw/zinc/11/41/22/650114122.db2.gz WJFSOJYTCUFQMC-NWDGAFQWSA-N -1 1 378.491 2.444 20 0 GEADMM CC[C@]([N-]S(=O)(=O)C1(COC)CC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000451527152 650123435 /nfs/dbraw/zinc/12/34/35/650123435.db2.gz JOTOQOGTYWBXCV-MRXNPFEDSA-N -1 1 375.874 2.217 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](C)CCCO ZINC000451686396 650133120 /nfs/dbraw/zinc/13/31/20/650133120.db2.gz OVVRNBMXUPYBHF-VIFPVBQESA-N -1 1 384.281 2.467 20 0 GEADMM CCOC(=O)COCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451782610 650142196 /nfs/dbraw/zinc/14/21/96/650142196.db2.gz CGGVCFDTHHIHMF-UHFFFAOYSA-N -1 1 377.871 2.413 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2CC)c(F)c1 ZINC000451824341 650145304 /nfs/dbraw/zinc/14/53/04/650145304.db2.gz LXHJHJPJVASCIN-NEPJUHHUSA-N -1 1 378.491 2.302 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)sc1C ZINC000452006203 650164732 /nfs/dbraw/zinc/16/47/32/650164732.db2.gz DPRBBIRVVGLWST-MCIONIFRSA-N -1 1 384.527 2.432 20 0 GEADMM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000452005442 650164754 /nfs/dbraw/zinc/16/47/54/650164754.db2.gz CNVVSDLTTURTOA-ZETCQYMHSA-N -1 1 386.214 2.346 20 0 GEADMM COC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000452178396 650176840 /nfs/dbraw/zinc/17/68/40/650176840.db2.gz HYGIIEXWFMMDEE-UHFFFAOYSA-N -1 1 395.308 2.347 20 0 GEADMM CC[C@H](C)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC ZINC000452406712 650184793 /nfs/dbraw/zinc/18/47/93/650184793.db2.gz LYCYRNDSRQKKFR-GXFFZTMASA-N -1 1 397.324 2.449 20 0 GEADMM CC[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@H](O)C(F)F ZINC000452481807 650187622 /nfs/dbraw/zinc/18/76/22/650187622.db2.gz OSWVXKHJKZPIBZ-WPRPVWTQSA-N -1 1 385.148 2.131 20 0 GEADMM Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1cncc([O-])c1 ZINC000456728102 650360205 /nfs/dbraw/zinc/36/02/05/650360205.db2.gz RPRQJOJSWSNNKB-LBPRGKRZSA-N -1 1 379.254 2.439 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)c1ccc(C)o1 ZINC000500936736 650385071 /nfs/dbraw/zinc/38/50/71/650385071.db2.gz SKXXMNKGCVAFDH-GFCCVEGCSA-N -1 1 384.845 2.259 20 0 GEADMM COc1cc(O)cc([N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)c1 ZINC000504064085 650426811 /nfs/dbraw/zinc/42/68/11/650426811.db2.gz ZCVMEVGKSFAMBD-UHFFFAOYSA-N -1 1 385.463 2.222 20 0 GEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)ccc12 ZINC000461345344 650452333 /nfs/dbraw/zinc/45/23/33/650452333.db2.gz AXBUKFYBVIUUFY-UHFFFAOYSA-N -1 1 378.841 2.435 20 0 GEADMM Cc1ccc(NC(=O)[C@@H]2CSCN2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000506660025 650448474 /nfs/dbraw/zinc/44/84/74/650448474.db2.gz HMAYZWZBQYMRMI-INIZCTEOSA-N -1 1 377.491 2.397 20 0 GEADMM C[C@H]1Cc2cc(S(=O)(=O)N=c3ccnc4n(C)[n-]cc3-4)cc(Cl)c2O1 ZINC000461110049 650449336 /nfs/dbraw/zinc/44/93/36/650449336.db2.gz IWTJLEMAYRLRRH-VIFPVBQESA-N -1 1 378.841 2.119 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)oc2C(F)(F)F)c1 ZINC000461457329 650454322 /nfs/dbraw/zinc/45/43/22/650454322.db2.gz POSZHXBCWDCLNE-UHFFFAOYSA-N -1 1 378.328 2.473 20 0 GEADMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1ccc(OCC(F)(F)F)nc1 ZINC000508200611 650477215 /nfs/dbraw/zinc/47/72/15/650477215.db2.gz YYAZROQTUIQEPB-UHFFFAOYSA-N -1 1 377.348 2.209 20 0 GEADMM CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)OC ZINC000508776945 650482826 /nfs/dbraw/zinc/48/28/26/650482826.db2.gz BLMHHCFANXZAJE-AWEZNQCLSA-N -1 1 398.264 2.400 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)Cn1cccn1 ZINC000508821168 650483310 /nfs/dbraw/zinc/48/33/10/650483310.db2.gz FWFXSQBNPUHMFM-VIFPVBQESA-N -1 1 392.264 2.344 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC(=O)OC(C)C ZINC000508874993 650484238 /nfs/dbraw/zinc/48/42/38/650484238.db2.gz PMRAVXLIILYQGM-UHFFFAOYSA-N -1 1 398.264 2.400 20 0 GEADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000462671439 650487970 /nfs/dbraw/zinc/48/79/70/650487970.db2.gz ASJIVSRCHZMKCZ-GFCCVEGCSA-N -1 1 386.436 2.361 20 0 GEADMM CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)C(=O)OC(C)(C)C ZINC000462691201 650488890 /nfs/dbraw/zinc/48/88/90/650488890.db2.gz SLSBMTLXFNTJAG-LBPRGKRZSA-N -1 1 375.443 2.245 20 0 GEADMM CCN(C[C@H](C)OC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462859973 650491703 /nfs/dbraw/zinc/49/17/03/650491703.db2.gz NNHWSQVSCKCAOX-JTQLQIEISA-N -1 1 383.297 2.155 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1C ZINC000509719277 650499681 /nfs/dbraw/zinc/49/96/81/650499681.db2.gz LPUSVOBKMDBQQV-PRHODGIISA-N -1 1 382.265 2.483 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)OC ZINC000509879207 650502190 /nfs/dbraw/zinc/50/21/90/650502190.db2.gz RQHWRVMYMZOXQI-JTQLQIEISA-N -1 1 384.237 2.010 20 0 GEADMM CC[C@]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510560788 650514257 /nfs/dbraw/zinc/51/42/57/650514257.db2.gz SWVMLRPYISUMTB-DIOULYMOSA-N -1 1 375.874 2.215 20 0 GEADMM CCOc1cc(Br)ccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000511277945 650531928 /nfs/dbraw/zinc/53/19/28/650531928.db2.gz UVRNWRUYHUOCEW-UHFFFAOYSA-N -1 1 394.225 2.317 20 0 GEADMM COC[C@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)OC ZINC000512416931 650548092 /nfs/dbraw/zinc/54/80/92/650548092.db2.gz XVWNIURTDXHKFH-LURJTMIESA-N -1 1 378.697 2.104 20 0 GEADMM COc1ccc(S(=O)(=O)N2CC(NCc3cccc([O-])c3Cl)C2)cc1 ZINC000512579224 650550724 /nfs/dbraw/zinc/55/07/24/650550724.db2.gz UABHLGALCIWXKM-UHFFFAOYSA-N -1 1 382.869 2.217 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc3cccc(Cl)c3n2C)o1 ZINC000476189745 650545724 /nfs/dbraw/zinc/54/57/24/650545724.db2.gz KWQVDEZGQSERTO-UHFFFAOYSA-N -1 1 383.813 2.085 20 0 GEADMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476955599 650564035 /nfs/dbraw/zinc/56/40/35/650564035.db2.gz URPVDIFODJYZOY-VXGBXAGGSA-N -1 1 378.491 2.302 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000477149392 650569489 /nfs/dbraw/zinc/56/94/89/650569489.db2.gz KLEPYMYDZUOBOA-HIFRSBDPSA-N -1 1 384.454 2.032 20 0 GEADMM CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477042283 650567134 /nfs/dbraw/zinc/56/71/34/650567134.db2.gz ISMXLIOJOZENBZ-GFCCVEGCSA-N -1 1 380.246 2.171 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCCS1(=O)=O)c1sc2ccccc2c1Cl ZINC000514654105 650575875 /nfs/dbraw/zinc/57/58/75/650575875.db2.gz QKZASCXMDXJVPA-VIFPVBQESA-N -1 1 379.912 2.410 20 0 GEADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)OC)c1F ZINC000478697485 650590362 /nfs/dbraw/zinc/59/03/62/650590362.db2.gz AELOBIJUICDKQJ-UHFFFAOYSA-N -1 1 391.373 2.400 20 0 GEADMM CC(C)C[C@H](CO)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000479108562 650596265 /nfs/dbraw/zinc/59/62/65/650596265.db2.gz NRIKRTQAXBVZRQ-LLVKDONJSA-N -1 1 377.222 2.476 20 0 GEADMM C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)C[C@@]1(C)C(=O)[O-] ZINC000516481895 650597437 /nfs/dbraw/zinc/59/74/37/650597437.db2.gz UPSYNFSNIVTZFI-IAQYHMDHSA-N -1 1 390.299 2.265 20 0 GEADMM CSc1ccccc1S(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000479212625 650599105 /nfs/dbraw/zinc/59/91/05/650599105.db2.gz SFPZWTMZFLAQAW-UHFFFAOYSA-N -1 1 380.447 2.024 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479477420 650604446 /nfs/dbraw/zinc/60/44/46/650604446.db2.gz CTQQNLYCIKRWQP-UHFFFAOYSA-N -1 1 383.476 2.005 20 0 GEADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1nnc[nH]1 ZINC000479554110 650606267 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O=S(=O)([N-][C@@H](CO)C1CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000481612960 650650823 /nfs/dbraw/zinc/65/08/23/650650823.db2.gz VBZSFERSOBDANF-LBPRGKRZSA-N -1 1 387.807 2.425 20 0 GEADMM COc1cc(NC(=O)N(C)Cc2scnc2C)ccc1[N-]S(C)(=O)=O ZINC000525416599 650654816 /nfs/dbraw/zinc/65/48/16/650654816.db2.gz RATPSSKRADJRFS-UHFFFAOYSA-N -1 1 384.483 2.496 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)co1 ZINC000482850313 650669913 /nfs/dbraw/zinc/66/99/13/650669913.db2.gz UDJPLHHZJCKBAE-MEBBXXQBSA-N -1 1 386.857 2.347 20 0 GEADMM C[C@@]1(C[N-]S(=O)(=O)c2ncccc2Br)COc2ccccc2O1 ZINC000528452062 650694261 /nfs/dbraw/zinc/69/42/61/650694261.db2.gz KVCDOWMYAXTMKV-OAHLLOKOSA-N -1 1 399.266 2.353 20 0 GEADMM O=S(=O)([N-]C[C@H](n1cccn1)C(F)(F)F)c1ccc(Br)cn1 ZINC000528451085 650694266 /nfs/dbraw/zinc/69/42/66/650694266.db2.gz LAEDVAFFTPMRJH-VIFPVBQESA-N -1 1 399.192 2.123 20 0 GEADMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)cnn2C)c1 ZINC000485398594 650695964 /nfs/dbraw/zinc/69/59/64/650695964.db2.gz LRTWYIJIFIWDCJ-UHFFFAOYSA-N -1 1 377.253 2.230 20 0 GEADMM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000485935752 650702962 /nfs/dbraw/zinc/70/29/62/650702962.db2.gz AWIKMLGWTNJRDO-BDAKNGLRSA-N -1 1 390.310 2.154 20 0 GEADMM COCCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cn1 ZINC000485994976 650704889 /nfs/dbraw/zinc/70/48/89/650704889.db2.gz XCQWBJSOWRXCRK-ZDUSSCGKSA-N -1 1 381.351 2.251 20 0 GEADMM CC1(N2CCOCC2)CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000529911315 650709235 /nfs/dbraw/zinc/70/92/35/650709235.db2.gz OINJSOASDRCRFZ-UHFFFAOYSA-N -1 1 383.286 2.482 20 0 GEADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000529990769 650710366 /nfs/dbraw/zinc/71/03/66/650710366.db2.gz MRRKXBNXBZWSJU-PUXPGTEJSA-N -1 1 395.308 2.200 20 0 GEADMM O=C(COC(=O)c1cccnc1SC(F)F)N[N-]C(=O)c1cccs1 ZINC000022900152 642410571 /nfs/dbraw/zinc/41/05/71/642410571.db2.gz QPHVPGIVIZVXIE-UHFFFAOYSA-N -1 1 387.389 2.076 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(Cc3ccccc3)C2)sc1C ZINC000533916849 650766812 /nfs/dbraw/zinc/76/68/12/650766812.db2.gz QNFCTUPFJLEHQT-OAHLLOKOSA-N -1 1 379.507 2.087 20 0 GEADMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000043531986 642561466 /nfs/dbraw/zinc/56/14/66/642561466.db2.gz AEMXORPCLKSBPO-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)[N-]OCc1ccccc1 ZINC000043544595 642561752 /nfs/dbraw/zinc/56/17/52/642561752.db2.gz OOXGTAZCRIQGFY-UHFFFAOYSA-N -1 1 380.491 2.323 20 0 GEADMM O=S(=O)([N-]CCCCn1ccnc1)c1cc(Br)cnc1Cl ZINC000044353337 642576865 /nfs/dbraw/zinc/57/68/65/642576865.db2.gz OGRNINBAWXQYOQ-UHFFFAOYSA-N -1 1 393.694 2.453 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2nccn2C(F)F)o1 ZINC000046314313 642609713 /nfs/dbraw/zinc/60/97/13/642609713.db2.gz JZGDLBOWBJAIRY-UHFFFAOYSA-N -1 1 377.369 2.305 20 0 GEADMM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1F ZINC000534237335 650771254 /nfs/dbraw/zinc/77/12/54/650771254.db2.gz PIROJYQLCJZCFZ-UHFFFAOYSA-N -1 1 388.442 2.484 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c(C)c1 ZINC000050531611 642684087 /nfs/dbraw/zinc/68/40/87/642684087.db2.gz GDBFYTVMMPSDAW-UHFFFAOYSA-N -1 1 382.825 2.335 20 0 GEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051695128 642703002 /nfs/dbraw/zinc/70/30/02/642703002.db2.gz AWPYRORJXSUHQV-WCQYABFASA-N -1 1 388.511 2.314 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)cc1Cl ZINC000534941399 650782367 /nfs/dbraw/zinc/78/23/67/650782367.db2.gz IHXDWVKJUXZLPP-UHFFFAOYSA-N -1 1 380.809 2.375 20 0 GEADMM Cc1nc(C2([N-]S(=O)(=O)c3c(Cl)nc4ccccn43)CCCC2)no1 ZINC000056054824 642787526 /nfs/dbraw/zinc/78/75/26/642787526.db2.gz YXVKMDSBWLKOLG-UHFFFAOYSA-N -1 1 381.845 2.427 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCCN(C(=O)OC(C)(C)C)C2CC2)c1Cl ZINC000056057651 642788050 /nfs/dbraw/zinc/78/80/50/642788050.db2.gz JFKXRUPIUZBLTG-UHFFFAOYSA-N -1 1 392.909 2.141 20 0 GEADMM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535139373 650785796 /nfs/dbraw/zinc/78/57/96/650785796.db2.gz UOYMWXFYFXPDDE-UHFFFAOYSA-N -1 1 386.788 2.094 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1OC ZINC000060554546 642836698 /nfs/dbraw/zinc/83/66/98/642836698.db2.gz RKPQZZFHOZBGFS-UHFFFAOYSA-N -1 1 389.426 2.047 20 0 GEADMM CC[C@@H](CNC(=O)c1coc(S(=O)(=O)[N-]C)c1)Oc1cccc(Cl)c1 ZINC000535152369 650786209 /nfs/dbraw/zinc/78/62/09/650786209.db2.gz GNQDMWQRIIVNAL-ZDUSSCGKSA-N -1 1 386.857 2.429 20 0 GEADMM CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000066000293 642893998 /nfs/dbraw/zinc/89/39/98/642893998.db2.gz GYEONFKFPQFDJS-JTQLQIEISA-N -1 1 379.460 2.095 20 0 GEADMM Cn1c(CNC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)n[n-]c1=S ZINC000066626412 642928024 /nfs/dbraw/zinc/92/80/24/642928024.db2.gz PGFNGGMXYGPACX-UHFFFAOYSA-N -1 1 375.435 2.260 20 0 GEADMM Cn1c(CNC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)n[n-]c1=S ZINC000066625474 642928197 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CSCCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000067899575 642980265 /nfs/dbraw/zinc/98/02/65/642980265.db2.gz ZBJINJOBXWBXOF-UHFFFAOYSA-N -1 1 386.520 2.040 20 0 GEADMM O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000068440453 642997650 /nfs/dbraw/zinc/99/76/50/642997650.db2.gz YUXLTIKZUJQZCD-GFCCVEGCSA-N -1 1 384.201 2.464 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCc2cccs2)c(F)c1 ZINC000536705165 650806108 /nfs/dbraw/zinc/80/61/08/650806108.db2.gz NUXAZMKAUDMEPX-UHFFFAOYSA-N -1 1 392.499 2.170 20 0 GEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)ccc12 ZINC000093909375 643081332 /nfs/dbraw/zinc/08/13/32/643081332.db2.gz JSLDYIWMNXHGEQ-UHFFFAOYSA-N -1 1 383.426 2.215 20 0 GEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)ccc12 ZINC000093909375 643081340 /nfs/dbraw/zinc/08/13/40/643081340.db2.gz JSLDYIWMNXHGEQ-UHFFFAOYSA-N -1 1 383.426 2.215 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CSC[C@H]1C(=O)N1CCCC1 ZINC000094075332 643086347 /nfs/dbraw/zinc/08/63/47/643086347.db2.gz FQEWKLBQJBYDMS-LBPRGKRZSA-N -1 1 385.283 2.292 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000094100566 643086969 /nfs/dbraw/zinc/08/69/69/643086969.db2.gz AZHZNWCRWXXPGH-AWEZNQCLSA-N -1 1 397.269 2.008 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCc3occc32)c(F)c1 ZINC000102932605 643146863 /nfs/dbraw/zinc/14/68/63/643146863.db2.gz KVSVIHZCCLIGNE-ZDUSSCGKSA-N -1 1 388.442 2.146 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)ccc1F ZINC000103060768 643152365 /nfs/dbraw/zinc/15/23/65/643152365.db2.gz IAKKNUXSEKDBAY-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000104756331 643192469 /nfs/dbraw/zinc/19/24/69/643192469.db2.gz XSKQABGZWUPLHC-UHFFFAOYSA-N -1 1 388.536 2.323 20 0 GEADMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000112846486 643374796 /nfs/dbraw/zinc/37/47/96/643374796.db2.gz AWROKUFCTMQDAY-JTQLQIEISA-N -1 1 378.288 2.440 20 0 GEADMM Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(Br)s1 ZINC000538606111 650837349 /nfs/dbraw/zinc/83/73/49/650837349.db2.gz ACEFJMBREWMHBX-UHFFFAOYSA-N -1 1 391.268 2.424 20 0 GEADMM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000116357285 643460346 /nfs/dbraw/zinc/46/03/46/643460346.db2.gz FFGPLLGJQZHARH-GHMZBOCLSA-N -1 1 378.416 2.466 20 0 GEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc([S@](C)=O)c3)cc21 ZINC000117739140 643496567 /nfs/dbraw/zinc/49/65/67/643496567.db2.gz ILNGMHWDRPKDKC-XMMPIXPASA-N -1 1 378.475 2.134 20 0 GEADMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1)CCC2 ZINC000119026638 643530888 /nfs/dbraw/zinc/53/08/88/643530888.db2.gz KRCNJNGANUKSSP-LLVKDONJSA-N -1 1 383.495 2.356 20 0 GEADMM CN(C)c1nc2sc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2s1 ZINC000539707265 650848373 /nfs/dbraw/zinc/84/83/73/650848373.db2.gz YCBNNKCTSMTUHL-UHFFFAOYSA-N -1 1 398.491 2.029 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncccc2C)c(Br)o1 ZINC000119644397 643563490 /nfs/dbraw/zinc/56/34/90/643563490.db2.gz MBQIMWZNVNJFLH-UHFFFAOYSA-N -1 1 389.227 2.011 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Br)cc(OC)c2)o1 ZINC000498328783 650854121 /nfs/dbraw/zinc/85/41/21/650854121.db2.gz NXERKQBLDPQVAL-UHFFFAOYSA-N -1 1 389.227 2.211 20 0 GEADMM COc1c2cnn(C)c2ncc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000121492477 643633549 /nfs/dbraw/zinc/63/35/49/643633549.db2.gz SVUIBFCZKODOFZ-UHFFFAOYSA-N -1 1 378.186 2.092 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1Cl ZINC000121749379 643639393 /nfs/dbraw/zinc/63/93/93/643639393.db2.gz FYDUTLOHMJDRGV-QWHCGFSZSA-N -1 1 389.308 2.451 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCNc2ncc(Cl)cc2Cl)c1Cl ZINC000124799382 643690528 /nfs/dbraw/zinc/69/05/28/643690528.db2.gz VXCQDYONWVFFDP-UHFFFAOYSA-N -1 1 384.676 2.166 20 0 GEADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)co1 ZINC000130823508 643852440 /nfs/dbraw/zinc/85/24/40/643852440.db2.gz WKQPXLZWDBEHKP-UHFFFAOYSA-N -1 1 384.483 2.414 20 0 GEADMM C[S@@](=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000134728625 643905759 /nfs/dbraw/zinc/90/57/59/643905759.db2.gz HHWISRGITUJYRW-KRWDZBQOSA-N -1 1 395.127 2.413 20 0 GEADMM O=C(NC1CCN(c2ncccn2)CC1)c1ccc(Br)c([O-])c1 ZINC000135991794 643917154 /nfs/dbraw/zinc/91/71/54/643917154.db2.gz VURQQTXNSXFFQD-UHFFFAOYSA-N -1 1 377.242 2.344 20 0 GEADMM Cn1[n-]c(CN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)nc1=O ZINC000541577933 650878090 /nfs/dbraw/zinc/87/80/90/650878090.db2.gz BDAFEFGZIRFMQG-CYBMUJFWSA-N -1 1 384.267 2.408 20 0 GEADMM COc1cc[n-]c(=NNC(=O)Nc2ccc(I)cc2)n1 ZINC000153285236 643983493 /nfs/dbraw/zinc/98/34/93/643983493.db2.gz JLIBXJRARYLMJV-UHFFFAOYSA-N -1 1 385.165 2.238 20 0 GEADMM O=C(Cc1ccc(Cl)cc1Br)Nc1nc(SCCO)n[nH]1 ZINC000155308340 644068981 /nfs/dbraw/zinc/06/89/81/644068981.db2.gz UPJPLBZAZZGHGY-UHFFFAOYSA-N -1 1 391.678 2.486 20 0 GEADMM Cc1cc(Br)cnc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000156400100 644094186 /nfs/dbraw/zinc/09/41/86/644094186.db2.gz YEHFSHOIHRPNGH-UHFFFAOYSA-N -1 1 390.241 2.287 20 0 GEADMM C[C@H](C(=O)Nc1nc(Br)ccc1[O-])n1nnc(-c2ccccc2)n1 ZINC000156395796 644094386 /nfs/dbraw/zinc/09/43/86/644094386.db2.gz CZZDGRVXGGQUJS-SECBINFHSA-N -1 1 389.213 2.403 20 0 GEADMM Cc1ccc(O[C@@H](C)C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(Br)c1 ZINC000156546251 644102774 /nfs/dbraw/zinc/10/27/74/644102774.db2.gz ADZGEXBJRYBMDD-MNOVXSKESA-N -1 1 382.262 2.300 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(S(C)(=O)=O)C3)cc1 ZINC000158820859 644161686 /nfs/dbraw/zinc/16/16/86/644161686.db2.gz MLMAFAXDIUYCKQ-UHFFFAOYSA-N -1 1 380.491 2.114 20 0 GEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C1CC1 ZINC000172464250 644339606 /nfs/dbraw/zinc/33/96/06/644339606.db2.gz RTRNBNAQTGJULM-LBPRGKRZSA-N -1 1 397.678 2.118 20 0 GEADMM C[C@H](NC(=O)c1ncn[nH]1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000543763769 650922923 /nfs/dbraw/zinc/92/29/23/650922923.db2.gz WQJHPKHWPHUSNF-JTQLQIEISA-N -1 1 377.451 2.158 20 0 GEADMM C[C@H](NC(=O)c1nc[nH]n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000543763769 650922928 /nfs/dbraw/zinc/92/29/28/650922928.db2.gz WQJHPKHWPHUSNF-JTQLQIEISA-N -1 1 377.451 2.158 20 0 GEADMM Cc1ccccc1-n1ccnc1S(=O)(=O)CCC[N-]C(=O)C(F)(F)F ZINC000180652124 644512138 /nfs/dbraw/zinc/51/21/38/644512138.db2.gz GSNSJBKVGJFFBF-UHFFFAOYSA-N -1 1 375.372 2.023 20 0 GEADMM COc1ccc(C(=O)[N-]NC(=O)CCc2ccccc2)nc1Br ZINC000180979001 644520415 /nfs/dbraw/zinc/52/04/15/644520415.db2.gz BITGONGKBZSVRB-UHFFFAOYSA-N -1 1 378.226 2.247 20 0 GEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)cc21 ZINC000181162980 644527343 /nfs/dbraw/zinc/52/73/43/644527343.db2.gz GFRYDEQQANEKNJ-UHFFFAOYSA-N -1 1 380.491 2.024 20 0 GEADMM CCc1nnc([C@H](C)NC(=O)c2ccc(I)c([O-])c2)[nH]1 ZINC000544880517 650957227 /nfs/dbraw/zinc/95/72/27/650957227.db2.gz FDEYHRMNXXMRMQ-ZETCQYMHSA-N -1 1 386.193 2.168 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1C ZINC000545124532 650962399 /nfs/dbraw/zinc/96/23/99/650962399.db2.gz FPTZHTRMSSGGOW-XMMPIXPASA-N -1 1 381.475 2.461 20 0 GEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc(F)cc1Br ZINC000181999436 644955475 /nfs/dbraw/zinc/95/54/75/644955475.db2.gz UDULAOUSSXLCPC-UHFFFAOYSA-N -1 1 395.188 2.027 20 0 GEADMM Cc1cc(C(=O)[N-]NC(=O)Nc2ccc(I)cc2C)n[nH]1 ZINC000182705558 644967729 /nfs/dbraw/zinc/96/77/29/644967729.db2.gz LOXBRLRKIMGZQL-UHFFFAOYSA-N -1 1 399.192 2.098 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c1 ZINC000545468017 650975619 /nfs/dbraw/zinc/97/56/19/650975619.db2.gz INSCQSDJMTXTPK-UHFFFAOYSA-N -1 1 385.335 2.002 20 0 GEADMM CCOCCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000187158478 645083548 /nfs/dbraw/zinc/08/35/48/645083548.db2.gz IYQUROAIEVUYFE-GFCCVEGCSA-N -1 1 385.258 2.195 20 0 GEADMM O=C(Cc1cccnc1)N[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187429036 645090310 /nfs/dbraw/zinc/09/03/10/645090310.db2.gz ZSPCMRKTXBWNEE-UHFFFAOYSA-N -1 1 393.774 2.306 20 0 GEADMM COc1ccc(OCc2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000545614018 650979597 /nfs/dbraw/zinc/97/95/97/650979597.db2.gz JFQHMVUYHUSYFI-UHFFFAOYSA-N -1 1 381.435 2.197 20 0 GEADMM Cn1cc(Br)cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1=O ZINC000190315618 645151539 /nfs/dbraw/zinc/15/15/39/645151539.db2.gz VSHGBWPJWUYXHG-UHFFFAOYSA-N -1 1 397.250 2.323 20 0 GEADMM COc1cc(C)[n-]c(=NNC(=O)Cc2ccc(I)cc2)n1 ZINC000190959057 645168277 /nfs/dbraw/zinc/16/82/77/645168277.db2.gz IXRYJAWSYYMTDS-UHFFFAOYSA-N -1 1 398.204 2.084 20 0 GEADMM COc1ccccc1OCC(=O)N[N-]C(=O)c1cccc(Br)c1F ZINC000192063452 645191312 /nfs/dbraw/zinc/19/13/12/645191312.db2.gz IMIBSXTWAHLLNW-UHFFFAOYSA-N -1 1 397.200 2.437 20 0 GEADMM Brc1cc(CNC2(c3nnn[n-]3)CCCC2)cc2c1OCCO2 ZINC000546035049 650988503 /nfs/dbraw/zinc/98/85/03/650988503.db2.gz VXEXCUNZCYNPOQ-UHFFFAOYSA-N -1 1 380.246 2.293 20 0 GEADMM CC1=C(C(=O)Nc2nc(Br)ccc2[O-])[C@H](C)n2ncnc2N1C ZINC000192618206 645214509 /nfs/dbraw/zinc/21/45/09/645214509.db2.gz FWISDWJPQUAGNL-QMMMGPOBSA-N -1 1 379.218 2.065 20 0 GEADMM CN(C)c1ncccc1CNC(=O)c1cc(I)ccc1[O-] ZINC000193204343 645250664 /nfs/dbraw/zinc/25/06/64/645250664.db2.gz XLBOTCFGJHGUPL-UHFFFAOYSA-N -1 1 397.216 2.388 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000546167932 650993756 /nfs/dbraw/zinc/99/37/56/650993756.db2.gz YWRHUCLMHBTTPR-VXGBXAGGSA-N -1 1 387.217 2.495 20 0 GEADMM CC(C)c1csc(NC(=O)C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)n1 ZINC000193291656 645262747 /nfs/dbraw/zinc/26/27/47/645262747.db2.gz BSLSYSGZBIALSP-UHFFFAOYSA-N -1 1 384.820 2.459 20 0 GEADMM CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000546211350 650995644 /nfs/dbraw/zinc/99/56/44/650995644.db2.gz FIQHJOMBSNLGGX-SECBINFHSA-N -1 1 391.205 2.458 20 0 GEADMM CN1CCN(C(=O)c2ccc(I)c([O-])c2)c2cccnc21 ZINC000546212410 650996171 /nfs/dbraw/zinc/99/61/71/650996171.db2.gz SQJVXOBNHGHVDC-UHFFFAOYSA-N -1 1 395.200 2.488 20 0 GEADMM CC(C)CN1CCO[C@@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000194136428 645314831 /nfs/dbraw/zinc/31/48/31/645314831.db2.gz MPVBELGROXZUDE-NSHDSACASA-N -1 1 397.360 2.146 20 0 GEADMM CN(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c(F)c1 ZINC000546533545 651001213 /nfs/dbraw/zinc/00/12/13/651001213.db2.gz NYTXBLJGVDZZMV-UHFFFAOYSA-N -1 1 382.442 2.482 20 0 GEADMM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1cncnc1-n1cccn1 ZINC000194701875 645343213 /nfs/dbraw/zinc/34/32/13/645343213.db2.gz MWZZXQVNRTZFBY-UHFFFAOYSA-N -1 1 394.254 2.367 20 0 GEADMM CN(C(=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1)C1CCCCC1 ZINC000195160026 645358106 /nfs/dbraw/zinc/35/81/06/645358106.db2.gz ROXZFVHTNLGVTD-UHFFFAOYSA-N -1 1 382.511 2.022 20 0 GEADMM CN(C(=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1)C1CCCCC1 ZINC000195160026 645358125 /nfs/dbraw/zinc/35/81/25/645358125.db2.gz ROXZFVHTNLGVTD-UHFFFAOYSA-N -1 1 382.511 2.022 20 0 GEADMM C[C@@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195161757 645358903 /nfs/dbraw/zinc/35/89/03/645358903.db2.gz BQIMOBWNGUHAJC-TXEJJXNPSA-N -1 1 382.511 2.020 20 0 GEADMM C[C@@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195161757 645358912 /nfs/dbraw/zinc/35/89/12/645358912.db2.gz BQIMOBWNGUHAJC-TXEJJXNPSA-N -1 1 382.511 2.020 20 0 GEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1ccc(Cl)nc1Cl ZINC000195444047 645378828 /nfs/dbraw/zinc/37/88/28/645378828.db2.gz SGFAAIJHHXGXGZ-UHFFFAOYSA-N -1 1 389.199 2.304 20 0 GEADMM Cn1cc(C(C)(C)NC(=O)c2ccc(I)c([O-])c2)cn1 ZINC000546705289 651007274 /nfs/dbraw/zinc/00/72/74/651007274.db2.gz OMSANFUAQVPVJD-UHFFFAOYSA-N -1 1 385.205 2.395 20 0 GEADMM COC(=O)CCCCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230886375 645400341 /nfs/dbraw/zinc/40/03/41/645400341.db2.gz UHFVGHKFYRIBRU-UHFFFAOYSA-N -1 1 391.205 2.460 20 0 GEADMM COCC1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000230894383 645401237 /nfs/dbraw/zinc/40/12/37/645401237.db2.gz NXIPHZXEGJZRSK-UHFFFAOYSA-N -1 1 375.206 2.495 20 0 GEADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(I)c([O-])c1 ZINC000230903820 645402818 /nfs/dbraw/zinc/40/28/18/645402818.db2.gz YSXMHDULRPCRNH-CYBMUJFWSA-N -1 1 397.212 2.330 20 0 GEADMM CC(C)OC(=O)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000546876364 651012405 /nfs/dbraw/zinc/01/24/05/651012405.db2.gz NOGLRHOSOICCLF-UHFFFAOYSA-N -1 1 377.178 2.068 20 0 GEADMM CN(C)C(=O)C1(C[N-]S(=O)(=O)c2sccc2Br)CCCC1 ZINC000264968910 645733570 /nfs/dbraw/zinc/73/35/70/645733570.db2.gz QDQSYTQLTYDXSW-UHFFFAOYSA-N -1 1 395.344 2.438 20 0 GEADMM CCNc1ccc(S(=O)(=O)C(F)F)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000265448886 645759855 /nfs/dbraw/zinc/75/98/55/645759855.db2.gz YZFXPTWYFCHDJN-SNVBAGLBSA-N -1 1 398.453 2.035 20 0 GEADMM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000266055014 645821017 /nfs/dbraw/zinc/82/10/17/645821017.db2.gz STIOSAORYVKWLM-UHFFFAOYSA-N -1 1 382.463 2.102 20 0 GEADMM COCc1nc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)co1 ZINC000547863792 651048510 /nfs/dbraw/zinc/04/85/10/651048510.db2.gz UHHIAPBUMOXIAL-UHFFFAOYSA-N -1 1 392.213 2.476 20 0 GEADMM CSc1n[nH]c(NC(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)n1 ZINC000267027318 645875029 /nfs/dbraw/zinc/87/50/29/645875029.db2.gz RAQVHLWBZSJNDO-UHFFFAOYSA-N -1 1 395.388 2.349 20 0 GEADMM 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CN(C)c1cc(F)cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000844832960 653822101 /nfs/dbraw/zinc/82/21/01/653822101.db2.gz DKKWVCAPGWSZDZ-UHFFFAOYSA-N -1 1 386.470 2.237 20 0 GEADMM O=S(=O)([N-]CC[C@H]1CCc2ccccc2N1)c1nc[nH]c1Br ZINC000866774367 653823268 /nfs/dbraw/zinc/82/32/68/653823268.db2.gz LCSRBADVIPDNMU-LLVKDONJSA-N -1 1 385.287 2.268 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(OC)c1OC1CCCC1 ZINC000866785374 653825649 /nfs/dbraw/zinc/82/56/49/653825649.db2.gz CDORIIWRJOWIAP-DEOSSOPVSA-N -1 1 390.527 2.469 20 0 GEADMM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1OC ZINC000866789357 653826678 /nfs/dbraw/zinc/82/66/78/653826678.db2.gz KYZWTIAAHWPCGS-JTQLQIEISA-N -1 1 380.463 2.000 20 0 GEADMM O=S(=O)([N-][C@@H]1CCCN(c2ccccc2)C1)c1nc[nH]c1Br ZINC000866795231 653827669 /nfs/dbraw/zinc/82/76/69/653827669.db2.gz XRDVLAOHXPXTGM-LLVKDONJSA-N -1 1 385.287 2.120 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000866815554 653831576 /nfs/dbraw/zinc/83/15/76/653831576.db2.gz DFJQYCFLFIKADX-QFIPXVFZSA-N -1 1 380.919 2.298 20 0 GEADMM O=C(OC[C@@H]1CCCS(=O)(=O)C1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000792293124 653839362 /nfs/dbraw/zinc/83/93/62/653839362.db2.gz AQFZMVGIMJKTGY-NSHDSACASA-N -1 1 384.841 2.213 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](Cc1nccn1C)c1ccccc1 ZINC000866891450 653844759 /nfs/dbraw/zinc/84/47/59/653844759.db2.gz DYYNIQRGZJXNEP-OAHLLOKOSA-N -1 1 384.527 2.046 20 0 GEADMM CCC(CC)(CCO)C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866905027 653847336 /nfs/dbraw/zinc/84/73/36/653847336.db2.gz VYDSEQFQRVWINU-HSZRJFAPSA-N -1 1 380.507 2.306 20 0 GEADMM O=S(=O)([N-]C[C@H]1SCCc2ccccc21)c1nc[nH]c1Br ZINC000866924079 653850198 /nfs/dbraw/zinc/85/01/98/653850198.db2.gz XZQXOUMJVOETQI-LLVKDONJSA-N -1 1 388.312 2.481 20 0 GEADMM CCOc1cccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1OC(F)F ZINC000866948584 653853444 /nfs/dbraw/zinc/85/34/44/653853444.db2.gz KJRNMVDNCVAMOJ-QHCPKHFHSA-N -1 1 386.442 2.139 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000866955513 653854838 /nfs/dbraw/zinc/85/48/38/653854838.db2.gz VTAASKXATXQXNP-OAHLLOKOSA-N -1 1 390.527 2.005 20 0 GEADMM O=C(c1ccc2scc(Br)c2c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000823190013 653857103 /nfs/dbraw/zinc/85/71/03/653857103.db2.gz BKUMNQXRERTHGV-LLVKDONJSA-N -1 1 394.254 2.391 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)CCN1C1CCCCC1 ZINC000866972284 653858205 /nfs/dbraw/zinc/85/82/05/653858205.db2.gz PXPIVIFPVDDYKJ-LLVKDONJSA-N -1 1 375.853 2.086 20 0 GEADMM CC(C)Oc1cc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)ccn1 ZINC000867005029 653864234 /nfs/dbraw/zinc/86/42/34/653864234.db2.gz YVKIAXKELWKLQQ-DEOSSOPVSA-N -1 1 383.495 2.360 20 0 GEADMM CC(C)Oc1cc(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)ccn1 ZINC000867005030 653864247 /nfs/dbraw/zinc/86/42/47/653864247.db2.gz YVKIAXKELWKLQQ-XMMPIXPASA-N -1 1 383.495 2.360 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1C(F)(F)F ZINC000867012884 653865559 /nfs/dbraw/zinc/86/55/59/653865559.db2.gz KRZAWSZMOKKBPZ-XWIASGKRSA-N -1 1 379.404 2.065 20 0 GEADMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000867061289 653873230 /nfs/dbraw/zinc/87/32/30/653873230.db2.gz VCSVRAGAZDYLAH-JTQLQIEISA-N -1 1 396.868 2.289 20 0 GEADMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000845968964 653874054 /nfs/dbraw/zinc/87/40/54/653874054.db2.gz OXFIAFSVXHPPNO-RNCFNFMXSA-N -1 1 381.853 2.341 20 0 GEADMM CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000867093714 653877729 /nfs/dbraw/zinc/87/77/29/653877729.db2.gz VWTQQVUHABOQQZ-SNAWJCMRSA-N -1 1 379.841 2.233 20 0 GEADMM CCON(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000846004622 653879562 /nfs/dbraw/zinc/87/95/62/653879562.db2.gz SMZFSIQXQFIOIC-UHFFFAOYSA-N -1 1 375.661 2.335 20 0 GEADMM C[C@]1(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CCO[C@H]1C1CC1 ZINC000867118762 653881881 /nfs/dbraw/zinc/88/18/81/653881881.db2.gz YCAVXVCOIRPSFO-VMPBMTGNSA-N -1 1 390.502 2.322 20 0 GEADMM CC(C)(O)c1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 ZINC000867121400 653882554 /nfs/dbraw/zinc/88/25/54/653882554.db2.gz BDDJJBWZXARVDX-XMMPIXPASA-N -1 1 382.507 2.405 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000867124155 653883170 /nfs/dbraw/zinc/88/31/70/653883170.db2.gz KBYIOMKTFUFISX-APXPCNQMSA-N -1 1 399.460 2.236 20 0 GEADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867155831 653887231 /nfs/dbraw/zinc/88/72/31/653887231.db2.gz GOYBNAGCKUEYCG-SSDOTTSWSA-N -1 1 378.214 2.438 20 0 GEADMM CC(C)[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)c1ccnn1C ZINC000867169521 653888494 /nfs/dbraw/zinc/88/84/94/653888494.db2.gz YGRGUFCSOQEGPE-MYYSRTQBSA-N -1 1 384.527 2.151 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1)c1ccccc1F ZINC000867204974 653894313 /nfs/dbraw/zinc/89/43/13/653894313.db2.gz WZQGZMMOFAGYTP-XMMPIXPASA-N -1 1 390.502 2.060 20 0 GEADMM CSc1nc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)cc(=O)[n-]1 ZINC000824602835 653902568 /nfs/dbraw/zinc/90/25/68/653902568.db2.gz KPYHAEVNXFCCOA-UHFFFAOYSA-N -1 1 379.339 2.292 20 0 GEADMM CCC[C@H]([N-]S(=O)(=O)c1ccns1)C(=O)N1CCc2sccc2C1 ZINC000884997595 653904773 /nfs/dbraw/zinc/90/47/73/653904773.db2.gz XURWOQUHSHOPRO-LBPRGKRZSA-N -1 1 385.536 2.237 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccns2)C(C)(C)C1 ZINC000885172397 653915225 /nfs/dbraw/zinc/91/52/25/653915225.db2.gz WTALSTLAGAUSBM-NSHDSACASA-N -1 1 375.516 2.457 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2scc3c2OCCO3)C1)C(F)(F)F ZINC000847055074 653916479 /nfs/dbraw/zinc/91/64/79/653916479.db2.gz XDCPZMBPDWQLPR-VIFPVBQESA-N -1 1 378.372 2.050 20 0 GEADMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([N-]S(=O)(=O)c3ccns3)C[C@H]2C1 ZINC000885235140 653918283 /nfs/dbraw/zinc/91/82/83/653918283.db2.gz HFPKIVKSCGHERU-AVGNSLFASA-N -1 1 387.527 2.457 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC(C)=NO1 ZINC000867350084 653920090 /nfs/dbraw/zinc/92/00/90/653920090.db2.gz VDEDTHFMYGAMAJ-VIFPVBQESA-N -1 1 381.237 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/nfs/dbraw/zinc/93/87/63/653938763.db2.gz HUWWYCABJYULHT-XMMPIXPASA-N -1 1 385.486 2.371 20 0 GEADMM O=S(=O)(Oc1cccc2c1OCCCO2)c1[n-]cnc1Br ZINC000867493690 653940506 /nfs/dbraw/zinc/94/05/06/653940506.db2.gz PHISLWDYDWUDJR-UHFFFAOYSA-N -1 1 375.200 2.101 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2nc(Cc3ccccc3F)no2)sc1C ZINC000885675479 653942289 /nfs/dbraw/zinc/94/22/89/653942289.db2.gz WBPULIWRSSZXGL-UHFFFAOYSA-N -1 1 382.442 2.351 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccn(C)c2=O)c(F)cc1Cl ZINC000795330028 653945673 /nfs/dbraw/zinc/94/56/73/653945673.db2.gz JBFARDRCVKGLNE-UHFFFAOYSA-N -1 1 388.804 2.074 20 0 GEADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)[C@]1(O)CCCOC1 ZINC000867529297 653946315 /nfs/dbraw/zinc/94/63/15/653946315.db2.gz JRSOOXCEDGLITF-AWEZNQCLSA-N -1 1 383.297 2.234 20 0 GEADMM COc1cc(Br)ccc1CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826176997 653948224 /nfs/dbraw/zinc/94/82/24/653948224.db2.gz NJVQAOWCQOATNE-UHFFFAOYSA-N -1 1 390.245 2.473 20 0 GEADMM COc1cc(Br)ccc1CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826176997 653948225 /nfs/dbraw/zinc/94/82/25/653948225.db2.gz NJVQAOWCQOATNE-UHFFFAOYSA-N -1 1 390.245 2.473 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1 ZINC000795380389 653949146 /nfs/dbraw/zinc/94/91/46/653949146.db2.gz KYBQNOFBWDFDOI-NSHDSACASA-N -1 1 387.454 2.473 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c1Br ZINC000867549129 653949686 /nfs/dbraw/zinc/94/96/86/653949686.db2.gz HRGMKKFHPQBEHS-LURJTMIESA-N -1 1 377.091 2.045 20 0 GEADMM O=S(=O)(NCCCOC1CCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491216 653952110 /nfs/dbraw/zinc/95/21/10/653952110.db2.gz YFODYVJKIUTGBE-UHFFFAOYSA-N -1 1 385.877 2.148 20 0 GEADMM O=S(=O)(NCCCOC1CCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491216 653952114 /nfs/dbraw/zinc/95/21/14/653952114.db2.gz YFODYVJKIUTGBE-UHFFFAOYSA-N -1 1 385.877 2.148 20 0 GEADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(=O)N1CCCC1 ZINC000867565944 653952648 /nfs/dbraw/zinc/95/26/48/653952648.db2.gz 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CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)c1ccccc1 ZINC000872515880 654362261 /nfs/dbraw/zinc/36/22/61/654362261.db2.gz IYMDQPMTYWJLTP-LLVKDONJSA-N -1 1 375.372 2.379 20 0 GEADMM O=S(=O)([N-]C1(c2ncccn2)CCOCC1)c1cc(Cl)cnc1Cl ZINC000922074179 654363559 /nfs/dbraw/zinc/36/35/59/654363559.db2.gz YFYVWNVOFDLNDJ-UHFFFAOYSA-N -1 1 389.264 2.163 20 0 GEADMM O=S(=O)([N-][C@@H]1C[C@H](O)C12CCOCC2)c1ccc(Cl)c(F)c1Cl ZINC000922086780 654366008 /nfs/dbraw/zinc/36/60/08/654366008.db2.gz IVDNHIRIBUKWTM-MNOVXSKESA-N -1 1 384.256 2.341 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1cccc(C(F)(F)F)c1 ZINC000872542364 654368027 /nfs/dbraw/zinc/36/80/27/654368027.db2.gz ACTRLABRYUDLTQ-LBPRGKRZSA-N -1 1 383.388 2.264 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)c2nccnc2C)c1F ZINC000872637878 654384674 /nfs/dbraw/zinc/38/46/74/654384674.db2.gz SLSKODDWYYVURV-VIFPVBQESA-N -1 1 387.820 2.404 20 0 GEADMM CCn1c(C2CC2)nn(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1=S ZINC000872753944 654394442 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GEADMM CC1(C)CN(S(=O)(=O)c2ccc(CCC[N-]C(=O)C(F)(F)F)cc2)C1 ZINC000907163440 654516341 /nfs/dbraw/zinc/51/63/41/654516341.db2.gz BIPNKIGSVKIDFJ-UHFFFAOYSA-N -1 1 378.416 2.328 20 0 GEADMM C[C@@H]1C[C@H](C)N1S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907163698 654516461 /nfs/dbraw/zinc/51/64/61/654516461.db2.gz AWXLGQRHXNCZRR-TXEJJXNPSA-N -1 1 378.416 2.469 20 0 GEADMM C[C@@H](CN(C)C(=O)c1ccc(OC(F)F)c(Br)c1)c1nn[n-]n1 ZINC000907351188 654534826 /nfs/dbraw/zinc/53/48/26/654534826.db2.gz ZZDYCPJMKVYHHK-ZETCQYMHSA-N -1 1 390.188 2.439 20 0 GEADMM CC(=Cc1ccc(Br)o1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478925 654547644 /nfs/dbraw/zinc/54/76/44/654547644.db2.gz XOCWXFGMQVZLOE-PCGIRMHASA-N -1 1 384.259 2.275 20 0 GEADMM O=C(c1ccc(SC(F)(F)F)nc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907482612 654548573 /nfs/dbraw/zinc/54/85/73/654548573.db2.gz REUPFKQTBZCDKS-MRVPVSSYSA-N -1 1 376.389 2.137 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-][C@H](CCO)C1CCCC1)c1ccccc1F ZINC000907818596 654580829 /nfs/dbraw/zinc/58/08/29/654580829.db2.gz LRICEYHWIIXFPJ-FATZIPQQSA-N -1 1 378.491 2.058 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1ncc(Br)cn1 ZINC000926974368 654586582 /nfs/dbraw/zinc/58/65/82/654586582.db2.gz PCLQIMLDALMIPW-UHFFFAOYSA-N -1 1 384.259 2.037 20 0 GEADMM CCOC(=O)[C@@H](CCOC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000907976878 654594190 /nfs/dbraw/zinc/59/41/90/654594190.db2.gz BGKYYSRDGOSEOT-SNVBAGLBSA-N -1 1 395.200 2.020 20 0 GEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)[n-]c1=O ZINC000908012345 654596290 /nfs/dbraw/zinc/59/62/90/654596290.db2.gz MWYALTWRPGTGLB-MRVPVSSYSA-N -1 1 375.859 2.432 20 0 GEADMM COc1cnc([C@H]2CCCN2S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)[n-]c1=O ZINC000908015235 654596722 /nfs/dbraw/zinc/59/67/22/654596722.db2.gz AFRJDXHXALUYAL-NXEZZACHSA-N -1 1 396.296 2.241 20 0 GEADMM COCCO[C@]12CCC[C@@]1([N-]S(=O)(=O)c1cc(Cl)ccc1F)CCO2 ZINC000908047605 654599846 /nfs/dbraw/zinc/59/98/46/654599846.db2.gz NDGFTPZOYQPRRR-HZPDHXFCSA-N -1 1 393.864 2.460 20 0 GEADMM CSc1nc(C)c(CCC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)c(=O)[n-]1 ZINC000927586038 654605312 /nfs/dbraw/zinc/60/53/12/654605312.db2.gz MSNIHCAAISOADH-MWLCHTKSSA-N -1 1 379.404 2.371 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@H](O)C1CC1 ZINC000908311850 654621306 /nfs/dbraw/zinc/62/13/06/654621306.db2.gz GEYYUZPWRPQQDH-DAOPMYJZSA-N -1 1 386.417 2.029 20 0 GEADMM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000908397382 654625365 /nfs/dbraw/zinc/62/53/65/654625365.db2.gz SCUYUSBGAKSEAG-CQSZACIVSA-N -1 1 392.264 2.100 20 0 GEADMM CC(C)[C@@H](C(=O)Nc1cccc([O-])c1Br)N1CCCS1(=O)=O ZINC000908709839 654638640 /nfs/dbraw/zinc/63/86/40/654638640.db2.gz VAIXJDBPQVBDHH-ZDUSSCGKSA-N -1 1 391.287 2.153 20 0 GEADMM CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC000908868748 654642283 /nfs/dbraw/zinc/64/22/83/654642283.db2.gz ACPTYMTZRSONOM-SKDRFNHKSA-N -1 1 390.303 2.372 20 0 GEADMM CN(C)[C@H](CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000909124194 654653478 /nfs/dbraw/zinc/65/34/78/654653478.db2.gz PTXOEVQEKVCKSM-QWHCGFSZSA-N -1 1 375.803 2.447 20 0 GEADMM O=C([O-])[C@]12CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C[C@H]1COCC2 ZINC000909565737 654668069 /nfs/dbraw/zinc/66/80/69/654668069.db2.gz RSVHZWXUFZFHMB-XXFAHNHDSA-N -1 1 381.841 2.355 20 0 GEADMM O=C(NCc1ncc2c(n1)CCC2)c1ccc(I)c([O-])c1 ZINC000909670383 654670497 /nfs/dbraw/zinc/67/04/97/654670497.db2.gz MOFXEHKSDGBIER-UHFFFAOYSA-N -1 1 395.200 2.206 20 0 GEADMM COc1ccc([C@@H](NC(=O)CN(C)C2CCC2)C(=O)[O-])cc1Br ZINC000909777198 654675656 /nfs/dbraw/zinc/67/56/56/654675656.db2.gz XBVVNKLTYFLZOR-OAHLLOKOSA-N -1 1 385.258 2.184 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000910172794 654690448 /nfs/dbraw/zinc/69/04/48/654690448.db2.gz FXIFHKFRKSCETN-BMIGLBTASA-N -1 1 375.252 2.034 20 0 GEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)C(=O)CCc2cnc[nH]2)c1 ZINC000910770153 654710241 /nfs/dbraw/zinc/71/02/41/654710241.db2.gz LPHLTQFFJLVGLP-HNNXBMFYSA-N -1 1 396.241 2.398 20 0 GEADMM CSc1nc(CNC(=O)[C@](C)(O)CSc2cccc(F)c2)cc(=O)[n-]1 ZINC000912246437 654747755 /nfs/dbraw/zinc/74/77/55/654747755.db2.gz DMIOZRXECIDYRO-MRXNPFEDSA-N -1 1 383.470 2.203 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1Cl ZINC000912528065 654758330 /nfs/dbraw/zinc/75/83/30/654758330.db2.gz NFYDGTVBGBGYOP-UHFFFAOYSA-N -1 1 378.237 2.024 20 0 GEADMM CSCC[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1nn[n-]n1 ZINC000912859741 654771552 /nfs/dbraw/zinc/77/15/52/654771552.db2.gz ALLFIDJODBGAFW-NSHDSACASA-N -1 1 375.376 2.365 20 0 GEADMM O=C(c1ccc2cc(Br)ccc2c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495621 654796028 /nfs/dbraw/zinc/79/60/28/654796028.db2.gz MDMLMYVYSAGVIE-AWEZNQCLSA-N -1 1 388.225 2.329 20 0 GEADMM Cc1cc2c(o1)c(C(=O)N1CCOC[C@H]1c1nn[n-]n1)ccc2Br ZINC000913496806 654796127 /nfs/dbraw/zinc/79/61/27/654796127.db2.gz DJZUGRAYHAQALP-LBPRGKRZSA-N -1 1 392.213 2.231 20 0 GEADMM O=C(Cc1c[nH]c2cccc(Br)c12)N1CCC(c2nn[n-]n2)CC1 ZINC000913743600 654807080 /nfs/dbraw/zinc/80/70/80/654807080.db2.gz CHEFKSWWUTVOKF-UHFFFAOYSA-N -1 1 389.257 2.392 20 0 GEADMM O=C(CCc1cc(F)ccc1Br)N1CCC(c2nn[n-]n2)CC1 ZINC000913744306 654807103 /nfs/dbraw/zinc/80/71/03/654807103.db2.gz JDUNKPLJPZFFFB-UHFFFAOYSA-N -1 1 382.237 2.440 20 0 GEADMM O=C(CSCC(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(Cl)cc1 ZINC000913743127 654807162 /nfs/dbraw/zinc/80/71/62/654807162.db2.gz HBVGYDMUQDZELP-UHFFFAOYSA-N -1 1 379.873 2.175 20 0 GEADMM O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC(c2nn[n-]n2)CC1 ZINC000913746258 654807526 /nfs/dbraw/zinc/80/75/26/654807526.db2.gz ZLROJEJLWNAXBF-VHDGCEQUSA-N -1 1 388.269 2.254 20 0 GEADMM O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CCC(c2nn[n-]n2)CC1 ZINC000913746257 654807580 /nfs/dbraw/zinc/80/75/80/654807580.db2.gz ZLROJEJLWNAXBF-NWANDNLSSA-N -1 1 388.269 2.254 20 0 GEADMM O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N1CCC(c2nn[n-]n2)CC1 ZINC000913747320 654807825 /nfs/dbraw/zinc/80/78/25/654807825.db2.gz XLKWAINPQZCRGC-RRFJBIMHSA-N -1 1 388.269 2.254 20 0 GEADMM Cc1nc(C2CCC2)sc1CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000913781107 654809105 /nfs/dbraw/zinc/80/91/05/654809105.db2.gz BKRSMMKXBRWMRO-UHFFFAOYSA-N -1 1 375.416 2.398 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@H]1CCCO1 ZINC000913884540 654813556 /nfs/dbraw/zinc/81/35/56/654813556.db2.gz VRMJGCZJGPSDHW-BGJPBQGDSA-N -1 1 386.417 2.437 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCCn2cccn2)c1F ZINC000913903724 654815138 /nfs/dbraw/zinc/81/51/38/654815138.db2.gz QRGIEUXUJGOTRY-UHFFFAOYSA-N -1 1 392.250 2.162 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](O)C2)c1F ZINC000913935757 654817249 /nfs/dbraw/zinc/81/72/49/654817249.db2.gz VITHVGSIFZCUIH-RKDXNWHRSA-N -1 1 382.251 2.179 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H](O)C2)c1F ZINC000913935756 654817269 /nfs/dbraw/zinc/81/72/69/654817269.db2.gz VITHVGSIFZCUIH-IUCAKERBSA-N -1 1 382.251 2.179 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)c1F ZINC000914140887 654829286 /nfs/dbraw/zinc/82/92/86/654829286.db2.gz RVNPLYNPGKYEHO-VHSXEESVSA-N -1 1 382.251 2.179 20 0 GEADMM CC[C@@H](O)CCC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914181024 654833115 /nfs/dbraw/zinc/83/31/15/654833115.db2.gz CUQCNEZMOJPHKS-QVQLBTGDSA-N -1 1 388.433 2.419 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCOC2)c1F ZINC000914187791 654833838 /nfs/dbraw/zinc/83/38/38/654833838.db2.gz IGKJNWRIEMPYLH-DTWKUNHWSA-N -1 1 382.251 2.300 20 0 GEADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)o1 ZINC000914230338 654837106 /nfs/dbraw/zinc/83/71/06/654837106.db2.gz TVTYPGUBOJUQET-UHFFFAOYSA-N -1 1 375.349 2.222 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CN1C1CC1 ZINC000914237284 654837767 /nfs/dbraw/zinc/83/77/67/654837767.db2.gz RWINTJJCHISDOR-VHSXEESVSA-N -1 1 380.388 2.194 20 0 GEADMM CC1([N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CCOCC1 ZINC000914283681 654842059 /nfs/dbraw/zinc/84/20/59/654842059.db2.gz YNLBJDUCYAWGKA-QHCPKHFHSA-N -1 1 386.417 2.437 20 0 GEADMM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccc(F)cc1Br)C(F)(F)F ZINC000914304685 654843589 /nfs/dbraw/zinc/84/35/89/654843589.db2.gz FPKOKTCQNPEEME-SNVBAGLBSA-N -1 1 394.184 2.321 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2nnc(C)s2)c1F ZINC000914346417 654847262 /nfs/dbraw/zinc/84/72/62/654847262.db2.gz RTOPLIHROFRMON-UHFFFAOYSA-N -1 1 396.263 2.235 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)CC2(F)CC2)CCN1c1ccccc1C(F)(F)F ZINC000914389178 654850168 /nfs/dbraw/zinc/85/01/68/654850168.db2.gz OYKANBMBFGWMEC-NSHDSACASA-N -1 1 380.363 2.232 20 0 GEADMM O=S(=O)(Cc1ccc(F)cc1Br)[N-]Cc1nnc(C2CC2)o1 ZINC000914395406 654850959 /nfs/dbraw/zinc/85/09/59/654850959.db2.gz ILNLJDKMWDHGED-UHFFFAOYSA-N -1 1 390.234 2.468 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C2(C)C)c1F ZINC000914398662 654851192 /nfs/dbraw/zinc/85/11/92/654851192.db2.gz MVUGLOSRBPDOQF-NXEZZACHSA-N -1 1 382.251 2.035 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c1F ZINC000914401212 654851628 /nfs/dbraw/zinc/85/16/28/654851628.db2.gz FOYFSTAQOJFNBJ-KOLCDFICSA-N -1 1 396.278 2.426 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCOCC(F)F)c1F ZINC000914423731 654853382 /nfs/dbraw/zinc/85/33/82/654853382.db2.gz HJWPFWDOCGOIMI-UHFFFAOYSA-N -1 1 392.193 2.157 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)Cc1ccsc1Br)[C@H]1CCCO1 ZINC000915069477 654862422 /nfs/dbraw/zinc/86/24/22/654862422.db2.gz DOBOZRXDDZVRNI-WDEREUQCSA-N -1 1 384.317 2.124 20 0 GEADMM CC1(C)C[C@](C)([N-]S(=O)(=O)Cc2cccc(F)c2Br)C(=O)O1 ZINC000915919672 654882415 /nfs/dbraw/zinc/88/24/15/654882415.db2.gz ANYSCVOOJXYIFU-AWEZNQCLSA-N -1 1 394.262 2.492 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)CC(C)(C)O)c1F ZINC000916050573 654886014 /nfs/dbraw/zinc/88/60/14/654886014.db2.gz QISBKPZMGFROKI-MRVPVSSYSA-N -1 1 384.267 2.425 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2conc2C)c1F ZINC000916057817 654886178 /nfs/dbraw/zinc/88/61/78/654886178.db2.gz UQMOMUSEUNUOAI-UHFFFAOYSA-N -1 1 379.207 2.372 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC(C)=NO2)c1F ZINC000916073102 654886933 /nfs/dbraw/zinc/88/69/33/654886933.db2.gz MUHXVOXGWSQPJG-QMMMGPOBSA-N -1 1 381.223 2.040 20 0 GEADMM O=C(c1cnc(CCC(F)(F)F)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935457777 654894569 /nfs/dbraw/zinc/89/45/69/654894569.db2.gz ZGXPITPTFVCUAB-SSDOTTSWSA-N -1 1 378.405 2.081 20 0 GEADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000007053672 531536074 /nfs/dbraw/zinc/53/60/74/531536074.db2.gz LZFCQJYFJDBMRP-UHFFFAOYSA-N -1 1 380.369 2.154 20 0 GEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 ZINC000013183340 531558854 /nfs/dbraw/zinc/55/88/54/531558854.db2.gz YLRCKHVMHMKFRS-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(Br)ccc1[O-] ZINC000025290299 531613171 /nfs/dbraw/zinc/61/31/71/531613171.db2.gz JBWSBRNEJKBGLQ-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM CN(CCCn1ccnc1)C(=O)c1cc(I)ccc1[O-] ZINC000155032303 531651285 /nfs/dbraw/zinc/65/12/85/531651285.db2.gz YLPJPLMSIGSAFD-UHFFFAOYSA-N -1 1 385.205 2.356 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)cc1Cl ZINC000032588679 531653820 /nfs/dbraw/zinc/65/38/20/531653820.db2.gz OQVNDZCKEJCMTR-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155567099 531690638 /nfs/dbraw/zinc/69/06/38/531690638.db2.gz IYGDCLFDPJDXJM-IACUBPJLSA-N -1 1 376.258 2.472 20 0 GEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1F ZINC000157452746 531742060 /nfs/dbraw/zinc/74/20/60/531742060.db2.gz JLLJIXOCAHRCMG-SECBINFHSA-N -1 1 375.347 2.195 20 0 GEADMM Cn1cc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1Cl ZINC000158235641 531771162 /nfs/dbraw/zinc/77/11/62/531771162.db2.gz VFVRRSFQPYCWIB-UHFFFAOYSA-N -1 1 383.857 2.063 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055586824 531796297 /nfs/dbraw/zinc/79/62/97/531796297.db2.gz FUGRUCZIVBOQSI-UHFFFAOYSA-N -1 1 384.479 2.021 20 0 GEADMM CCC(CC)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCOCC1 ZINC000058723922 531835657 /nfs/dbraw/zinc/83/56/57/531835657.db2.gz ZUPQSYJQBNCNLR-INIZCTEOSA-N -1 1 376.469 2.380 20 0 GEADMM CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000060341728 531841675 /nfs/dbraw/zinc/84/16/75/531841675.db2.gz RHFGBRZDGVMASJ-UHFFFAOYSA-N -1 1 383.495 2.054 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1 ZINC000064467913 531865755 /nfs/dbraw/zinc/86/57/55/531865755.db2.gz FOSNQBUSDJNTTK-UHFFFAOYSA-N -1 1 390.870 2.058 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000067718042 531888056 /nfs/dbraw/zinc/88/80/56/531888056.db2.gz NJFDMRTVLNMUNY-LBPRGKRZSA-N -1 1 386.470 2.279 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCOc2ccc(Cl)cc2)co1 ZINC000121465675 532030091 /nfs/dbraw/zinc/03/00/91/532030091.db2.gz HQPXKAZVQBPTIS-UHFFFAOYSA-N -1 1 386.857 2.382 20 0 GEADMM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000121644235 532040274 /nfs/dbraw/zinc/04/02/74/532040274.db2.gz BBOMPRJLMUBHRY-UHFFFAOYSA-N -1 1 395.355 2.005 20 0 GEADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC(CO)C1 ZINC000122609046 532076402 /nfs/dbraw/zinc/07/64/02/532076402.db2.gz FUORBUBEVOFJTC-UHFFFAOYSA-N -1 1 380.853 2.205 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000175089168 532089072 /nfs/dbraw/zinc/08/90/72/532089072.db2.gz BNGQYQUKYOBGEC-LBPRGKRZSA-N -1 1 378.885 2.462 20 0 GEADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000123530212 532101056 /nfs/dbraw/zinc/10/10/56/532101056.db2.gz JOOPLWARVAYQLA-CQSZACIVSA-N -1 1 380.853 2.270 20 0 GEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1cccc(Cl)c1F ZINC000123466071 532099654 /nfs/dbraw/zinc/09/96/54/532099654.db2.gz NKPWXWMNJNTSCN-NSHDSACASA-N -1 1 375.830 2.286 20 0 GEADMM C[C@@H](CN(C)C(=O)CCCOc1cccc(Br)c1)c1nn[n-]n1 ZINC000124364359 532119537 /nfs/dbraw/zinc/11/95/37/532119537.db2.gz SLQLUNFZGYVPDJ-NSHDSACASA-N -1 1 382.262 2.383 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)o1 ZINC000124663582 532127168 /nfs/dbraw/zinc/12/71/68/532127168.db2.gz XXTPSPBOJQWJBA-CYBMUJFWSA-N -1 1 384.841 2.135 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCn2ccc3cc(Cl)ccc32)n1 ZINC000124872288 532131199 /nfs/dbraw/zinc/13/11/99/532131199.db2.gz OJYJKVXZASQNAO-UHFFFAOYSA-N -1 1 381.845 2.235 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)CCCn2ccc3cc(Cl)ccc32)[n-]1 ZINC000124872288 532131202 /nfs/dbraw/zinc/13/12/02/532131202.db2.gz OJYJKVXZASQNAO-UHFFFAOYSA-N -1 1 381.845 2.235 20 0 GEADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)ccc1Br ZINC000176677969 532145545 /nfs/dbraw/zinc/14/55/45/532145545.db2.gz GQEBBMFFIIRETE-UHFFFAOYSA-N -1 1 385.239 2.357 20 0 GEADMM CC(C)[C@H](C[N-]S(=O)(=O)c1sccc1Br)N1CCOCC1 ZINC000126438332 532148664 /nfs/dbraw/zinc/14/86/64/532148664.db2.gz ODSCEJYYZZSGEC-LBPRGKRZSA-N -1 1 397.360 2.146 20 0 GEADMM C[C@@]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)(C(N)=O)c1cccc(Cl)c1 ZINC000178601675 532206885 /nfs/dbraw/zinc/20/68/85/532206885.db2.gz ZTGYJGVICUVGHI-HNNXBMFYSA-N -1 1 392.786 2.436 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@H](C(=O)[O-])C1 ZINC000178898191 532217019 /nfs/dbraw/zinc/21/70/19/532217019.db2.gz HWUGALRPAGKWOA-UWVGGRQHSA-N -1 1 388.205 2.025 20 0 GEADMM COc1cccc(C(=O)NCCNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000179391488 532229686 /nfs/dbraw/zinc/22/96/86/532229686.db2.gz KSMLJYRDIKXOBT-UHFFFAOYSA-N -1 1 393.237 2.323 20 0 GEADMM O=C(CCc1cc(F)ccc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000133389068 532233155 /nfs/dbraw/zinc/23/31/55/532233155.db2.gz TWQUXGKZFOUWJE-LLVKDONJSA-N -1 1 382.237 2.440 20 0 GEADMM CCc1nc(CN2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)no1 ZINC000133425103 532234507 /nfs/dbraw/zinc/23/45/07/532234507.db2.gz LXXCSYAFMIANQT-UHFFFAOYSA-N -1 1 395.257 2.058 20 0 GEADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)c([O-])c1 ZINC000133443545 532235127 /nfs/dbraw/zinc/23/51/27/532235127.db2.gz OOUNAXZTCOMGAG-VIFPVBQESA-N -1 1 381.148 2.048 20 0 GEADMM Cc1nc([C@@H]([N-]S(=O)(=O)C[C@@H]2CCOC2)c2ccc(Cl)c(F)c2)no1 ZINC000132757608 532220870 /nfs/dbraw/zinc/22/08/70/532220870.db2.gz GNLJJWTXHLUQQX-YGRLFVJLSA-N -1 1 389.836 2.216 20 0 GEADMM O=S(=O)([N-]C[C@@H](O)COc1ccc(F)c(F)c1)c1c(F)cccc1Cl ZINC000132800414 532221841 /nfs/dbraw/zinc/22/18/41/532221841.db2.gz JJLPPYPHQQYFGA-SECBINFHSA-N -1 1 395.786 2.476 20 0 GEADMM COC(=O)C[C@@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000179143235 532223157 /nfs/dbraw/zinc/22/31/57/532223157.db2.gz YQKDCDNAFOAAHM-JTQLQIEISA-N -1 1 389.189 2.165 20 0 GEADMM O=C(c1ccccn1)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000133074320 532226533 /nfs/dbraw/zinc/22/65/33/532226533.db2.gz JPBBDRMVHZABGD-NSHDSACASA-N -1 1 383.832 2.067 20 0 GEADMM O=C(NCCn1c(=O)[nH]c2ccccc21)c1ccc(Br)c([O-])c1 ZINC000133954084 532246421 /nfs/dbraw/zinc/24/64/21/532246421.db2.gz GRNMQOGGCRNPLM-UHFFFAOYSA-N -1 1 376.210 2.228 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c1F ZINC000180522804 532274669 /nfs/dbraw/zinc/27/46/69/532274669.db2.gz NKYJJKCHJVYLLR-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM CCC[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1nn[n-]n1 ZINC000136630306 532285526 /nfs/dbraw/zinc/28/55/26/532285526.db2.gz STWMDSLZUGJQLN-CYBMUJFWSA-N -1 1 390.245 2.419 20 0 GEADMM O=C(NCCNC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000138398830 532292270 /nfs/dbraw/zinc/29/22/70/532292270.db2.gz ZQEXMJZLJGGKRC-UHFFFAOYSA-N -1 1 381.201 2.454 20 0 GEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000149645656 532300103 /nfs/dbraw/zinc/30/01/03/532300103.db2.gz DHQCYMLQVFKPHX-MRXNPFEDSA-N -1 1 381.523 2.461 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)(C(N)=O)C(C)C ZINC000181530279 532300958 /nfs/dbraw/zinc/30/09/58/532300958.db2.gz JVLLSHAGFXPSGM-ZDUSSCGKSA-N -1 1 399.257 2.296 20 0 GEADMM C[C@@H](CN(C)C(=O)c1ccn(-c2cccc(Br)c2)n1)c1nn[n-]n1 ZINC000183413749 532324420 /nfs/dbraw/zinc/32/44/20/532324420.db2.gz KWCLOIKIFXQHMA-JTQLQIEISA-N -1 1 390.245 2.024 20 0 GEADMM Cc1cc(Br)ccc1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000183013775 532321075 /nfs/dbraw/zinc/32/10/75/532321075.db2.gz UNYQXYOSNADGLR-UHFFFAOYSA-N -1 1 399.266 2.292 20 0 GEADMM CCn1cc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)cc1C(=O)[O-] ZINC000185052712 532336771 /nfs/dbraw/zinc/33/67/71/532336771.db2.gz MKRGYXWFYYCBJB-UHFFFAOYSA-N -1 1 385.511 2.020 20 0 GEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2CCN3S(C)(=O)=O)c1 ZINC000184676493 532334405 /nfs/dbraw/zinc/33/44/05/532334405.db2.gz ZRIMMTIKRUVTOR-UHFFFAOYSA-N -1 1 380.491 2.426 20 0 GEADMM O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(Br)cc1[O-] ZINC000185029402 532336600 /nfs/dbraw/zinc/33/66/00/532336600.db2.gz UIIADJCAVJFDIE-CQSZACIVSA-N -1 1 390.237 2.475 20 0 GEADMM Cc1ccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1Br ZINC000188687055 532349205 /nfs/dbraw/zinc/34/92/05/532349205.db2.gz OTEROALDFYDXQK-UHFFFAOYSA-N -1 1 399.266 2.292 20 0 GEADMM Cc1ccn(C)c(=O)c1NC(=O)c1cc(I)ccc1[O-] ZINC000189152580 532351055 /nfs/dbraw/zinc/35/10/55/532351055.db2.gz JJOCKRMQKCIMFK-UHFFFAOYSA-N -1 1 384.173 2.256 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)OC ZINC000190841752 532358334 /nfs/dbraw/zinc/35/83/34/532358334.db2.gz CYHROYQTWWZQAG-VIFPVBQESA-N -1 1 388.642 2.472 20 0 GEADMM COC(=O)c1c[n-]c(SCC(=O)N(Cc2ccco2)CC(F)(F)F)n1 ZINC000187585475 532345028 /nfs/dbraw/zinc/34/50/28/532345028.db2.gz URHORLGLIQYDLC-UHFFFAOYSA-N -1 1 377.344 2.473 20 0 GEADMM CCC[C@H](NC(=O)Cc1ccc(I)cc1)c1nn[n-]n1 ZINC000191501965 532361218 /nfs/dbraw/zinc/36/12/18/532361218.db2.gz SADHGDAOMPIYNN-NSHDSACASA-N -1 1 385.209 2.004 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CS(C)(=O)=O)c2ccccc2)c(F)c1 ZINC000425172166 532368059 /nfs/dbraw/zinc/36/80/59/532368059.db2.gz XWLJALXQQSRHAL-HNNXBMFYSA-N -1 1 389.445 2.337 20 0 GEADMM CS(=O)(=O)CCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000425176569 532368538 /nfs/dbraw/zinc/36/85/38/532368538.db2.gz AVNQDPFWFUZZFM-UHFFFAOYSA-N -1 1 378.274 2.236 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000677238894 532369328 /nfs/dbraw/zinc/36/93/28/532369328.db2.gz HSMXNJDYUHFGDE-QMMMGPOBSA-N -1 1 381.242 2.242 20 0 GEADMM Cc1cccc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)c1Br ZINC000516198981 532381898 /nfs/dbraw/zinc/38/18/98/532381898.db2.gz IBSBKGUMUYESML-UHFFFAOYSA-N -1 1 381.255 2.214 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)co1 ZINC000278884574 532387091 /nfs/dbraw/zinc/38/70/91/532387091.db2.gz HEFCHSUSJLPPTP-AWEZNQCLSA-N -1 1 386.857 2.301 20 0 GEADMM C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2[O-])CCN1CC(C)(C)O ZINC000294904706 532389180 /nfs/dbraw/zinc/38/91/80/532389180.db2.gz AWUNLUWRHBRUPY-SNVBAGLBSA-N -1 1 389.265 2.211 20 0 GEADMM Cn1ncc2c1CCCN(C(=O)c1cc(I)ccc1[O-])C2 ZINC000591087680 532398650 /nfs/dbraw/zinc/39/86/50/532398650.db2.gz HYYNIFRODKQRRS-UHFFFAOYSA-N -1 1 397.216 2.319 20 0 GEADMM Cc1csc(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000648442657 532396762 /nfs/dbraw/zinc/39/67/62/532396762.db2.gz WQPIMLKWLKKKSV-UHFFFAOYSA-N -1 1 394.305 2.353 20 0 GEADMM CC(C)c1nnc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000464745658 532402999 /nfs/dbraw/zinc/40/29/99/532402999.db2.gz YOSHYGCLXHIJQA-UHFFFAOYSA-N -1 1 386.499 2.261 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1N1CCOCC1)c1c(F)cccc1Cl ZINC000372808367 532411924 /nfs/dbraw/zinc/41/19/24/532411924.db2.gz XOWLZOFBMNFCSI-WFASDCNBSA-N -1 1 376.881 2.258 20 0 GEADMM O=C(CCc1cccc(F)c1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000649217282 532417767 /nfs/dbraw/zinc/41/77/67/532417767.db2.gz UDHJMWMYIXUXCR-NSHDSACASA-N -1 1 382.237 2.440 20 0 GEADMM CS(=O)(=O)NC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCCCC1 ZINC000680973946 532420787 /nfs/dbraw/zinc/42/07/87/532420787.db2.gz XLDHULWDKNZKRB-UHFFFAOYSA-N -1 1 398.909 2.010 20 0 GEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cn1cncn1 ZINC000591681238 532419874 /nfs/dbraw/zinc/41/98/74/532419874.db2.gz AFYUUSRFIYHVTN-UHFFFAOYSA-N -1 1 378.435 2.195 20 0 GEADMM O=S(=O)(CCOCC1CC1)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625371242 532421209 /nfs/dbraw/zinc/42/12/09/532421209.db2.gz OVGWDQSIYZWYSL-UKRRQHHQSA-N -1 1 379.400 2.267 20 0 GEADMM C[C@H](CN(C)C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nn[n-]n1 ZINC000281677009 532430421 /nfs/dbraw/zinc/43/04/21/532430421.db2.gz UEXHKKVNUYIGEO-SECBINFHSA-N -1 1 377.499 2.347 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)o1 ZINC000518090170 532436302 /nfs/dbraw/zinc/43/63/02/532436302.db2.gz OZHUMKDWKTZVDX-UHFFFAOYSA-N -1 1 379.312 2.443 20 0 GEADMM CO[C@H](C)CS(=O)(=O)[N-]c1cnc(Br)c(Br)c1 ZINC000295360984 532438279 /nfs/dbraw/zinc/43/82/79/532438279.db2.gz ROHVNEOHBHDZLP-ZCFIWIBFSA-N -1 1 388.081 2.383 20 0 GEADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cnc(Br)c(Br)c1 ZINC000295360981 532439280 /nfs/dbraw/zinc/43/92/80/532439280.db2.gz ROHVNEOHBHDZLP-LURJTMIESA-N -1 1 388.081 2.383 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)o1 ZINC000518614785 532444266 /nfs/dbraw/zinc/44/42/66/532444266.db2.gz XDDWAMNUCBFAKI-RYUDHWBXSA-N -1 1 399.266 2.236 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC000561540137 532444777 /nfs/dbraw/zinc/44/47/77/532444777.db2.gz AYLSWWICXTUGAZ-JTQLQIEISA-N -1 1 386.214 2.065 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC=C(Br)C1 ZINC000282137911 532445332 /nfs/dbraw/zinc/44/53/32/532445332.db2.gz BUXOTOANMKBUDR-UHFFFAOYSA-N -1 1 379.258 2.495 20 0 GEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000682157971 532441676 /nfs/dbraw/zinc/44/16/76/532441676.db2.gz ACTLBVCBMMSMFI-UHFFFAOYSA-N -1 1 387.303 2.234 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CSC)c2)c1 ZINC000518833486 532447058 /nfs/dbraw/zinc/44/70/58/532447058.db2.gz WACUNFLMQPKGQS-UHFFFAOYSA-N -1 1 386.520 2.259 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000428416363 532452563 /nfs/dbraw/zinc/45/25/63/532452563.db2.gz AFPFNSXHKYTEMZ-CYBMUJFWSA-N -1 1 386.832 2.327 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1nc(-c2ccc(F)cc2)no1 ZINC000373727273 532465647 /nfs/dbraw/zinc/46/56/47/532465647.db2.gz LWDJKPFPDGHBLS-MRVPVSSYSA-N -1 1 385.808 2.302 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)co1 ZINC000468540012 532466790 /nfs/dbraw/zinc/46/67/90/532466790.db2.gz GNHOSKAXIVGLTO-UHFFFAOYSA-N -1 1 382.282 2.145 20 0 GEADMM O=S(=O)([N-]Cc1cccnc1-n1cccn1)c1ccc(Cl)nc1Cl ZINC000195139844 532471760 /nfs/dbraw/zinc/47/17/60/532471760.db2.gz VVBQUXQBBJLKRB-UHFFFAOYSA-N -1 1 384.248 2.448 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000468847262 532477849 /nfs/dbraw/zinc/47/78/49/532477849.db2.gz GITQLOCEYDEDNO-HNNXBMFYSA-N -1 1 383.447 2.102 20 0 GEADMM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000195475947 532478527 /nfs/dbraw/zinc/47/85/27/532478527.db2.gz AUHOKFYWWLWTGZ-KSBSHMNSSA-N -1 1 399.669 2.045 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)sc1C)c1ccc2c(c1)CCO2 ZINC000468898007 532480109 /nfs/dbraw/zinc/48/01/09/532480109.db2.gz JPADSPQQKOEXLB-INIZCTEOSA-N -1 1 381.475 2.492 20 0 GEADMM O=S(=O)([N-]CCN1C[C@H]2CC[C@@H](C1)O2)c1c(Cl)cc(F)cc1Cl ZINC000562732948 532480251 /nfs/dbraw/zinc/48/02/51/532480251.db2.gz MHRNJTVPSULXNF-PHIMTYICSA-N -1 1 383.272 2.274 20 0 GEADMM CCC[C@@](C)(NC(=O)c1cc(I)ccc1[O-])C(=O)OC ZINC000221627219 532485088 /nfs/dbraw/zinc/48/50/88/532485088.db2.gz KTGZCNNABRXXTL-CQSZACIVSA-N -1 1 391.205 2.458 20 0 GEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)c1 ZINC000469006810 532485931 /nfs/dbraw/zinc/48/59/31/532485931.db2.gz QKPJNAYBHJMJLE-UHFFFAOYSA-N -1 1 385.438 2.374 20 0 GEADMM O=C(NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc([O-])c(F)c1 ZINC000684986464 532488999 /nfs/dbraw/zinc/48/89/99/532488999.db2.gz ZRXBSCOVKFIFDJ-UHFFFAOYSA-N -1 1 386.832 2.283 20 0 GEADMM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1CCOC1CCOCC1 ZINC000629363141 532489105 /nfs/dbraw/zinc/48/91/05/532489105.db2.gz AZTVVJQYAFIDBX-MRXNPFEDSA-N -1 1 384.270 2.456 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)o1 ZINC000374097001 532489386 /nfs/dbraw/zinc/48/93/86/532489386.db2.gz LGMFWGUOOGAKQO-JTQLQIEISA-N -1 1 390.870 2.116 20 0 GEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Br)c1F)C(F)(F)F ZINC000282730431 532490853 /nfs/dbraw/zinc/49/08/53/532490853.db2.gz UXAGEJWJIUHREE-SECBINFHSA-N -1 1 380.157 2.180 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CC(=O)N(CCC(F)(F)F)C1 ZINC000296020746 532494142 /nfs/dbraw/zinc/49/41/42/532494142.db2.gz UVLMWBCNLPNUHE-UHFFFAOYSA-N -1 1 381.148 2.349 20 0 GEADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000469213751 532495227 /nfs/dbraw/zinc/49/52/27/532495227.db2.gz XMFNWENYPXAPSU-GXTWGEPZSA-N -1 1 388.917 2.269 20 0 GEADMM CC(C)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000520558514 532495200 /nfs/dbraw/zinc/49/52/00/532495200.db2.gz MFLPKQFQXBNPFP-CYBMUJFWSA-N -1 1 395.308 2.155 20 0 GEADMM O=S(=O)([N-]C[C@@H]1C[C@H](F)CN1c1cccnn1)c1cccc(Cl)c1F ZINC000374446844 532503911 /nfs/dbraw/zinc/50/39/11/532503911.db2.gz NSDPKIFFDHAPIF-QWRGUYRKSA-N -1 1 388.827 2.164 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)c1F ZINC000594455780 532506997 /nfs/dbraw/zinc/50/69/97/532506997.db2.gz KEUFPGRRFGMYEM-ZDUSSCGKSA-N -1 1 393.864 2.485 20 0 GEADMM O=C([O-])c1ccc(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000652383283 532509947 /nfs/dbraw/zinc/50/99/47/532509947.db2.gz KOFZYPDLAKLFNJ-UHFFFAOYSA-N -1 1 380.491 2.389 20 0 GEADMM COc1cc(Br)ccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630222685 532510175 /nfs/dbraw/zinc/51/01/75/532510175.db2.gz HXVRBSMDTLGLGG-NSHDSACASA-N -1 1 385.258 2.079 20 0 GEADMM C[C@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccc(Br)s1 ZINC000283016864 532513010 /nfs/dbraw/zinc/51/30/10/532513010.db2.gz WYHCPPVKUSQLPG-IUCAKERBSA-N -1 1 385.287 2.432 20 0 GEADMM O=C([N-]c1cccc2nonc21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000283042999 532516133 /nfs/dbraw/zinc/51/61/33/532516133.db2.gz ZNOHOQQJTDGPOX-UHFFFAOYSA-N -1 1 378.435 2.321 20 0 GEADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccon1 ZINC000685809151 532497563 /nfs/dbraw/zinc/49/75/63/532497563.db2.gz QEAIRQMQIBSCDV-QMMMGPOBSA-N -1 1 378.237 2.137 20 0 GEADMM CCN(Cc1cn(C)nn1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000685821975 532497848 /nfs/dbraw/zinc/49/78/48/532497848.db2.gz GXPHZDAKMOGWBI-UHFFFAOYSA-N -1 1 390.241 2.494 20 0 GEADMM CN1CC[C@@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1=O ZINC000685831004 532497907 /nfs/dbraw/zinc/49/79/07/532497907.db2.gz NFCLRPJBLMJXPW-SECBINFHSA-N -1 1 378.226 2.054 20 0 GEADMM COC1(CO)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000685837269 532500243 /nfs/dbraw/zinc/50/02/43/532500243.db2.gz GYZZNIIJWDFPRZ-UHFFFAOYSA-N -1 1 395.253 2.316 20 0 GEADMM O=C1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H](C2CC2)N1 ZINC000375179760 532540001 /nfs/dbraw/zinc/54/00/01/532540001.db2.gz HUIPIYYORYWNNC-AAEUAGOBSA-N -1 1 381.256 2.468 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000471112854 532542488 /nfs/dbraw/zinc/54/24/88/532542488.db2.gz MBKVEMYAMOUXRX-UHFFFAOYSA-N -1 1 383.447 2.052 20 0 GEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)C(F)(F)F ZINC000594699995 532520791 /nfs/dbraw/zinc/52/07/91/532520791.db2.gz OPHNLSGWZMVGRL-SECBINFHSA-N -1 1 394.293 2.263 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OC(C)(C)C ZINC000594764345 532524368 /nfs/dbraw/zinc/52/43/68/532524368.db2.gz KSZMPXDNHCYUON-SNVBAGLBSA-N -1 1 379.276 2.243 20 0 GEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1Cl ZINC000432196526 532528751 /nfs/dbraw/zinc/52/87/51/532528751.db2.gz QNWLGNQSQVZOCE-UHFFFAOYSA-N -1 1 377.809 2.081 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1c(Cl)ccnc1Cl ZINC000283281973 532529603 /nfs/dbraw/zinc/52/96/03/532529603.db2.gz UIXAQUGTOZDNIA-ZWNOBZJWSA-N -1 1 395.308 2.234 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)COc2c(F)cccc2F)c1 ZINC000594839115 532532694 /nfs/dbraw/zinc/53/26/94/532532694.db2.gz BIDIZDAWXSSBMV-VIFPVBQESA-N -1 1 375.349 2.090 20 0 GEADMM COCC[C@@H](C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1Br ZINC000594842710 532533129 /nfs/dbraw/zinc/53/31/29/532533129.db2.gz GUCGTRWMMTZCMM-ZWNOBZJWSA-N -1 1 394.287 2.008 20 0 GEADMM CCc1nc(CNS(=O)(=O)c2cc(Br)c(F)cc2C)n[nH]1 ZINC000297033121 532562346 /nfs/dbraw/zinc/56/23/46/532562346.db2.gz LCXRNIBLTUSIGN-UHFFFAOYSA-N -1 1 377.239 2.056 20 0 GEADMM COC[C@]1(C(=O)[O-])CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000565487550 532566547 /nfs/dbraw/zinc/56/65/47/532566547.db2.gz XNWAIYGXKVJDQM-INIZCTEOSA-N -1 1 386.242 2.491 20 0 GEADMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433434553 532569277 /nfs/dbraw/zinc/56/92/77/532569277.db2.gz PIUJJFWVISXZOB-RXMQYKEDSA-N -1 1 376.681 2.251 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000473325093 532588890 /nfs/dbraw/zinc/58/88/90/532588890.db2.gz LIGPJPUXZBRJFU-UHFFFAOYSA-N -1 1 396.241 2.367 20 0 GEADMM Cn1cc(Br)cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1=O ZINC000433506067 532571187 /nfs/dbraw/zinc/57/11/87/532571187.db2.gz DKAVJGASAKYOFH-UHFFFAOYSA-N -1 1 397.172 2.366 20 0 GEADMM CO[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccccc1Br ZINC000654944459 532575492 /nfs/dbraw/zinc/57/54/92/532575492.db2.gz VFHGOUKYPIPPDY-GWCFXTLKSA-N -1 1 380.246 2.056 20 0 GEADMM C[S@@](=O)CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433659906 532577067 /nfs/dbraw/zinc/57/70/67/532577067.db2.gz MXTNPWBSHOUWSM-MRXNPFEDSA-N -1 1 380.738 2.211 20 0 GEADMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(Br)ccc1[O-] ZINC000655195102 532578497 /nfs/dbraw/zinc/57/84/97/532578497.db2.gz IBIOFJQAKOIXRX-NSHDSACASA-N -1 1 386.164 2.167 20 0 GEADMM CCOc1cc(C(=O)N(CCOC)C[C@H](O)C(F)(F)F)cc(Cl)c1[O-] ZINC000655195191 532579274 /nfs/dbraw/zinc/57/92/74/532579274.db2.gz QZFQMHNDQBMBBO-LBPRGKRZSA-N -1 1 385.766 2.456 20 0 GEADMM O=C([O-])[C@@H](C(=O)Nc1nc2ccc(I)cc2[nH]1)C1CC1 ZINC000596000155 532581352 /nfs/dbraw/zinc/58/13/52/532581352.db2.gz QWRVXJZWVNTSSK-SNVBAGLBSA-N -1 1 385.161 2.217 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1cccnc1 ZINC000435427544 532617602 /nfs/dbraw/zinc/61/76/02/532617602.db2.gz NLDYKSSUHSDBCC-UHFFFAOYSA-N -1 1 392.239 2.236 20 0 GEADMM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc2c1OCCO2 ZINC000655661197 532599241 /nfs/dbraw/zinc/59/92/41/532599241.db2.gz BSUWSLRGCHDOGW-GXFFZTMASA-N -1 1 381.372 2.236 20 0 GEADMM O=S(=O)(c1cccs1)N1CC[C@@H](CN=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000376201950 532600939 /nfs/dbraw/zinc/60/09/39/532600939.db2.gz YZZHTJNSGKCROH-QMMMGPOBSA-N -1 1 398.457 2.163 20 0 GEADMM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1=O ZINC000473856443 532601004 /nfs/dbraw/zinc/60/10/04/532601004.db2.gz VLNUYMWYDCZNJO-WEDXCCLWSA-N -1 1 381.256 2.420 20 0 GEADMM O=C(N1CCCC1)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000632330595 532602748 /nfs/dbraw/zinc/60/27/48/532602748.db2.gz SYNIZKNRZKIHPX-NSHDSACASA-N -1 1 377.413 2.176 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cccc3cccnc32)sc1C ZINC000435220719 532610757 /nfs/dbraw/zinc/61/07/57/532610757.db2.gz RSDUFANZVZKRNH-UHFFFAOYSA-N -1 1 376.463 2.225 20 0 GEADMM 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CO[C@H]([C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000412387914 532790157 /nfs/dbraw/zinc/79/01/57/532790157.db2.gz BXXZBOUGRQNXND-YMTOWFKASA-N -1 1 395.308 2.201 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)cc1Cl ZINC000327711227 532792573 /nfs/dbraw/zinc/79/25/73/532792573.db2.gz DCVLSIPXKUANIL-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(I)ccc1[O-] ZINC000328061996 532793938 /nfs/dbraw/zinc/79/39/38/532793938.db2.gz BPQBMTAFLQFEBW-XPTSAGLGSA-N -1 1 375.206 2.278 20 0 GEADMM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)C(C)C ZINC000412715782 532799285 /nfs/dbraw/zinc/79/92/85/532799285.db2.gz PXIZYEMJZBDIMZ-OCCSQVGLSA-N -1 1 397.324 2.183 20 0 GEADMM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000271957501 532812631 /nfs/dbraw/zinc/81/26/31/532812631.db2.gz QILYBCWIVRROER-UHFFFAOYSA-N -1 1 382.463 2.041 20 0 GEADMM CC(C)(C)[C@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000330508251 532820127 /nfs/dbraw/zinc/82/01/27/532820127.db2.gz IOJWTMZOXJZJOR-IONNQARKSA-N -1 1 376.327 2.491 20 0 GEADMM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000288309832 532824299 /nfs/dbraw/zinc/82/42/99/532824299.db2.gz HOMFYHDIBCRMDH-JTQLQIEISA-N -1 1 381.767 2.139 20 0 GEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C[C@@H](C)O1 ZINC000330799318 532827017 /nfs/dbraw/zinc/82/70/17/532827017.db2.gz BTQWCVORSIFQDR-GHMZBOCLSA-N -1 1 395.319 2.208 20 0 GEADMM Cc1c(=O)[n-]c(SCC(=O)N[C@H]2CCSC2=O)nc1-c1ccccc1 ZINC000274326956 532847981 /nfs/dbraw/zinc/84/79/81/532847981.db2.gz KCKPKFMBPRXNOA-LBPRGKRZSA-N -1 1 375.475 2.398 20 0 GEADMM COc1ccc(NCc2ncc(C3OCCO3)s2)cc1[N-]S(C)(=O)=O ZINC000289209700 532850192 /nfs/dbraw/zinc/85/01/92/532850192.db2.gz IKKIBHOUFWUBGR-UHFFFAOYSA-N -1 1 385.467 2.181 20 0 GEADMM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000332277421 532851260 /nfs/dbraw/zinc/85/12/60/532851260.db2.gz QRHKJQUATVVAKT-LLVKDONJSA-N -1 1 376.272 2.194 20 0 GEADMM CCOCCCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289424661 532854837 /nfs/dbraw/zinc/85/48/37/532854837.db2.gz BYLBGXYDVNTXJD-UHFFFAOYSA-N -1 1 383.297 2.205 20 0 GEADMM CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289492260 532856847 /nfs/dbraw/zinc/85/68/47/532856847.db2.gz JPPOGOHOSJVBQQ-SNVBAGLBSA-N -1 1 375.397 2.156 20 0 GEADMM COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289567235 532859086 /nfs/dbraw/zinc/85/90/86/532859086.db2.gz YFIROQZDGINVBH-ZDUSSCGKSA-N -1 1 385.251 2.499 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)s1 ZINC000289591245 532860008 /nfs/dbraw/zinc/86/00/08/532860008.db2.gz QWVSPVJGNRWRNA-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000274969979 532860540 /nfs/dbraw/zinc/86/05/40/532860540.db2.gz KFROKXUETRNBGH-LBPRGKRZSA-N -1 1 381.281 2.211 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)s1 ZINC000289613798 532860491 /nfs/dbraw/zinc/86/04/91/532860491.db2.gz SJIKWCBSZHFRHT-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM O=C(NCCC1CCS(=O)(=O)CC1)c1ccc(Br)cc1[O-] ZINC000333065012 532863657 /nfs/dbraw/zinc/86/36/57/532863657.db2.gz NSVHPNNGSCTQCL-UHFFFAOYSA-N -1 1 376.272 2.099 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000416192153 532866252 /nfs/dbraw/zinc/86/62/52/532866252.db2.gz PYKATDKRMMYPPQ-UHFFFAOYSA-N -1 1 394.225 2.166 20 0 GEADMM O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1sccc1Br ZINC000275194769 532868562 /nfs/dbraw/zinc/86/85/62/532868562.db2.gz FXTMRFLFLQACRW-RXMQYKEDSA-N -1 1 382.179 2.195 20 0 GEADMM CCOc1cc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1[O-] ZINC000333917758 532875648 /nfs/dbraw/zinc/87/56/48/532875648.db2.gz CCTMKHFAPWDPHG-QGZVFWFLSA-N -1 1 387.885 2.485 20 0 GEADMM CCOC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000290248690 532876551 /nfs/dbraw/zinc/87/65/51/532876551.db2.gz BEQBHHZONFBUKA-NSHDSACASA-N -1 1 395.308 2.157 20 0 GEADMM CCN(C1CCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349475197 532881609 /nfs/dbraw/zinc/88/16/09/532881609.db2.gz LYUYIJMRQXGYMV-UHFFFAOYSA-N -1 1 395.934 2.071 20 0 GEADMM C[C@H]1CC[C@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)CC1 ZINC000349560327 532882917 /nfs/dbraw/zinc/88/29/17/532882917.db2.gz BBSRKZVEOADCLP-SHTZXODSSA-N -1 1 389.543 2.102 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCCCCC2)c1 ZINC000349598318 532883344 /nfs/dbraw/zinc/88/33/44/532883344.db2.gz DOWDQZKRLOIEEO-UHFFFAOYSA-N -1 1 389.543 2.164 20 0 GEADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCCO1 ZINC000290400547 532880207 /nfs/dbraw/zinc/88/02/07/532880207.db2.gz LLKBCRJLPIVKQH-ZWNOBZJWSA-N -1 1 395.308 2.346 20 0 GEADMM CCOC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290644012 532885835 /nfs/dbraw/zinc/88/58/35/532885835.db2.gz DUCCDJBZCLDSAY-UHFFFAOYSA-N -1 1 383.297 2.203 20 0 GEADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 ZINC000290638355 532885842 /nfs/dbraw/zinc/88/58/42/532885842.db2.gz YNCCCIVADFJGLE-SNVBAGLBSA-N -1 1 395.308 2.203 20 0 GEADMM COC(=O)CCCONC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000290683531 532886830 /nfs/dbraw/zinc/88/68/30/532886830.db2.gz PICPDJDJDKLUPC-UHFFFAOYSA-N -1 1 383.198 2.318 20 0 GEADMM O=S(=O)(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000360229959 532889659 /nfs/dbraw/zinc/88/96/59/532889659.db2.gz LIXIUUMZZHQLTK-WFASDCNBSA-N -1 1 376.881 2.258 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@]2(CNC(=O)C2)C1 ZINC000290891909 532891745 /nfs/dbraw/zinc/89/17/45/532891745.db2.gz MZOAZCJTBGLXGI-KRWDZBQOSA-N -1 1 390.237 2.055 20 0 GEADMM CNC(=O)[C@@]1(C)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290931374 532893408 /nfs/dbraw/zinc/89/34/08/532893408.db2.gz SAWONBPSUMTOCT-KRWDZBQOSA-N -1 1 392.253 2.301 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cncc(Cl)n2)c1 ZINC000276629664 532898909 /nfs/dbraw/zinc/89/89/09/532898909.db2.gz PDSIGCIIAWQHAX-UHFFFAOYSA-N -1 1 384.845 2.118 20 0 GEADMM NC(=O)[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000291478087 532902500 /nfs/dbraw/zinc/90/25/00/532902500.db2.gz QLFNWLNXVNCSNK-VIFPVBQESA-N -1 1 378.226 2.040 20 0 GEADMM C[C@H](CN(C)C(=O)c1nc2ccccc2cc1Br)c1nn[n-]n1 ZINC000291695112 532907485 /nfs/dbraw/zinc/90/74/85/532907485.db2.gz OIPMRLDLJMRTHH-SECBINFHSA-N -1 1 375.230 2.386 20 0 GEADMM C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1n[nH]c(=S)s1 ZINC000365822145 532912221 /nfs/dbraw/zinc/91/22/21/532912221.db2.gz URTSHLIEGZLGGC-WCQYABFASA-N -1 1 395.579 2.341 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)c1cnn(C)c1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000292315386 532915218 /nfs/dbraw/zinc/91/52/18/532915218.db2.gz NNPUMUHAJLZNPV-INIZCTEOSA-N -1 1 385.873 2.139 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cn2)C1)C(F)(F)F ZINC000292407122 532915950 /nfs/dbraw/zinc/91/59/50/532915950.db2.gz NEHFNSSPQPRVIG-JTQLQIEISA-N -1 1 378.782 2.335 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@H](O)c2ccccc2Cl)C1)C(F)(F)F ZINC000292123606 532913406 /nfs/dbraw/zinc/91/34/06/532913406.db2.gz RPDZOZWCPCAPGO-ZWNOBZJWSA-N -1 1 378.778 2.291 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)CCCNC(=O)OC(C)(C)C)c1Cl ZINC000293074873 532921544 /nfs/dbraw/zinc/92/15/44/532921544.db2.gz ULGVUNTYLXVCFN-UHFFFAOYSA-N -1 1 394.925 2.435 20 0 GEADMM Nc1nccc([C@H]2CCCN(C(=O)c3cc(Br)ccc3[O-])C2)n1 ZINC000367120664 532922685 /nfs/dbraw/zinc/92/26/85/532922685.db2.gz HDLBMCBQHLFLHL-JTQLQIEISA-N -1 1 377.242 2.547 20 0 GEADMM O=C(CCOc1ccccc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000367117969 532922831 /nfs/dbraw/zinc/92/28/31/532922831.db2.gz VZFUSPZWEWTVRQ-NSHDSACASA-N -1 1 380.246 2.137 20 0 GEADMM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)C2)cn1 ZINC000370341884 532942888 /nfs/dbraw/zinc/94/28/88/532942888.db2.gz ILLUWRKPNAAJRR-SNVBAGLBSA-N -1 1 390.296 2.069 20 0 GEADMM CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000370707136 532944908 /nfs/dbraw/zinc/94/49/08/532944908.db2.gz DNHRRQKEEIRRJK-JSGCOSHPSA-N -1 1 395.579 2.465 20 0 GEADMM Cn1cc([C@@H]2[C@H](CNS(=O)(=O)c3ccc(Cl)s3)CCC[N@H+]2C)cn1 ZINC000371738502 532949478 /nfs/dbraw/zinc/94/94/78/532949478.db2.gz DMKTYHNLWHJOKK-NHYWBVRUSA-N -1 1 388.946 2.496 20 0 GEADMM COC1CCN(C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC000631922269 450595690 /nfs/dbraw/zinc/59/56/90/450595690.db2.gz RBOBMCZKQUMZFG-UHFFFAOYSA-N -1 1 376.906 2.213 20 0 GEADMM C[C@@H](C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)n1cncn1 ZINC000735546338 598833459 /nfs/dbraw/zinc/83/34/59/598833459.db2.gz ADNGVPBXAOALEN-NSHDSACASA-N -1 1 380.437 2.064 20 0 GEADMM CCOCCOCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736623489 598833538 /nfs/dbraw/zinc/83/35/38/598833538.db2.gz HWTZZAQGIWOZAB-UHFFFAOYSA-N -1 1 387.465 2.265 20 0 GEADMM CCOC(=O)CCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736592111 598842206 /nfs/dbraw/zinc/84/22/06/598842206.db2.gz MNMKVMRYNFISEV-UHFFFAOYSA-N -1 1 391.453 2.361 20 0 GEADMM CCOC(=O)CCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736592111 598842208 /nfs/dbraw/zinc/84/22/08/598842208.db2.gz MNMKVMRYNFISEV-UHFFFAOYSA-N -1 1 391.453 2.361 20 0 GEADMM CCN(c1cccc(OC)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736564502 598843527 /nfs/dbraw/zinc/84/35/27/598843527.db2.gz HBEPMVFUGJZCEJ-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CCN(c1cccc(OC)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736564502 598843528 /nfs/dbraw/zinc/84/35/28/598843528.db2.gz HBEPMVFUGJZCEJ-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1cccnc1 ZINC000737488158 598844305 /nfs/dbraw/zinc/84/43/05/598844305.db2.gz POTZSIGWHKXYCG-ZDUSSCGKSA-N -1 1 392.423 2.158 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1cccnc1 ZINC000737488158 598844306 /nfs/dbraw/zinc/84/43/06/598844306.db2.gz POTZSIGWHKXYCG-ZDUSSCGKSA-N -1 1 392.423 2.158 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nnc(C(C)C)s1 ZINC000737200399 598860968 /nfs/dbraw/zinc/86/09/68/598860968.db2.gz MCEKAVZQGBMCPF-UHFFFAOYSA-N -1 1 388.457 2.130 20 0 GEADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737118392 598867223 /nfs/dbraw/zinc/86/72/23/598867223.db2.gz DOSJECBHSWXJMQ-UHFFFAOYSA-N -1 1 391.840 2.280 20 0 GEADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737118392 598867224 /nfs/dbraw/zinc/86/72/24/598867224.db2.gz DOSJECBHSWXJMQ-UHFFFAOYSA-N -1 1 391.840 2.280 20 0 GEADMM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)ccc1C(=O)[O-] ZINC000737279388 598867802 /nfs/dbraw/zinc/86/78/02/598867802.db2.gz BNCHUCZOXJPSQV-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CCn1cc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cn1 ZINC000736723468 598868796 /nfs/dbraw/zinc/86/87/96/598868796.db2.gz WTVIZSKNVKFUBG-UHFFFAOYSA-N -1 1 380.412 2.047 20 0 GEADMM CCn1cc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cn1 ZINC000736723468 598868798 /nfs/dbraw/zinc/86/87/98/598868798.db2.gz WTVIZSKNVKFUBG-UHFFFAOYSA-N -1 1 380.412 2.047 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2ccccc2C1 ZINC000738355595 598873484 /nfs/dbraw/zinc/87/34/84/598873484.db2.gz QWMQQPHKOUOSSU-UHFFFAOYSA-N -1 1 375.841 2.267 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2ccccc2C1 ZINC000738355595 598873486 /nfs/dbraw/zinc/87/34/86/598873486.db2.gz QWMQQPHKOUOSSU-UHFFFAOYSA-N -1 1 375.841 2.267 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCc2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000737186924 598892191 /nfs/dbraw/zinc/89/21/91/598892191.db2.gz LSGKLKZSEFYNQM-UHFFFAOYSA-N -1 1 396.432 2.408 20 0 GEADMM Cc1nonc1C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000737281410 598893897 /nfs/dbraw/zinc/89/38/97/598893897.db2.gz XTKARXVEIVLKAR-UHFFFAOYSA-N -1 1 378.352 2.306 20 0 GEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1C ZINC000735487937 598946523 /nfs/dbraw/zinc/94/65/23/598946523.db2.gz CEXLOGGHBIGUQT-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000737224808 598947241 /nfs/dbraw/zinc/94/72/41/598947241.db2.gz HCMPNLFLVDYFIH-UHFFFAOYSA-N -1 1 387.421 2.137 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC000737188837 598953365 /nfs/dbraw/zinc/95/33/65/598953365.db2.gz HLUWKGODXZDUEA-SMDDNHRTSA-N -1 1 388.497 2.142 20 0 GEADMM CCOC(=O)N[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)CC(C)C ZINC000736601023 598957907 /nfs/dbraw/zinc/95/79/07/598957907.db2.gz QNWXCUAHPZUPCY-LBPRGKRZSA-N -1 1 384.444 2.383 20 0 GEADMM CCOC(=O)N[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)CC(C)C ZINC000736601023 598957908 /nfs/dbraw/zinc/95/79/08/598957908.db2.gz QNWXCUAHPZUPCY-LBPRGKRZSA-N -1 1 384.444 2.383 20 0 GEADMM CCCCN(C)C(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736450608 598959973 /nfs/dbraw/zinc/95/99/73/598959973.db2.gz AYOSZAZEMBMQAG-UHFFFAOYSA-N -1 1 394.483 2.285 20 0 GEADMM CCCCN(C)C(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736450608 598959974 /nfs/dbraw/zinc/95/99/74/598959974.db2.gz AYOSZAZEMBMQAG-UHFFFAOYSA-N -1 1 394.483 2.285 20 0 GEADMM c1ccc(N2C[C@@H]3CN(c4c5ccccc5nnc4-c4nnn[n-]4)C[C@@H]3C2)cc1 ZINC000738434637 598960964 /nfs/dbraw/zinc/96/09/64/598960964.db2.gz GXSLOHQVTLXGOD-GASCZTMLSA-N -1 1 384.447 2.383 20 0 GEADMM c1ccc(N2C[C@@H]3CN(c4c5ccccc5nnc4-c4nn[n-]n4)C[C@@H]3C2)cc1 ZINC000738434637 598960966 /nfs/dbraw/zinc/96/09/66/598960966.db2.gz GXSLOHQVTLXGOD-GASCZTMLSA-N -1 1 384.447 2.383 20 0 GEADMM COc1c(C)cnc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)c1C ZINC000737022880 598963507 /nfs/dbraw/zinc/96/35/07/598963507.db2.gz FBAAMTIVTGZJIX-UHFFFAOYSA-N -1 1 376.424 2.467 20 0 GEADMM COc1c(C)cnc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)c1C ZINC000737022880 598963509 /nfs/dbraw/zinc/96/35/09/598963509.db2.gz FBAAMTIVTGZJIX-UHFFFAOYSA-N -1 1 376.424 2.467 20 0 GEADMM O=[S@@](CCNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccccc1 ZINC000738358027 598968076 /nfs/dbraw/zinc/96/80/76/598968076.db2.gz UKSDQDJHJLGWQA-MHZLTWQESA-N -1 1 379.449 2.171 20 0 GEADMM O=[S@@](CCNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccccc1 ZINC000738358027 598968077 /nfs/dbraw/zinc/96/80/77/598968077.db2.gz UKSDQDJHJLGWQA-MHZLTWQESA-N -1 1 379.449 2.171 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735624910 598968453 /nfs/dbraw/zinc/96/84/53/598968453.db2.gz CDKQHAUCHXVFEZ-LLVKDONJSA-N -1 1 382.428 2.231 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735624910 598968455 /nfs/dbraw/zinc/96/84/55/598968455.db2.gz CDKQHAUCHXVFEZ-LLVKDONJSA-N -1 1 382.428 2.231 20 0 GEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736143998 598969542 /nfs/dbraw/zinc/96/95/42/598969542.db2.gz WOVXLEPSTCJEKI-SFHVURJKSA-N -1 1 383.362 2.408 20 0 GEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736143998 598969543 /nfs/dbraw/zinc/96/95/43/598969543.db2.gz WOVXLEPSTCJEKI-SFHVURJKSA-N -1 1 383.362 2.408 20 0 GEADMM O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145376 598982924 /nfs/dbraw/zinc/98/29/24/598982924.db2.gz IRRDJDJAFWUHNB-UHFFFAOYSA-N -1 1 385.815 2.004 20 0 GEADMM O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145376 598982925 /nfs/dbraw/zinc/98/29/25/598982925.db2.gz IRRDJDJAFWUHNB-UHFFFAOYSA-N -1 1 385.815 2.004 20 0 GEADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737107255 598985457 /nfs/dbraw/zinc/98/54/57/598985457.db2.gz ABIDQAAFWLJWKQ-INIZCTEOSA-N -1 1 380.408 2.256 20 0 GEADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737107255 598985458 /nfs/dbraw/zinc/98/54/58/598985458.db2.gz ABIDQAAFWLJWKQ-INIZCTEOSA-N -1 1 380.408 2.256 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2n1C(F)F ZINC000736116523 598985906 /nfs/dbraw/zinc/98/59/06/598985906.db2.gz BCVDZKKPZAXXKE-VIFPVBQESA-N -1 1 384.350 2.498 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2n1C(F)F ZINC000736116523 598985908 /nfs/dbraw/zinc/98/59/08/598985908.db2.gz BCVDZKKPZAXXKE-VIFPVBQESA-N -1 1 384.350 2.498 20 0 GEADMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736055548 598991972 /nfs/dbraw/zinc/99/19/72/598991972.db2.gz GOAUIZSXQVFWHH-JTQLQIEISA-N -1 1 387.241 2.385 20 0 GEADMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736055548 598991973 /nfs/dbraw/zinc/99/19/73/598991973.db2.gz GOAUIZSXQVFWHH-JTQLQIEISA-N -1 1 387.241 2.385 20 0 GEADMM CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736489217 598993975 /nfs/dbraw/zinc/99/39/75/598993975.db2.gz YFVYUKRYNRRPID-UHFFFAOYSA-N -1 1 385.815 2.307 20 0 GEADMM CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736489217 598993976 /nfs/dbraw/zinc/99/39/76/598993976.db2.gz YFVYUKRYNRRPID-UHFFFAOYSA-N -1 1 385.815 2.307 20 0 GEADMM O=C(NCc1cc(F)cc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738101975 598996869 /nfs/dbraw/zinc/99/68/69/598996869.db2.gz NGOKFXXSEPOTDR-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(NCc1cc(F)cc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738101975 598996870 /nfs/dbraw/zinc/99/68/70/598996870.db2.gz NGOKFXXSEPOTDR-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(NCCOc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085629 598997889 /nfs/dbraw/zinc/99/78/89/598997889.db2.gz JNHXVDNWINCTJH-UHFFFAOYSA-N -1 1 379.207 2.377 20 0 GEADMM O=C(NCCOc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085629 598997891 /nfs/dbraw/zinc/99/78/91/598997891.db2.gz JNHXVDNWINCTJH-UHFFFAOYSA-N -1 1 379.207 2.377 20 0 GEADMM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738191773 598998464 /nfs/dbraw/zinc/99/84/64/598998464.db2.gz WNDWVRITNANHGR-AWEZNQCLSA-N -1 1 380.408 2.462 20 0 GEADMM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738191773 598998466 /nfs/dbraw/zinc/99/84/66/598998466.db2.gz WNDWVRITNANHGR-AWEZNQCLSA-N -1 1 380.408 2.462 20 0 GEADMM O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051350 599025941 /nfs/dbraw/zinc/02/59/41/599025941.db2.gz MAJNVFRYONUPJZ-LBPRGKRZSA-N -1 1 383.843 2.171 20 0 GEADMM O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051350 599025943 /nfs/dbraw/zinc/02/59/43/599025943.db2.gz MAJNVFRYONUPJZ-LBPRGKRZSA-N -1 1 383.843 2.171 20 0 GEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820768055 599043837 /nfs/dbraw/zinc/04/38/37/599043837.db2.gz LJAXXLABRZWUTM-GFCCVEGCSA-N -1 1 396.455 2.256 20 0 GEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820768055 599043840 /nfs/dbraw/zinc/04/38/40/599043840.db2.gz LJAXXLABRZWUTM-GFCCVEGCSA-N -1 1 396.455 2.256 20 0 GEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820776745 599085189 /nfs/dbraw/zinc/08/51/89/599085189.db2.gz NCERQCFTWBXSMV-CYBMUJFWSA-N -1 1 397.870 2.195 20 0 GEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820776745 599085192 /nfs/dbraw/zinc/08/51/92/599085192.db2.gz NCERQCFTWBXSMV-CYBMUJFWSA-N -1 1 397.870 2.195 20 0 GEADMM CCN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)c1ccc(F)cc1 ZINC000736505847 599135254 /nfs/dbraw/zinc/13/52/54/599135254.db2.gz SQODVRWCHMWHCI-LBPRGKRZSA-N -1 1 398.398 2.167 20 0 GEADMM CCN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)c1ccc(F)cc1 ZINC000736505847 599135256 /nfs/dbraw/zinc/13/52/56/599135256.db2.gz SQODVRWCHMWHCI-LBPRGKRZSA-N -1 1 398.398 2.167 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1 ZINC000735628521 599165446 /nfs/dbraw/zinc/16/54/46/599165446.db2.gz VIOMALQLGBXJIB-ZDUSSCGKSA-N -1 1 396.451 2.439 20 0 GEADMM Cc1ccc(N(C)C2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)nn1 ZINC000737346505 599173641 /nfs/dbraw/zinc/17/36/41/599173641.db2.gz HBQKOUFHJPIQCD-UHFFFAOYSA-N -1 1 391.892 2.180 20 0 GEADMM Cc1ccc(N(C)C2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)nn1 ZINC000737346505 599173644 /nfs/dbraw/zinc/17/36/44/599173644.db2.gz HBQKOUFHJPIQCD-UHFFFAOYSA-N -1 1 391.892 2.180 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2ccccc2CC1 ZINC000738355657 599179890 /nfs/dbraw/zinc/17/98/90/599179890.db2.gz SAFCOFYGAMVINB-UHFFFAOYSA-N -1 1 389.868 2.310 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2ccccc2CC1 ZINC000738355657 599179891 /nfs/dbraw/zinc/17/98/91/599179891.db2.gz SAFCOFYGAMVINB-UHFFFAOYSA-N -1 1 389.868 2.310 20 0 GEADMM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000819946857 599194389 /nfs/dbraw/zinc/19/43/89/599194389.db2.gz UFBYJLBUFDQZDT-UHFFFAOYSA-N -1 1 380.408 2.147 20 0 GEADMM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000819946857 599194391 /nfs/dbraw/zinc/19/43/91/599194391.db2.gz UFBYJLBUFDQZDT-UHFFFAOYSA-N -1 1 380.408 2.147 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC000262662184 596918034 /nfs/dbraw/zinc/91/80/34/596918034.db2.gz ODGLWMMIIKLFAB-KRWDZBQOSA-N -1 1 376.453 2.164 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000262678622 596919789 /nfs/dbraw/zinc/91/97/89/596919789.db2.gz VEAPKGAPOGHMMN-CQSZACIVSA-N -1 1 375.469 2.292 20 0 GEADMM CCN(CC)C(=O)c1ccc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000565458254 597083716 /nfs/dbraw/zinc/08/37/16/597083716.db2.gz KXVNGYMEAXQUEM-OAHLLOKOSA-N -1 1 375.469 2.294 20 0 GEADMM CCOc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)nc2nc(C(F)(F)F)nn21 ZINC000818236449 597255016 /nfs/dbraw/zinc/25/50/16/597255016.db2.gz FTZCVISZKBSIJZ-JTQLQIEISA-N -1 1 387.362 2.229 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CSc2ccccc21 ZINC000737198488 599262581 /nfs/dbraw/zinc/26/25/81/599262581.db2.gz AGPZAIZFNTUFBR-CQSZACIVSA-N -1 1 396.476 2.480 20 0 GEADMM CC(C)CNC(=O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735836555 599264282 /nfs/dbraw/zinc/26/42/82/599264282.db2.gz ZYFIBPYSHOWJNZ-UHFFFAOYSA-N -1 1 379.468 2.404 20 0 GEADMM CC(C)CNC(=O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735836555 599264284 /nfs/dbraw/zinc/26/42/84/599264284.db2.gz ZYFIBPYSHOWJNZ-UHFFFAOYSA-N -1 1 379.468 2.404 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000820996504 597491074 /nfs/dbraw/zinc/49/10/74/597491074.db2.gz CUWWIZNTIJJVBJ-ZWKOTPCHSA-N -1 1 381.432 2.193 20 0 GEADMM O=C([O-])[C@@H]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000269205480 597503929 /nfs/dbraw/zinc/50/39/29/597503929.db2.gz TYZHNKLGUNWBHT-CYBMUJFWSA-N -1 1 389.477 2.179 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CSc3ccccc32)cc1-c1nn[n-]n1 ZINC000737187790 599278747 /nfs/dbraw/zinc/27/87/47/599278747.db2.gz VDNIFPZEXNSTTR-LLVKDONJSA-N -1 1 386.462 2.266 20 0 GEADMM CCS(=O)(=O)CCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736659849 599287725 /nfs/dbraw/zinc/28/77/25/599287725.db2.gz XLDAEORLCDNOTQ-UHFFFAOYSA-N -1 1 381.405 2.116 20 0 GEADMM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000520564988 598169767 /nfs/dbraw/zinc/16/97/67/598169767.db2.gz XBNYFEXKCFRHGS-VIFPVBQESA-N -1 1 380.351 2.152 20 0 GEADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000820459597 598187307 /nfs/dbraw/zinc/18/73/07/598187307.db2.gz HUNJKLDRYJRZJB-ZTENYAIWSA-N -1 1 377.485 2.328 20 0 GEADMM COc1cccc([C@@H]2[C@H](NC(=O)N3CCC(C(=O)[O-])CC3)CCN2C2CC2)c1 ZINC000820865751 598215970 /nfs/dbraw/zinc/21/59/70/598215970.db2.gz WFFFRBZASKLCDV-RTBURBONSA-N -1 1 387.480 2.479 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ncccc2C)c1-c1nn[n-]n1 ZINC000737188589 598241294 /nfs/dbraw/zinc/24/12/94/598241294.db2.gz CFPOZODFGLBKCY-UHFFFAOYSA-N -1 1 381.465 2.494 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2ccccc2c1 ZINC000736129615 598260842 /nfs/dbraw/zinc/26/08/42/598260842.db2.gz GXYRKVHGNKCUPO-GFCCVEGCSA-N -1 1 380.433 2.454 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2ccccc2c1 ZINC000736129615 598260843 /nfs/dbraw/zinc/26/08/43/598260843.db2.gz GXYRKVHGNKCUPO-GFCCVEGCSA-N -1 1 380.433 2.454 20 0 GEADMM CCCN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736472869 598269037 /nfs/dbraw/zinc/26/90/37/598269037.db2.gz VEXMYNYJYIZCDW-MRXNPFEDSA-N -1 1 398.492 2.220 20 0 GEADMM CCCN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736472869 598269039 /nfs/dbraw/zinc/26/90/39/598269039.db2.gz VEXMYNYJYIZCDW-MRXNPFEDSA-N -1 1 398.492 2.220 20 0 GEADMM CCCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736489779 598269985 /nfs/dbraw/zinc/26/99/85/598269985.db2.gz AUKFHFJFJJBTNU-GFCCVEGCSA-N -1 1 388.453 2.090 20 0 GEADMM CCCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736489779 598269986 /nfs/dbraw/zinc/26/99/86/598269986.db2.gz AUKFHFJFJJBTNU-GFCCVEGCSA-N -1 1 388.453 2.090 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCc1ccccc1)C1CCCC1 ZINC000738354663 598271621 /nfs/dbraw/zinc/27/16/21/598271621.db2.gz JGMKLPFGTYEISN-UHFFFAOYSA-N -1 1 398.492 2.438 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCc1ccccc1)C1CCCC1 ZINC000738354663 598271622 /nfs/dbraw/zinc/27/16/22/598271622.db2.gz JGMKLPFGTYEISN-UHFFFAOYSA-N -1 1 398.492 2.438 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)Cc2ccccc2O)c1-c1nn[n-]n1 ZINC000737504305 598289491 /nfs/dbraw/zinc/28/94/91/598289491.db2.gz SAYHWSAIJXIXJQ-UHFFFAOYSA-N -1 1 390.403 2.352 20 0 GEADMM COc1ccnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000737156779 598308071 /nfs/dbraw/zinc/30/80/71/598308071.db2.gz ZPRFEYZNYMIOPJ-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM COc1ccnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000737156779 598308072 /nfs/dbraw/zinc/30/80/72/598308072.db2.gz ZPRFEYZNYMIOPJ-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(Br)cc1[O-] ZINC000738102081 598321679 /nfs/dbraw/zinc/32/16/79/598321679.db2.gz MONGIZSZNNTORV-UHFFFAOYSA-N -1 1 392.188 2.404 20 0 GEADMM Fc1cccc(-c2noc([C@H]3CCCN(c4nccnc4-c4nnn[n-]4)C3)n2)c1 ZINC000737668458 598352357 /nfs/dbraw/zinc/35/23/57/598352357.db2.gz VJAZYTLUPQAVSP-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1cccc(-c2noc([C@H]3CCCN(c4nccnc4-c4nn[n-]n4)C3)n2)c1 ZINC000737668458 598352359 /nfs/dbraw/zinc/35/23/59/598352359.db2.gz VJAZYTLUPQAVSP-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM CCc1nn(CCCOc2ccc(OC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705395 598377979 /nfs/dbraw/zinc/37/79/79/598377979.db2.gz HONOTPHIOSKWEQ-UHFFFAOYSA-N -1 1 384.440 2.026 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cn2c(n1)CCCC2 ZINC000737548368 598385311 /nfs/dbraw/zinc/38/53/11/598385311.db2.gz PDBPQXXEJIDJLX-UHFFFAOYSA-N -1 1 392.423 2.022 20 0 GEADMM CCNC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736574635 598393998 /nfs/dbraw/zinc/39/39/98/598393998.db2.gz TXVXFEMYTDMFKV-LLVKDONJSA-N -1 1 398.398 2.053 20 0 GEADMM CCNC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736574635 598394000 /nfs/dbraw/zinc/39/40/00/598394000.db2.gz TXVXFEMYTDMFKV-LLVKDONJSA-N -1 1 398.398 2.053 20 0 GEADMM CCN(CC(=O)OC)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736513112 598396791 /nfs/dbraw/zinc/39/67/91/598396791.db2.gz OIGZAZIPTDXMLO-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM CCN(CC(=O)OC)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736513112 598396793 /nfs/dbraw/zinc/39/67/93/598396793.db2.gz OIGZAZIPTDXMLO-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM COC(=O)C1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000736912157 598398915 /nfs/dbraw/zinc/39/89/15/598398915.db2.gz ZLVFQBFTFFEVRI-UHFFFAOYSA-N -1 1 398.423 2.020 20 0 GEADMM COC(=O)C1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000736912157 598398916 /nfs/dbraw/zinc/39/89/16/598398916.db2.gz ZLVFQBFTFFEVRI-UHFFFAOYSA-N -1 1 398.423 2.020 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000823126038 607354636 /nfs/dbraw/zinc/35/46/36/607354636.db2.gz GAOGNOLHBQBNGC-OAHLLOKOSA-N -1 1 386.847 2.159 20 0 GEADMM CC1CCC(N(C)C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CC1 ZINC000736243540 598503583 /nfs/dbraw/zinc/50/35/83/598503583.db2.gz WBQCEQUQOYNVBB-UHFFFAOYSA-N -1 1 380.452 2.219 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2noc(-c3ccsc3)n2)c2ccccc12 ZINC000738372434 598504619 /nfs/dbraw/zinc/50/46/19/598504619.db2.gz QBXDKFOWQRNKOT-UHFFFAOYSA-N -1 1 377.389 2.341 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCc2c1cccc2O ZINC000737200521 598567899 /nfs/dbraw/zinc/56/78/99/598567899.db2.gz NMXCTJMGYRVDAF-HNNXBMFYSA-N -1 1 394.435 2.026 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735636508 598578871 /nfs/dbraw/zinc/57/88/71/598578871.db2.gz XQWLTXWJHACWNI-SNVBAGLBSA-N -1 1 379.852 2.266 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735636508 598578873 /nfs/dbraw/zinc/57/88/73/598578873.db2.gz XQWLTXWJHACWNI-SNVBAGLBSA-N -1 1 379.852 2.266 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737186673 598606116 /nfs/dbraw/zinc/60/61/16/598606116.db2.gz KQQVSRFMFMPFDF-GFCCVEGCSA-N -1 1 397.464 2.016 20 0 GEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](O)c1c(F)cccc1F ZINC000820919445 607361295 /nfs/dbraw/zinc/36/12/95/607361295.db2.gz CAIZDYDQGLLNIP-IINYFYTJSA-N -1 1 379.392 2.448 20 0 GEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](O)c1c(F)cccc1F ZINC000820919445 607361297 /nfs/dbraw/zinc/36/12/97/607361297.db2.gz CAIZDYDQGLLNIP-IINYFYTJSA-N -1 1 379.392 2.448 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2ccc(Cl)cc21 ZINC000738353807 598663822 /nfs/dbraw/zinc/66/38/22/598663822.db2.gz HFUORHKMBROOOZ-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738340535 598687840 /nfs/dbraw/zinc/68/78/40/598687840.db2.gz XQBIATAKRPPBGO-UHFFFAOYSA-N -1 1 392.265 2.330 20 0 GEADMM CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816388 598688303 /nfs/dbraw/zinc/68/83/03/598688303.db2.gz GDLKVGRWJVILIE-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM CCOc1cccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736654240 598693111 /nfs/dbraw/zinc/69/31/11/598693111.db2.gz HWTXZSOMLJOCGW-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM Clc1nsc(N[C@@H](CN2CCOCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000737583957 598723182 /nfs/dbraw/zinc/72/31/82/598723182.db2.gz OVFRZPOJEOQDNW-LBPRGKRZSA-N -1 1 391.888 2.462 20 0 GEADMM Clc1nsc(N[C@@H](CN2CCOCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000737583957 598723184 /nfs/dbraw/zinc/72/31/84/598723184.db2.gz OVFRZPOJEOQDNW-LBPRGKRZSA-N -1 1 391.888 2.462 20 0 GEADMM COC(=O)[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1cccc2ccccc21 ZINC000736890505 598817074 /nfs/dbraw/zinc/81/70/74/598817074.db2.gz AAOBYDMYZHTEJQ-HNNXBMFYSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1cccc2ccccc21 ZINC000736890505 598817076 /nfs/dbraw/zinc/81/70/76/598817076.db2.gz AAOBYDMYZHTEJQ-HNNXBMFYSA-N -1 1 389.419 2.254 20 0 GEADMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000823392668 599301325 /nfs/dbraw/zinc/30/13/25/599301325.db2.gz RGEUOAZFZHCTGB-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736301648 599334120 /nfs/dbraw/zinc/33/41/20/599334120.db2.gz BTKQYCWOPUGGLZ-SNVBAGLBSA-N -1 1 378.845 2.087 20 0 GEADMM CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736828477 599334371 /nfs/dbraw/zinc/33/43/71/599334371.db2.gz LRLBFVYHOGWXJW-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CCc1nc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000821504461 599340286 /nfs/dbraw/zinc/34/02/86/599340286.db2.gz DZMYLNMBGZJPPR-UHFFFAOYSA-N -1 1 398.901 2.360 20 0 GEADMM CC(C)OC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820142160 599341595 /nfs/dbraw/zinc/34/15/95/599341595.db2.gz IGKDQGQRBOEEIL-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821449931 599377065 /nfs/dbraw/zinc/37/70/65/599377065.db2.gz YQIFZXHGGDAPQU-QWRGUYRKSA-N -1 1 385.490 2.301 20 0 GEADMM CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821449931 599377068 /nfs/dbraw/zinc/37/70/68/599377068.db2.gz YQIFZXHGGDAPQU-QWRGUYRKSA-N -1 1 385.490 2.301 20 0 GEADMM O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173108 599387538 /nfs/dbraw/zinc/38/75/38/599387538.db2.gz JERGIEAZYWSSOB-SJORKVTESA-N -1 1 380.408 2.196 20 0 GEADMM O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173108 599387540 /nfs/dbraw/zinc/38/75/40/599387540.db2.gz JERGIEAZYWSSOB-SJORKVTESA-N -1 1 380.408 2.196 20 0 GEADMM O=S(=O)(c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1)N1CCCCC1 ZINC000738355338 599399086 /nfs/dbraw/zinc/39/90/86/599399086.db2.gz PBRHKDFLKNODQI-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM O=S(=O)(c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1)N1CCCCC1 ZINC000738355338 599399092 /nfs/dbraw/zinc/39/90/92/599399092.db2.gz PBRHKDFLKNODQI-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM O=C(Nc1cc(Cl)ccc1O)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738144312 599412973 /nfs/dbraw/zinc/41/29/73/599412973.db2.gz BUDUFSLLZUKAHD-UHFFFAOYSA-N -1 1 399.842 2.476 20 0 GEADMM O=C(c1cccc(Cl)c1)N1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738273813 599417947 /nfs/dbraw/zinc/41/79/47/599417947.db2.gz NKNIMLSKXQKHKY-UHFFFAOYSA-N -1 1 383.843 2.268 20 0 GEADMM O=C(c1cccc(Cl)c1)N1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738273813 599417949 /nfs/dbraw/zinc/41/79/49/599417949.db2.gz NKNIMLSKXQKHKY-UHFFFAOYSA-N -1 1 383.843 2.268 20 0 GEADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)COc1cccc(C(F)(F)F)c1 ZINC000738384565 599417995 /nfs/dbraw/zinc/41/79/95/599417995.db2.gz SZODDGHAYURMRB-NSHDSACASA-N -1 1 380.330 2.132 20 0 GEADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)COc1cccc(C(F)(F)F)c1 ZINC000738384565 599417996 /nfs/dbraw/zinc/41/79/96/599417996.db2.gz SZODDGHAYURMRB-NSHDSACASA-N -1 1 380.330 2.132 20 0 GEADMM O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1cc(Br)ccc1[O-] ZINC000823238316 599490920 /nfs/dbraw/zinc/49/09/20/599490920.db2.gz MVWYOXGINDUSLI-UHFFFAOYSA-N -1 1 392.188 2.404 20 0 GEADMM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653831 599493023 /nfs/dbraw/zinc/49/30/23/599493023.db2.gz MEHFPOPESUVMKQ-INIZCTEOSA-N -1 1 394.391 2.173 20 0 GEADMM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653831 599493024 /nfs/dbraw/zinc/49/30/24/599493024.db2.gz MEHFPOPESUVMKQ-INIZCTEOSA-N -1 1 394.391 2.173 20 0 GEADMM O=C([C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1)N1CCCC1 ZINC000822917775 599551454 /nfs/dbraw/zinc/55/14/54/599551454.db2.gz WSCQLSXVWOTOEH-CQSZACIVSA-N -1 1 377.452 2.254 20 0 GEADMM O=C([C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1)N1CCCC1 ZINC000822917775 599551455 /nfs/dbraw/zinc/55/14/55/599551455.db2.gz WSCQLSXVWOTOEH-CQSZACIVSA-N -1 1 377.452 2.254 20 0 GEADMM Cc1oc(NC(=O)[C@H](C)N2CCc3ccc(O)cc3C2)c(-c2nn[n-]n2)c1C ZINC000737553977 599587156 /nfs/dbraw/zinc/58/71/56/599587156.db2.gz YRLHBVIIRYNBTE-NSHDSACASA-N -1 1 382.424 2.167 20 0 GEADMM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736267983 599593052 /nfs/dbraw/zinc/59/30/52/599593052.db2.gz VMPRJKUDPWZYMA-SECBINFHSA-N -1 1 375.376 2.449 20 0 GEADMM O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823396926 599626495 /nfs/dbraw/zinc/62/64/95/599626495.db2.gz PCORKOAPRUIRHO-CYBMUJFWSA-N -1 1 383.433 2.134 20 0 GEADMM Cc1oc(NC(=O)[C@@H](C)N2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822541923 599641695 /nfs/dbraw/zinc/64/16/95/599641695.db2.gz RJVVTMKWBIVOOJ-CYBMUJFWSA-N -1 1 388.472 2.439 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cccc(Cl)n1 ZINC000822010285 599651137 /nfs/dbraw/zinc/65/11/37/599651137.db2.gz WLWYSPPGCAJAOR-UHFFFAOYSA-N -1 1 388.815 2.309 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000822458024 599653183 /nfs/dbraw/zinc/65/31/83/599653183.db2.gz BVONLVLVTSMLMQ-HNNXBMFYSA-N -1 1 396.499 2.353 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000822458024 599653184 /nfs/dbraw/zinc/65/31/84/599653184.db2.gz BVONLVLVTSMLMQ-HNNXBMFYSA-N -1 1 396.499 2.353 20 0 GEADMM CO[C@@]1(C)C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821678189 599654551 /nfs/dbraw/zinc/65/45/51/599654551.db2.gz KTMUWWBWSGWTPH-BLVKFPJESA-N -1 1 384.440 2.492 20 0 GEADMM CO[C@@]1(C)C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821678189 599654552 /nfs/dbraw/zinc/65/45/52/599654552.db2.gz KTMUWWBWSGWTPH-BLVKFPJESA-N -1 1 384.440 2.492 20 0 GEADMM Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000570851158 599719647 /nfs/dbraw/zinc/71/96/47/599719647.db2.gz CVIVAPCGGSJGBW-HNNXBMFYSA-N -1 1 392.477 2.477 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(-c2ccncc2)no1 ZINC000736389647 599776581 /nfs/dbraw/zinc/77/65/81/599776581.db2.gz KIGYJHJOTCTICU-ZDUSSCGKSA-N -1 1 392.393 2.098 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(-c2ccncc2)no1 ZINC000736389645 599776735 /nfs/dbraw/zinc/77/67/35/599776735.db2.gz KIGYJHJOTCTICU-CYBMUJFWSA-N -1 1 392.393 2.098 20 0 GEADMM CCCC(=O)NC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952994 599785262 /nfs/dbraw/zinc/78/52/62/599785262.db2.gz ZDZTYPZOSLBWMT-DOTOQJQBSA-N -1 1 389.496 2.018 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCCCCC(=O)[O-])c2C1 ZINC000736354831 599790318 /nfs/dbraw/zinc/79/03/18/599790318.db2.gz LRDVJRSXFLGBGA-CQSZACIVSA-N -1 1 375.469 2.356 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000737122907 599795930 /nfs/dbraw/zinc/79/59/30/599795930.db2.gz NJXWMOLWXDHNBX-HUUCEWRRSA-N -1 1 392.475 2.145 20 0 GEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000736205044 599796677 /nfs/dbraw/zinc/79/66/77/599796677.db2.gz MIDBNPQEQHLOJT-KRWDZBQOSA-N -1 1 387.524 2.295 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736649469 599800485 /nfs/dbraw/zinc/80/04/85/599800485.db2.gz GMTVNJMGTWGRRS-BDJLRTHQSA-N -1 1 398.394 2.153 20 0 GEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)c1 ZINC000738144028 599822597 /nfs/dbraw/zinc/82/25/97/599822597.db2.gz ZGLJYKWYSMCMMN-UHFFFAOYSA-N -1 1 384.436 2.462 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c(C(=O)[O-])s1 ZINC000737680910 599851013 /nfs/dbraw/zinc/85/10/13/599851013.db2.gz NTHIXSMPQDDBJV-UHFFFAOYSA-N -1 1 395.418 2.218 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738406145 599861011 /nfs/dbraw/zinc/86/10/11/599861011.db2.gz MBDCIDLPJFLYIC-HNNXBMFYSA-N -1 1 375.473 2.011 20 0 GEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000736203560 599866681 /nfs/dbraw/zinc/86/66/81/599866681.db2.gz DLKYUPZUCCGXMC-LIRRHRJNSA-N -1 1 392.471 2.283 20 0 GEADMM Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)N(C)C)cc1 ZINC000738549768 599881030 /nfs/dbraw/zinc/88/10/30/599881030.db2.gz BEAHXULOXFMSSZ-IBGZPJMESA-N -1 1 397.475 2.370 20 0 GEADMM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000590435744 599928826 /nfs/dbraw/zinc/92/88/26/599928826.db2.gz LZEQFPZTCVZBPH-CYBMUJFWSA-N -1 1 386.427 2.162 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCCN1CCc2ccccc2C1 ZINC000184918422 599932659 /nfs/dbraw/zinc/93/26/59/599932659.db2.gz AVJRMTZSIWYTIV-UHFFFAOYSA-N -1 1 388.489 2.420 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)nn1 ZINC000738278343 599956841 /nfs/dbraw/zinc/95/68/41/599956841.db2.gz MJUDSZGQKWKYCC-KRWDZBQOSA-N -1 1 383.452 2.023 20 0 GEADMM CCOCCN1CCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@H]1CC ZINC000737176295 599962128 /nfs/dbraw/zinc/96/21/28/599962128.db2.gz DQVLEUXXZIUAPW-QGZVFWFLSA-N -1 1 377.485 2.064 20 0 GEADMM Cc1nc(C)n(C[C@H]2CCCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738850588 599969127 /nfs/dbraw/zinc/96/91/27/599969127.db2.gz QQFIUWPZUSZOML-KDOFPFPSSA-N -1 1 399.495 2.010 20 0 GEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000740145552 599983550 /nfs/dbraw/zinc/98/35/50/599983550.db2.gz TUDOYRZDYCLSBI-UHFFFAOYSA-N -1 1 379.369 2.068 20 0 GEADMM COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)N(C)C)c1 ZINC000738093808 600042427 /nfs/dbraw/zinc/04/24/27/600042427.db2.gz ZKUNCJVVFNWOCW-GOSISDBHSA-N -1 1 399.447 2.059 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccco1 ZINC000737084521 600048990 /nfs/dbraw/zinc/04/89/90/600048990.db2.gz ALDUAZNXDCRIQM-INIZCTEOSA-N -1 1 387.436 2.424 20 0 GEADMM COc1cccc(S(=O)(=O)Nc2c(C(=O)[O-])cc(OC)c(OC)c2OC)c1 ZINC000589429184 600094216 /nfs/dbraw/zinc/09/42/16/600094216.db2.gz UTDHYJLJNFYKMM-UHFFFAOYSA-N -1 1 397.405 2.220 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000737688916 600099830 /nfs/dbraw/zinc/09/98/30/600099830.db2.gz PWKCPXBXODLBFO-JTQLQIEISA-N -1 1 393.421 2.140 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2N(C)C)c(C(=O)[O-])s1 ZINC000737682235 600105407 /nfs/dbraw/zinc/10/54/07/600105407.db2.gz XSEGGZAIFOXVBK-UHFFFAOYSA-N -1 1 384.435 2.100 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000274185640 600129001 /nfs/dbraw/zinc/12/90/01/600129001.db2.gz JTXORWRNLZWGBW-OWCLPIDISA-N -1 1 375.469 2.035 20 0 GEADMM CCC[C@](C)(NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000736965507 600156470 /nfs/dbraw/zinc/15/64/70/600156470.db2.gz VIMYRQQUKJNJTG-SXGZJXTBSA-N -1 1 377.485 2.472 20 0 GEADMM O=C([O-])c1sc(NCCCCN2CCN(c3ncccn3)CC2)nc1Cl ZINC000740278917 600162744 /nfs/dbraw/zinc/16/27/44/600162744.db2.gz LMPPOSZCSBPLAI-UHFFFAOYSA-N -1 1 396.904 2.299 20 0 GEADMM CON(C)C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000067029854 600168719 /nfs/dbraw/zinc/16/87/19/600168719.db2.gz CIFKKVXQGDPZTJ-UHFFFAOYSA-N -1 1 398.824 2.472 20 0 GEADMM CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)ccc21 ZINC000681559088 600177220 /nfs/dbraw/zinc/17/72/20/600177220.db2.gz WXAFZZDYRCHHQZ-UHFFFAOYSA-N -1 1 390.417 2.190 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738228878 600246349 /nfs/dbraw/zinc/24/63/49/600246349.db2.gz DUBJZQKABKEYTA-UHFFFAOYSA-N -1 1 390.359 2.287 20 0 GEADMM O=C([O-])c1cc(NC(=O)N2CCN(CC3CCOCC3)CC2)c(F)cc1F ZINC000740090512 600275615 /nfs/dbraw/zinc/27/56/15/600275615.db2.gz RSBPYLWKPXEVNL-UHFFFAOYSA-N -1 1 383.395 2.239 20 0 GEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000739279437 600288352 /nfs/dbraw/zinc/28/83/52/600288352.db2.gz ZOPUTJCHDNPSFU-CQSZACIVSA-N -1 1 386.370 2.388 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccs1 ZINC000737360279 600297571 /nfs/dbraw/zinc/29/75/71/600297571.db2.gz HPGJYZKTSHYQBN-CYBMUJFWSA-N -1 1 395.868 2.457 20 0 GEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)CC2 ZINC000739277879 600311847 /nfs/dbraw/zinc/31/18/47/600311847.db2.gz JWMCXSQJPNNVRP-OAHLLOKOSA-N -1 1 382.407 2.133 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1cccs1 ZINC000737579494 600343903 /nfs/dbraw/zinc/34/39/03/600343903.db2.gz PRRZPDZJFOVMMZ-GFCCVEGCSA-N -1 1 389.838 2.292 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)N(C)Cc1ccccc1 ZINC000390525988 600345698 /nfs/dbraw/zinc/34/56/98/600345698.db2.gz GVTUHYLXRAJBMD-ZDUSSCGKSA-N -1 1 380.441 2.323 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H](SC)C2)cc1-c1nn[n-]n1 ZINC000821969677 607441348 /nfs/dbraw/zinc/44/13/48/607441348.db2.gz CXHLFBWMFWJWKZ-SECBINFHSA-N -1 1 380.499 2.047 20 0 GEADMM CC(C)N1CCO[C@@H](CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000736474225 600406179 /nfs/dbraw/zinc/40/61/79/600406179.db2.gz KSFANWIBRLCYLO-RBUKOAKNSA-N -1 1 395.931 2.193 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)Nc3cccc(OCC(=O)[O-])c3)n2)cc1 ZINC000737911599 600463532 /nfs/dbraw/zinc/46/35/32/600463532.db2.gz KUUVNIBZGQQNQL-UHFFFAOYSA-N -1 1 397.391 2.265 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)Nc3cccc(OCC(=O)[O-])c3)n[nH]2)cc1 ZINC000737911599 600463533 /nfs/dbraw/zinc/46/35/33/600463533.db2.gz KUUVNIBZGQQNQL-UHFFFAOYSA-N -1 1 397.391 2.265 20 0 GEADMM CC(C)[C@H]1CN(C)CCN1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000736395205 600496897 /nfs/dbraw/zinc/49/68/97/600496897.db2.gz AAQUPPYXVUMSII-GOSISDBHSA-N -1 1 377.485 2.412 20 0 GEADMM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000567867301 600549710 /nfs/dbraw/zinc/54/97/10/600549710.db2.gz MDUSODBVDFYWHJ-GOSISDBHSA-N -1 1 381.432 2.104 20 0 GEADMM O=C([O-])Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000739877448 600550493 /nfs/dbraw/zinc/55/04/93/600550493.db2.gz PAFDQFKQOALDRQ-LJQANCHMSA-N -1 1 395.459 2.033 20 0 GEADMM COc1ccc2c(c1)N(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C[C@H](C)O2 ZINC000821849464 607454731 /nfs/dbraw/zinc/45/47/31/607454731.db2.gz JEEDDECDKQWOQR-JTQLQIEISA-N -1 1 398.423 2.311 20 0 GEADMM CC(C)[C@@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])N1CCN(C)CC1 ZINC000736711872 600591175 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O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826472319 607512563 /nfs/dbraw/zinc/51/25/63/607512563.db2.gz GXJKMAZYKKABIZ-DOTOQJQBSA-N -1 1 382.399 2.129 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826472319 607512565 /nfs/dbraw/zinc/51/25/65/607512565.db2.gz GXJKMAZYKKABIZ-DOTOQJQBSA-N -1 1 382.399 2.129 20 0 GEADMM CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000830609221 601568287 /nfs/dbraw/zinc/56/82/87/601568287.db2.gz YTZPNUVMVBHBOY-UHFFFAOYSA-N -1 1 398.431 2.416 20 0 GEADMM C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C1 ZINC000184960967 601573085 /nfs/dbraw/zinc/57/30/85/601573085.db2.gz FEEJWRPCZRXBQU-NSHDSACASA-N -1 1 390.452 2.452 20 0 GEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)CN1CCC(C)CC1)CC2 ZINC000832103489 601585201 /nfs/dbraw/zinc/58/52/01/601585201.db2.gz SSHCNYROAAHURV-QGZVFWFLSA-N -1 1 390.480 2.336 20 0 GEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000826032151 601608702 /nfs/dbraw/zinc/60/87/02/601608702.db2.gz ZLAOPPRKBQLAKR-UGSOOPFHSA-N -1 1 394.431 2.261 20 0 GEADMM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000826032010 601610927 /nfs/dbraw/zinc/61/09/27/601610927.db2.gz WPEVAHRETKWDHG-UTKZUKDTSA-N -1 1 396.491 2.172 20 0 GEADMM O=C([O-])CCN(CC(=O)Nc1nc(-c2ccco2)cs1)C1CCOCC1 ZINC000833232030 601648596 /nfs/dbraw/zinc/64/85/96/601648596.db2.gz LFXOSYINCLVMFW-UHFFFAOYSA-N -1 1 379.438 2.297 20 0 GEADMM CCOCCN1CCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@@H]1CC ZINC000830012036 601689282 /nfs/dbraw/zinc/68/92/82/601689282.db2.gz SZYCUULWOVKXFA-SFHVURJKSA-N -1 1 392.496 2.340 20 0 GEADMM CC(C)(CNC(=O)c1n[nH]c2ccc(I)cc21)C(=O)[O-] ZINC000826596577 601711977 /nfs/dbraw/zinc/71/19/77/601711977.db2.gz ZYBDXJBSNGHFJV-UHFFFAOYSA-N -1 1 387.177 2.008 20 0 GEADMM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826116805 607523881 /nfs/dbraw/zinc/52/38/81/607523881.db2.gz DSKLYZDGYXIXLQ-OAHLLOKOSA-N -1 1 392.341 2.025 20 0 GEADMM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826116805 607523882 /nfs/dbraw/zinc/52/38/82/607523882.db2.gz DSKLYZDGYXIXLQ-OAHLLOKOSA-N -1 1 392.341 2.025 20 0 GEADMM CCCCC[C@@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000829321861 601747663 /nfs/dbraw/zinc/74/76/63/601747663.db2.gz ZRKLPOJWXCTXNS-CQSZACIVSA-N -1 1 377.466 2.225 20 0 GEADMM O=C([O-])CCCc1csc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000833228831 601783366 /nfs/dbraw/zinc/78/33/66/601783366.db2.gz BJFAAQCYGNMSTG-LJQANCHMSA-N -1 1 389.477 2.126 20 0 GEADMM COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1F ZINC000831327287 601833748 /nfs/dbraw/zinc/83/37/48/601833748.db2.gz GCVWHVLWLUJYDM-UHFFFAOYSA-N -1 1 388.760 2.160 20 0 GEADMM CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000185052341 601842923 /nfs/dbraw/zinc/84/29/23/601842923.db2.gz OFHVOPBKJKXZDC-UHFFFAOYSA-N -1 1 386.857 2.384 20 0 GEADMM O=C([O-])CCC1CCN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000595883288 601845372 /nfs/dbraw/zinc/84/53/72/601845372.db2.gz XACRHPCVFCJSKX-UHFFFAOYSA-N -1 1 391.512 2.358 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)ccc1F ZINC000759677146 601853995 /nfs/dbraw/zinc/85/39/95/601853995.db2.gz FBTKTOXSXRYZQS-NSHDSACASA-N -1 1 381.381 2.492 20 0 GEADMM CN1CCN(C[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC000635507192 601866735 /nfs/dbraw/zinc/86/67/35/601866735.db2.gz KWYGFQQTTIPPFZ-FQEVSTJZSA-N -1 1 396.491 2.173 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000832272350 601871381 /nfs/dbraw/zinc/87/13/81/601871381.db2.gz DUBHMLDUGYUVHH-KSSFIOAISA-N -1 1 378.469 2.456 20 0 GEADMM O=C([O-])C[C@H]1CSCCN1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000833222890 601886693 /nfs/dbraw/zinc/88/66/93/601886693.db2.gz RCXQSQZTKLQZQC-KRWDZBQOSA-N -1 1 392.521 2.086 20 0 GEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000830841139 601890504 /nfs/dbraw/zinc/89/05/04/601890504.db2.gz WGSRLEZPETZMFF-ZDUSSCGKSA-N -1 1 388.436 2.139 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000062936110 601918710 /nfs/dbraw/zinc/91/87/10/601918710.db2.gz LCBDGCKQYJWRCX-AWEZNQCLSA-N -1 1 388.205 2.026 20 0 GEADMM O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000740370488 601924176 /nfs/dbraw/zinc/92/41/76/601924176.db2.gz YBRLKCICPWQIRH-KURKYZTESA-N -1 1 387.480 2.103 20 0 GEADMM O=C(CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000740370488 601924181 /nfs/dbraw/zinc/92/41/81/601924181.db2.gz YBRLKCICPWQIRH-KURKYZTESA-N -1 1 387.480 2.103 20 0 GEADMM COc1ccc(CNC(=O)CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000739909430 601929300 /nfs/dbraw/zinc/92/93/00/601929300.db2.gz SKBFHWZFNNSJAV-MSOLQXFVSA-N -1 1 375.469 2.308 20 0 GEADMM COc1ccccc1CCNC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739974622 601929307 /nfs/dbraw/zinc/92/93/07/601929307.db2.gz JOKVHYJIPKAEJA-ZWKOTPCHSA-N -1 1 389.496 2.351 20 0 GEADMM C[C@@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000738951481 601949784 /nfs/dbraw/zinc/94/97/84/601949784.db2.gz IUCIRRPNECPQJP-CQSZACIVSA-N -1 1 392.475 2.335 20 0 GEADMM C[C@H](NC(=O)CN1CC[C@H](CNC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000738962554 601957249 /nfs/dbraw/zinc/95/72/49/601957249.db2.gz SMCHURNXOODTFH-NWDGAFQWSA-N -1 1 384.274 2.216 20 0 GEADMM CO[C@@H](C)c1noc(CN2CCCN(Cc3ccc(C(=O)[O-])s3)CC2)n1 ZINC000831505045 601964723 /nfs/dbraw/zinc/96/47/23/601964723.db2.gz BZCVECVIWFJDIT-LBPRGKRZSA-N -1 1 380.470 2.245 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167560 601968986 /nfs/dbraw/zinc/96/89/86/601968986.db2.gz IMAJMOIGYAREHD-HNAYVOBHSA-N -1 1 395.459 2.031 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167548 601969315 /nfs/dbraw/zinc/96/93/15/601969315.db2.gz IAMZKKJERWUDKY-KSSFIOAISA-N -1 1 396.447 2.494 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828168713 601971336 /nfs/dbraw/zinc/97/13/36/601971336.db2.gz QBEVRYUGXHOXPY-KSSFIOAISA-N -1 1 396.447 2.494 20 0 GEADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000830856642 601984741 /nfs/dbraw/zinc/98/47/41/601984741.db2.gz MYLSFOUDTPLHQC-HNNXBMFYSA-N -1 1 392.452 2.419 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398230724 601989229 /nfs/dbraw/zinc/98/92/29/601989229.db2.gz WOFJEEQTGHPZFJ-GXTWGEPZSA-N -1 1 380.491 2.388 20 0 GEADMM CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000825248601 607538666 /nfs/dbraw/zinc/53/86/66/607538666.db2.gz WTEOPBMVZFYUKJ-IBGZPJMESA-N -1 1 377.408 2.009 20 0 GEADMM CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000825248601 607538669 /nfs/dbraw/zinc/53/86/69/607538669.db2.gz WTEOPBMVZFYUKJ-IBGZPJMESA-N -1 1 377.408 2.009 20 0 GEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCc1nc(C)no1)CC2 ZINC000572048080 602031721 /nfs/dbraw/zinc/03/17/21/602031721.db2.gz GQOAUOTYZYXWEO-HNNXBMFYSA-N -1 1 375.425 2.402 20 0 GEADMM C[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739023771 602034159 /nfs/dbraw/zinc/03/41/59/602034159.db2.gz NFXOCYLNSKGJPV-MWLCHTKSSA-N -1 1 376.438 2.132 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@](C)(C(=O)[O-])C3)c2C1 ZINC000826682134 602045965 /nfs/dbraw/zinc/04/59/65/602045965.db2.gz WNTKSVGKXHZWLQ-SZNDQCEHSA-N -1 1 387.480 2.308 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)N1CCCC1 ZINC000832597447 602055573 /nfs/dbraw/zinc/05/55/73/602055573.db2.gz YGRKITRWXZQLMI-JXFKEZNVSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)N1CCCC1 ZINC000832597448 602056021 /nfs/dbraw/zinc/05/60/21/602056021.db2.gz YGRKITRWXZQLMI-OXJNMPFZSA-N -1 1 375.469 2.338 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000828457612 602058603 /nfs/dbraw/zinc/05/86/03/602058603.db2.gz VIGBKRBAGLECKD-VWKPWSFCSA-N -1 1 389.496 2.302 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739945376 602061536 /nfs/dbraw/zinc/06/15/36/602061536.db2.gz KGNUXFXFJQCNSW-NVXWUHKLSA-N -1 1 378.473 2.082 20 0 GEADMM C[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738975915 602080134 /nfs/dbraw/zinc/08/01/34/602080134.db2.gz KJADNJPLHSDJNI-JKSUJKDBSA-N -1 1 389.500 2.124 20 0 GEADMM CN(C[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccncc3)CC2)C1)C(=O)[O-] ZINC000739641519 602103991 /nfs/dbraw/zinc/10/39/91/602103991.db2.gz LDDVNBJQNYSWNY-KRWDZBQOSA-N -1 1 389.500 2.077 20 0 GEADMM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(F)nc2)c1 ZINC000762472635 602157249 /nfs/dbraw/zinc/15/72/49/602157249.db2.gz CAOWHCCKQBLNFA-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 ZINC000827379543 602190812 /nfs/dbraw/zinc/19/08/12/602190812.db2.gz HZLZLLDADXUCQP-INIZCTEOSA-N -1 1 396.491 2.436 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C2(C)OCCO2)CC1 ZINC000832914472 602213922 /nfs/dbraw/zinc/21/39/22/602213922.db2.gz FRYHXPHUOGFZPB-AWEZNQCLSA-N -1 1 376.453 2.495 20 0 GEADMM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)N1CCCCC1 ZINC000826585627 602219249 /nfs/dbraw/zinc/21/92/49/602219249.db2.gz QDQLFDVMPLYHBB-UHFFFAOYSA-N -1 1 397.497 2.174 20 0 GEADMM CN(Cc1cc(Br)cn1C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000830805852 602247807 /nfs/dbraw/zinc/24/78/07/602247807.db2.gz CCFBBFLWUBAHNQ-HNNXBMFYSA-N -1 1 397.269 2.358 20 0 GEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000833195152 602284622 /nfs/dbraw/zinc/28/46/22/602284622.db2.gz VNWLYGGVIBPBCN-QYZOEREBSA-N -1 1 398.459 2.206 20 0 GEADMM CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000312472787 602327065 /nfs/dbraw/zinc/32/70/65/602327065.db2.gz HAAIDMIEDXUSOQ-LJQANCHMSA-N -1 1 388.489 2.421 20 0 GEADMM CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000312472787 602327066 /nfs/dbraw/zinc/32/70/66/602327066.db2.gz HAAIDMIEDXUSOQ-LJQANCHMSA-N -1 1 388.489 2.421 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000739879534 602364007 /nfs/dbraw/zinc/36/40/07/602364007.db2.gz NMMJMVKKRUYKBW-MRXNPFEDSA-N -1 1 381.392 2.105 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)[C@H](NC(=O)[O-])c3ccccc3)n[nH]2)cc1 ZINC000739879534 602364008 /nfs/dbraw/zinc/36/40/08/602364008.db2.gz NMMJMVKKRUYKBW-MRXNPFEDSA-N -1 1 381.392 2.105 20 0 GEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)[O-])cn2)CC1 ZINC000739736908 602366267 /nfs/dbraw/zinc/36/62/67/602366267.db2.gz SFDINJXTZLMYBE-UAGQMJEPSA-N -1 1 387.484 2.083 20 0 GEADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738624472 602383295 /nfs/dbraw/zinc/38/32/95/602383295.db2.gz LFINOISAEUKGEG-PBHICJAKSA-N -1 1 375.469 2.337 20 0 GEADMM C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738620535 602399351 /nfs/dbraw/zinc/39/93/51/602399351.db2.gz VRVSEFZDRJAIOL-STQMWFEESA-N -1 1 380.420 2.184 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000739029661 602447630 /nfs/dbraw/zinc/44/76/30/602447630.db2.gz WIWPMXXAEGHYQB-CYBMUJFWSA-N -1 1 383.876 2.203 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000740172996 602449283 /nfs/dbraw/zinc/44/92/83/602449283.db2.gz LVGWNYJTFDDGMF-HOTGVXAUSA-N -1 1 377.485 2.247 20 0 GEADMM COc1ccc(CCC(=O)N2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000739896473 602451999 /nfs/dbraw/zinc/45/19/99/602451999.db2.gz WDFXNMSWNTZDQP-SFHVURJKSA-N -1 1 389.496 2.162 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000739003116 602460385 /nfs/dbraw/zinc/46/03/85/602460385.db2.gz RSHSJDWDNHVFDQ-DNVCBOLYSA-N -1 1 389.496 2.079 20 0 GEADMM CC(=O)Nc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824005038 607571443 /nfs/dbraw/zinc/57/14/43/607571443.db2.gz JIFBKCVYWGPRHQ-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM CC(=O)Nc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824005038 607571444 /nfs/dbraw/zinc/57/14/44/607571444.db2.gz JIFBKCVYWGPRHQ-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738235262 602540975 /nfs/dbraw/zinc/54/09/75/602540975.db2.gz RKQMZJBZGJIDJQ-UHFFFAOYSA-N -1 1 389.500 2.353 20 0 GEADMM CCCN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354807 602543911 /nfs/dbraw/zinc/54/39/11/602543911.db2.gz SLHYIYGUPQQOKO-IEBWSBKVSA-N -1 1 388.512 2.093 20 0 GEADMM C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])N1CCc2ccccc2C1 ZINC000738939907 602566061 /nfs/dbraw/zinc/56/60/61/602566061.db2.gz PHRPFLKVLVDESO-OXJNMPFZSA-N -1 1 381.476 2.428 20 0 GEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])CC2)c1 ZINC000739983251 602595166 /nfs/dbraw/zinc/59/51/66/602595166.db2.gz GDKRCKFQBBTCQU-UHFFFAOYSA-N -1 1 397.435 2.485 20 0 GEADMM COc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826216411 607575380 /nfs/dbraw/zinc/57/53/80/607575380.db2.gz XOHQRCFPTRNQCI-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM COc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826216411 607575382 /nfs/dbraw/zinc/57/53/82/607575382.db2.gz XOHQRCFPTRNQCI-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM CCCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739355019 602611168 /nfs/dbraw/zinc/61/11/68/602611168.db2.gz ZSLGPQOMXJGBOW-AEFFLSMTSA-N -1 1 392.500 2.472 20 0 GEADMM CN(C[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1)C(=O)[O-] ZINC000739652498 602620634 /nfs/dbraw/zinc/62/06/34/602620634.db2.gz VXCYEVTYKVKTSK-MRXNPFEDSA-N -1 1 392.475 2.431 20 0 GEADMM CN(Cc1ccccc1NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-] ZINC000739715873 602654257 /nfs/dbraw/zinc/65/42/57/602654257.db2.gz RZBVBVVZQNAMLS-UHFFFAOYSA-N -1 1 376.390 2.268 20 0 GEADMM O=C([O-])N1CCC[C@@H](N(Cc2ccccc2)Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000740515818 602680058 /nfs/dbraw/zinc/68/00/58/602680058.db2.gz VANMOUHNDVHHTB-QGZVFWFLSA-N -1 1 381.436 2.167 20 0 GEADMM CC[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)N1CCc2ccccc2C1 ZINC000739257622 602697674 /nfs/dbraw/zinc/69/76/74/602697674.db2.gz INPYZPPHOUOTJA-OAHLLOKOSA-N -1 1 388.493 2.477 20 0 GEADMM CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739627489 602705146 /nfs/dbraw/zinc/70/51/46/602705146.db2.gz PEFIMGAHNBLVRZ-NSHDSACASA-N -1 1 385.262 2.104 20 0 GEADMM CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825632364 607581783 /nfs/dbraw/zinc/58/17/83/607581783.db2.gz PNTYAMVQGUZZHO-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)CC1 ZINC000739454635 602743998 /nfs/dbraw/zinc/74/39/98/602743998.db2.gz DKWSLZAUEZCOTK-HNNXBMFYSA-N -1 1 375.473 2.045 20 0 GEADMM CC(C)N(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824288305 607584759 /nfs/dbraw/zinc/58/47/59/607584759.db2.gz CJIOADMYDWLBBV-UHFFFAOYSA-N -1 1 375.376 2.447 20 0 GEADMM COCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826164879 607585805 /nfs/dbraw/zinc/58/58/05/607585805.db2.gz VDIVDMMEQMDWFK-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000739453957 602793662 /nfs/dbraw/zinc/79/36/62/602793662.db2.gz BIKMDHADODULEA-MRXNPFEDSA-N -1 1 377.489 2.242 20 0 GEADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739129569 602818599 /nfs/dbraw/zinc/81/85/99/602818599.db2.gz CEPXCAMFAQWNGM-RDTXWAMCSA-N -1 1 392.475 2.478 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])c1ccccc1Cl ZINC000739405824 602835251 /nfs/dbraw/zinc/83/52/51/602835251.db2.gz DSHVHOSVYVVOOE-HOTGVXAUSA-N -1 1 383.876 2.218 20 0 GEADMM C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000824899342 607591621 /nfs/dbraw/zinc/59/16/21/607591621.db2.gz JHUILCKZBUJDRY-CABZTGNLSA-N -1 1 377.401 2.201 20 0 GEADMM Cc1ccc([C@H](CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])N2CCCC2)o1 ZINC000740119855 602880775 /nfs/dbraw/zinc/88/07/75/602880775.db2.gz ZOHAOTBWVDAECJ-HOTGVXAUSA-N -1 1 379.457 2.000 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])N2CCCC2)o1 ZINC000740119859 602880793 /nfs/dbraw/zinc/88/07/93/602880793.db2.gz ZOHAOTBWVDAECJ-JKSUJKDBSA-N -1 1 379.457 2.000 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945244 602956425 /nfs/dbraw/zinc/95/64/25/602956425.db2.gz IXUBFYUCPQXIKH-RDJZCZTQSA-N -1 1 378.473 2.130 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820860565 607598378 /nfs/dbraw/zinc/59/83/78/607598378.db2.gz KAMOOEOYGZDFFG-GUYCJALGSA-N -1 1 394.435 2.150 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820860565 607598379 /nfs/dbraw/zinc/59/83/79/607598379.db2.gz KAMOOEOYGZDFFG-GUYCJALGSA-N -1 1 394.435 2.150 20 0 GEADMM O=C([O-])N1CC[C@@H](CN(CCO)Cc2cc(Br)ccc2F)C1 ZINC000740498517 602981514 /nfs/dbraw/zinc/98/15/14/602981514.db2.gz TVILYFDQITVTKG-NSHDSACASA-N -1 1 375.238 2.382 20 0 GEADMM Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292267 607598862 /nfs/dbraw/zinc/59/88/62/607598862.db2.gz NVLMVFDVNFTSLS-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292267 607598863 /nfs/dbraw/zinc/59/88/63/607598863.db2.gz NVLMVFDVNFTSLS-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM CC(C)c1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000824343083 607599759 /nfs/dbraw/zinc/59/97/59/607599759.db2.gz VSYGGUULSDSSCE-UHFFFAOYSA-N -1 1 390.407 2.323 20 0 GEADMM CC(C)c1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000824343083 607599761 /nfs/dbraw/zinc/59/97/61/607599761.db2.gz VSYGGUULSDSSCE-UHFFFAOYSA-N -1 1 390.407 2.323 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)N2CCCC2)cc1 ZINC000829313114 603003258 /nfs/dbraw/zinc/00/32/58/603003258.db2.gz ZYVLMWKAXBLCHP-YJBOKZPZSA-N -1 1 390.484 2.226 20 0 GEADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000825879756 607601633 /nfs/dbraw/zinc/60/16/33/607601633.db2.gz RBYUKRMNOVODAD-UHFFFAOYSA-N -1 1 392.872 2.065 20 0 GEADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000825879756 607601635 /nfs/dbraw/zinc/60/16/35/607601635.db2.gz RBYUKRMNOVODAD-UHFFFAOYSA-N -1 1 392.872 2.065 20 0 GEADMM Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305052 607603582 /nfs/dbraw/zinc/60/35/82/607603582.db2.gz ITYGHXMKDSDRIC-CQSZACIVSA-N -1 1 389.412 2.116 20 0 GEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)Cc3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000823865874 603078722 /nfs/dbraw/zinc/07/87/22/603078722.db2.gz YWQDWRYFTRFTRM-AWEZNQCLSA-N -1 1 387.440 2.335 20 0 GEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)Cc3ccc(NC(=O)[O-])cc3)CCO2)[nH]1 ZINC000823865874 603078727 /nfs/dbraw/zinc/07/87/27/603078727.db2.gz YWQDWRYFTRFTRM-AWEZNQCLSA-N -1 1 387.440 2.335 20 0 GEADMM CN1CCN(c2ccccc2NC(=O)NC2CCC(NC(=O)[O-])CC2)CC1 ZINC000739736666 603090384 /nfs/dbraw/zinc/09/03/84/603090384.db2.gz OECCJTSGDVHGRE-UHFFFAOYSA-N -1 1 375.473 2.139 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000824029726 607606179 /nfs/dbraw/zinc/60/61/79/607606179.db2.gz QJMHZWSEWVVUCR-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000824029726 607606180 /nfs/dbraw/zinc/60/61/80/607606180.db2.gz QJMHZWSEWVVUCR-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)Nc3cccc(CNC(=O)[O-])c3)c2)CC1 ZINC000739736736 603098513 /nfs/dbraw/zinc/09/85/13/603098513.db2.gz PQIMKMWQNHIFNH-UHFFFAOYSA-N -1 1 382.464 2.454 20 0 GEADMM COc1ccccc1C(C)(C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826218928 607606860 /nfs/dbraw/zinc/60/68/60/607606860.db2.gz OJNCEKLHMAONMW-UHFFFAOYSA-N -1 1 391.428 2.228 20 0 GEADMM COc1ccccc1C(C)(C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826218928 607606861 /nfs/dbraw/zinc/60/68/61/607606861.db2.gz OJNCEKLHMAONMW-UHFFFAOYSA-N -1 1 391.428 2.228 20 0 GEADMM CC(=O)Nc1ccc(C)cc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823999987 607607679 /nfs/dbraw/zinc/60/76/79/607607679.db2.gz PTKHFTRYNAWYRM-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM CC(=O)Nc1ccc(C)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000823999987 607607681 /nfs/dbraw/zinc/60/76/81/607607681.db2.gz PTKHFTRYNAWYRM-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1 ZINC000739792456 603182956 /nfs/dbraw/zinc/18/29/56/603182956.db2.gz ODAVKSXTAVRWRJ-UHFFFAOYSA-N -1 1 390.417 2.310 20 0 GEADMM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820054522 607613405 /nfs/dbraw/zinc/61/34/05/607613405.db2.gz AELAQHWQUOHZRW-AWEZNQCLSA-N -1 1 390.444 2.244 20 0 GEADMM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820054522 607613406 /nfs/dbraw/zinc/61/34/06/607613406.db2.gz AELAQHWQUOHZRW-AWEZNQCLSA-N -1 1 390.444 2.244 20 0 GEADMM O=C(Cc1cc(Br)ccc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826421304 607614344 /nfs/dbraw/zinc/61/43/44/607614344.db2.gz AYTSVRAUIRZWIC-UHFFFAOYSA-N -1 1 392.188 2.449 20 0 GEADMM O=C(Cc1cc(Br)ccc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826421304 607614345 /nfs/dbraw/zinc/61/43/45/607614345.db2.gz AYTSVRAUIRZWIC-UHFFFAOYSA-N -1 1 392.188 2.449 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000826467384 607614451 /nfs/dbraw/zinc/61/44/51/607614451.db2.gz UEWIZLGYWWFSAW-UHFFFAOYSA-N -1 1 390.359 2.209 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000826467384 607614452 /nfs/dbraw/zinc/61/44/52/607614452.db2.gz UEWIZLGYWWFSAW-UHFFFAOYSA-N -1 1 390.359 2.209 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488507 607617262 /nfs/dbraw/zinc/61/72/62/607617262.db2.gz RJYLXVJPIPSUBD-UFBFGSQYSA-N -1 1 395.366 2.118 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488507 607617264 /nfs/dbraw/zinc/61/72/64/607617264.db2.gz RJYLXVJPIPSUBD-UFBFGSQYSA-N -1 1 395.366 2.118 20 0 GEADMM Cc1cccnc1[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC000826308391 607617505 /nfs/dbraw/zinc/61/75/05/607617505.db2.gz XFQMGRZUSRZJJJ-OAHLLOKOSA-N -1 1 390.444 2.385 20 0 GEADMM Cc1cccnc1[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC000826308391 607617507 /nfs/dbraw/zinc/61/75/07/607617507.db2.gz XFQMGRZUSRZJJJ-OAHLLOKOSA-N -1 1 390.444 2.385 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827228051 603259796 /nfs/dbraw/zinc/25/97/96/603259796.db2.gz KUJJDJXHBAXKHA-CVEARBPZSA-N -1 1 389.500 2.386 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000824158359 607617760 /nfs/dbraw/zinc/61/77/60/607617760.db2.gz TUNGMJLFPMJNJL-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824079581 607617773 /nfs/dbraw/zinc/61/77/73/607617773.db2.gz PPSQGRXCVGEBHK-ABAIWWIYSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824079581 607617774 /nfs/dbraw/zinc/61/77/74/607617774.db2.gz PPSQGRXCVGEBHK-ABAIWWIYSA-N -1 1 397.476 2.125 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000739182095 603269810 /nfs/dbraw/zinc/26/98/10/603269810.db2.gz MEBPWUOJPKIKGJ-ZENOOKHLSA-N -1 1 383.876 2.264 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739962095 603283248 /nfs/dbraw/zinc/28/32/48/603283248.db2.gz UOVWITLQVZIAAU-RDJZCZTQSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000829361911 603284500 /nfs/dbraw/zinc/28/45/00/603284500.db2.gz HPLYYPUBICTXPA-QGZVFWFLSA-N -1 1 375.469 2.262 20 0 GEADMM Cc1nc(C(C)(C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)sc1C ZINC000826323547 607620112 /nfs/dbraw/zinc/62/01/12/607620112.db2.gz IKTOFIPBZCCMCK-UHFFFAOYSA-N -1 1 396.473 2.293 20 0 GEADMM Cc1nc(C(C)(C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)sc1C ZINC000826323547 607620113 /nfs/dbraw/zinc/62/01/13/607620113.db2.gz IKTOFIPBZCCMCK-UHFFFAOYSA-N -1 1 396.473 2.293 20 0 GEADMM O=S(=O)(NC1(c2ccccc2F)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488537 607620834 /nfs/dbraw/zinc/62/08/34/607620834.db2.gz SEGSLBDRKVTIOE-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM CC(C)[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)N1CCN(C)CC1 ZINC000738788771 603312619 /nfs/dbraw/zinc/31/26/19/603312619.db2.gz GECKEPBARHRQQD-INIZCTEOSA-N -1 1 382.892 2.432 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000825427774 603363972 /nfs/dbraw/zinc/36/39/72/603363972.db2.gz ZAYLEFOJNGSMRQ-CRAIPNDOSA-N -1 1 391.516 2.409 20 0 GEADMM COc1cccc(CN2CCC(NC(=O)c3ccc(CNC(=O)[O-])o3)CC2)c1 ZINC000829560044 603371296 /nfs/dbraw/zinc/37/12/96/603371296.db2.gz OBFWAXJJAQPUMF-UHFFFAOYSA-N -1 1 387.436 2.450 20 0 GEADMM CCN(CC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C(=O)[O-] ZINC000739396186 603381724 /nfs/dbraw/zinc/38/17/24/603381724.db2.gz PJBFCZNLUFZTMG-UHFFFAOYSA-N -1 1 376.457 2.440 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)CC1 ZINC000736767987 603421476 /nfs/dbraw/zinc/42/14/76/603421476.db2.gz HUNMVUDMZNTAME-UHFFFAOYSA-N -1 1 388.468 2.438 20 0 GEADMM C[C@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823669509 603426155 /nfs/dbraw/zinc/42/61/55/603426155.db2.gz OGCUDYYNTMZARV-YTQUADARSA-N -1 1 389.496 2.345 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)N1CCCC1 ZINC000829593406 603429491 /nfs/dbraw/zinc/42/94/91/603429491.db2.gz ZOMCGBJWWMOFHG-VYDXJSESSA-N -1 1 375.469 2.385 20 0 GEADMM Cc1nc([C@H]2CN(C(=O)Nc3ccc4c(c3)CCCN4C(=O)[O-])CCO2)n[nH]1 ZINC000830678433 603454746 /nfs/dbraw/zinc/45/47/46/603454746.db2.gz OMXIKPMPBGZNJX-OAHLLOKOSA-N -1 1 386.412 2.149 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)C(=O)[O-] ZINC000827187151 603455241 /nfs/dbraw/zinc/45/52/41/603455241.db2.gz RGEBRJXXTFXTDQ-OAHLLOKOSA-N -1 1 388.428 2.218 20 0 GEADMM O=C([O-])N[C@@H](CC(=O)NCCN1CCc2ccccc2C1)Cc1ccccc1 ZINC000832099946 603458758 /nfs/dbraw/zinc/45/87/58/603458758.db2.gz QTGVKEATJJMQIU-HXUWFJFHSA-N -1 1 381.476 2.430 20 0 GEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3cccc(CNC(=O)[O-])c3)CCO2)n[nH]1 ZINC000826953956 603471430 /nfs/dbraw/zinc/47/14/30/603471430.db2.gz MXCCFGMCUOPZFJ-AWEZNQCLSA-N -1 1 388.428 2.130 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cccc(CNC(=O)[O-])c3)CCO2)n1 ZINC000826953956 603471433 /nfs/dbraw/zinc/47/14/33/603471433.db2.gz MXCCFGMCUOPZFJ-AWEZNQCLSA-N -1 1 388.428 2.130 20 0 GEADMM CCC(CC)[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)OC ZINC000825097373 607635007 /nfs/dbraw/zinc/63/50/07/607635007.db2.gz WBCRHXHUGVKVPB-CYBMUJFWSA-N -1 1 394.501 2.260 20 0 GEADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828624215 603548708 /nfs/dbraw/zinc/54/87/08/603548708.db2.gz LTWKNMZBWHLZRL-BCYZHJNNSA-N -1 1 390.480 2.032 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3CN(C)C(=O)[O-])n[nH]2)cc1OC ZINC000829234981 603551571 /nfs/dbraw/zinc/55/15/71/603551571.db2.gz XFBWYDQYJZKAFC-CYBMUJFWSA-N -1 1 388.424 2.308 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827227584 603568244 /nfs/dbraw/zinc/56/82/44/603568244.db2.gz GQHSOMDKFWTPJA-AWEZNQCLSA-N -1 1 392.475 2.145 20 0 GEADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828235336 603588734 /nfs/dbraw/zinc/58/87/34/603588734.db2.gz GPKZDXOLTZCXKT-IEBWSBKVSA-N -1 1 387.480 2.256 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCOc2ccccc21 ZINC000826233048 607638885 /nfs/dbraw/zinc/63/88/85/607638885.db2.gz RVEQFBDJDJNJAQ-UHFFFAOYSA-N -1 1 394.435 2.332 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CN(C1CC1)C1CCCC1)C2=O ZINC000832500144 603595560 /nfs/dbraw/zinc/59/55/60/603595560.db2.gz VFTBQPMJGSXZHQ-BFUOFWGJSA-N -1 1 378.473 2.099 20 0 GEADMM CN(C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)C1CCC(NC(=O)[O-])CC1 ZINC000827938947 603605978 /nfs/dbraw/zinc/60/59/78/603605978.db2.gz UGGJMOVDYNCVER-UHFFFAOYSA-N -1 1 376.438 2.275 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)NC1CCN(Cc2ccccn2)CC1)NC(=O)[O-] ZINC000824086935 603619564 /nfs/dbraw/zinc/61/95/64/603619564.db2.gz WGZKMMIEULZJPE-GOSISDBHSA-N -1 1 391.516 2.370 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000832506555 603700114 /nfs/dbraw/zinc/70/01/14/603700114.db2.gz QSALYEZKIGPEQO-MAUKXSAKSA-N -1 1 389.500 2.172 20 0 GEADMM Cc1cnc([C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C2CC2)s1 ZINC000826317489 607649567 /nfs/dbraw/zinc/64/95/67/607649567.db2.gz DWWHHKVWPMXFTL-CYBMUJFWSA-N -1 1 394.457 2.200 20 0 GEADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[C@@H](C)O1 ZINC000826050274 603861251 /nfs/dbraw/zinc/86/12/51/603861251.db2.gz VFGHHNGQZWJRII-JSUOXNSUSA-N -1 1 393.528 2.398 20 0 GEADMM COc1cccc([C@@H](CNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829543598 603864930 /nfs/dbraw/zinc/86/49/30/603864930.db2.gz NHFMBNCEJHVUND-YLJYHZDGSA-N -1 1 375.469 2.338 20 0 GEADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCCC2 ZINC000825581840 607656532 /nfs/dbraw/zinc/65/65/32/607656532.db2.gz DYGSYGCAAOVLDI-LSDHHAIUSA-N -1 1 395.460 2.022 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)N2CCCC2)c1 ZINC000829543201 603890552 /nfs/dbraw/zinc/89/05/52/603890552.db2.gz GLFUDNYKXPBFKR-CRAIPNDOSA-N -1 1 390.484 2.226 20 0 GEADMM Cc1nc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c2ccccn12 ZINC000830703472 603915646 /nfs/dbraw/zinc/91/56/46/603915646.db2.gz FIKYONKVZSDWDT-UHFFFAOYSA-N -1 1 391.391 2.448 20 0 GEADMM Cc1nc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c2ccccn12 ZINC000830703472 603915647 /nfs/dbraw/zinc/91/56/47/603915647.db2.gz FIKYONKVZSDWDT-UHFFFAOYSA-N -1 1 391.391 2.448 20 0 GEADMM O=S(=O)(NCCOCc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491418 607660401 /nfs/dbraw/zinc/66/04/01/607660401.db2.gz IRBYUMHWZNALMO-UHFFFAOYSA-N -1 1 393.856 2.015 20 0 GEADMM O=S(=O)(NCCOCc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491418 607660403 /nfs/dbraw/zinc/66/04/03/607660403.db2.gz IRBYUMHWZNALMO-UHFFFAOYSA-N -1 1 393.856 2.015 20 0 GEADMM CCS[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825669028 607662423 /nfs/dbraw/zinc/66/24/23/607662423.db2.gz OMLBWYWFWVTWTL-MNOVXSKESA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825669028 607662425 /nfs/dbraw/zinc/66/24/25/607662425.db2.gz OMLBWYWFWVTWTL-MNOVXSKESA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825668785 607662440 /nfs/dbraw/zinc/66/24/40/607662440.db2.gz KBWCPIVIMGVCGA-VXGBXAGGSA-N -1 1 385.490 2.348 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CCN1CCOC ZINC000826683668 603976562 /nfs/dbraw/zinc/97/65/62/603976562.db2.gz XESJLJFAVTVLIN-CQSZACIVSA-N -1 1 376.457 2.302 20 0 GEADMM CCN(CC1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1)C(=O)[O-] ZINC000827069658 603992305 /nfs/dbraw/zinc/99/23/05/603992305.db2.gz DBLNEDLTGJJUJG-UHFFFAOYSA-N -1 1 388.512 2.466 20 0 GEADMM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000826758353 604014585 /nfs/dbraw/zinc/01/45/85/604014585.db2.gz NYGACMPKHVAGOV-MRXNPFEDSA-N -1 1 378.473 2.212 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000827418055 604015131 /nfs/dbraw/zinc/01/51/31/604015131.db2.gz JOMXBNJLFNRWLZ-UHFFFAOYSA-N -1 1 390.484 2.166 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N(C)C2CCN(C(=O)[O-])CC2)N(C)C)c1 ZINC000829543200 604022490 /nfs/dbraw/zinc/02/24/90/604022490.db2.gz GKSTVPJHAYSBDZ-QGZVFWFLSA-N -1 1 378.473 2.082 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000826495468 607668509 /nfs/dbraw/zinc/66/85/09/607668509.db2.gz QAXVMEGDDMFFOZ-LLVKDONJSA-N -1 1 393.860 2.159 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000826495468 607668510 /nfs/dbraw/zinc/66/85/10/607668510.db2.gz QAXVMEGDDMFFOZ-LLVKDONJSA-N -1 1 393.860 2.159 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCN(C)CC2)C1 ZINC000825237285 604061783 /nfs/dbraw/zinc/06/17/83/604061783.db2.gz SRXYFXIQHICLGO-JKSUJKDBSA-N -1 1 389.500 2.338 20 0 GEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828218757 604094460 /nfs/dbraw/zinc/09/44/60/604094460.db2.gz VIHFFDFILKVPGU-CQSZACIVSA-N -1 1 385.411 2.321 20 0 GEADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000825427802 604147104 /nfs/dbraw/zinc/14/71/04/604147104.db2.gz ZINNNODJKJMSLG-HUUCEWRRSA-N -1 1 376.457 2.201 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000825427803 604147133 /nfs/dbraw/zinc/14/71/33/604147133.db2.gz ZINNNODJKJMSLG-LSDHHAIUSA-N -1 1 376.457 2.201 20 0 GEADMM COc1ccc(CNC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1OC ZINC000829372406 604186069 /nfs/dbraw/zinc/18/60/69/604186069.db2.gz RBNJXBOXIWPWGP-YCPHGPKFSA-N -1 1 393.484 2.077 20 0 GEADMM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255979 604190012 /nfs/dbraw/zinc/19/00/12/604190012.db2.gz STLYFIMZISOQIT-KLZNWCGWSA-N -1 1 375.469 2.383 20 0 GEADMM CCOC(=O)CCC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000825506831 607679679 /nfs/dbraw/zinc/67/96/79/607679679.db2.gz 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C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000825383148 604439291 /nfs/dbraw/zinc/43/92/91/604439291.db2.gz LYSVKDPKZZVZKK-HNNXBMFYSA-N -1 1 390.484 2.021 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCCCCN1CCOCC1)c1ccccc1 ZINC000826095773 604462320 /nfs/dbraw/zinc/46/23/20/604462320.db2.gz NHSCFDRRIGCVTA-KRWDZBQOSA-N -1 1 377.485 2.250 20 0 GEADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCN(CCc2ccccc2)CC1 ZINC000833701605 604472759 /nfs/dbraw/zinc/47/27/59/604472759.db2.gz LLMXSIJVSAPJAM-HXUWFJFHSA-N -1 1 382.460 2.459 20 0 GEADMM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000826095599 604521954 /nfs/dbraw/zinc/52/19/54/604521954.db2.gz LXDWFCPGCUCMFZ-KZNAEPCWSA-N -1 1 389.496 2.079 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000827948222 604527715 /nfs/dbraw/zinc/52/77/15/604527715.db2.gz AXZNUSZDHOKDNU-IUODEOHRSA-N -1 1 387.461 2.337 20 0 GEADMM C[C@@H](C1CC1)N(C(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CC1 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LBRQWLOHKVQOLD-LLVKDONJSA-N -1 1 396.241 2.401 20 0 GEADMM CN(C)S(=O)(=O)c1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000830626864 604785946 /nfs/dbraw/zinc/78/59/46/604785946.db2.gz SJDYHTZVPCRASS-UHFFFAOYSA-N -1 1 380.466 2.397 20 0 GEADMM CCCCCC[C@H](C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825271389 607716010 /nfs/dbraw/zinc/71/60/10/607716010.db2.gz IOTUXTWDOCBUSE-ZDUSSCGKSA-N -1 1 397.483 2.360 20 0 GEADMM CCc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000825712903 607716906 /nfs/dbraw/zinc/71/69/06/607716906.db2.gz XCOVPNAWKLLFMN-UHFFFAOYSA-N -1 1 389.419 2.086 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N(CC(C)C)CC(C)C ZINC000826295037 607718322 /nfs/dbraw/zinc/71/83/22/607718322.db2.gz NVRQDCGFGKGAJD-UHFFFAOYSA-N -1 1 397.483 2.026 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000833416830 604856570 /nfs/dbraw/zinc/85/65/70/604856570.db2.gz GKODNPQXXRJOOG-XHDPSFHLSA-N -1 1 380.391 2.420 20 0 GEADMM CC(C)C(=O)Nc1nc(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cs1 ZINC000833467191 604869054 /nfs/dbraw/zinc/86/90/54/604869054.db2.gz SPBSAFHEIDGHJN-UHFFFAOYSA-N -1 1 387.421 2.493 20 0 GEADMM CCc1[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)c1C(=O)[O-] ZINC000830191857 604917184 /nfs/dbraw/zinc/91/71/84/604917184.db2.gz KFIPCWYSINNVAF-AEFFLSMTSA-N -1 1 399.491 2.197 20 0 GEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)NC3CCN(Cc4ccccn4)CC3)cc21 ZINC000833769800 604920348 /nfs/dbraw/zinc/92/03/48/604920348.db2.gz LKRZFIDZWWPBOE-UHFFFAOYSA-N -1 1 394.435 2.442 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000833421576 604943326 /nfs/dbraw/zinc/94/33/26/604943326.db2.gz RYVFEXYYHFCKEL-NSHDSACASA-N -1 1 393.509 2.097 20 0 GEADMM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000833265424 604952220 /nfs/dbraw/zinc/95/22/20/604952220.db2.gz AOLQJGHSCVCOFF-ICSRJNTNSA-N -1 1 397.475 2.318 20 0 GEADMM CCCc1nc([C@@H]2CN(C(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000826954026 604966022 /nfs/dbraw/zinc/96/60/22/604966022.db2.gz NOUOMLYQJOVEHP-ZFWWWQNUSA-N -1 1 393.488 2.073 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)CCO2)n1 ZINC000826954026 604966027 /nfs/dbraw/zinc/96/60/27/604966027.db2.gz NOUOMLYQJOVEHP-ZFWWWQNUSA-N -1 1 393.488 2.073 20 0 GEADMM COC(=O)c1cc(NC(=O)CN2CCCC[C@H](SC)C2)cc(C(=O)[O-])c1 ZINC000833715348 604966289 /nfs/dbraw/zinc/96/62/89/604966289.db2.gz UEAGPQFIWZVWNG-HNNXBMFYSA-N -1 1 380.466 2.327 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H]3CN(C)C(=O)[O-])n2)cc1 ZINC000830159844 604968645 /nfs/dbraw/zinc/96/86/45/604968645.db2.gz IOBWHVISNDRAHR-AWEZNQCLSA-N -1 1 389.481 2.473 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)C(=O)[O-] ZINC000833637112 604973012 /nfs/dbraw/zinc/97/30/12/604973012.db2.gz CGFNMXMYFSYKMQ-CZANMRCUSA-N -1 1 380.460 2.329 20 0 GEADMM Cc1cc(S(=O)(=O)NCCN[C@@H](C(=O)[O-])c2ccccc2F)c(C)s1 ZINC000832903852 605008666 /nfs/dbraw/zinc/00/86/66/605008666.db2.gz UHMAISYQAVKYND-OAHLLOKOSA-N -1 1 386.470 2.198 20 0 GEADMM Cc1cc(S(=O)(=O)NCCN[C@H](C(=O)[O-])c2ccccc2F)c(C)s1 ZINC000832903851 605008734 /nfs/dbraw/zinc/00/87/34/605008734.db2.gz UHMAISYQAVKYND-HNNXBMFYSA-N -1 1 386.470 2.198 20 0 GEADMM COCC1(C)CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)CC1 ZINC000833722672 605020319 /nfs/dbraw/zinc/02/03/19/605020319.db2.gz BCAIWUQYCAQWCY-CYBMUJFWSA-N -1 1 392.452 2.247 20 0 GEADMM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc3nc(C(F)F)[nH]c3c1)CC2 ZINC000833769849 605028397 /nfs/dbraw/zinc/02/83/97/605028397.db2.gz MWHVFPAMUIDSPY-SNVBAGLBSA-N -1 1 392.362 2.152 20 0 GEADMM C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833548756 605028851 /nfs/dbraw/zinc/02/88/51/605028851.db2.gz MGGBIQSNEVBJAQ-LBPRGKRZSA-N -1 1 395.506 2.345 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833598136 605047345 /nfs/dbraw/zinc/04/73/45/605047345.db2.gz OLPBYBGZPNZYTC-BBRMVZONSA-N -1 1 392.452 2.465 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CN1Cc1ccccc1 ZINC000833598178 605047498 /nfs/dbraw/zinc/04/74/98/605047498.db2.gz PBHJCNIKFZMZAE-ZFWWWQNUSA-N -1 1 392.452 2.465 20 0 GEADMM COc1ccc(CC[C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833731468 605048764 /nfs/dbraw/zinc/04/87/64/605048764.db2.gz DBRQEZMQBFSBLW-CVEARBPZSA-N -1 1 377.485 2.207 20 0 GEADMM CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000326827400 605052241 /nfs/dbraw/zinc/05/22/41/605052241.db2.gz ZFIOXPOLSGQZDC-UHFFFAOYSA-N -1 1 383.447 2.288 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000833767392 605077327 /nfs/dbraw/zinc/07/73/27/605077327.db2.gz CKFQVPDZHMWASJ-HNNXBMFYSA-N -1 1 399.476 2.048 20 0 GEADMM CC(C)(C)Cc1nc(-c2cccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c2)no1 ZINC000833431534 605079799 /nfs/dbraw/zinc/07/97/99/605079799.db2.gz PSIWKIUWDZBLPJ-HNNXBMFYSA-N -1 1 397.435 2.474 20 0 GEADMM CC(C)(O)CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000833463842 605082483 /nfs/dbraw/zinc/08/24/83/605082483.db2.gz KSJOGIYYKCZOOG-FQEVSTJZSA-N -1 1 396.487 2.298 20 0 GEADMM C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H](C)CN1Cc1ccccc1 ZINC000646170029 605091053 /nfs/dbraw/zinc/09/10/53/605091053.db2.gz XFELSHJTLMPVJF-IRXDYDNUSA-N -1 1 389.496 2.172 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000833623035 605102466 /nfs/dbraw/zinc/10/24/66/605102466.db2.gz DCIPHUCFFZGTAT-AWEZNQCLSA-N -1 1 376.453 2.263 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000833627561 605109394 /nfs/dbraw/zinc/10/93/94/605109394.db2.gz YSECZTOUAAENAN-CQSZACIVSA-N -1 1 385.420 2.153 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC000833660366 605114045 /nfs/dbraw/zinc/11/40/45/605114045.db2.gz JKWLGQMGGSDSDI-UHFFFAOYSA-N -1 1 384.436 2.183 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000833626140 605115767 /nfs/dbraw/zinc/11/57/67/605115767.db2.gz OFLWZUSYKUSIJT-LBPRGKRZSA-N -1 1 396.875 2.055 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000833640560 605120654 /nfs/dbraw/zinc/12/06/54/605120654.db2.gz ZUQHWLPVETZULW-NJSLBKSFSA-N -1 1 375.469 2.080 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)N1CCCC[C@@H]1C ZINC000833615794 605135565 /nfs/dbraw/zinc/13/55/65/605135565.db2.gz RQENDYOADJNTMM-GJZGRUSLSA-N -1 1 380.510 2.344 20 0 GEADMM CC(C)(O)CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000833463496 605136275 /nfs/dbraw/zinc/13/62/75/605136275.db2.gz HWWPUPUXOGZFMK-UHFFFAOYSA-N -1 1 389.374 2.324 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)nn1-c1ccccc1Cl ZINC000833742195 605158443 /nfs/dbraw/zinc/15/84/43/605158443.db2.gz HXQFJZXPOJOTJA-AWEZNQCLSA-N -1 1 390.871 2.455 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000833624354 605161909 /nfs/dbraw/zinc/16/19/09/605161909.db2.gz HRQGAFYTPMGZSE-CYBMUJFWSA-N -1 1 376.844 2.147 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000833623157 605164854 /nfs/dbraw/zinc/16/48/54/605164854.db2.gz QYPKHERAEBGTAY-CQSZACIVSA-N -1 1 396.434 2.020 20 0 GEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])C[C@@H]1C ZINC000833655900 605165140 /nfs/dbraw/zinc/16/51/40/605165140.db2.gz HFAFIXZYKCPSDC-GJZGRUSLSA-N -1 1 390.484 2.168 20 0 GEADMM CCN1C[C@@H](C)N(C(=O)Nc2c(C(=O)[O-])cc(OC)c(OC)c2OC)C[C@H]1C ZINC000833656562 605165189 /nfs/dbraw/zinc/16/51/89/605165189.db2.gz JOEHZUCTNUGMLI-VXGBXAGGSA-N -1 1 395.456 2.357 20 0 GEADMM CCOCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825590183 607743650 /nfs/dbraw/zinc/74/36/50/607743650.db2.gz PIHIMDJFBFVZGA-UHFFFAOYSA-N -1 1 385.877 2.005 20 0 GEADMM CCOCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825590183 607743651 /nfs/dbraw/zinc/74/36/51/607743651.db2.gz PIHIMDJFBFVZGA-UHFFFAOYSA-N -1 1 385.877 2.005 20 0 GEADMM C[C@@H](CS(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)C(=O)[O-] ZINC000833517726 605267400 /nfs/dbraw/zinc/26/74/00/605267400.db2.gz CMJLEDWFAHNXJG-GXTWGEPZSA-N -1 1 384.502 2.082 20 0 GEADMM C[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCN1C[C@H](O)c1ccccc1 ZINC000833629135 605296511 /nfs/dbraw/zinc/29/65/11/605296511.db2.gz FKZKLBGEJFVPFS-UWJYYQICSA-N -1 1 384.476 2.390 20 0 GEADMM CC(C)(C)[C@@H]1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000833788977 605329947 /nfs/dbraw/zinc/32/99/47/605329947.db2.gz FYWHJBCIEZWXJC-LPMFXHHGSA-N -1 1 380.489 2.060 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cc(F)ccc2C(C)=O)c1 ZINC000833715109 605333270 /nfs/dbraw/zinc/33/32/70/605333270.db2.gz NXPGDVXFFFZTGD-UHFFFAOYSA-N -1 1 395.364 2.314 20 0 GEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)O1 ZINC000833581702 605350675 /nfs/dbraw/zinc/35/06/75/605350675.db2.gz ZDUMWZRAWNVIMH-KRWDZBQOSA-N -1 1 376.428 2.050 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833790133 605450017 /nfs/dbraw/zinc/45/00/17/605450017.db2.gz MZVISGVTUJQPON-CLWVCHIJSA-N -1 1 389.452 2.153 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833790132 605450635 /nfs/dbraw/zinc/45/06/35/605450635.db2.gz MZVISGVTUJQPON-BFJAYTPKSA-N -1 1 389.452 2.153 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000834190846 605453340 /nfs/dbraw/zinc/45/33/40/605453340.db2.gz XLUATGOMCRAWOM-CWRNSKLLSA-N -1 1 389.452 2.155 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000830084526 605474122 /nfs/dbraw/zinc/47/41/22/605474122.db2.gz JNKMPDARUBKCLJ-HOTGVXAUSA-N -1 1 389.500 2.399 20 0 GEADMM CS(=O)(=O)Nc1ccccc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833737134 605494553 /nfs/dbraw/zinc/49/45/53/605494553.db2.gz ABOBKLWEGALXHJ-OAHLLOKOSA-N -1 1 381.381 2.050 20 0 GEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000834239375 605565270 /nfs/dbraw/zinc/56/52/70/605565270.db2.gz BECKRBJMEWVGBW-OAHLLOKOSA-N -1 1 388.493 2.406 20 0 GEADMM Cc1noc(C)c1[C@@H](C)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826338166 607765901 /nfs/dbraw/zinc/76/59/01/607765901.db2.gz MYNHBHDBZWOWHW-VIFPVBQESA-N -1 1 399.455 2.041 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833790491 605654050 /nfs/dbraw/zinc/65/40/50/605654050.db2.gz OOQJQHWWWFEFGQ-CYBMUJFWSA-N -1 1 377.441 2.454 20 0 GEADMM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000834254600 605683854 /nfs/dbraw/zinc/68/38/54/605683854.db2.gz AGLSIGRHHUJARJ-PKOBYXMFSA-N -1 1 383.448 2.389 20 0 GEADMM O=C([O-])N1CCO[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000834051771 605718076 /nfs/dbraw/zinc/71/80/76/605718076.db2.gz MOQKMTCHXYVFQU-SECBINFHSA-N -1 1 379.594 2.125 20 0 GEADMM O=C([O-])N1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834024668 605820264 /nfs/dbraw/zinc/82/02/64/605820264.db2.gz OTXBBYGHORTAMQ-ZIAGYGMSSA-N -1 1 376.461 2.104 20 0 GEADMM CCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)C1CCN(C(=O)[O-])CC1 ZINC000826878978 605823230 /nfs/dbraw/zinc/82/32/30/605823230.db2.gz FMTJNRXVXJFYPU-UHFFFAOYSA-N -1 1 388.472 2.422 20 0 GEADMM CS(=O)(=O)c1cccc(Oc2ncccc2CN[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000829699576 605854914 /nfs/dbraw/zinc/85/49/14/605854914.db2.gz MDUIJSYWMKTCRD-AWEZNQCLSA-N -1 1 391.449 2.119 20 0 GEADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000834251834 605877946 /nfs/dbraw/zinc/87/79/46/605877946.db2.gz QZGJICDJEARJGW-HNNXBMFYSA-N -1 1 391.391 2.165 20 0 GEADMM N=C(NOCc1coc(-c2cccc(Cl)c2)n1)[C@@H]1COCCN1C(=O)[O-] ZINC000833982389 605924934 /nfs/dbraw/zinc/92/49/34/605924934.db2.gz ZORKXJMJXLJABM-ZDUSSCGKSA-N -1 1 380.788 2.372 20 0 GEADMM CCO[C@@H](CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC000821351222 606030365 /nfs/dbraw/zinc/03/03/65/606030365.db2.gz NJVKMYBZOCPBNA-HNNXBMFYSA-N -1 1 390.488 2.084 20 0 GEADMM Clc1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)nc1-c1nnn[n-]1 ZINC000822573834 606105656 /nfs/dbraw/zinc/10/56/56/606105656.db2.gz JIWLMDPFEMARBY-CYBMUJFWSA-N -1 1 378.864 2.470 20 0 GEADMM Clc1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)nc1-c1nn[n-]n1 ZINC000822573834 606105657 /nfs/dbraw/zinc/10/56/57/606105657.db2.gz JIWLMDPFEMARBY-CYBMUJFWSA-N -1 1 378.864 2.470 20 0 GEADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000821657679 606119040 /nfs/dbraw/zinc/11/90/40/606119040.db2.gz SWZFVOXNRJDOHN-UXBLZVDNSA-N -1 1 399.432 2.162 20 0 GEADMM C[C@@H](CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820513397 606133950 /nfs/dbraw/zinc/13/39/50/606133950.db2.gz ZBSXOMCFVQJGGN-NWDGAFQWSA-N -1 1 385.449 2.393 20 0 GEADMM C[C@@H](CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820513397 606133952 /nfs/dbraw/zinc/13/39/52/606133952.db2.gz ZBSXOMCFVQJGGN-NWDGAFQWSA-N -1 1 385.449 2.393 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1cccc(F)c1 ZINC000820727128 606144003 /nfs/dbraw/zinc/14/40/03/606144003.db2.gz HCNGNMMZWDURRC-BZNIZROVSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1cccc(F)c1 ZINC000820727128 606144004 /nfs/dbraw/zinc/14/40/04/606144004.db2.gz HCNGNMMZWDURRC-BZNIZROVSA-N -1 1 388.428 2.173 20 0 GEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)s1 ZINC000821505537 606160897 /nfs/dbraw/zinc/16/08/97/606160897.db2.gz SLYCGXTVIPONEL-SECBINFHSA-N -1 1 375.462 2.152 20 0 GEADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)s1 ZINC000821505537 606160899 /nfs/dbraw/zinc/16/08/99/606160899.db2.gz SLYCGXTVIPONEL-SECBINFHSA-N -1 1 375.462 2.152 20 0 GEADMM CCCCOc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821077590 606167166 /nfs/dbraw/zinc/16/71/66/606167166.db2.gz MQCORYFSKAUYCO-UHFFFAOYSA-N -1 1 384.444 2.143 20 0 GEADMM CCCCOc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821077590 606167167 /nfs/dbraw/zinc/16/71/67/606167167.db2.gz MQCORYFSKAUYCO-UHFFFAOYSA-N -1 1 384.444 2.143 20 0 GEADMM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820288657 606171868 /nfs/dbraw/zinc/17/18/68/606171868.db2.gz WOMWKBTTZWGJIM-GFCCVEGCSA-N -1 1 398.471 2.487 20 0 GEADMM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820288657 606171869 /nfs/dbraw/zinc/17/18/69/606171869.db2.gz WOMWKBTTZWGJIM-GFCCVEGCSA-N -1 1 398.471 2.487 20 0 GEADMM COc1ccc(CCC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1OC ZINC000821790047 606238301 /nfs/dbraw/zinc/23/83/01/606238301.db2.gz GEDQACJZUHMYIX-UHFFFAOYSA-N -1 1 388.453 2.244 20 0 GEADMM COc1ccc(CCC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1OC ZINC000821790047 606238304 /nfs/dbraw/zinc/23/83/04/606238304.db2.gz GEDQACJZUHMYIX-UHFFFAOYSA-N -1 1 388.453 2.244 20 0 GEADMM COc1ccc(OCCCC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1 ZINC000821842660 606238328 /nfs/dbraw/zinc/23/83/28/606238328.db2.gz VIMIENVZLUYAHQ-UHFFFAOYSA-N -1 1 388.453 2.462 20 0 GEADMM COc1ccc(OCCCC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821842660 606238329 /nfs/dbraw/zinc/23/83/29/606238329.db2.gz VIMIENVZLUYAHQ-UHFFFAOYSA-N -1 1 388.453 2.462 20 0 GEADMM CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCC1 ZINC000819933546 606296340 /nfs/dbraw/zinc/29/63/40/606296340.db2.gz VQQLKJMIFUEAGL-UHFFFAOYSA-N -1 1 388.428 2.348 20 0 GEADMM CCS[C@H]1CCC[C@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821457426 606325808 /nfs/dbraw/zinc/32/58/08/606325808.db2.gz WOLHZSRXNZXMRJ-KGLIPLIRSA-N -1 1 390.513 2.307 20 0 GEADMM Cc1nc2cc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)ccc2n1C ZINC000822223746 606359711 /nfs/dbraw/zinc/35/97/11/606359711.db2.gz ITQAEWWWPKNXNG-UHFFFAOYSA-N -1 1 383.437 2.171 20 0 GEADMM CCC1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCC1 ZINC000820944353 606391854 /nfs/dbraw/zinc/39/18/54/606391854.db2.gz LNRZYZZPYANZFM-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM CCC1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCC1 ZINC000820944353 606391856 /nfs/dbraw/zinc/39/18/56/606391856.db2.gz LNRZYZZPYANZFM-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM COc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)NC2=S)c1 ZINC000821873126 606393739 /nfs/dbraw/zinc/39/37/39/606393739.db2.gz RQBPUDRUCIOWSS-XYOKQWHBSA-N -1 1 384.446 2.199 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CCc1ccco1 ZINC000822005058 606410608 /nfs/dbraw/zinc/41/06/08/606410608.db2.gz NPXIMACUIRDWKE-NSHDSACASA-N -1 1 384.440 2.247 20 0 GEADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000820455247 606442781 /nfs/dbraw/zinc/44/27/81/606442781.db2.gz FWJSYSRPUCSOJU-NSHDSACASA-N -1 1 395.448 2.235 20 0 GEADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000820455247 606442782 /nfs/dbraw/zinc/44/27/82/606442782.db2.gz FWJSYSRPUCSOJU-NSHDSACASA-N -1 1 395.448 2.235 20 0 GEADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000821619360 606466764 /nfs/dbraw/zinc/46/67/64/606466764.db2.gz SNKZUWFCTPPUKQ-ZDUSSCGKSA-N -1 1 387.806 2.296 20 0 GEADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000821619360 606466766 /nfs/dbraw/zinc/46/67/66/606466766.db2.gz SNKZUWFCTPPUKQ-ZDUSSCGKSA-N -1 1 387.806 2.296 20 0 GEADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619102 606471378 /nfs/dbraw/zinc/47/13/78/606471378.db2.gz JRPZQDSBQVZRJY-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619102 606471380 /nfs/dbraw/zinc/47/13/80/606471380.db2.gz JRPZQDSBQVZRJY-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821165097 606491534 /nfs/dbraw/zinc/49/15/34/606491534.db2.gz PCQORMMKOBSURX-UHFFFAOYSA-N -1 1 386.437 2.038 20 0 GEADMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821165097 606491536 /nfs/dbraw/zinc/49/15/36/606491536.db2.gz PCQORMMKOBSURX-UHFFFAOYSA-N -1 1 386.437 2.038 20 0 GEADMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821593784 606508881 /nfs/dbraw/zinc/50/88/81/606508881.db2.gz KEJQYKDBNBJFAR-UHFFFAOYSA-N -1 1 376.829 2.292 20 0 GEADMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821593784 606508882 /nfs/dbraw/zinc/50/88/82/606508882.db2.gz KEJQYKDBNBJFAR-UHFFFAOYSA-N -1 1 376.829 2.292 20 0 GEADMM O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822950270 606523402 /nfs/dbraw/zinc/52/34/02/606523402.db2.gz HVVPFKSDAILQFP-UHFFFAOYSA-N -1 1 388.497 2.183 20 0 GEADMM O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822950270 606523404 /nfs/dbraw/zinc/52/34/04/606523404.db2.gz HVVPFKSDAILQFP-UHFFFAOYSA-N -1 1 388.497 2.183 20 0 GEADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC000820703378 606525772 /nfs/dbraw/zinc/52/57/72/606525772.db2.gz FCXUIINGJQISNK-GFCCVEGCSA-N -1 1 388.497 2.039 20 0 GEADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC000820703378 606525774 /nfs/dbraw/zinc/52/57/74/606525774.db2.gz FCXUIINGJQISNK-GFCCVEGCSA-N -1 1 388.497 2.039 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819933551 606535954 /nfs/dbraw/zinc/53/59/54/606535954.db2.gz VSFJLVRRYJVNHE-LLVKDONJSA-N -1 1 392.485 2.448 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819933551 606535955 /nfs/dbraw/zinc/53/59/55/606535955.db2.gz VSFJLVRRYJVNHE-LLVKDONJSA-N -1 1 392.485 2.448 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1noc(Cc2ccccc2)n1 ZINC000820397015 606546216 /nfs/dbraw/zinc/54/62/16/606546216.db2.gz KHYAYWARKQJOPI-SNVBAGLBSA-N -1 1 381.421 2.393 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1noc(Cc2ccccc2)n1 ZINC000820397015 606546218 /nfs/dbraw/zinc/54/62/18/606546218.db2.gz KHYAYWARKQJOPI-SNVBAGLBSA-N -1 1 381.421 2.393 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(CC)CC ZINC000821362106 606577951 /nfs/dbraw/zinc/57/79/51/606577951.db2.gz YKJAKSRNJCFFGR-CHWSQXEVSA-N -1 1 376.465 2.048 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(CC)CC ZINC000821362106 606577949 /nfs/dbraw/zinc/57/79/49/606577949.db2.gz YKJAKSRNJCFFGR-CHWSQXEVSA-N -1 1 376.465 2.048 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccn1C ZINC000822004991 606578309 /nfs/dbraw/zinc/57/83/09/606578309.db2.gz MXASDEMANALBFD-MRXNPFEDSA-N -1 1 395.467 2.219 20 0 GEADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(C)C ZINC000821071501 606579387 /nfs/dbraw/zinc/57/93/87/606579387.db2.gz GOFMRLBQJZRONJ-OLZOCXBDSA-N -1 1 376.465 2.048 20 0 GEADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(C)C ZINC000821071501 606579389 /nfs/dbraw/zinc/57/93/89/606579389.db2.gz GOFMRLBQJZRONJ-OLZOCXBDSA-N -1 1 376.465 2.048 20 0 GEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000819763686 606603307 /nfs/dbraw/zinc/60/33/07/606603307.db2.gz AFTPYQUUOYHWNO-VQHVLOKHSA-N -1 1 375.339 2.244 20 0 GEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000819763686 606603308 /nfs/dbraw/zinc/60/33/08/606603308.db2.gz AFTPYQUUOYHWNO-VQHVLOKHSA-N -1 1 375.339 2.244 20 0 GEADMM CCc1nn(CC(=O)c2cc(F)c(C)cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517631 606627231 /nfs/dbraw/zinc/62/72/31/606627231.db2.gz LWXDIESPTOXKQK-UHFFFAOYSA-N -1 1 388.378 2.018 20 0 GEADMM Fc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000822771292 606632391 /nfs/dbraw/zinc/63/23/91/606632391.db2.gz FGJNYPRUFOVABN-UHFFFAOYSA-N -1 1 387.394 2.333 20 0 GEADMM Cn1ccnc1SCc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000822698997 606647354 /nfs/dbraw/zinc/64/73/54/606647354.db2.gz KRZFOCPFQWFCAN-UHFFFAOYSA-N -1 1 397.420 2.238 20 0 GEADMM Cn1ccnc1SCc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000822698997 606647355 /nfs/dbraw/zinc/64/73/55/606647355.db2.gz KRZFOCPFQWFCAN-UHFFFAOYSA-N -1 1 397.420 2.238 20 0 GEADMM CC(=O)CCc1ccc(OCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819781655 606651397 /nfs/dbraw/zinc/65/13/97/606651397.db2.gz BXZUNKOEUDHFPP-UHFFFAOYSA-N -1 1 395.419 2.296 20 0 GEADMM CC(=O)CCc1ccc(OCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819781655 606651398 /nfs/dbraw/zinc/65/13/98/606651398.db2.gz BXZUNKOEUDHFPP-UHFFFAOYSA-N -1 1 395.419 2.296 20 0 GEADMM C[C@H]1Sc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2NC1=O ZINC000820819095 606653191 /nfs/dbraw/zinc/65/31/91/606653191.db2.gz DYDWGZOPXUEDLX-SECBINFHSA-N -1 1 382.405 2.051 20 0 GEADMM C[C@H]1Sc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2NC1=O ZINC000820819095 606653192 /nfs/dbraw/zinc/65/31/92/606653192.db2.gz DYDWGZOPXUEDLX-SECBINFHSA-N -1 1 382.405 2.051 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2S1 ZINC000820601151 606711682 /nfs/dbraw/zinc/71/16/82/606711682.db2.gz CXSRSUMRQIDSHN-UHFFFAOYSA-N -1 1 388.478 2.341 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2S1 ZINC000820601151 606711684 /nfs/dbraw/zinc/71/16/84/606711684.db2.gz CXSRSUMRQIDSHN-UHFFFAOYSA-N -1 1 388.478 2.341 20 0 GEADMM CCc1ccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c(C(=O)[O-])c1 ZINC000821486562 606764588 /nfs/dbraw/zinc/76/45/88/606764588.db2.gz GKHFLQYXSLKBDW-UHFFFAOYSA-N -1 1 391.384 2.067 20 0 GEADMM O=S(=O)([N-]c1cc(CCc2ccccc2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823583522 606780187 /nfs/dbraw/zinc/78/01/87/606780187.db2.gz RZCJHKJEPHPCKK-UHFFFAOYSA-N -1 1 395.448 2.176 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccc2c(c1)COC2 ZINC000822010350 606802759 /nfs/dbraw/zinc/80/27/59/606802759.db2.gz ZCNBTUZWBMPNDF-UHFFFAOYSA-N -1 1 395.419 2.290 20 0 GEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820733038 606805340 /nfs/dbraw/zinc/80/53/40/606805340.db2.gz CIBGNLRQZMPYGW-DOMZBBRYSA-N -1 1 377.452 2.474 20 0 GEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820733038 606805341 /nfs/dbraw/zinc/80/53/41/606805341.db2.gz CIBGNLRQZMPYGW-DOMZBBRYSA-N -1 1 377.452 2.474 20 0 GEADMM CC[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820972336 606827977 /nfs/dbraw/zinc/82/79/77/606827977.db2.gz NGIKHEXBODEVCV-BBRMVZONSA-N -1 1 382.472 2.154 20 0 GEADMM CC[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820972336 606827979 /nfs/dbraw/zinc/82/79/79/606827979.db2.gz NGIKHEXBODEVCV-BBRMVZONSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(C)c1O ZINC000822242709 606833458 /nfs/dbraw/zinc/83/34/58/606833458.db2.gz VFTZMQQZGGWXFY-UHFFFAOYSA-N -1 1 382.424 2.478 20 0 GEADMM COc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821777450 606840877 /nfs/dbraw/zinc/84/08/77/606840877.db2.gz FNYYHMNHXXPAHM-NSHDSACASA-N -1 1 391.428 2.396 20 0 GEADMM CCN(Cc1c(F)cccc1F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821222757 606843925 /nfs/dbraw/zinc/84/39/25/606843925.db2.gz YMNPNCQORRJAHZ-UHFFFAOYSA-N -1 1 397.382 2.495 20 0 GEADMM CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821447354 606845127 /nfs/dbraw/zinc/84/51/27/606845127.db2.gz JJBRQCDWDYGWKR-NEPJUHHUSA-N -1 1 385.490 2.301 20 0 GEADMM CC(C)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820051939 606876058 /nfs/dbraw/zinc/87/60/58/606876058.db2.gz YMSITQHPCZHBFI-KRWDZBQOSA-N -1 1 384.465 2.206 20 0 GEADMM CC(C)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820051939 606876060 /nfs/dbraw/zinc/87/60/60/606876060.db2.gz YMSITQHPCZHBFI-KRWDZBQOSA-N -1 1 384.465 2.206 20 0 GEADMM CCc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821492319 606892116 /nfs/dbraw/zinc/89/21/16/606892116.db2.gz LRIIEFVQFTTWFJ-UHFFFAOYSA-N -1 1 379.392 2.186 20 0 GEADMM CC1(C)C(=O)Nc2ccc(C(=O)COC(=O)c3sccc3-c3nn[n-]n3)cc21 ZINC000820576885 606947894 /nfs/dbraw/zinc/94/78/94/606947894.db2.gz AUHGRTYVHBIKPG-UHFFFAOYSA-N -1 1 397.416 2.198 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@H](c3ccsc3)C2)c(-c2nn[n-]n2)c1C ZINC000822548803 606982659 /nfs/dbraw/zinc/98/26/59/606982659.db2.gz OGFPNSLBMKBGPH-ZDUSSCGKSA-N -1 1 388.453 2.150 20 0 GEADMM CCC[C@@H](NC(N)=O)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821139148 607094113 /nfs/dbraw/zinc/09/41/13/607094113.db2.gz PTNIAVKDQGDSIL-CYBMUJFWSA-N -1 1 399.480 2.048 20 0 GEADMM COc1ccc(C)cc1-n1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC000821782358 607106481 /nfs/dbraw/zinc/10/64/81/607106481.db2.gz DCUBNELXMUDMQD-UHFFFAOYSA-N -1 1 382.409 2.078 20 0 GEADMM COc1ccc(C)cc1-n1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC000821782358 607106482 /nfs/dbraw/zinc/10/64/82/607106482.db2.gz DCUBNELXMUDMQD-UHFFFAOYSA-N -1 1 382.409 2.078 20 0 GEADMM Cc1cc(-c2noc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)ccc1F ZINC000822154434 607112143 /nfs/dbraw/zinc/11/21/43/607112143.db2.gz XDVVJFFWXBZKDG-UHFFFAOYSA-N -1 1 381.327 2.116 20 0 GEADMM Cc1cc(-c2noc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)ccc1F ZINC000822154434 607112146 /nfs/dbraw/zinc/11/21/46/607112146.db2.gz XDVVJFFWXBZKDG-UHFFFAOYSA-N -1 1 381.327 2.116 20 0 GEADMM CNC(=O)Cc1noc(-c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)n1 ZINC000821634002 607117990 /nfs/dbraw/zinc/11/79/90/607117990.db2.gz NTIWMUILEZVCHO-UHFFFAOYSA-N -1 1 395.354 2.137 20 0 GEADMM CNC(=O)Cc1noc(-c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)n1 ZINC000821634002 607117991 /nfs/dbraw/zinc/11/79/91/607117991.db2.gz NTIWMUILEZVCHO-UHFFFAOYSA-N -1 1 395.354 2.137 20 0 GEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)[nH]n1 ZINC000821077682 607152045 /nfs/dbraw/zinc/15/20/45/607152045.db2.gz PZEOTJRQQZGLKC-UHFFFAOYSA-N -1 1 381.849 2.387 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000822486231 607179374 /nfs/dbraw/zinc/17/93/74/607179374.db2.gz CFKSNOJWLGWMKF-GOSISDBHSA-N -1 1 390.403 2.138 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC000822535221 607185212 /nfs/dbraw/zinc/18/52/12/607185212.db2.gz JWVCKRZDPIFKPX-WCQYABFASA-N -1 1 396.407 2.394 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC000822535221 607185213 /nfs/dbraw/zinc/18/52/13/607185213.db2.gz JWVCKRZDPIFKPX-WCQYABFASA-N -1 1 396.407 2.394 20 0 GEADMM CC(C)(C)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000819906728 607218603 /nfs/dbraw/zinc/21/86/03/607218603.db2.gz JRQHJNXSNWZHIK-ZDUSSCGKSA-N -1 1 388.863 2.405 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc(C(N)=O)sc1C ZINC000822541633 607223829 /nfs/dbraw/zinc/22/38/29/607223829.db2.gz OZTQXFBEGJXLEF-UHFFFAOYSA-N -1 1 397.420 2.280 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(C(N)=O)sc1C ZINC000822541633 607223830 /nfs/dbraw/zinc/22/38/30/607223830.db2.gz OZTQXFBEGJXLEF-UHFFFAOYSA-N -1 1 397.420 2.280 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000823136239 607224087 /nfs/dbraw/zinc/22/40/87/607224087.db2.gz QDDAEDPKSCNVSB-UHFFFAOYSA-N -1 1 398.333 2.167 20 0 GEADMM Oc1cccc([C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000823731701 607226105 /nfs/dbraw/zinc/22/61/05/607226105.db2.gz CMYQODXPBOFUDE-INIZCTEOSA-N -1 1 375.392 2.093 20 0 GEADMM Oc1cccc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000823731701 607226106 /nfs/dbraw/zinc/22/61/06/607226106.db2.gz CMYQODXPBOFUDE-INIZCTEOSA-N -1 1 375.392 2.093 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1(C)CCCCC1 ZINC000824999532 607794636 /nfs/dbraw/zinc/79/46/36/607794636.db2.gz HIISBEROLWQGRL-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1(C)CCCCC1 ZINC000824999532 607794637 /nfs/dbraw/zinc/79/46/37/607794637.db2.gz HIISBEROLWQGRL-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM CCN(CCc1nccs1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825428905 607818506 /nfs/dbraw/zinc/81/85/06/607818506.db2.gz VFTYKQSADOJIIO-UHFFFAOYSA-N -1 1 398.901 2.230 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CCC[C@H]2O)c1-c1nn[n-]n1 ZINC000826231456 607862936 /nfs/dbraw/zinc/86/29/36/607862936.db2.gz MCOUVTNWGNKUHR-BXUZGUMPSA-N -1 1 388.497 2.094 20 0 GEADMM Cc1cccc(C)c1OCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826297068 607863765 /nfs/dbraw/zinc/86/37/65/607863765.db2.gz UKNCQTQBRFOODG-UHFFFAOYSA-N -1 1 385.399 2.197 20 0 GEADMM Cc1cccc(C)c1OCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826297068 607863766 /nfs/dbraw/zinc/86/37/66/607863766.db2.gz UKNCQTQBRFOODG-UHFFFAOYSA-N -1 1 385.399 2.197 20 0 GEADMM C[C@@H]1Cc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)ccc2O1 ZINC000825011996 607867488 /nfs/dbraw/zinc/86/74/88/607867488.db2.gz CBQQQBHWLUNNIV-SECBINFHSA-N -1 1 376.369 2.097 20 0 GEADMM C[C@@H]1Cc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)ccc2O1 ZINC000825011996 607867489 /nfs/dbraw/zinc/86/74/89/607867489.db2.gz CBQQQBHWLUNNIV-SECBINFHSA-N -1 1 376.369 2.097 20 0 GEADMM O=[S@@](Cc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1)C1CCOCC1 ZINC000826496339 607900238 /nfs/dbraw/zinc/90/02/38/607900238.db2.gz SRHVFIBDAQMRQO-MHZLTWQESA-N -1 1 384.465 2.433 20 0 GEADMM O=[S@@](Cc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1)C1CCOCC1 ZINC000826496339 607900239 /nfs/dbraw/zinc/90/02/39/607900239.db2.gz SRHVFIBDAQMRQO-MHZLTWQESA-N -1 1 384.465 2.433 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1 ZINC000826484355 607907912 /nfs/dbraw/zinc/90/79/12/607907912.db2.gz ZYNNORRUFZEGHP-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000826467077 607979761 /nfs/dbraw/zinc/97/97/61/607979761.db2.gz GJOMUSNSGKJGHL-SFHVURJKSA-N -1 1 395.419 2.242 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000826467077 607979762 /nfs/dbraw/zinc/97/97/62/607979762.db2.gz GJOMUSNSGKJGHL-SFHVURJKSA-N -1 1 395.419 2.242 20 0 GEADMM Fc1ccc(CNc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)cc1 ZINC000826374665 607988506 /nfs/dbraw/zinc/98/85/06/607988506.db2.gz IOACNIHCNXGMPY-UHFFFAOYSA-N -1 1 387.429 2.411 20 0 GEADMM Fc1ccc(CNc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)cc1 ZINC000826374665 607988507 /nfs/dbraw/zinc/98/85/07/607988507.db2.gz IOACNIHCNXGMPY-UHFFFAOYSA-N -1 1 387.429 2.411 20 0 GEADMM CCCc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[nH]c(C)c1C(=O)OC ZINC000825348773 607998379 /nfs/dbraw/zinc/99/83/79/607998379.db2.gz ZWIKSMQLHCDIMF-UHFFFAOYSA-N -1 1 384.396 2.200 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@]12CCC(=O)N1c1ccccc1S2 ZINC000826480236 607999020 /nfs/dbraw/zinc/99/90/20/607999020.db2.gz VLKOTNBOKBXDSP-GOSISDBHSA-N -1 1 394.416 2.140 20 0 GEADMM CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000825069183 608027541 /nfs/dbraw/zinc/02/75/41/608027541.db2.gz YZDFWRRKJKQJPG-LBPRGKRZSA-N -1 1 390.469 2.290 20 0 GEADMM CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000825069183 608027542 /nfs/dbraw/zinc/02/75/42/608027542.db2.gz YZDFWRRKJKQJPG-LBPRGKRZSA-N -1 1 390.469 2.290 20 0 GEADMM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826212890 608028879 /nfs/dbraw/zinc/02/88/79/608028879.db2.gz DTEGFIFPEZTFFA-LLVKDONJSA-N -1 1 397.439 2.332 20 0 GEADMM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826212890 608028880 /nfs/dbraw/zinc/02/88/80/608028880.db2.gz DTEGFIFPEZTFFA-LLVKDONJSA-N -1 1 397.439 2.332 20 0 GEADMM CCC(CC)[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825094784 608054175 /nfs/dbraw/zinc/05/41/75/608054175.db2.gz BOFDYRRKUDAVSN-LBPRGKRZSA-N -1 1 387.488 2.453 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C2=Cc3cc(F)ccc3OC2)n1 ZINC000824147429 608066272 /nfs/dbraw/zinc/06/62/72/608066272.db2.gz CNDJTXJQTRGWPX-UHFFFAOYSA-N -1 1 383.387 2.372 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C2=Cc3cc(F)ccc3OC2)n1 ZINC000824147429 608066273 /nfs/dbraw/zinc/06/62/73/608066273.db2.gz CNDJTXJQTRGWPX-UHFFFAOYSA-N -1 1 383.387 2.372 20 0 GEADMM COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826187814 608087662 /nfs/dbraw/zinc/08/76/62/608087662.db2.gz FZGBBXXNGFDYEQ-APWZRJJASA-N -1 1 399.476 2.449 20 0 GEADMM COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826187814 608087663 /nfs/dbraw/zinc/08/76/63/608087663.db2.gz FZGBBXXNGFDYEQ-APWZRJJASA-N -1 1 399.476 2.449 20 0 GEADMM COCc1noc([C@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000826165570 608144961 /nfs/dbraw/zinc/14/49/61/608144961.db2.gz BBSATQYZEMLZTM-JTQLQIEISA-N -1 1 399.367 2.006 20 0 GEADMM COCc1noc([C@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000826165570 608144962 /nfs/dbraw/zinc/14/49/62/608144962.db2.gz BBSATQYZEMLZTM-JTQLQIEISA-N -1 1 399.367 2.006 20 0 GEADMM O=C(CCCC(F)(F)F)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826405442 608148784 /nfs/dbraw/zinc/14/87/84/608148784.db2.gz FWLFRJCVUYRPFB-UHFFFAOYSA-N -1 1 399.377 2.113 20 0 GEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1c1c(F)cccc1F ZINC000826478864 608197611 /nfs/dbraw/zinc/19/76/11/608197611.db2.gz KUMBLKHVZJJFCA-MRVPVSSYSA-N -1 1 391.769 2.411 20 0 GEADMM O=C1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1c1c(F)cccc1F ZINC000826478864 608197613 /nfs/dbraw/zinc/19/76/13/608197613.db2.gz KUMBLKHVZJJFCA-MRVPVSSYSA-N -1 1 391.769 2.411 20 0 GEADMM CCC(CC)(C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825090355 608212872 /nfs/dbraw/zinc/21/28/72/608212872.db2.gz XLLBBBCYDLSJFM-UHFFFAOYSA-N -1 1 396.499 2.321 20 0 GEADMM CCC(CC)(C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825090355 608212873 /nfs/dbraw/zinc/21/28/73/608212873.db2.gz XLLBBBCYDLSJFM-UHFFFAOYSA-N -1 1 396.499 2.321 20 0 GEADMM C[C@@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824874064 608212909 /nfs/dbraw/zinc/21/29/09/608212909.db2.gz BDDOPVWKYFFADO-OLZOCXBDSA-N -1 1 388.520 2.416 20 0 GEADMM C[C@@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824874064 608212910 /nfs/dbraw/zinc/21/29/10/608212910.db2.gz BDDOPVWKYFFADO-OLZOCXBDSA-N -1 1 388.520 2.416 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000826231567 608251577 /nfs/dbraw/zinc/25/15/77/608251577.db2.gz QALBVKFGEVIHII-UHFFFAOYSA-N -1 1 386.481 2.256 20 0 GEADMM CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825195542 608270627 /nfs/dbraw/zinc/27/06/27/608270627.db2.gz XCYCBOHUZABLQV-BXUZGUMPSA-N -1 1 382.472 2.248 20 0 GEADMM CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825195542 608270628 /nfs/dbraw/zinc/27/06/28/608270628.db2.gz XCYCBOHUZABLQV-BXUZGUMPSA-N -1 1 382.472 2.248 20 0 GEADMM Cn1cc([C@H](O)C[C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000826359201 608302016 /nfs/dbraw/zinc/30/20/16/608302016.db2.gz AAQDLQXUWCFTII-AUUYWEPGSA-N -1 1 390.451 2.241 20 0 GEADMM Cn1cc([C@H](O)C[C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000826359201 608302018 /nfs/dbraw/zinc/30/20/18/608302018.db2.gz AAQDLQXUWCFTII-AUUYWEPGSA-N -1 1 390.451 2.241 20 0 GEADMM CC[C@H](CSC)N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825119946 608335771 /nfs/dbraw/zinc/33/57/71/608335771.db2.gz GWFIGFWKNPSJSW-GFCCVEGCSA-N -1 1 378.502 2.117 20 0 GEADMM CC[C@H](CSC)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825128101 608425136 /nfs/dbraw/zinc/42/51/36/608425136.db2.gz QQHPSXYOIMJZTF-SECBINFHSA-N -1 1 395.432 2.305 20 0 GEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824651230 608435015 /nfs/dbraw/zinc/43/50/15/608435015.db2.gz XYBAIUWMGFXAHH-ACJLOTCBSA-N -1 1 381.440 2.394 20 0 GEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824651230 608435017 /nfs/dbraw/zinc/43/50/17/608435017.db2.gz XYBAIUWMGFXAHH-ACJLOTCBSA-N -1 1 381.440 2.394 20 0 GEADMM COc1ccc2c(c1)OC[C@@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000826213055 608440551 /nfs/dbraw/zinc/44/05/51/608440551.db2.gz JUCJPHYODNISSO-LBPRGKRZSA-N -1 1 375.392 2.234 20 0 GEADMM COc1ccc2c(c1)OC[C@@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000826213055 608440552 /nfs/dbraw/zinc/44/05/52/608440552.db2.gz JUCJPHYODNISSO-LBPRGKRZSA-N -1 1 375.392 2.234 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1csc(-c2ncccc2F)n1 ZINC000826451136 608545303 /nfs/dbraw/zinc/54/53/03/608545303.db2.gz RGAFKQTVIGYNNO-UHFFFAOYSA-N -1 1 383.368 2.482 20 0 GEADMM CCCOc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825342891 608548556 /nfs/dbraw/zinc/54/85/56/608548556.db2.gz XUQHMQDIYJSRHN-UHFFFAOYSA-N -1 1 399.459 2.057 20 0 GEADMM CCCOc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825342891 608548558 /nfs/dbraw/zinc/54/85/58/608548558.db2.gz XUQHMQDIYJSRHN-UHFFFAOYSA-N -1 1 399.459 2.057 20 0 GEADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826291081 608550042 /nfs/dbraw/zinc/55/00/42/608550042.db2.gz OCQMUJKNCCDLBU-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826291081 608550044 /nfs/dbraw/zinc/55/00/44/608550044.db2.gz OCQMUJKNCCDLBU-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM CC(C)C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824228334 608557188 /nfs/dbraw/zinc/55/71/88/608557188.db2.gz HOPBDPATNWVYBM-HNNXBMFYSA-N -1 1 396.499 2.393 20 0 GEADMM CC(C)C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824228334 608557190 /nfs/dbraw/zinc/55/71/90/608557190.db2.gz HOPBDPATNWVYBM-HNNXBMFYSA-N -1 1 396.499 2.393 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCC(C)(C)c1ccccc1 ZINC000825923589 608557894 /nfs/dbraw/zinc/55/78/94/608557894.db2.gz NMABIXKERBHDMR-UHFFFAOYSA-N -1 1 396.499 2.321 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCC(C)(C)c1ccccc1 ZINC000825923589 608557895 /nfs/dbraw/zinc/55/78/95/608557895.db2.gz NMABIXKERBHDMR-UHFFFAOYSA-N -1 1 396.499 2.321 20 0 GEADMM COc1ccc(F)cc1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826209172 608581182 /nfs/dbraw/zinc/58/11/82/608581182.db2.gz PRLSQNCNESVXSI-UHFFFAOYSA-N -1 1 376.373 2.089 20 0 GEADMM CN(CCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(=O)OC(C)(C)C ZINC000825919298 608798588 /nfs/dbraw/zinc/79/85/88/608798588.db2.gz YMFKDVHVMLNSRJ-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM CN(CCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(=O)OC(C)(C)C ZINC000825919298 608798591 /nfs/dbraw/zinc/79/85/91/608798591.db2.gz YMFKDVHVMLNSRJ-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM CN(CCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(=O)OC(C)(C)C ZINC000825918394 608798691 /nfs/dbraw/zinc/79/86/91/608798691.db2.gz DQNYOYIFPIPHQR-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM CN(CCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(=O)OC(C)(C)C ZINC000825918394 608798694 /nfs/dbraw/zinc/79/86/94/608798694.db2.gz DQNYOYIFPIPHQR-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(Cl)ccc1F ZINC000824999746 608839957 /nfs/dbraw/zinc/83/99/57/608839957.db2.gz JBFKGKBXHCIZAK-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(Cl)ccc1F ZINC000824999746 608839959 /nfs/dbraw/zinc/83/99/59/608839959.db2.gz JBFKGKBXHCIZAK-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(C2CCC2)s1 ZINC000825001100 608840062 /nfs/dbraw/zinc/84/00/62/608840062.db2.gz WZRIOJQXJLAJEV-LBPRGKRZSA-N -1 1 397.512 2.091 20 0 GEADMM COc1ccc([C@H]2CCCCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826190281 608889742 /nfs/dbraw/zinc/88/97/42/608889742.db2.gz WCIWCAYHADLZRM-MRXNPFEDSA-N -1 1 381.440 2.216 20 0 GEADMM COc1ccc([C@H]2CCCCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826190281 608889744 /nfs/dbraw/zinc/88/97/44/608889744.db2.gz WCIWCAYHADLZRM-MRXNPFEDSA-N -1 1 381.440 2.216 20 0 GEADMM CCc1nn(Cc2ncc(Cl)cc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763504 609176416 /nfs/dbraw/zinc/17/64/16/609176416.db2.gz XQBCOIYXVAKYEK-UHFFFAOYSA-N -1 1 380.239 2.298 20 0 GEADMM CC[C@@H]1CCCCN1C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825195597 609280206 /nfs/dbraw/zinc/28/02/06/609280206.db2.gz XHDNBAKEHXRGDP-CYBMUJFWSA-N -1 1 398.446 2.395 20 0 GEADMM COc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826187529 609288690 /nfs/dbraw/zinc/28/86/90/609288690.db2.gz VFIJKGBDDPFPDD-UHFFFAOYSA-N -1 1 379.355 2.452 20 0 GEADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824869206 609288827 /nfs/dbraw/zinc/28/88/27/609288827.db2.gz ZCUFKTNVOFJORK-PWSUYJOCSA-N -1 1 383.387 2.135 20 0 GEADMM COc1ccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826190725 609288877 /nfs/dbraw/zinc/28/88/77/609288877.db2.gz LDRJXENYZVPZTD-UHFFFAOYSA-N -1 1 393.382 2.381 20 0 GEADMM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824869204 609288978 /nfs/dbraw/zinc/28/89/78/609288978.db2.gz ZCUFKTNVOFJORK-JQWIXIFHSA-N -1 1 383.387 2.135 20 0 GEADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826264842 609292433 /nfs/dbraw/zinc/29/24/33/609292433.db2.gz BYBCFQNZOHYANE-GFCCVEGCSA-N -1 1 395.402 2.205 20 0 GEADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCCCC1 ZINC000825134131 609301916 /nfs/dbraw/zinc/30/19/16/609301916.db2.gz SARQTEVLNXAFNA-CYBMUJFWSA-N -1 1 389.508 2.105 20 0 GEADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCCCC1 ZINC000825134131 609301918 /nfs/dbraw/zinc/30/19/18/609301918.db2.gz SARQTEVLNXAFNA-CYBMUJFWSA-N -1 1 389.508 2.105 20 0 GEADMM C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1F ZINC000824949538 609363741 /nfs/dbraw/zinc/36/37/41/609363741.db2.gz YBTLQYSUUXATQX-JQWIXIFHSA-N -1 1 388.382 2.403 20 0 GEADMM Cc1nn(C)c(C)c1NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826333438 609364227 /nfs/dbraw/zinc/36/42/27/609364227.db2.gz HSRKQHHTIKYWSC-UHFFFAOYSA-N -1 1 396.390 2.186 20 0 GEADMM Clc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000826352189 609365030 /nfs/dbraw/zinc/36/50/30/609365030.db2.gz QXTRTICBSLTDDF-UHFFFAOYSA-N -1 1 386.847 2.103 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1ccc(C(F)(F)F)nc1 ZINC000826492539 609456160 /nfs/dbraw/zinc/45/61/60/609456160.db2.gz PTWRFBBSFQSIIL-UHFFFAOYSA-N -1 1 388.306 2.220 20 0 GEADMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000824384399 609468444 /nfs/dbraw/zinc/46/84/44/609468444.db2.gz BJBMGZJUHSLWCR-NSHDSACASA-N -1 1 387.421 2.246 20 0 GEADMM Cc1onc(CC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826345341 609468871 /nfs/dbraw/zinc/46/88/71/609468871.db2.gz JNFITWLUAPPMBW-GOSISDBHSA-N -1 1 393.382 2.146 20 0 GEADMM Cc1onc(CC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826345341 609468873 /nfs/dbraw/zinc/46/88/73/609468873.db2.gz JNFITWLUAPPMBW-GOSISDBHSA-N -1 1 393.382 2.146 20 0 GEADMM CCCN1C(=O)CCc2cc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)ccc21 ZINC000825323317 609470352 /nfs/dbraw/zinc/47/03/52/609470352.db2.gz SQGRHFAZUKAKCB-UHFFFAOYSA-N -1 1 395.423 2.034 20 0 GEADMM CCCN1C(=O)CCc2cc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)ccc21 ZINC000825323317 609470353 /nfs/dbraw/zinc/47/03/53/609470353.db2.gz SQGRHFAZUKAKCB-UHFFFAOYSA-N -1 1 395.423 2.034 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1-c1nnn[n-]1 ZINC000826293531 609472239 /nfs/dbraw/zinc/47/22/39/609472239.db2.gz SJJCSKBNLJMTFP-GFCCVEGCSA-N -1 1 391.435 2.169 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1-c1nn[n-]n1 ZINC000826293531 609472241 /nfs/dbraw/zinc/47/22/41/609472241.db2.gz SJJCSKBNLJMTFP-GFCCVEGCSA-N -1 1 391.435 2.169 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(CCC(F)(F)F)c2)n1 ZINC000824148394 609504011 /nfs/dbraw/zinc/50/40/11/609504011.db2.gz SUZYTVULXSUSIS-UHFFFAOYSA-N -1 1 397.365 2.219 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(CCC(F)(F)F)c2)n1 ZINC000824148394 609504013 /nfs/dbraw/zinc/50/40/13/609504013.db2.gz SUZYTVULXSUSIS-UHFFFAOYSA-N -1 1 397.365 2.219 20 0 GEADMM Cc1nc2c(s1)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CCC2 ZINC000826328591 609581567 /nfs/dbraw/zinc/58/15/67/609581567.db2.gz WRMBTWXRUBQRKI-LLVKDONJSA-N -1 1 394.457 2.127 20 0 GEADMM Cc1nc2c(s1)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CCC2 ZINC000826328591 609581568 /nfs/dbraw/zinc/58/15/68/609581568.db2.gz WRMBTWXRUBQRKI-LLVKDONJSA-N -1 1 394.457 2.127 20 0 GEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(C(=O)OC)ccc1Cl ZINC000446721519 649987613 /nfs/dbraw/zinc/98/76/13/649987613.db2.gz VEWJWNILYDJBOX-UHFFFAOYSA-N -1 1 390.826 2.171 20 0 GEADMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000446989621 649991891 /nfs/dbraw/zinc/99/18/91/649991891.db2.gz FVQYHNLLSGCHCM-UHFFFAOYSA-N -1 1 381.475 2.105 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N=c2nc(-c3ccsc3)[n-]s2)C[C@@H](C)O1 ZINC000447999403 650012561 /nfs/dbraw/zinc/01/25/61/650012561.db2.gz MGVSAGCKUZQBGS-VXGBXAGGSA-N -1 1 381.527 2.309 20 0 GEADMM O=C(CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl)N1CCOCC1 ZINC000451020184 650080685 /nfs/dbraw/zinc/08/06/85/650080685.db2.gz VWFXMOZCHAITIY-UHFFFAOYSA-N -1 1 388.898 2.082 20 0 GEADMM COC(=O)c1cnn(C)c1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000451058584 650082801 /nfs/dbraw/zinc/08/28/01/650082801.db2.gz GQNRWIWYNMERSJ-UHFFFAOYSA-N -1 1 377.344 2.167 20 0 GEADMM COCn1nc(C)c(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)c1C ZINC000451063504 650083149 /nfs/dbraw/zinc/08/31/49/650083149.db2.gz GKMUBXMDWRTXSS-NSHDSACASA-N -1 1 398.432 2.451 20 0 GEADMM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1[C@H]1CCOC1 ZINC000451100552 650086607 /nfs/dbraw/zinc/08/66/07/650086607.db2.gz VIQAQEFVXCCZCL-JTQLQIEISA-N -1 1 385.829 2.305 20 0 GEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000451110483 650087674 /nfs/dbraw/zinc/08/76/74/650087674.db2.gz CRQKKCNUCXZHOE-UHFFFAOYSA-N -1 1 393.288 2.257 20 0 GEADMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451368865 650108245 /nfs/dbraw/zinc/10/82/45/650108245.db2.gz QOHJGSKJXCNECK-OLZOCXBDSA-N -1 1 385.473 2.478 20 0 GEADMM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1=O ZINC000451434340 650113568 /nfs/dbraw/zinc/11/35/68/650113568.db2.gz PXJDJHSAYYTHLB-NSHDSACASA-N -1 1 388.902 2.092 20 0 GEADMM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451451644 650115637 /nfs/dbraw/zinc/11/56/37/650115637.db2.gz DFYPJRNBQLENDB-LLVKDONJSA-N -1 1 377.871 2.146 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC(C)(C)CO ZINC000451686397 650133205 /nfs/dbraw/zinc/13/32/05/650133205.db2.gz OWBPQVXDLCUGIY-UHFFFAOYSA-N -1 1 384.281 2.467 20 0 GEADMM CC[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451748831 650138725 /nfs/dbraw/zinc/13/87/25/650138725.db2.gz NUJPHORFXCBFID-NEPJUHHUSA-N -1 1 378.491 2.302 20 0 GEADMM COCC(COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000451885752 650150155 /nfs/dbraw/zinc/15/01/55/650150155.db2.gz BGMMIHAXROURJE-UHFFFAOYSA-N -1 1 390.658 2.181 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC1(CO)CC1 ZINC000451940921 650155599 /nfs/dbraw/zinc/15/55/99/650155599.db2.gz WMIINDLDNBLDQU-UHFFFAOYSA-N -1 1 382.265 2.221 20 0 GEADMM COC[C@@](C)(O)CCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000452340008 650180048 /nfs/dbraw/zinc/18/00/48/650180048.db2.gz HCIADKPVKQOIMZ-INIZCTEOSA-N -1 1 383.242 2.220 20 0 GEADMM O=C(NC1(CF)CCOCC1)c1ccc(I)c([O-])c1 ZINC000456061424 650329333 /nfs/dbraw/zinc/32/93/33/650329333.db2.gz NXWWHTUGZAUAJX-UHFFFAOYSA-N -1 1 379.169 2.245 20 0 GEADMM O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1ncccc1[O-] ZINC000456714208 650357482 /nfs/dbraw/zinc/35/74/82/650357482.db2.gz JDRYXYCQVMHSNA-LLVKDONJSA-N -1 1 383.217 2.270 20 0 GEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Br)cn3)no2)co1 ZINC000460822420 650446134 /nfs/dbraw/zinc/44/61/34/650446134.db2.gz DTCOMQDQFMRCBZ-UHFFFAOYSA-N -1 1 385.199 2.062 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 ZINC000461459298 650454449 /nfs/dbraw/zinc/45/44/49/650454449.db2.gz CCEREZQZZLJJDK-UHFFFAOYSA-N -1 1 378.435 2.004 20 0 GEADMM CCc1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000507567767 650463032 /nfs/dbraw/zinc/46/30/32/650463032.db2.gz RNLRKLMCXZSRIC-UHFFFAOYSA-N -1 1 386.470 2.439 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC000507612381 650464966 /nfs/dbraw/zinc/46/49/66/650464966.db2.gz BFRRXJNWSFQXSR-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM CN(C)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000507644791 650466057 /nfs/dbraw/zinc/46/60/57/650466057.db2.gz NTQPWHKKJSJWLH-UHFFFAOYSA-N -1 1 376.406 2.016 20 0 GEADMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1 ZINC000507949431 650470275 /nfs/dbraw/zinc/47/02/75/650470275.db2.gz MQMDTZNUIXETJK-DEOSSOPVSA-N -1 1 381.475 2.330 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c[nH]1 ZINC000508116645 650474858 /nfs/dbraw/zinc/47/48/58/650474858.db2.gz LOURPAQCIMUPME-UHFFFAOYSA-N -1 1 394.634 2.413 20 0 GEADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000509090235 650486412 /nfs/dbraw/zinc/48/64/12/650486412.db2.gz RNKJRRYTKKCDJE-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509881380 650502275 /nfs/dbraw/zinc/50/22/75/650502275.db2.gz YSWKPTSXIQDAHJ-MRVPVSSYSA-N -1 1 398.264 2.258 20 0 GEADMM CC[C@]([N-]S(=O)(=O)C[C@H]1CCCO1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510536504 650513549 /nfs/dbraw/zinc/51/35/49/650513549.db2.gz FMSQCULUFKDFFX-GDBMZVCRSA-N -1 1 375.874 2.217 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)CCOC(C)C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510557621 650514147 /nfs/dbraw/zinc/51/41/47/650514147.db2.gz FSJNKAGWRNIUAS-INIZCTEOSA-N -1 1 377.890 2.463 20 0 GEADMM Cn1ncc2c1[n-]cc(C(=O)NCCOc1ccc(Br)cc1)c2=O ZINC000511909560 650542244 /nfs/dbraw/zinc/54/22/44/650542244.db2.gz JQXHKOUMLVEHRZ-UHFFFAOYSA-N -1 1 391.225 2.245 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)[C@H]1CCCOC1 ZINC000512406037 650547662 /nfs/dbraw/zinc/54/76/62/650547662.db2.gz OTRBSKBAFZKFGJ-SWLSCSKDSA-N -1 1 375.874 2.118 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)[C@H]1CCCOC1 ZINC000512437894 650548756 /nfs/dbraw/zinc/54/87/56/650548756.db2.gz XZOKVYQPZOJESZ-HZMBPMFUSA-N -1 1 379.837 2.116 20 0 GEADMM C[C@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000512625752 650551926 /nfs/dbraw/zinc/55/19/26/650551926.db2.gz ROBHPDPGFAKOQG-MRVPVSSYSA-N -1 1 376.360 2.359 20 0 GEADMM C[C@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000512625752 650551931 /nfs/dbraw/zinc/55/19/31/650551931.db2.gz ROBHPDPGFAKOQG-MRVPVSSYSA-N -1 1 376.360 2.359 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nc3cccc(Cl)c3n2C)c1 ZINC000476193874 650545708 /nfs/dbraw/zinc/54/57/08/650545708.db2.gz OHHOALYTDNIYGV-UHFFFAOYSA-N -1 1 383.813 2.085 20 0 GEADMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2Cl)c1C ZINC000476214844 650546683 /nfs/dbraw/zinc/54/66/83/650546683.db2.gz GUNUQWPDXDZVAS-UHFFFAOYSA-N -1 1 387.845 2.345 20 0 GEADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000476251374 650547468 /nfs/dbraw/zinc/54/74/68/650547468.db2.gz CJQJBGNLEMVDIV-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1=O ZINC000513816367 650569454 /nfs/dbraw/zinc/56/94/54/650569454.db2.gz MLXGOFZCKPWFMP-UHFFFAOYSA-N -1 1 388.804 2.005 20 0 GEADMM CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(C(=O)[O-])sc3C(C)(C)C)[C@@H]2C1 ZINC000514677217 650576615 /nfs/dbraw/zinc/57/66/15/650576615.db2.gz SKQMSULLGLSLRU-NWDGAFQWSA-N -1 1 386.539 2.459 20 0 GEADMM C[C@@H](CN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1nn[n-]n1 ZINC000478101306 650582887 /nfs/dbraw/zinc/58/28/87/650582887.db2.gz BHNILLXHNJFMJI-QMMMGPOBSA-N -1 1 391.229 2.092 20 0 GEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)c2=O ZINC000478441890 650585788 /nfs/dbraw/zinc/58/57/88/650585788.db2.gz FCSRZARIHDOLDR-LBPRGKRZSA-N -1 1 381.219 2.444 20 0 GEADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000515852862 650594745 /nfs/dbraw/zinc/59/47/45/650594745.db2.gz MVDWOZZOAUUJCA-UHFFFAOYSA-N -1 1 382.463 2.158 20 0 GEADMM COC[C@](C)([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)C(F)(F)F ZINC000479125037 650596364 /nfs/dbraw/zinc/59/63/64/650596364.db2.gz CBOGKSRRBLPXRY-AWEZNQCLSA-N -1 1 377.388 2.177 20 0 GEADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccncc1I ZINC000479132899 650596864 /nfs/dbraw/zinc/59/68/64/650596864.db2.gz KEXKCUWHILAPQA-UHFFFAOYSA-N -1 1 392.193 2.356 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000479189721 650598596 /nfs/dbraw/zinc/59/85/96/650598596.db2.gz YAGDLVMXDMKTQE-UHFFFAOYSA-N -1 1 386.813 2.027 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1S(N)(=O)=O ZINC000479476481 650604449 /nfs/dbraw/zinc/60/44/49/650604449.db2.gz BWXOLGAEEHTQEE-UHFFFAOYSA-N -1 1 397.503 2.307 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C3CC3)C2)c(F)c1 ZINC000520729914 650615954 /nfs/dbraw/zinc/61/59/54/650615954.db2.gz YQJWULYKCFFNBR-ZDUSSCGKSA-N -1 1 390.502 2.398 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c(F)c1 ZINC000480189269 650617437 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CCC(CC)(NC(=O)c1c([O-])cnc2c(Br)cccc21)C(N)=O ZINC000486044261 650706110 /nfs/dbraw/zinc/70/61/10/650706110.db2.gz VKKGOTOQMNWQCZ-UHFFFAOYSA-N -1 1 380.242 2.477 20 0 GEADMM Cc1nncn1CCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486383167 650712709 /nfs/dbraw/zinc/71/27/09/650712709.db2.gz WDIUZWFVNJIDAF-UHFFFAOYSA-N -1 1 376.214 2.033 20 0 GEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC)C(=O)OC(C)(C)C ZINC000530379918 650724169 /nfs/dbraw/zinc/72/41/69/650724169.db2.gz OUKLXVHMQCTWTH-XUXIUFHCSA-N -1 1 377.503 2.004 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000530532672 650725301 /nfs/dbraw/zinc/72/53/01/650725301.db2.gz JQPLWZUEJMIYPT-ZDUSSCGKSA-N -1 1 394.396 2.067 20 0 GEADMM O=S(=O)(NCC[NH+]1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC000002448702 642320526 /nfs/dbraw/zinc/32/05/26/642320526.db2.gz PGDRCAAREBYZPV-UHFFFAOYSA-N -1 1 382.711 2.262 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1OC ZINC000026541492 642434935 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CC(C)(NC(=O)c1coc(-c2ccc(Br)cc2F)n1)c1nn[n-]n1 ZINC000489767895 650763549 /nfs/dbraw/zinc/76/35/49/650763549.db2.gz MRJICPSEXIJSES-UHFFFAOYSA-N -1 1 395.192 2.421 20 0 GEADMM CN(C)[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1Cl ZINC000045797753 642596819 /nfs/dbraw/zinc/59/68/19/642596819.db2.gz VILFHHFDOFLESG-GFCCVEGCSA-N -1 1 377.297 2.308 20 0 GEADMM CCc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000045800161 642597348 /nfs/dbraw/zinc/59/73/48/642597348.db2.gz QBYFHBTUHKGXFD-UHFFFAOYSA-N -1 1 380.491 2.491 20 0 GEADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000047251270 642625126 /nfs/dbraw/zinc/62/51/26/642625126.db2.gz STUUVGJYDKLEBL-UHFFFAOYSA-N -1 1 395.384 2.122 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1Br ZINC000047367522 642630414 /nfs/dbraw/zinc/63/04/14/642630414.db2.gz YIKFPRUTZZEWRT-UHFFFAOYSA-N -1 1 385.239 2.357 20 0 GEADMM Cc1ccc(NC(=O)[C@H]2CSCN2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000490421680 650772451 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GEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1S(C)(=O)=O ZINC000535399884 650787776 /nfs/dbraw/zinc/78/77/76/650787776.db2.gz IUTPPZKZQHWMSK-UHFFFAOYSA-N -1 1 382.419 2.046 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1Cl ZINC000055678688 642779568 /nfs/dbraw/zinc/77/95/68/642779568.db2.gz UIAJRQUOFYRDCE-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000056085820 642790323 /nfs/dbraw/zinc/79/03/23/642790323.db2.gz VIBIEKZGRNYIGO-UHFFFAOYSA-N -1 1 383.779 2.493 20 0 GEADMM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000058707338 642828392 /nfs/dbraw/zinc/82/83/92/642828392.db2.gz YCIDRVDMQLSNGT-UHFFFAOYSA-N -1 1 380.779 2.493 20 0 GEADMM COCCN1C(=O)C(=CNc2ccc(SC(F)F)cc2)C(=O)[N-]C1=S ZINC000060860588 642839038 /nfs/dbraw/zinc/83/90/38/642839038.db2.gz IMXQSQCMZOBDTE-DHZHZOJOSA-N -1 1 387.433 2.187 20 0 GEADMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Br)c(C(F)(F)F)c1 ZINC000060863980 642839100 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CC(C)c1nc([C@@H](C)NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)n[nH]1 ZINC000496582041 650830167 /nfs/dbraw/zinc/83/01/67/650830167.db2.gz IYQLOLNWGOHITD-SECBINFHSA-N -1 1 385.877 2.444 20 0 GEADMM O=C(NCCCNC(=O)c1cncc([O-])c1)c1ccc(Br)cc1 ZINC000111595286 643342215 /nfs/dbraw/zinc/34/22/15/643342215.db2.gz JRMTVZHVMHESJH-UHFFFAOYSA-N -1 1 378.226 2.100 20 0 GEADMM C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000113089082 643382875 /nfs/dbraw/zinc/38/28/75/643382875.db2.gz MASJLTRRFZNAIR-SECBINFHSA-N -1 1 376.272 2.192 20 0 GEADMM NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000497602009 650837327 /nfs/dbraw/zinc/83/73/27/650837327.db2.gz XIZTWRWCCCIQBT-VIFPVBQESA-N -1 1 379.290 2.430 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(I)ccc1C)c1nn[n-]n1 ZINC000120074610 643590533 /nfs/dbraw/zinc/59/05/33/643590533.db2.gz QVPSKFQPDDAVHJ-LLVKDONJSA-N -1 1 385.209 2.384 20 0 GEADMM Cc1cccc2c(=O)n(CC(=O)Nc3nc(Br)ccc3[O-])cnc12 ZINC000121490295 643633578 /nfs/dbraw/zinc/63/35/78/643633578.db2.gz 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C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000125843659 643713473 /nfs/dbraw/zinc/71/34/73/643713473.db2.gz ZMFDLJOWHSSOHR-JOYOIKCWSA-N -1 1 386.823 2.356 20 0 GEADMM Cc1cc(Br)ccc1NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127170277 643761482 /nfs/dbraw/zinc/76/14/82/643761482.db2.gz WTSGECJHSNGCEC-UHFFFAOYSA-N -1 1 399.270 2.165 20 0 GEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1F ZINC000130452008 643840006 /nfs/dbraw/zinc/84/00/06/643840006.db2.gz AUTXATHXPRGMRB-UHFFFAOYSA-N -1 1 383.344 2.447 20 0 GEADMM C[C@H]1CN=C(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)S1 ZINC000133533507 643896345 /nfs/dbraw/zinc/89/63/45/643896345.db2.gz RAYBFZVLYTYLRU-JTQLQIEISA-N -1 1 384.299 2.404 20 0 GEADMM O=C(Nc1ccccc1C(=O)Nc1nnn[n-]1)c1cccc(Br)c1 ZINC000135464477 643915016 /nfs/dbraw/zinc/91/50/16/643915016.db2.gz LCSBXCXOVBMYJZ-UHFFFAOYSA-N -1 1 387.197 2.467 20 0 GEADMM O=C(Nc1ccccc1C(=O)Nc1nn[n-]n1)c1cccc(Br)c1 ZINC000135464477 643915025 /nfs/dbraw/zinc/91/50/25/643915025.db2.gz 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COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Br)cc1[O-] ZINC000321728280 647293443 /nfs/dbraw/zinc/29/34/43/647293443.db2.gz HJEYWVMSWSPJPD-LBPRGKRZSA-N -1 1 386.242 2.339 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000327291917 647306852 /nfs/dbraw/zinc/30/68/52/647306852.db2.gz KDEWPUYGQJBBSV-JTQLQIEISA-N -1 1 397.762 2.056 20 0 GEADMM O=C(N1CCCC1)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000329093064 647316721 /nfs/dbraw/zinc/31/67/21/647316721.db2.gz XIXJBSNJBQWUPD-CYBMUJFWSA-N -1 1 389.880 2.438 20 0 GEADMM CCn1cc(Br)c(=O)c([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000329837967 647324971 /nfs/dbraw/zinc/32/49/71/647324971.db2.gz MGFIBWDGDYUJSD-UHFFFAOYSA-N -1 1 376.232 2.036 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C)c(OC)c1 ZINC000330385964 647334234 /nfs/dbraw/zinc/33/42/34/647334234.db2.gz LVLGKFWSYPGGHX-TZMCWYRMSA-N -1 1 390.527 2.314 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC2(C)C)c(OC)c1 ZINC000330537688 647343334 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CS[C@@H]1CCCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000332200231 647421740 /nfs/dbraw/zinc/42/17/40/647421740.db2.gz BZYJUHCFNHEHMG-GFCCVEGCSA-N -1 1 396.531 2.103 20 0 GEADMM CCC1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(Cl)cc2C)CC1 ZINC000349545904 647508385 /nfs/dbraw/zinc/50/83/85/647508385.db2.gz RYPVCLGSHCHLFN-UHFFFAOYSA-N -1 1 395.934 2.037 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCC[C@@H]2C)n1 ZINC000349562194 647508967 /nfs/dbraw/zinc/50/89/67/647508967.db2.gz GKQHRRLSYRWLAE-ZFWWWQNUSA-N -1 1 389.543 2.020 20 0 GEADMM CC(C)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nccc2sccc21 ZINC000349571761 647512594 /nfs/dbraw/zinc/51/25/94/647512594.db2.gz GVYSTMVVKYQWQH-UHFFFAOYSA-N -1 1 391.540 2.004 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCC2(C)C)c1 ZINC000349589274 647515619 /nfs/dbraw/zinc/51/56/19/647515619.db2.gz PBUBBSGQONGAPR-AWEZNQCLSA-N -1 1 389.543 2.020 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCC[C@@H]2C)n1 ZINC000349605444 647518470 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CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000620727588 652115046 /nfs/dbraw/zinc/11/50/46/652115046.db2.gz VTRFLFQWPYAFNN-CYBMUJFWSA-N -1 1 380.901 2.048 20 0 GEADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CS1(=O)=O ZINC000657136271 652127692 /nfs/dbraw/zinc/12/76/92/652127692.db2.gz SOAAZPMJEUMTNL-RNFRBKRXSA-N -1 1 378.324 2.299 20 0 GEADMM COc1ccc(NS(=O)(=O)CCc2cccs2)cc1[N-]S(C)(=O)=O ZINC000576883221 652150470 /nfs/dbraw/zinc/15/04/70/652150470.db2.gz WSYVLXWODLRIJR-UHFFFAOYSA-N -1 1 390.508 2.113 20 0 GEADMM NC(=O)c1ccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c(F)c1 ZINC000747876588 652183331 /nfs/dbraw/zinc/18/33/31/652183331.db2.gz IQSWAWOMGPIPSN-UHFFFAOYSA-N -1 1 378.353 2.235 20 0 GEADMM COCc1nc(CNC(=O)c2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000622145918 652186301 /nfs/dbraw/zinc/18/63/01/652186301.db2.gz CEYGATLWNXRBEF-UHFFFAOYSA-N -1 1 375.610 2.003 20 0 GEADMM Cc1cnc(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000577430735 652187161 /nfs/dbraw/zinc/18/71/61/652187161.db2.gz 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GEADMM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000663099424 652483146 /nfs/dbraw/zinc/48/31/46/652483146.db2.gz TWVWIPAJILEODI-MRXNPFEDSA-N -1 1 393.241 2.351 20 0 GEADMM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000663099424 652483148 /nfs/dbraw/zinc/48/31/48/652483148.db2.gz TWVWIPAJILEODI-MRXNPFEDSA-N -1 1 393.241 2.351 20 0 GEADMM O=C([O-])CC[C@@H](CNS(=O)(=O)c1ncccc1C(F)(F)F)C(F)(F)F ZINC000663293778 652490117 /nfs/dbraw/zinc/49/01/17/652490117.db2.gz LZBPYOWFLZDQEC-ZETCQYMHSA-N -1 1 394.293 2.422 20 0 GEADMM CNS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)s1 ZINC000756905095 652508465 /nfs/dbraw/zinc/50/84/65/652508465.db2.gz CGKDONZXSZSGRD-UHFFFAOYSA-N -1 1 396.387 2.343 20 0 GEADMM CON(C)C(=O)[C@H](CCSC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000757095626 652513037 /nfs/dbraw/zinc/51/30/37/652513037.db2.gz INYJDEXVGHQAJR-NSHDSACASA-N -1 1 382.379 2.314 20 0 GEADMM CCCC[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000757953567 652526806 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COC(=O)c1cccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)c1O ZINC000759706190 652583885 /nfs/dbraw/zinc/58/38/85/652583885.db2.gz CJLHIVRPVRNJFL-UHFFFAOYSA-N -1 1 391.373 2.489 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCS[C@H]2C)c(F)c1 ZINC000592112834 652587188 /nfs/dbraw/zinc/58/71/88/652587188.db2.gz MDSRLTZGWVNEDG-GXFFZTMASA-N -1 1 396.531 2.150 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)[nH]nc1C1CC1 ZINC000760322854 652603699 /nfs/dbraw/zinc/60/36/99/652603699.db2.gz NLSCPDBMIVTEMN-UHFFFAOYSA-N -1 1 389.886 2.453 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCCCSC)c(Br)o1 ZINC000760583572 652616399 /nfs/dbraw/zinc/61/63/99/652616399.db2.gz YNAYVRNEVZRZKC-UHFFFAOYSA-N -1 1 386.289 2.250 20 0 GEADMM CC(C)COC(=O)[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000760927755 652627956 /nfs/dbraw/zinc/62/79/56/652627956.db2.gz DARZPFHRNULVIY-VIFPVBQESA-N -1 1 391.205 2.314 20 0 GEADMM CC[C@]1(O)CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000634211013 652634166 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GEADMM CSc1nc(C)c(CCC(=O)N2CCc3cc(Cl)nnc3C2)c(=O)[n-]1 ZINC000843622283 653790889 /nfs/dbraw/zinc/79/08/89/653790889.db2.gz AQXUOAADVJJJMJ-UHFFFAOYSA-N -1 1 379.873 2.173 20 0 GEADMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000821172614 653792145 /nfs/dbraw/zinc/79/21/45/653792145.db2.gz DPUDDMKOJDKDEF-UHFFFAOYSA-N -1 1 377.513 2.379 20 0 GEADMM O=S(=O)([N-]N=c1[nH]cc(C(F)(F)F)cc1Cl)c1cnn2c1OCCC2 ZINC000882661957 653795378 /nfs/dbraw/zinc/79/53/78/653795378.db2.gz DWDRDNIEUWVTNI-UHFFFAOYSA-N -1 1 397.766 2.038 20 0 GEADMM COc1cccc(S([O-])=CC(=O)OCc2c(Cl)ncnc2N(C)C)c1 ZINC000821353994 653795617 /nfs/dbraw/zinc/79/56/17/653795617.db2.gz WKBZIHUAACJCFJ-RUZDIDTESA-N -1 1 383.857 2.056 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000866440785 653795946 /nfs/dbraw/zinc/79/59/46/653795946.db2.gz JCRWSYSNLIKBMI-YGWIHHTISA-N -1 1 380.442 2.445 20 0 GEADMM Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000821375062 653796161 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YZOJTIRKWTWKIW-SECBINFHSA-N -1 1 375.230 2.463 20 0 GEADMM COc1cc(NC(=O)CSCc2ccncc2)ccc1[N-]S(C)(=O)=O ZINC000048320678 531727707 /nfs/dbraw/zinc/72/77/07/531727707.db2.gz NWALJPVPATYVKU-UHFFFAOYSA-N -1 1 381.479 2.334 20 0 GEADMM CS(=O)(=O)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000049239759 531734532 /nfs/dbraw/zinc/73/45/32/531734532.db2.gz KAWAVBIYZOPEGS-UHFFFAOYSA-N -1 1 380.702 2.360 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000055237929 531785847 /nfs/dbraw/zinc/78/58/47/531785847.db2.gz KKLJQNCBDZRFAX-ZETCQYMHSA-N -1 1 392.713 2.360 20 0 GEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000055616669 531795207 /nfs/dbraw/zinc/79/52/07/531795207.db2.gz IMYPSDIYVPDZDV-UHFFFAOYSA-N -1 1 382.463 2.239 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1OCC(N)=O ZINC000055606204 531795790 /nfs/dbraw/zinc/79/57/90/531795790.db2.gz ZTSGSVAFZKOWNA-UHFFFAOYSA-N -1 1 384.841 2.322 20 0 GEADMM O=C(Nc1nnn[n-]1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000060380420 531841459 /nfs/dbraw/zinc/84/14/59/531841459.db2.gz QAUMJWBITGRZIY-UHFFFAOYSA-N -1 1 387.197 2.467 20 0 GEADMM O=C(Nc1nn[n-]n1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000060380420 531841463 /nfs/dbraw/zinc/84/14/63/531841463.db2.gz QAUMJWBITGRZIY-UHFFFAOYSA-N -1 1 387.197 2.467 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1C ZINC000164796028 531870112 /nfs/dbraw/zinc/87/01/12/531870112.db2.gz HTYXESPINKBFJM-UHFFFAOYSA-N -1 1 392.861 2.496 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@H]1CN1CCOCC1 ZINC000094128849 531931189 /nfs/dbraw/zinc/93/11/89/531931189.db2.gz PYSHTQLEPWZKJY-AWEZNQCLSA-N -1 1 383.286 2.482 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1 ZINC000172592356 531958856 /nfs/dbraw/zinc/95/88/56/531958856.db2.gz ZETCECWHORUFCT-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM CSC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121223611 532018541 /nfs/dbraw/zinc/01/85/41/532018541.db2.gz WLDCGGYCJJYCPX-SSDOTTSWSA-N -1 1 390.271 2.120 20 0 GEADMM CN1CCN(CCOc2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000174326586 532061414 /nfs/dbraw/zinc/06/14/14/532061414.db2.gz LYILDQNLBPVEDY-UHFFFAOYSA-N -1 1 381.523 2.175 20 0 GEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)c(Br)c3)ccc21 ZINC000174764499 532078681 /nfs/dbraw/zinc/07/86/81/532078681.db2.gz OUNVOCYREGKMIY-UHFFFAOYSA-N -1 1 399.197 2.273 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCCS1(=O)=O)c1c(Cl)cccc1C(F)(F)F ZINC000123216402 532095248 /nfs/dbraw/zinc/09/52/48/532095248.db2.gz HOHZSCXPYFNCSC-QMMMGPOBSA-N -1 1 391.820 2.214 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)N1CCc2sccc2C1 ZINC000123535496 532101266 /nfs/dbraw/zinc/10/12/66/532101266.db2.gz XQJDEDVNEIAUIM-UHFFFAOYSA-N -1 1 390.408 2.029 20 0 GEADMM COc1ccc(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1Br ZINC000124383805 532119929 /nfs/dbraw/zinc/11/99/29/532119929.db2.gz IYUOGFDAACPWNX-SNVBAGLBSA-N -1 1 382.262 2.166 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000175936687 532120241 /nfs/dbraw/zinc/12/02/41/532120241.db2.gz YXFBEJSHOGLYOI-CYBMUJFWSA-N -1 1 380.901 2.486 20 0 GEADMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000175966589 532120803 /nfs/dbraw/zinc/12/08/03/532120803.db2.gz DVFSLHDCSIBSEY-UHFFFAOYSA-N -1 1 375.219 2.396 20 0 GEADMM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000124843020 532130524 /nfs/dbraw/zinc/13/05/24/532130524.db2.gz BLBPTSLNHLBZHW-SSDOTTSWSA-N -1 1 386.214 2.205 20 0 GEADMM C[C@H](NC(=O)c1cnn[nH]1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696410 532140290 /nfs/dbraw/zinc/14/02/90/532140290.db2.gz RXHRKDSBXJOFRA-JTQLQIEISA-N -1 1 377.451 2.158 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2nnc(C(F)(F)F)s2)c(=O)[n-]1 ZINC000127965554 532160293 /nfs/dbraw/zinc/16/02/93/532160293.db2.gz MXBQJYZUBQTTRC-UHFFFAOYSA-N -1 1 379.389 2.242 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129275384 532175835 /nfs/dbraw/zinc/17/58/35/532175835.db2.gz XCPSSHPOTBPFPH-WDEREUQCSA-N -1 1 380.246 2.136 20 0 GEADMM O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129257804 532176204 /nfs/dbraw/zinc/17/62/04/532176204.db2.gz UKDRKXARDRBUNX-VIFPVBQESA-N -1 1 375.230 2.463 20 0 GEADMM COCC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000178737197 532210714 /nfs/dbraw/zinc/21/07/14/532210714.db2.gz QWEBOBJCOLLURM-LBPRGKRZSA-N -1 1 375.796 2.425 20 0 GEADMM O=C(NCCC[N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(O)c1 ZINC000132791850 532220628 /nfs/dbraw/zinc/22/06/28/532220628.db2.gz YYBBPJOGIMEWCZ-UHFFFAOYSA-N -1 1 386.832 2.283 20 0 GEADMM COC[C@H](C)S(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000132764085 532220995 /nfs/dbraw/zinc/22/09/95/532220995.db2.gz LRONZLYIMFHJPW-SDBXPKJASA-N -1 1 377.825 2.214 20 0 GEADMM O=C(c1ccccn1)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000133074524 532226719 /nfs/dbraw/zinc/22/67/19/532226719.db2.gz JPBBDRMVHZABGD-LLVKDONJSA-N -1 1 383.832 2.067 20 0 GEADMM O=S(=O)([N-]CCCn1ccnc1)c1cc(Br)c(F)cc1F ZINC000179586807 532236961 /nfs/dbraw/zinc/23/69/61/532236961.db2.gz YVMLIRYFFCOSLU-UHFFFAOYSA-N -1 1 380.214 2.292 20 0 GEADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CC(N)=O)cc3)cc(Cl)c2O1 ZINC000134450177 532256348 /nfs/dbraw/zinc/25/63/48/532256348.db2.gz HSUZAUBNJUEFLZ-JTQLQIEISA-N -1 1 380.853 2.492 20 0 GEADMM CCC[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1nn[n-]n1 ZINC000136721479 532286092 /nfs/dbraw/zinc/28/60/92/532286092.db2.gz MTXAABITJFPALV-LBPRGKRZSA-N -1 1 391.229 2.075 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(C)ccc1I)c1nn[n-]n1 ZINC000136717700 532286426 /nfs/dbraw/zinc/28/64/26/532286426.db2.gz AQVVYUPRZMOYGU-LLVKDONJSA-N -1 1 385.209 2.384 20 0 GEADMM CCC[C@@H](NC(=O)c1csc(I)c1)c1nn[n-]n1 ZINC000136688108 532286779 /nfs/dbraw/zinc/28/67/79/532286779.db2.gz WQPIMCJNBPVLQF-SSDOTTSWSA-N -1 1 377.211 2.137 20 0 GEADMM CCc1ncc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])s1 ZINC000139730682 532293573 /nfs/dbraw/zinc/29/35/73/532293573.db2.gz HUGWHTOHOJQJRM-UHFFFAOYSA-N -1 1 381.479 2.448 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc[nH]c1=S ZINC000144286439 532296949 /nfs/dbraw/zinc/29/69/49/532296949.db2.gz RSJXVDQDWIKLLV-UHFFFAOYSA-N -1 1 379.463 2.487 20 0 GEADMM O=c1cc(CSc2nnc(N3CCOCC3)s2)c2ccc([O-])cc2o1 ZINC000145389886 532297355 /nfs/dbraw/zinc/29/73/55/532297355.db2.gz UACWYVZDQOYHAE-UHFFFAOYSA-N -1 1 377.447 2.479 20 0 GEADMM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000181628298 532303100 /nfs/dbraw/zinc/30/31/00/532303100.db2.gz ZUYBBIFKLSPQNP-UHFFFAOYSA-N -1 1 379.182 2.227 20 0 GEADMM O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cccc(F)c1 ZINC000150868524 532303589 /nfs/dbraw/zinc/30/35/89/532303589.db2.gz KFAUSHGDSKYYJI-UHFFFAOYSA-N -1 1 388.417 2.206 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)co1 ZINC000182119379 532309619 /nfs/dbraw/zinc/30/96/19/532309619.db2.gz MVACUEQKRKHHTO-ZDUSSCGKSA-N -1 1 384.841 2.485 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1nc[nH]n1 ZINC000183201614 532322064 /nfs/dbraw/zinc/32/20/64/532322064.db2.gz UCKPZXOKGVZDRT-YFKPBYRVSA-N -1 1 383.630 2.399 20 0 GEADMM CCOc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc(Cl)c1[O-] ZINC000186807647 532341996 /nfs/dbraw/zinc/34/19/96/532341996.db2.gz AWCHRBIETZQNFM-SNVBAGLBSA-N -1 1 380.750 2.337 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(Cc3ccccc3)cs2)co1 ZINC000184498682 532333207 /nfs/dbraw/zinc/33/32/07/532333207.db2.gz QAQISCCWGXCGRY-UHFFFAOYSA-N -1 1 377.447 2.487 20 0 GEADMM C[C@@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)CCN1 ZINC000189005386 532350492 /nfs/dbraw/zinc/35/04/92/532350492.db2.gz ZEQUGOADWJSQNA-SSDOTTSWSA-N -1 1 378.064 2.351 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)N1CCCC1 ZINC000190642259 532357254 /nfs/dbraw/zinc/35/72/54/532357254.db2.gz PQBAONKSPLKUCE-UHFFFAOYSA-N -1 1 399.669 2.142 20 0 GEADMM O=S(=O)([N-]CCCn1ccnn1)c1cc(Cl)c(Br)cc1F ZINC000190881515 532358561 /nfs/dbraw/zinc/35/85/61/532358561.db2.gz CWNBRXUAKATJPS-UHFFFAOYSA-N -1 1 397.657 2.202 20 0 GEADMM O=S(=O)([N-]CCOCC(F)F)c1cc(Br)c(F)cc1F ZINC000190962297 532358933 /nfs/dbraw/zinc/35/89/33/532358933.db2.gz GPNGAUAXBWWALR-UHFFFAOYSA-N -1 1 380.157 2.287 20 0 GEADMM CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000190986472 532359082 /nfs/dbraw/zinc/35/90/82/532359082.db2.gz WVDNYYWPYQGIRU-UHFFFAOYSA-N -1 1 376.406 2.119 20 0 GEADMM O=S(=O)([N-]CCOCCO)c1ccc(Br)c(Cl)c1Cl ZINC000187271352 532343967 /nfs/dbraw/zinc/34/39/67/532343967.db2.gz GFYBVQVYKFWHPQ-UHFFFAOYSA-N -1 1 393.086 2.043 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)cc2)c(F)c1 ZINC000425202872 532373632 /nfs/dbraw/zinc/37/36/32/532373632.db2.gz MYFWQSLIMJGVEA-GFCCVEGCSA-N -1 1 375.368 2.131 20 0 GEADMM C[C@]1(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)NC(=O)NC1=O ZINC000515409869 532362531 /nfs/dbraw/zinc/36/25/31/532362531.db2.gz OCCOZDDCWWJTPK-MRXNPFEDSA-N -1 1 379.825 2.195 20 0 GEADMM Cc1cc(N2C[C@@H](C(=O)[N-]OC[C@H]3CCOC3)CC2=O)ccc1Br ZINC000191800592 532367966 /nfs/dbraw/zinc/36/79/66/532367966.db2.gz OFORDXDQPOGHMJ-STQMWFEESA-N -1 1 397.269 2.195 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nncs2)cc1)C1CCOCC1 ZINC000647132176 532368173 /nfs/dbraw/zinc/36/81/73/532368173.db2.gz YGDSWJBMPRSNNS-HNNXBMFYSA-N -1 1 383.495 2.388 20 0 GEADMM Cn1[n-]c(CN2CCC[C@@H]2c2ccc(I)cc2)nc1=O ZINC000515556733 532369828 /nfs/dbraw/zinc/36/98/28/532369828.db2.gz MOXXSNKUPFODJK-GFCCVEGCSA-N -1 1 384.221 2.050 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nn(C)cc2Br)c(F)c1 ZINC000425191064 532370297 /nfs/dbraw/zinc/37/02/97/532370297.db2.gz WLNSVHDFOALRKT-UHFFFAOYSA-N -1 1 380.214 2.248 20 0 GEADMM COc1cc(Cl)c(Br)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000192209542 532395208 /nfs/dbraw/zinc/39/52/08/532395208.db2.gz JCTYZWWASKJSQH-ZETCQYMHSA-N -1 1 388.653 2.500 20 0 GEADMM CCOC(=O)c1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1C ZINC000278500032 532381962 /nfs/dbraw/zinc/38/19/62/532381962.db2.gz CQOIDXVBOMDSAH-UHFFFAOYSA-N -1 1 375.809 2.331 20 0 GEADMM O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425318023 532383444 /nfs/dbraw/zinc/38/34/44/532383444.db2.gz GZHCCUFHGKOGAF-CYBMUJFWSA-N -1 1 394.225 2.247 20 0 GEADMM O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318023 532383450 /nfs/dbraw/zinc/38/34/50/532383450.db2.gz GZHCCUFHGKOGAF-CYBMUJFWSA-N -1 1 394.225 2.247 20 0 GEADMM Cn1cccc1C(=O)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000677865127 532384055 /nfs/dbraw/zinc/38/40/55/532384055.db2.gz LOTWXIIHUOEWEO-UHFFFAOYSA-N -1 1 392.253 2.091 20 0 GEADMM O=C(c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1F)N1CCCC1 ZINC000192134698 532386961 /nfs/dbraw/zinc/38/69/61/532386961.db2.gz YMSBFBIJLPWAJS-UHFFFAOYSA-N -1 1 386.342 2.240 20 0 GEADMM CCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)C[C@H](C)OC)CC1 ZINC000294919318 532391042 /nfs/dbraw/zinc/39/10/42/532391042.db2.gz CEZGMRROKXTPCH-ZDUSSCGKSA-N -1 1 375.922 2.259 20 0 GEADMM CC(C)n1ncnc1CNC(=O)c1cc(I)ccc1[O-] ZINC000591079489 532398507 /nfs/dbraw/zinc/39/85/07/532398507.db2.gz DEAFPOGSAPYOLH-UHFFFAOYSA-N -1 1 386.193 2.099 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(C(=O)Nc3ccccc3)C2)sc1C ZINC000558695424 532397449 /nfs/dbraw/zinc/39/74/49/532397449.db2.gz FKLTXOGFEGHZHO-AWEZNQCLSA-N -1 1 380.495 2.345 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)o1 ZINC000464569663 532399067 /nfs/dbraw/zinc/39/90/67/532399067.db2.gz KPGOXTJMCOVWFK-UHFFFAOYSA-N -1 1 399.226 2.079 20 0 GEADMM O=C([O-])CN(Cc1cccc(Br)c1)C[C@H]1CCCS(=O)(=O)C1 ZINC000517036003 532403676 /nfs/dbraw/zinc/40/36/76/532403676.db2.gz WRBMDIOSXTURHF-CYBMUJFWSA-N -1 1 390.299 2.161 20 0 GEADMM O=C(c1cc(Br)c(F)cc1[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000295107547 532403427 /nfs/dbraw/zinc/40/34/27/532403427.db2.gz KYLDYNXKVLIJKT-LLVKDONJSA-N -1 1 387.249 2.088 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(OCC(N)=O)cc3)cc2s1 ZINC000427105035 532411802 /nfs/dbraw/zinc/41/18/02/532411802.db2.gz ULLAJZMZWGODPK-UHFFFAOYSA-N -1 1 377.447 2.270 20 0 GEADMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000517448144 532418539 /nfs/dbraw/zinc/41/85/39/532418539.db2.gz ANTXQIPGPOGERC-UHFFFAOYSA-N -1 1 383.323 2.394 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1 ZINC000295209595 532419086 /nfs/dbraw/zinc/41/90/86/532419086.db2.gz OWBNORBPPDUKPR-AWEZNQCLSA-N -1 1 381.475 2.395 20 0 GEADMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])[C@H](O)C(F)(F)F ZINC000591784804 532423548 /nfs/dbraw/zinc/42/35/48/532423548.db2.gz KFJVDSFPUMIQEP-ANLVUFKYSA-N -1 1 389.111 2.038 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C2CCC2)c(F)c1 ZINC000649870449 532428619 /nfs/dbraw/zinc/42/86/19/532428619.db2.gz XTKNXQROUNDQFZ-LLVKDONJSA-N -1 1 378.491 2.444 20 0 GEADMM CN(CC[N@H+](C)Cc1cc(O)ccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000625452863 532428637 /nfs/dbraw/zinc/42/86/37/532428637.db2.gz BWRPSTPZSHYETP-UHFFFAOYSA-N -1 1 383.901 2.261 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1ccc(Cl)c(F)c1 ZINC000592042120 532436507 /nfs/dbraw/zinc/43/65/07/532436507.db2.gz YGVUWPAZBHZBMS-UONOGXRCSA-N -1 1 381.853 2.284 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000427896303 532436819 /nfs/dbraw/zinc/43/68/19/532436819.db2.gz NRNAVIRNWWANNW-UHFFFAOYSA-N -1 1 378.303 2.109 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)NCCF ZINC000281839823 532437521 /nfs/dbraw/zinc/43/75/21/532437521.db2.gz AMPOQJKUOAZSEV-LURJTMIESA-N -1 1 377.652 2.399 20 0 GEADMM O=C(NCCOc1cccc(Br)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000194271163 532445033 /nfs/dbraw/zinc/44/50/33/532445033.db2.gz VAVVIXASCZOYQV-UHFFFAOYSA-N -1 1 388.221 2.494 20 0 GEADMM COC(=O)c1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)c1Cl ZINC000592353109 532450555 /nfs/dbraw/zinc/45/05/55/532450555.db2.gz TZEQJLJXJIAOIT-CQSZACIVSA-N -1 1 391.873 2.310 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)NCCF ZINC000282390439 532462182 /nfs/dbraw/zinc/46/21/82/532462182.db2.gz RJGJDWCQEFVQOE-ZETCQYMHSA-N -1 1 376.759 2.111 20 0 GEADMM CCOC(=O)Cc1csc(NC(=O)CSc2nc(CC)cc(=O)[n-]2)n1 ZINC000428705468 532459416 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CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@@H](O)C(F)F ZINC000295715588 532470916 /nfs/dbraw/zinc/47/09/16/532470916.db2.gz LESZKEFJNPXAIK-WCBMZHEXSA-N -1 1 376.194 2.271 20 0 GEADMM O=C(NCCCCn1ccnc1)c1cc(I)ccc1[O-] ZINC000219392931 532483456 /nfs/dbraw/zinc/48/34/56/532483456.db2.gz MSNQIWDXXOTRRC-UHFFFAOYSA-N -1 1 385.205 2.404 20 0 GEADMM C[C@@H](CO)C1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000593829373 532496928 /nfs/dbraw/zinc/49/69/28/532496928.db2.gz DPIPDVDHQQSYDP-JTQLQIEISA-N -1 1 389.233 2.477 20 0 GEADMM CCOC1(CS(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC)c2)CCOCC1 ZINC000629287376 532485039 /nfs/dbraw/zinc/48/50/39/532485039.db2.gz MKVJQHYTXBZMMK-UHFFFAOYSA-N -1 1 390.889 2.027 20 0 GEADMM Cc1ccc(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1C ZINC000282689319 532487943 /nfs/dbraw/zinc/48/79/43/532487943.db2.gz RKLLACWGJHGNMW-UHFFFAOYSA-N -1 1 378.416 2.383 20 0 GEADMM O=S(=O)([N-]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1Cl ZINC000228543294 532489479 /nfs/dbraw/zinc/48/94/79/532489479.db2.gz 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/nfs/dbraw/zinc/88/15/48/532881548.db2.gz OUPYOVCDTXQQSY-NSHDSACASA-N -1 1 396.481 2.182 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[C@H](C)C2)nc1 ZINC000349560019 532882587 /nfs/dbraw/zinc/88/25/87/532882587.db2.gz ACHKKZKFVXMSBO-ZFWWWQNUSA-N -1 1 389.543 2.020 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000349559972 532882927 /nfs/dbraw/zinc/88/29/27/532882927.db2.gz AOGRPLQNWVVBBK-LSDHHAIUSA-N -1 1 389.543 2.020 20 0 GEADMM CC1(C)CCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349594170 532883438 /nfs/dbraw/zinc/88/34/38/532883438.db2.gz RUQIUCUVULMTQC-AWEZNQCLSA-N -1 1 389.543 2.102 20 0 GEADMM C[C@H]1CC[C@H](N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349598775 532883587 /nfs/dbraw/zinc/88/35/87/532883587.db2.gz IBBNKKYRGAVDFU-GJZGRUSLSA-N -1 1 389.543 2.054 20 0 GEADMM CCC(=O)N[C@H](CCSC)C(=O)Nc1nc(Br)ccc1[O-] ZINC000275906347 532885800 /nfs/dbraw/zinc/88/58/00/532885800.db2.gz RSALYCOALPRWFK-MRVPVSSYSA-N -1 1 376.276 2.136 20 0 GEADMM CCSc1nccnc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000350574142 532886359 /nfs/dbraw/zinc/88/63/59/532886359.db2.gz CQFHQSSQWMXELB-UHFFFAOYSA-N -1 1 383.480 2.179 20 0 GEADMM C[S@@](=O)Cc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000350570407 532886463 /nfs/dbraw/zinc/88/64/63/532886463.db2.gz VPUCHNUKZWIAEV-XMMPIXPASA-N -1 1 399.475 2.183 20 0 GEADMM Cc1nc(CCNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000290722020 532887807 /nfs/dbraw/zinc/88/78/07/532887807.db2.gz PNMATJUDHIRHRH-NSHDSACASA-N -1 1 378.420 2.094 20 0 GEADMM COc1cc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)ccc1F ZINC000276261281 532892123 /nfs/dbraw/zinc/89/21/23/532892123.db2.gz SRRRYNSZZYMXLC-UHFFFAOYSA-N -1 1 387.454 2.222 20 0 GEADMM Cn1nccc1[C@H](NCc1cc(Br)c2c(c1)OCCCO2)C(=O)[O-] ZINC000424617963 532896238 /nfs/dbraw/zinc/89/62/38/532896238.db2.gz JFDWDXUIVVQZPR-AWEZNQCLSA-N -1 1 396.241 2.259 20 0 GEADMM O=C(CSc1n[nH]c(=S)s1)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363170253 532896989 /nfs/dbraw/zinc/89/69/89/532896989.db2.gz FGKXHYQGASGSOT-CYBMUJFWSA-N -1 1 395.579 2.342 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000363342479 532898632 /nfs/dbraw/zinc/89/86/32/532898632.db2.gz CXGQQLUIDUOEBA-OAHLLOKOSA-N -1 1 397.269 2.008 20 0 GEADMM COc1cc(Cl)c(S(=O)(=O)NCCN2CCC(C)CC2)cc1C(=O)[O-] ZINC000276911727 532903369 /nfs/dbraw/zinc/90/33/69/532903369.db2.gz QGYFCMLQRIBEQV-UHFFFAOYSA-N -1 1 390.889 2.057 20 0 GEADMM C[C@@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)N1CCc2sccc2C1 ZINC000276956839 532904404 /nfs/dbraw/zinc/90/44/04/532904404.db2.gz CWKBTUBJBQGEEQ-JTQLQIEISA-N -1 1 377.432 2.068 20 0 GEADMM CSc1nc(=NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)s[n-]1 ZINC000366265738 532915673 /nfs/dbraw/zinc/91/56/73/532915673.db2.gz FZPOOHJSQYGASW-CYBMUJFWSA-N -1 1 378.527 2.111 20 0 GEADMM CSc1nc(=NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)s[n-]1 ZINC000366265738 532915675 /nfs/dbraw/zinc/91/56/75/532915675.db2.gz FZPOOHJSQYGASW-CYBMUJFWSA-N -1 1 378.527 2.111 20 0 GEADMM CC(=O)N1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@H](C)C1 ZINC000292282703 532914674 /nfs/dbraw/zinc/91/46/74/532914674.db2.gz UXFSGQFQKIHMIL-SNVBAGLBSA-N -1 1 392.253 2.396 20 0 GEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CSCc1ccncc1 ZINC000292626041 532917105 /nfs/dbraw/zinc/91/71/05/532917105.db2.gz VCVXWWWJXYSWIW-DGCLKSJQSA-N -1 1 375.416 2.373 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1nc(-c2cccc(F)c2)no1 ZINC000366577527 532919096 /nfs/dbraw/zinc/91/90/96/532919096.db2.gz IEKVFLOFGDUGOP-QMMMGPOBSA-N -1 1 385.808 2.302 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)c1nc(-c2cccc(F)c2)no1 ZINC000366577520 532919187 /nfs/dbraw/zinc/91/91/87/532919187.db2.gz IEKVFLOFGDUGOP-MRVPVSSYSA-N -1 1 385.808 2.302 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)co1 ZINC000366741641 532920725 /nfs/dbraw/zinc/92/07/25/532920725.db2.gz XOEHNXSMLDLEMA-JTQLQIEISA-N -1 1 390.870 2.116 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)co1 ZINC000366741651 532920947 /nfs/dbraw/zinc/92/09/47/532920947.db2.gz XOEHNXSMLDLEMA-SNVBAGLBSA-N -1 1 390.870 2.116 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@H]1OCCc2sccc21 ZINC000293030176 532921381 /nfs/dbraw/zinc/92/13/81/532921381.db2.gz IWUZIQHVDALLDY-PRHODGIISA-N -1 1 395.428 2.481 20 0 GEADMM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000293423981 532926607 /nfs/dbraw/zinc/92/66/07/532926607.db2.gz IWTJTZBECAXSML-LLVKDONJSA-N -1 1 377.388 2.493 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)Oc1ccc(F)cc1 ZINC000293384250 532925923 /nfs/dbraw/zinc/92/59/23/532925923.db2.gz GNDBCOIZRYCOGL-VIFPVBQESA-N -1 1 381.351 2.324 20 0 GEADMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000294040105 532935074 /nfs/dbraw/zinc/93/50/74/532935074.db2.gz LSSKMHTYKXJJHG-LLVKDONJSA-N -1 1 377.388 2.493 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368911524 532935500 /nfs/dbraw/zinc/93/55/00/532935500.db2.gz QEEGPOCFYMBKKO-HNNXBMFYSA-N -1 1 397.269 2.008 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CCCN1C(=O)c1ccncc1 ZINC000370476729 532943699 /nfs/dbraw/zinc/94/36/99/532943699.db2.gz OSJOCIKTDBYZOS-LLVKDONJSA-N -1 1 391.225 2.188 20 0 GEADMM CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000370569744 532944217 /nfs/dbraw/zinc/94/42/17/532944217.db2.gz UFSZIEXROQPVPB-GOEBONIOSA-N -1 1 386.901 2.385 20 0 GEADMM O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(Br)cc1[O-] ZINC000370600568 532944473 /nfs/dbraw/zinc/94/44/73/532944473.db2.gz YRCHYHIKRNCLMM-CYBMUJFWSA-N -1 1 390.237 2.194 20 0 GEADMM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000371454138 532948172 /nfs/dbraw/zinc/94/81/72/532948172.db2.gz FHUDWVSTQUYXQE-ZETCQYMHSA-N -1 1 378.603 2.079 20 0 GEADMM Cc1cc2cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)oc2c(Br)c1 ZINC000371700261 532949376 /nfs/dbraw/zinc/94/93/76/532949376.db2.gz NWXXYXTYDOCQIM-GFCCVEGCSA-N -1 1 392.213 2.231 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cc[n+]([O-])cc1 ZINC000738112764 598835116 /nfs/dbraw/zinc/83/51/16/598835116.db2.gz RSXJDQPCSMKKAF-UHFFFAOYSA-N -1 1 378.417 2.159 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2cc(F)cc(F)c21 ZINC000738353040 598842814 /nfs/dbraw/zinc/84/28/14/598842814.db2.gz BYUGNIMLTXQSJW-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2cc(F)cc(F)c21 ZINC000738353040 598842816 /nfs/dbraw/zinc/84/28/16/598842816.db2.gz BYUGNIMLTXQSJW-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2cc(F)c(F)cc21 ZINC000738352998 598842943 /nfs/dbraw/zinc/84/29/43/598842943.db2.gz BEWNLLMDQDFJRY-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2cc(F)c(F)cc21 ZINC000738352998 598842944 /nfs/dbraw/zinc/84/29/44/598842944.db2.gz BEWNLLMDQDFJRY-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM CN(CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C(=O)C1CC1 ZINC000736784919 598847084 /nfs/dbraw/zinc/84/70/84/598847084.db2.gz ZCHMURPRRKPVEE-UHFFFAOYSA-N -1 1 396.476 2.080 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](C)Oc1ccccc1 ZINC000737200293 598864434 /nfs/dbraw/zinc/86/44/34/598864434.db2.gz LDTORUXAELWIKR-GFCCVEGCSA-N -1 1 396.451 2.100 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000737547227 598868952 /nfs/dbraw/zinc/86/89/52/598868952.db2.gz IPRCKIJJHFYDTI-UHFFFAOYSA-N -1 1 389.375 2.306 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000737547227 598868953 /nfs/dbraw/zinc/86/89/53/598868953.db2.gz IPRCKIJJHFYDTI-UHFFFAOYSA-N -1 1 389.375 2.306 20 0 GEADMM COc1ccccc1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737150764 598873588 /nfs/dbraw/zinc/87/35/88/598873588.db2.gz UVORLYCBRYWMJH-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM COc1ccccc1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737150764 598873589 /nfs/dbraw/zinc/87/35/89/598873589.db2.gz UVORLYCBRYWMJH-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM CCOCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736627309 598875396 /nfs/dbraw/zinc/87/53/96/598875396.db2.gz SPXIPUJNJVZIGI-UHFFFAOYSA-N -1 1 393.494 2.051 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c(Cl)cccc2C1 ZINC000738355316 598876547 /nfs/dbraw/zinc/87/65/47/598876547.db2.gz OKFURTCIJKARRV-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM CC(C)N(C)S(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735859570 598876605 /nfs/dbraw/zinc/87/66/05/598876605.db2.gz XGIPNVSWRXPDEU-UHFFFAOYSA-N -1 1 392.510 2.270 20 0 GEADMM O=S(=O)(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cccnc1 ZINC000738345929 598877621 /nfs/dbraw/zinc/87/76/21/598877621.db2.gz RXFVHQCWYGOYKI-UHFFFAOYSA-N -1 1 398.473 2.469 20 0 GEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)c2)n[nH]1 ZINC000737463410 598930689 /nfs/dbraw/zinc/93/06/89/598930689.db2.gz REGPAUPQFORALY-UHFFFAOYSA-N -1 1 396.436 2.069 20 0 GEADMM COC(=O)c1ccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736947992 598936334 /nfs/dbraw/zinc/93/63/34/598936334.db2.gz SDYBFZPQUQOLEC-UHFFFAOYSA-N -1 1 375.392 2.233 20 0 GEADMM COC(=O)c1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736947992 598936336 /nfs/dbraw/zinc/93/63/36/598936336.db2.gz SDYBFZPQUQOLEC-UHFFFAOYSA-N -1 1 375.392 2.233 20 0 GEADMM COc1cc(OC)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c(OC)c1 ZINC000737053023 598937176 /nfs/dbraw/zinc/93/71/76/598937176.db2.gz YFNOHOYDKCRVRA-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM COc1cc(OC)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c(OC)c1 ZINC000737053023 598937177 /nfs/dbraw/zinc/93/71/77/598937177.db2.gz YFNOHOYDKCRVRA-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM O=C(CC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737823343 598937209 /nfs/dbraw/zinc/93/72/09/598937209.db2.gz QVPIGARYXLUFSQ-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM O=C(CC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737823343 598937210 /nfs/dbraw/zinc/93/72/10/598937210.db2.gz QVPIGARYXLUFSQ-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000737223758 598947407 /nfs/dbraw/zinc/94/74/07/598947407.db2.gz FQFNTYUMEKATQS-UHFFFAOYSA-N -1 1 395.347 2.297 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000737225917 598947646 /nfs/dbraw/zinc/94/76/46/598947646.db2.gz VQJNSZLYNSYDPR-UHFFFAOYSA-N -1 1 387.421 2.483 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736422925 598962794 /nfs/dbraw/zinc/96/27/94/598962794.db2.gz KZFROXJVGRWZGC-KGLIPLIRSA-N -1 1 394.483 2.331 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736422925 598962796 /nfs/dbraw/zinc/96/27/96/598962796.db2.gz KZFROXJVGRWZGC-KGLIPLIRSA-N -1 1 394.483 2.331 20 0 GEADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736422926 598963029 /nfs/dbraw/zinc/96/30/29/598963029.db2.gz KZFROXJVGRWZGC-UONOGXRCSA-N -1 1 394.483 2.331 20 0 GEADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736422926 598963030 /nfs/dbraw/zinc/96/30/30/598963030.db2.gz KZFROXJVGRWZGC-UONOGXRCSA-N -1 1 394.483 2.331 20 0 GEADMM COc1ccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c(OC)c1 ZINC000737090182 598963590 /nfs/dbraw/zinc/96/35/90/598963590.db2.gz JFSYZPWOXIXPGW-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM COc1ccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c(OC)c1 ZINC000737090182 598963592 /nfs/dbraw/zinc/96/35/92/598963592.db2.gz JFSYZPWOXIXPGW-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM COC(=O)CCOc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736919631 598963843 /nfs/dbraw/zinc/96/38/43/598963843.db2.gz UYMGFLHPBBKOOP-UHFFFAOYSA-N -1 1 391.391 2.495 20 0 GEADMM COC(=O)CCOc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736919631 598963844 /nfs/dbraw/zinc/96/38/44/598963844.db2.gz UYMGFLHPBBKOOP-UHFFFAOYSA-N -1 1 391.391 2.495 20 0 GEADMM O=C1[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000738294562 598964059 /nfs/dbraw/zinc/96/40/59/598964059.db2.gz DHICHDBGCCIFMM-INIZCTEOSA-N -1 1 386.419 2.023 20 0 GEADMM O=C1[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000738294562 598964062 /nfs/dbraw/zinc/96/40/62/598964062.db2.gz DHICHDBGCCIFMM-INIZCTEOSA-N -1 1 386.419 2.023 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2Nc1cccc(CN2CCOCC2)c1 ZINC000738410343 598964420 /nfs/dbraw/zinc/96/44/20/598964420.db2.gz KAMSRPCWTNRIOG-UHFFFAOYSA-N -1 1 388.435 2.386 20 0 GEADMM Cc1csc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000737453762 598967516 /nfs/dbraw/zinc/96/75/16/598967516.db2.gz YRPYJAJRASKPHD-LBPRGKRZSA-N -1 1 393.480 2.290 20 0 GEADMM Cc1csc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000737453762 598967519 /nfs/dbraw/zinc/96/75/19/598967519.db2.gz YRPYJAJRASKPHD-LBPRGKRZSA-N -1 1 393.480 2.290 20 0 GEADMM COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCCC2 ZINC000736941796 598984463 /nfs/dbraw/zinc/98/44/63/598984463.db2.gz VEYWNWOYOPWIJS-UHFFFAOYSA-N -1 1 384.421 2.241 20 0 GEADMM COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)nc1)CCCC2 ZINC000736941796 598984464 /nfs/dbraw/zinc/98/44/64/598984464.db2.gz VEYWNWOYOPWIJS-UHFFFAOYSA-N -1 1 384.421 2.241 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737073694 598985426 /nfs/dbraw/zinc/98/54/26/598985426.db2.gz BAALZLFMLUZWBM-INIZCTEOSA-N -1 1 380.408 2.256 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737073694 598985428 /nfs/dbraw/zinc/98/54/28/598985428.db2.gz BAALZLFMLUZWBM-INIZCTEOSA-N -1 1 380.408 2.256 20 0 GEADMM CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735892054 598985804 /nfs/dbraw/zinc/98/58/04/598985804.db2.gz CIVQVQFHSIHEIB-MRXNPFEDSA-N -1 1 380.408 2.075 20 0 GEADMM CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735892054 598985806 /nfs/dbraw/zinc/98/58/06/598985806.db2.gz CIVQVQFHSIHEIB-MRXNPFEDSA-N -1 1 380.408 2.075 20 0 GEADMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736317936 598991848 /nfs/dbraw/zinc/99/18/48/598991848.db2.gz APYSJNHOCRONTK-LBPRGKRZSA-N -1 1 379.424 2.176 20 0 GEADMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736317936 598991849 /nfs/dbraw/zinc/99/18/49/598991849.db2.gz APYSJNHOCRONTK-LBPRGKRZSA-N -1 1 379.424 2.176 20 0 GEADMM CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000736277304 598995307 /nfs/dbraw/zinc/99/53/07/598995307.db2.gz MBRXYXCTSDYJQC-UHFFFAOYSA-N -1 1 391.435 2.386 20 0 GEADMM CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)CC1 ZINC000736277304 598995308 /nfs/dbraw/zinc/99/53/08/598995308.db2.gz MBRXYXCTSDYJQC-UHFFFAOYSA-N -1 1 391.435 2.386 20 0 GEADMM CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736617345 599001619 /nfs/dbraw/zinc/00/16/19/599001619.db2.gz DBNGLTKHLQPDDB-UHFFFAOYSA-N -1 1 392.423 2.290 20 0 GEADMM CCOCCCn1c2ccccc2nc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736617345 599001621 /nfs/dbraw/zinc/00/16/21/599001621.db2.gz DBNGLTKHLQPDDB-UHFFFAOYSA-N -1 1 392.423 2.290 20 0 GEADMM CN(CCc1ccc(Br)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736804397 599004521 /nfs/dbraw/zinc/00/45/21/599004521.db2.gz MWQCJYYXVQJXPG-UHFFFAOYSA-N -1 1 387.241 2.339 20 0 GEADMM CN(CCc1ccc(Br)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736804397 599004522 /nfs/dbraw/zinc/00/45/22/599004522.db2.gz MWQCJYYXVQJXPG-UHFFFAOYSA-N -1 1 387.241 2.339 20 0 GEADMM Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737342071 599008762 /nfs/dbraw/zinc/00/87/62/599008762.db2.gz OLFWQCZPVSWPHE-UHFFFAOYSA-N -1 1 384.465 2.232 20 0 GEADMM Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737342071 599008764 /nfs/dbraw/zinc/00/87/64/599008764.db2.gz OLFWQCZPVSWPHE-UHFFFAOYSA-N -1 1 384.465 2.232 20 0 GEADMM C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735998524 599009945 /nfs/dbraw/zinc/00/99/45/599009945.db2.gz OZLSBRWVGNSTBG-SNVBAGLBSA-N -1 1 386.416 2.282 20 0 GEADMM C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735998524 599009947 /nfs/dbraw/zinc/00/99/47/599009947.db2.gz OZLSBRWVGNSTBG-SNVBAGLBSA-N -1 1 386.416 2.282 20 0 GEADMM COc1ccc(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737067482 599020778 /nfs/dbraw/zinc/02/07/78/599020778.db2.gz ZGOPFRQVPOYIFE-UHFFFAOYSA-N -1 1 392.419 2.005 20 0 GEADMM COc1ccc(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737067482 599020780 /nfs/dbraw/zinc/02/07/80/599020780.db2.gz ZGOPFRQVPOYIFE-UHFFFAOYSA-N -1 1 392.419 2.005 20 0 GEADMM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738247055 599023498 /nfs/dbraw/zinc/02/34/98/599023498.db2.gz MRDRAJQVLUKNCX-UHFFFAOYSA-N -1 1 398.373 2.275 20 0 GEADMM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738247055 599023499 /nfs/dbraw/zinc/02/34/99/599023499.db2.gz MRDRAJQVLUKNCX-UHFFFAOYSA-N -1 1 398.373 2.275 20 0 GEADMM Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737564643 599024013 /nfs/dbraw/zinc/02/40/13/599024013.db2.gz WQSCYENNHUPWRS-UHFFFAOYSA-N -1 1 390.363 2.063 20 0 GEADMM Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737564643 599024014 /nfs/dbraw/zinc/02/40/14/599024014.db2.gz WQSCYENNHUPWRS-UHFFFAOYSA-N -1 1 390.363 2.063 20 0 GEADMM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736296842 599025298 /nfs/dbraw/zinc/02/52/98/599025298.db2.gz KAZWXNWVWIWKQL-AWEZNQCLSA-N -1 1 389.463 2.318 20 0 GEADMM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736296842 599025299 /nfs/dbraw/zinc/02/52/99/599025299.db2.gz KAZWXNWVWIWKQL-AWEZNQCLSA-N -1 1 389.463 2.318 20 0 GEADMM Cc1nn2cc(CCCOC(=O)c3sccc3-c3nn[n-]n3)cnc2c1C ZINC000737520167 599026533 /nfs/dbraw/zinc/02/65/33/599026533.db2.gz BVSODMUMDLPANX-UHFFFAOYSA-N -1 1 383.437 2.377 20 0 GEADMM CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2c1 ZINC000735489142 599028713 /nfs/dbraw/zinc/02/87/13/599028713.db2.gz SZCYQEHTUUWREA-UHFFFAOYSA-N -1 1 380.393 2.082 20 0 GEADMM CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2c1 ZINC000735489142 599028714 /nfs/dbraw/zinc/02/87/14/599028714.db2.gz SZCYQEHTUUWREA-UHFFFAOYSA-N -1 1 380.393 2.082 20 0 GEADMM O=C(OCCCF)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738222528 599062280 /nfs/dbraw/zinc/06/22/80/599062280.db2.gz RZDNYAOBNKSFJW-UHFFFAOYSA-N -1 1 390.375 2.234 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC(C)(C)CC1 ZINC000737486861 599095046 /nfs/dbraw/zinc/09/50/46/599095046.db2.gz GACLZXRXUZUWKH-UHFFFAOYSA-N -1 1 396.499 2.498 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC(C)(C)CC1 ZINC000737486861 599095049 /nfs/dbraw/zinc/09/50/49/599095049.db2.gz GACLZXRXUZUWKH-UHFFFAOYSA-N -1 1 396.499 2.498 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC1CCCCCC1 ZINC000735735361 599133978 /nfs/dbraw/zinc/13/39/78/599133978.db2.gz SPOABPQCKFLQDT-MRXNPFEDSA-N -1 1 386.456 2.282 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC1CCCCCC1 ZINC000735735361 599133979 /nfs/dbraw/zinc/13/39/79/599133979.db2.gz SPOABPQCKFLQDT-MRXNPFEDSA-N -1 1 386.456 2.282 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)C1CCCCC1 ZINC000735735343 599134119 /nfs/dbraw/zinc/13/41/19/599134119.db2.gz SGKJFBIVONETAS-MRXNPFEDSA-N -1 1 386.456 2.234 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)C1CCCCC1 ZINC000735735343 599134121 /nfs/dbraw/zinc/13/41/21/599134121.db2.gz SGKJFBIVONETAS-MRXNPFEDSA-N -1 1 386.456 2.234 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cc(Cl)ccc1Cl ZINC000737909593 599135027 /nfs/dbraw/zinc/13/50/27/599135027.db2.gz UVYLSDOFXQHTFU-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cc(Cl)ccc1Cl ZINC000737909593 599135028 /nfs/dbraw/zinc/13/50/28/599135028.db2.gz UVYLSDOFXQHTFU-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM C/C(=C\C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC000819764177 599140994 /nfs/dbraw/zinc/14/09/94/599140994.db2.gz GPLLNVLCTNSFFP-VAWYXSNFSA-N -1 1 385.472 2.373 20 0 GEADMM O=C(O[C@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738213822 599153247 /nfs/dbraw/zinc/15/32/47/599153247.db2.gz HUHIOMATBOMMTF-OAHLLOKOSA-N -1 1 396.798 2.105 20 0 GEADMM O=C(O[C@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738213822 599153249 /nfs/dbraw/zinc/15/32/49/599153249.db2.gz HUHIOMATBOMMTF-OAHLLOKOSA-N -1 1 396.798 2.105 20 0 GEADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)NC(C2CC2)C2CC2)o1 ZINC000735851560 599157914 /nfs/dbraw/zinc/15/79/14/599157914.db2.gz ZSCFTLKDUIYZFS-UHFFFAOYSA-N -1 1 376.490 2.033 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2ccccc2CC1 ZINC000737198814 599162975 /nfs/dbraw/zinc/16/29/75/599162975.db2.gz DPCJDTXCSTTYQK-UHFFFAOYSA-N -1 1 392.463 2.144 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(C[C@@H]2CCCOC2)c2ccc(Br)cc12 ZINC000823657141 607259405 /nfs/dbraw/zinc/25/94/05/607259405.db2.gz OKXFPUHGGYMPIF-JTQLQIEISA-N -1 1 390.241 2.371 20 0 GEADMM O=C(Nc1nn[n-]n1)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000738208497 599215054 /nfs/dbraw/zinc/21/50/54/599215054.db2.gz NZELCFVBGSDTEF-UHFFFAOYSA-N -1 1 383.759 2.078 20 0 GEADMM CCSCC[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821455030 599218311 /nfs/dbraw/zinc/21/83/11/599218311.db2.gz IKNGLKKROBUYFY-SNVBAGLBSA-N -1 1 378.502 2.165 20 0 GEADMM CCc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)[O-])ccc2OC)cc1 ZINC000737908567 596983573 /nfs/dbraw/zinc/98/35/73/596983573.db2.gz YVBDFHDIUKFEGA-UHFFFAOYSA-N -1 1 393.417 2.300 20 0 GEADMM O=C([O-])C1(NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCCC1 ZINC000740374954 597079905 /nfs/dbraw/zinc/07/99/05/597079905.db2.gz GBPFQXJZAZJUSN-MRXNPFEDSA-N -1 1 388.464 2.498 20 0 GEADMM O=C([O-])CSCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000578866473 597087814 /nfs/dbraw/zinc/08/78/14/597087814.db2.gz PBSPXBMDXPUIOG-UHFFFAOYSA-N -1 1 379.482 2.257 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)N(C)C)cc1OC ZINC000818583041 597116909 /nfs/dbraw/zinc/11/69/09/597116909.db2.gz OJRLQVAZHRYTCF-HOCLYGCPSA-N -1 1 393.484 2.203 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCC(=O)[O-])c1 ZINC000485554888 597277005 /nfs/dbraw/zinc/27/70/05/597277005.db2.gz YXSLYICLDNRJPP-UHFFFAOYSA-N -1 1 392.433 2.091 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)n1cccn1 ZINC000819877201 607308805 /nfs/dbraw/zinc/30/88/05/607308805.db2.gz RAHADHIAEOJITR-LBPRGKRZSA-N -1 1 378.396 2.468 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)n1cccn1 ZINC000819877201 607308806 /nfs/dbraw/zinc/30/88/06/607308806.db2.gz RAHADHIAEOJITR-LBPRGKRZSA-N -1 1 378.396 2.468 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cc(NC(=O)NCC(=O)[O-])ccc1C ZINC000818635782 597490868 /nfs/dbraw/zinc/49/08/68/597490868.db2.gz LUDHSXJCZDSKRI-UHFFFAOYSA-N -1 1 393.421 2.011 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)[O-])cc1 ZINC000738107496 597494462 /nfs/dbraw/zinc/49/44/62/597494462.db2.gz DUOITHWYXVBVHK-LLVKDONJSA-N -1 1 379.390 2.126 20 0 GEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1N1CCCS1(=O)=O ZINC000822255106 607318897 /nfs/dbraw/zinc/31/88/97/607318897.db2.gz VSZNYLBKEIIQFI-UHFFFAOYSA-N -1 1 390.494 2.389 20 0 GEADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1OC(C)C ZINC000822208541 599285076 /nfs/dbraw/zinc/28/50/76/599285076.db2.gz XBCGXELQSRHLFY-UHFFFAOYSA-N -1 1 399.459 2.022 20 0 GEADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1OC(C)C ZINC000822208541 599285078 /nfs/dbraw/zinc/28/50/78/599285078.db2.gz XBCGXELQSRHLFY-UHFFFAOYSA-N -1 1 399.459 2.022 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N(C)Cc2cccc(N(C)C)c2)cc1-c1nn[n-]n1 ZINC000821970160 607325491 /nfs/dbraw/zinc/32/54/91/607325491.db2.gz JNXYVWDXLZVYHL-UHFFFAOYSA-N -1 1 399.480 2.027 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000819940360 607326790 /nfs/dbraw/zinc/32/67/90/607326790.db2.gz YNELBFMMBXSIIF-MRVPVSSYSA-N -1 1 385.881 2.470 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000819940360 607326791 /nfs/dbraw/zinc/32/67/91/607326791.db2.gz YNELBFMMBXSIIF-MRVPVSSYSA-N -1 1 385.881 2.470 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000737202252 598234961 /nfs/dbraw/zinc/23/49/61/598234961.db2.gz YTPCMUJYUMXAQS-UHFFFAOYSA-N -1 1 396.426 2.461 20 0 GEADMM O=S(=O)(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328549 598252799 /nfs/dbraw/zinc/25/27/99/598252799.db2.gz HIBLEZLOVYPCAL-INIZCTEOSA-N -1 1 388.428 2.221 20 0 GEADMM O=S(=O)(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328549 598252800 /nfs/dbraw/zinc/25/28/00/598252800.db2.gz HIBLEZLOVYPCAL-INIZCTEOSA-N -1 1 388.428 2.221 20 0 GEADMM CCc1ccc([C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000736686658 598260594 /nfs/dbraw/zinc/26/05/94/598260594.db2.gz QBLXAPCIBPDAKI-QGZVFWFLSA-N -1 1 386.481 2.500 20 0 GEADMM CCc1ccc([C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000736686658 598260595 /nfs/dbraw/zinc/26/05/95/598260595.db2.gz QBLXAPCIBPDAKI-QGZVFWFLSA-N -1 1 386.481 2.500 20 0 GEADMM CCCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736489781 598269973 /nfs/dbraw/zinc/26/99/73/598269973.db2.gz AUKFHFJFJJBTNU-LBPRGKRZSA-N -1 1 388.453 2.090 20 0 GEADMM CCCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736489781 598269974 /nfs/dbraw/zinc/26/99/74/598269974.db2.gz AUKFHFJFJJBTNU-LBPRGKRZSA-N -1 1 388.453 2.090 20 0 GEADMM CCOc1ccccc1[C@H](CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736654992 598272083 /nfs/dbraw/zinc/27/20/83/598272083.db2.gz ZPWMQZYVLGZEQZ-AWEZNQCLSA-N -1 1 388.453 2.090 20 0 GEADMM CCOc1ccccc1[C@H](CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736654992 598272084 /nfs/dbraw/zinc/27/20/84/598272084.db2.gz ZPWMQZYVLGZEQZ-AWEZNQCLSA-N -1 1 388.453 2.090 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cc(C)cc(C)c2N)c(-c2nn[n-]n2)c1C ZINC000737246930 598302270 /nfs/dbraw/zinc/30/22/70/598302270.db2.gz QESIIPKAXJCJDO-UHFFFAOYSA-N -1 1 384.396 2.071 20 0 GEADMM c1cc2c(s1)CCN(c1ccc(Nc3nccnc3-c3nnn[n-]3)cn1)C2 ZINC000738446391 598342038 /nfs/dbraw/zinc/34/20/38/598342038.db2.gz XFTADROULLCKAW-UHFFFAOYSA-N -1 1 377.437 2.420 20 0 GEADMM c1cc2c(s1)CCN(c1ccc(Nc3nccnc3-c3nn[n-]n3)cn1)C2 ZINC000738446391 598342040 /nfs/dbraw/zinc/34/20/40/598342040.db2.gz XFTADROULLCKAW-UHFFFAOYSA-N -1 1 377.437 2.420 20 0 GEADMM CC(C)(C)OC(=O)NCCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735639985 598350873 /nfs/dbraw/zinc/35/08/73/598350873.db2.gz SWXIPMFKBNILNL-UHFFFAOYSA-N -1 1 396.455 2.336 20 0 GEADMM CC(C)(C)OC(=O)NCCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735639985 598350875 /nfs/dbraw/zinc/35/08/75/598350875.db2.gz SWXIPMFKBNILNL-UHFFFAOYSA-N -1 1 396.455 2.336 20 0 GEADMM Fc1cccc(-c2noc([C@@H]3CCCN(c4nccnc4-c4nnn[n-]4)C3)n2)c1 ZINC000737668454 598352103 /nfs/dbraw/zinc/35/21/03/598352103.db2.gz VJAZYTLUPQAVSP-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1cccc(-c2noc([C@@H]3CCCN(c4nccnc4-c4nn[n-]n4)C3)n2)c1 ZINC000737668454 598352104 /nfs/dbraw/zinc/35/21/04/598352104.db2.gz VJAZYTLUPQAVSP-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM O=C(CSCc1coc(-c2ccccc2)n1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737936200 598380544 /nfs/dbraw/zinc/38/05/44/598380544.db2.gz MMLHBEOGARLZPT-UHFFFAOYSA-N -1 1 393.432 2.211 20 0 GEADMM CC(C)N(CC(N)=O)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735859536 598399696 /nfs/dbraw/zinc/39/96/96/598399696.db2.gz VSQKCHKFDZHLCM-UHFFFAOYSA-N -1 1 398.398 2.134 20 0 GEADMM CC(C)N(CC(N)=O)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735859536 598399698 /nfs/dbraw/zinc/39/96/98/598399698.db2.gz VSQKCHKFDZHLCM-UHFFFAOYSA-N -1 1 398.398 2.134 20 0 GEADMM Cc1nnc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)o1 ZINC000737523987 598400638 /nfs/dbraw/zinc/40/06/38/598400638.db2.gz YWPOIJLWCQHGTH-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM Cc1nnc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)o1 ZINC000737523987 598400639 /nfs/dbraw/zinc/40/06/39/598400639.db2.gz YWPOIJLWCQHGTH-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM O=C(NCc1cc[nH]n1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738100703 598400815 /nfs/dbraw/zinc/40/08/15/598400815.db2.gz DUBJVHNIAOXMPV-UHFFFAOYSA-N -1 1 379.355 2.451 20 0 GEADMM O=C(NCc1cc[nH]n1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738100703 598400816 /nfs/dbraw/zinc/40/08/16/598400816.db2.gz DUBJVHNIAOXMPV-UHFFFAOYSA-N -1 1 379.355 2.451 20 0 GEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000737022263 598449983 /nfs/dbraw/zinc/44/99/83/598449983.db2.gz OWIMNSDITTUDDL-UHFFFAOYSA-N -1 1 379.829 2.467 20 0 GEADMM Clc1nsc(N2CCCN(Cc3cscn3)CC2)c1-c1nnn[n-]1 ZINC000737582831 598459150 /nfs/dbraw/zinc/45/91/50/598459150.db2.gz FZPRSCRSZWMXLY-UHFFFAOYSA-N -1 1 382.906 2.145 20 0 GEADMM Clc1nsc(N2CCCN(Cc3cscn3)CC2)c1-c1nn[n-]n1 ZINC000737582831 598459152 /nfs/dbraw/zinc/45/91/52/598459152.db2.gz FZPRSCRSZWMXLY-UHFFFAOYSA-N -1 1 382.906 2.145 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738355372 598465200 /nfs/dbraw/zinc/46/52/00/598465200.db2.gz PSVVGWPDBMEYFI-HNNXBMFYSA-N -1 1 384.465 2.220 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000738355372 598465201 /nfs/dbraw/zinc/46/52/01/598465201.db2.gz PSVVGWPDBMEYFI-HNNXBMFYSA-N -1 1 384.465 2.220 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000737548761 598501621 /nfs/dbraw/zinc/50/16/21/598501621.db2.gz RCESHYCCAVBUIA-ZDUSSCGKSA-N -1 1 392.423 2.302 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCc1ccccc1F ZINC000737198724 598516515 /nfs/dbraw/zinc/51/65/15/598516515.db2.gz CMRINEAYTOKSQK-UHFFFAOYSA-N -1 1 385.399 2.442 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCc2cc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC000821976811 607360017 /nfs/dbraw/zinc/36/00/17/607360017.db2.gz DJXOZHGTMMSPRY-UHFFFAOYSA-N -1 1 395.448 2.143 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820390583 607360471 /nfs/dbraw/zinc/36/04/71/607360471.db2.gz IUBYCOIFYBYYJL-RMLUDKJBSA-N -1 1 393.234 2.420 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820390583 607360473 /nfs/dbraw/zinc/36/04/73/607360473.db2.gz IUBYCOIFYBYYJL-RMLUDKJBSA-N -1 1 393.234 2.420 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C1CCC1 ZINC000737488835 598597985 /nfs/dbraw/zinc/59/79/85/598597985.db2.gz YCMWIBIEEUADDP-KRWDZBQOSA-N -1 1 394.483 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C1CCC1 ZINC000737488835 598597987 /nfs/dbraw/zinc/59/79/87/598597987.db2.gz YCMWIBIEEUADDP-KRWDZBQOSA-N -1 1 394.483 2.250 20 0 GEADMM CCc1nn(Cc2nc3c(cccc3F)n2CC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706371 598643433 /nfs/dbraw/zinc/64/34/33/598643433.db2.gz KFKWRGBYTLHGFG-UHFFFAOYSA-N -1 1 396.430 2.105 20 0 GEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCCCS(C)(=O)=O)n1 ZINC000737244381 598644166 /nfs/dbraw/zinc/64/41/66/598644166.db2.gz GFZYKGQDBLMIIG-UHFFFAOYSA-N -1 1 381.405 2.116 20 0 GEADMM CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736827785 598686941 /nfs/dbraw/zinc/68/69/41/598686941.db2.gz HOLVEQMZNABXQW-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM O=Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738313264 598687775 /nfs/dbraw/zinc/68/77/75/598687775.db2.gz FWPXGXWWKRIUQM-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM CN(CCCc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736797858 598690212 /nfs/dbraw/zinc/69/02/12/598690212.db2.gz NJPOHJZHPBHCBM-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM CN(C1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736779804 598690445 /nfs/dbraw/zinc/69/04/45/598690445.db2.gz PXGTZMBAGFKHLR-UHFFFAOYSA-N -1 1 391.472 2.451 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](c2ccco2)C1 ZINC000737201096 598694991 /nfs/dbraw/zinc/69/49/91/598694991.db2.gz QHJAGTQMFOYPLH-ZDUSSCGKSA-N -1 1 382.424 2.126 20 0 GEADMM Clc1nsc(NCc2ccccc2N2CCOCC2)c1-c1nnn[n-]1 ZINC000737583492 598723354 /nfs/dbraw/zinc/72/33/54/598723354.db2.gz LJLIFQDXLUNQAY-UHFFFAOYSA-N -1 1 377.861 2.425 20 0 GEADMM Clc1nsc(NCc2ccccc2N2CCOCC2)c1-c1nn[n-]n1 ZINC000737583492 598723355 /nfs/dbraw/zinc/72/33/55/598723355.db2.gz LJLIFQDXLUNQAY-UHFFFAOYSA-N -1 1 377.861 2.425 20 0 GEADMM CC(C)(C)/C=C/C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735593875 598727223 /nfs/dbraw/zinc/72/72/23/598727223.db2.gz NDSKFXAVZCMCKQ-MDZDMXLPSA-N -1 1 395.423 2.136 20 0 GEADMM CC(C)(C)/C=C/C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735593875 598727224 /nfs/dbraw/zinc/72/72/24/598727224.db2.gz NDSKFXAVZCMCKQ-MDZDMXLPSA-N -1 1 395.423 2.136 20 0 GEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1c1ccccc1F ZINC000738296655 598775708 /nfs/dbraw/zinc/77/57/08/598775708.db2.gz MKNUVCDPMQGPIP-MRVPVSSYSA-N -1 1 379.808 2.333 20 0 GEADMM O=C1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1c1ccccc1F ZINC000738296655 598775710 /nfs/dbraw/zinc/77/57/10/598775710.db2.gz MKNUVCDPMQGPIP-MRVPVSSYSA-N -1 1 379.808 2.333 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC/C=C\c1ccccc1 ZINC000737202221 598792255 /nfs/dbraw/zinc/79/22/55/598792255.db2.gz XJYDRCMRCCWGHT-TWGQIWQCSA-N -1 1 378.436 2.346 20 0 GEADMM CCc1ccc(N)c(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000736693198 598800196 /nfs/dbraw/zinc/80/01/96/598800196.db2.gz YYKALKKOYHIVQN-UHFFFAOYSA-N -1 1 384.396 2.017 20 0 GEADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822238859 599304867 /nfs/dbraw/zinc/30/48/67/599304867.db2.gz XTBRXHRUXQEIQJ-UHFFFAOYSA-N -1 1 379.829 2.122 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1c1ccncc1 ZINC000823601053 599337177 /nfs/dbraw/zinc/33/71/77/599337177.db2.gz PAWPAIKCJWLEAY-AWEZNQCLSA-N -1 1 390.856 2.441 20 0 GEADMM Cc1nn(Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500744 607370077 /nfs/dbraw/zinc/37/00/77/607370077.db2.gz DYRSVIKSRADQDT-UHFFFAOYSA-N -1 1 382.424 2.044 20 0 GEADMM Cc1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822279884 599352686 /nfs/dbraw/zinc/35/26/86/599352686.db2.gz FCGWYRYLUIHJMK-UHFFFAOYSA-N -1 1 391.840 2.416 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1c1ccccc1 ZINC000820768065 599358127 /nfs/dbraw/zinc/35/81/27/599358127.db2.gz LLWJANPFBMZCNE-XJKSGUPXSA-N -1 1 384.465 2.076 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1c1ccccc1 ZINC000820768065 599358129 /nfs/dbraw/zinc/35/81/29/599358129.db2.gz LLWJANPFBMZCNE-XJKSGUPXSA-N -1 1 384.465 2.076 20 0 GEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820666495 599362210 /nfs/dbraw/zinc/36/22/10/599362210.db2.gz IFQUBIUFDLPQQS-BZNIZROVSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820666495 599362213 /nfs/dbraw/zinc/36/22/13/599362213.db2.gz IFQUBIUFDLPQQS-BZNIZROVSA-N -1 1 388.428 2.173 20 0 GEADMM CSCC[C@H](C)N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737177969 599383471 /nfs/dbraw/zinc/38/34/71/599383471.db2.gz WRIBYEJNAAYQNS-JTQLQIEISA-N -1 1 378.502 2.117 20 0 GEADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738163925 599412461 /nfs/dbraw/zinc/41/24/61/599412461.db2.gz RQVWRQMIYUMOMD-UHFFFAOYSA-N -1 1 384.831 2.165 20 0 GEADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738163925 599412466 /nfs/dbraw/zinc/41/24/66/599412466.db2.gz RQVWRQMIYUMOMD-UHFFFAOYSA-N -1 1 384.831 2.165 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000821970825 599415786 /nfs/dbraw/zinc/41/57/86/599415786.db2.gz SWTPQAHMVQVSHC-CYBMUJFWSA-N -1 1 396.476 2.394 20 0 GEADMM Clc1cccc([C@@H](CNc2cccc(-c3nnn[n-]3)n2)N2CCOCC2)c1 ZINC000737573200 599427667 /nfs/dbraw/zinc/42/76/67/599427667.db2.gz AVTUMTICKIOOBZ-MRXNPFEDSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1cccc([C@@H](CNc2cccc(-c3nn[n-]n3)n2)N2CCOCC2)c1 ZINC000737573200 599427669 /nfs/dbraw/zinc/42/76/69/599427669.db2.gz AVTUMTICKIOOBZ-MRXNPFEDSA-N -1 1 385.859 2.401 20 0 GEADMM c1nc(CN2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cs1 ZINC000823798730 599491682 /nfs/dbraw/zinc/49/16/82/599491682.db2.gz XLFCZYHHZGECKK-UHFFFAOYSA-N -1 1 378.465 2.194 20 0 GEADMM Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000820637136 599491928 /nfs/dbraw/zinc/49/19/28/599491928.db2.gz XBXZDQXOLNSKQV-HNNXBMFYSA-N -1 1 395.448 2.200 20 0 GEADMM Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000820637136 599491929 /nfs/dbraw/zinc/49/19/29/599491929.db2.gz XBXZDQXOLNSKQV-HNNXBMFYSA-N -1 1 395.448 2.200 20 0 GEADMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C1CC1 ZINC000821033726 599492092 /nfs/dbraw/zinc/49/20/92/599492092.db2.gz DYIPBXJQKBMBKD-OAHLLOKOSA-N -1 1 386.412 2.306 20 0 GEADMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C1CC1 ZINC000821033726 599492093 /nfs/dbraw/zinc/49/20/93/599492093.db2.gz DYIPBXJQKBMBKD-OAHLLOKOSA-N -1 1 386.412 2.306 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCC(C(F)(F)F)CC2)cc1-c1nn[n-]n1 ZINC000821970518 599494935 /nfs/dbraw/zinc/49/49/35/599494935.db2.gz PAUJBMGXQINBAA-UHFFFAOYSA-N -1 1 388.375 2.104 20 0 GEADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cccs1 ZINC000735525104 599563697 /nfs/dbraw/zinc/56/36/97/599563697.db2.gz JJZLSTXGYMLZFY-NSHDSACASA-N -1 1 399.480 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCN(C)CC(F)(F)F ZINC000822542405 599625061 /nfs/dbraw/zinc/62/50/61/599625061.db2.gz XSPUCRBOVLHWRJ-UHFFFAOYSA-N -1 1 398.345 2.210 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCN(C)CC(F)(F)F ZINC000822542405 599625062 /nfs/dbraw/zinc/62/50/62/599625062.db2.gz XSPUCRBOVLHWRJ-UHFFFAOYSA-N -1 1 398.345 2.210 20 0 GEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)c1 ZINC000819835316 599653924 /nfs/dbraw/zinc/65/39/24/599653924.db2.gz VUHFXMFDGSEKBF-ZDUSSCGKSA-N -1 1 396.403 2.328 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737360234 599721382 /nfs/dbraw/zinc/72/13/82/599721382.db2.gz HAIZMDYOPFFZBJ-INIZCTEOSA-N -1 1 388.399 2.273 20 0 GEADMM CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1 ZINC000737358447 599722075 /nfs/dbraw/zinc/72/20/75/599722075.db2.gz MMXIYBCHLAOBMI-OAHLLOKOSA-N -1 1 396.896 2.489 20 0 GEADMM O=C([O-])NCCCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000739961739 599723259 /nfs/dbraw/zinc/72/32/59/599723259.db2.gz SSYANCGCRJVIBA-UHFFFAOYSA-N -1 1 376.457 2.487 20 0 GEADMM CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000736260262 599725313 /nfs/dbraw/zinc/72/53/13/599725313.db2.gz FZONJRXQYVSINS-UHFFFAOYSA-N -1 1 380.420 2.187 20 0 GEADMM COc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000485846510 599759067 /nfs/dbraw/zinc/75/90/67/599759067.db2.gz IOKJNBQBUVKZMB-LBPRGKRZSA-N -1 1 392.433 2.007 20 0 GEADMM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738669166 599764910 /nfs/dbraw/zinc/76/49/10/599764910.db2.gz BCYMGUAWROGCKG-HIFRSBDPSA-N -1 1 376.434 2.283 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2[nH]c1=S ZINC000739015439 599769424 /nfs/dbraw/zinc/76/94/24/599769424.db2.gz ZNKIISOWYDNRQQ-UHFFFAOYSA-N -1 1 383.429 2.492 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC000737526465 599780536 /nfs/dbraw/zinc/78/05/36/599780536.db2.gz PVJGNUOMVLFVIH-LJQANCHMSA-N -1 1 382.464 2.495 20 0 GEADMM C[C@@H](NC(=O)NCCCCC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000635507037 599792071 /nfs/dbraw/zinc/79/20/71/599792071.db2.gz IBLXMMSCSNCQOJ-CQSZACIVSA-N -1 1 380.464 2.193 20 0 GEADMM O=C([O-])c1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1F ZINC000327419585 599801258 /nfs/dbraw/zinc/80/12/58/599801258.db2.gz ZGYGLPBUOUJHOS-UHFFFAOYSA-N -1 1 384.772 2.473 20 0 GEADMM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])cc1 ZINC000737203778 599813174 /nfs/dbraw/zinc/81/31/74/599813174.db2.gz QJYZGXWNYPPISZ-UHFFFAOYSA-N -1 1 385.419 2.432 20 0 GEADMM Cn1c(=O)oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc21 ZINC000726521493 599815147 /nfs/dbraw/zinc/81/51/47/599815147.db2.gz ZODZYFXEQSAHEK-UHFFFAOYSA-N -1 1 382.781 2.284 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000736203558 599866878 /nfs/dbraw/zinc/86/68/78/599866878.db2.gz DLKYUPZUCCGXMC-KUHUBIRLSA-N -1 1 392.471 2.283 20 0 GEADMM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000590435750 599928671 /nfs/dbraw/zinc/92/86/71/599928671.db2.gz LZEQFPZTCVZBPH-ZDUSSCGKSA-N -1 1 386.427 2.162 20 0 GEADMM C[C@@H](C(=O)NC1CC1)N1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736210520 599937167 /nfs/dbraw/zinc/93/71/67/599937167.db2.gz GHFVSZTVDZVEPH-ZDUSSCGKSA-N -1 1 387.505 2.384 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736652998 599954621 /nfs/dbraw/zinc/95/46/21/599954621.db2.gz SHLRYICMHNCCBO-LLVKDONJSA-N -1 1 381.392 2.434 20 0 GEADMM CN(C)[C@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000737359126 599955923 /nfs/dbraw/zinc/95/59/23/599955923.db2.gz SOPNXWRCMOHODE-OAHLLOKOSA-N -1 1 377.466 2.427 20 0 GEADMM O=C([O-])C1CCC(NC(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000739416988 600016280 /nfs/dbraw/zinc/01/62/80/600016280.db2.gz QLAROYFXOAMXMG-UHFFFAOYSA-N -1 1 388.512 2.141 20 0 GEADMM O=C([O-])[C@H]1CN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000738546597 600032671 /nfs/dbraw/zinc/03/26/71/600032671.db2.gz JPCFKXOKMCBLTK-QGZVFWFLSA-N -1 1 395.887 2.047 20 0 GEADMM CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000737143488 600051760 /nfs/dbraw/zinc/05/17/60/600051760.db2.gz XEVXDQLKUQQUMY-UHFFFAOYSA-N -1 1 384.435 2.056 20 0 GEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)CCn1c(=O)c3ccccc3[nH]c1=S)C2 ZINC000740189532 600071505 /nfs/dbraw/zinc/07/15/05/600071505.db2.gz PWBVDPMXRPLBHO-UHFFFAOYSA-N -1 1 395.440 2.316 20 0 GEADMM O=C(COC(=O)c1[nH]nc2c1CCCC2)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000738471910 600087829 /nfs/dbraw/zinc/08/78/29/600087829.db2.gz OFKNZSDFQIBNGV-UHFFFAOYSA-N -1 1 389.433 2.332 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1C(=O)[O-] ZINC000738744655 600103589 /nfs/dbraw/zinc/10/35/89/600103589.db2.gz MQSDFRKYSNNTMN-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738235124 600103794 /nfs/dbraw/zinc/10/37/94/600103794.db2.gz OSXLBHDUKRFDBP-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000738532375 600120171 /nfs/dbraw/zinc/12/01/71/600120171.db2.gz LGVBABLOFBKTKK-FQEVSTJZSA-N -1 1 397.475 2.295 20 0 GEADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)cc2C[C@@H]1C ZINC000436826073 600177237 /nfs/dbraw/zinc/17/72/37/600177237.db2.gz NKTLFVYYMFNJCU-JTQLQIEISA-N -1 1 390.417 2.189 20 0 GEADMM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000523792362 600203916 /nfs/dbraw/zinc/20/39/16/600203916.db2.gz TYWYGGRMTDGTLK-UHFFFAOYSA-N -1 1 399.428 2.240 20 0 GEADMM CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc21 ZINC000736140112 600230453 /nfs/dbraw/zinc/23/04/53/600230453.db2.gz YOAGXIUDUPXKDQ-UHFFFAOYSA-N -1 1 396.371 2.373 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)c(F)cc1F ZINC000740090123 600233172 /nfs/dbraw/zinc/23/31/72/600233172.db2.gz SPSDFGXYBZWYCM-UHFFFAOYSA-N -1 1 394.359 2.104 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(F)cc1F ZINC000740305485 600233221 /nfs/dbraw/zinc/23/32/21/600233221.db2.gz IWHBYJBDAQPPEE-UHFFFAOYSA-N -1 1 382.344 2.349 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826340852 607432671 /nfs/dbraw/zinc/43/26/71/607432671.db2.gz NBNPEVIPSDPLCB-GJZGRUSLSA-N -1 1 396.451 2.448 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826340852 607432673 /nfs/dbraw/zinc/43/26/73/607432673.db2.gz NBNPEVIPSDPLCB-GJZGRUSLSA-N -1 1 396.451 2.448 20 0 GEADMM C[S@@](=O)Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738180901 600303123 /nfs/dbraw/zinc/30/31/23/600303123.db2.gz ZUDKWCDSJQTTNA-JOCHJYFZSA-N -1 1 377.827 2.311 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723467 600312873 /nfs/dbraw/zinc/31/28/73/600312873.db2.gz GHQAXRDAPBKGSK-BBRMVZONSA-N -1 1 399.422 2.414 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000737360776 600313152 /nfs/dbraw/zinc/31/31/52/600313152.db2.gz JBOPZDIFZMFJLE-MRXNPFEDSA-N -1 1 391.374 2.021 20 0 GEADMM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN[C@@](C)(CO)c1ccccc1 ZINC000737505506 600313352 /nfs/dbraw/zinc/31/33/52/600313352.db2.gz LTRSPYPIBMHVHR-UGKGYDQZSA-N -1 1 395.459 2.219 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCN1CCOC ZINC000736941542 600344804 /nfs/dbraw/zinc/34/48/04/600344804.db2.gz YIUISISYTHSLEF-KRWDZBQOSA-N -1 1 378.473 2.371 20 0 GEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1nnc2ccccc2c1O ZINC000736823372 600360756 /nfs/dbraw/zinc/36/07/56/600360756.db2.gz KZYHAIVBGYUIOP-ZDUSSCGKSA-N -1 1 392.415 2.385 20 0 GEADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000736466275 600394283 /nfs/dbraw/zinc/39/42/83/600394283.db2.gz UOLYMBDDYJCJFB-UHFFFAOYSA-N -1 1 375.469 2.483 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000736204136 600430083 /nfs/dbraw/zinc/43/00/83/600430083.db2.gz GOLXXQYPPACSCT-CQSZACIVSA-N -1 1 382.464 2.364 20 0 GEADMM O=C([O-])Nc1ccc(CNC(=O)CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000740024239 600443292 /nfs/dbraw/zinc/44/32/92/600443292.db2.gz BLTOGEYPVIYQMT-LJQANCHMSA-N -1 1 383.448 2.375 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)C[C@@H]2CCCO2)c(OCC(F)(F)F)c1 ZINC000740154442 600482668 /nfs/dbraw/zinc/48/26/68/600482668.db2.gz BDNDWHWDQYPVFG-JTQLQIEISA-N -1 1 383.344 2.247 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000738093732 600486406 /nfs/dbraw/zinc/48/64/06/600486406.db2.gz YLLGAUXGFYJVRU-SJLPKXTDSA-N -1 1 375.469 2.338 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000738520099 600550211 /nfs/dbraw/zinc/55/02/11/600550211.db2.gz USNRWOGQQSRGNT-SFHVURJKSA-N -1 1 395.459 2.413 20 0 GEADMM CC[C@@](C)(NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000736863208 600563595 /nfs/dbraw/zinc/56/35/95/600563595.db2.gz JNHYRDZPIWFDLC-CYBMUJFWSA-N -1 1 376.194 2.073 20 0 GEADMM CN(C)Cc1cc(CNC(=O)Nc2nnc(CCCC(=O)[O-])s2)ccc1F ZINC000737367947 600632621 /nfs/dbraw/zinc/63/26/21/600632621.db2.gz GLWUVIJDSKGNMG-UHFFFAOYSA-N -1 1 395.460 2.468 20 0 GEADMM CN(C)Cc1cc(CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)ccc1F ZINC000737368803 600648043 /nfs/dbraw/zinc/64/80/43/600648043.db2.gz VCZNEXBLEFQFOQ-UHFFFAOYSA-N -1 1 389.427 2.464 20 0 GEADMM Cn1ccnc1Sc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 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CN1CCC(N(c2cccc(F)c2)S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737514579 600796211 /nfs/dbraw/zinc/79/62/11/600796211.db2.gz LDGUFDOQYPDMRN-UHFFFAOYSA-N -1 1 382.413 2.406 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1C(=O)[O-] ZINC000299311315 600812832 /nfs/dbraw/zinc/81/28/32/600812832.db2.gz WRYQVMYARCBBLT-OAHLLOKOSA-N -1 1 390.421 2.252 20 0 GEADMM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000109068327 600813120 /nfs/dbraw/zinc/81/31/20/600813120.db2.gz KHRWZHQVTAACSB-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCC(=O)N1CCC[C@@H]1C)CC2 ZINC000832103452 600817160 /nfs/dbraw/zinc/81/71/60/600817160.db2.gz QRBXQLIDLDSNRH-WMLDXEAASA-N -1 1 390.480 2.479 20 0 GEADMM Cn1cnc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Br)c1Cl ZINC000833057523 600831817 /nfs/dbraw/zinc/83/18/17/600831817.db2.gz BBUOKXMITSKDMN-UHFFFAOYSA-N -1 1 394.634 2.335 20 0 GEADMM O=C([O-])[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)c2ccccc2O1 ZINC000833192703 600881850 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397.516 2.077 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000630226389 601104448 /nfs/dbraw/zinc/10/44/48/601104448.db2.gz XQBRVSKNPDSWFD-LBPRGKRZSA-N -1 1 382.844 2.122 20 0 GEADMM O=C([O-])c1ccsc1N1CC[C@H](OC(=O)Cc2[nH]nc3ccccc32)C1=O ZINC000833119487 601118385 /nfs/dbraw/zinc/11/83/85/601118385.db2.gz NIRPWJHOXULBNK-AWEZNQCLSA-N -1 1 385.401 2.214 20 0 GEADMM O=C(CCC1CCCCC1)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826405762 607489518 /nfs/dbraw/zinc/48/95/18/607489518.db2.gz SQAUEXLZGSPUKB-UHFFFAOYSA-N -1 1 383.500 2.266 20 0 GEADMM COc1cc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(OC)cc1Cl ZINC000832022329 601126588 /nfs/dbraw/zinc/12/65/88/601126588.db2.gz RVBFSSOZSOJINK-NSHDSACASA-N -1 1 385.848 2.370 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CC1 ZINC000827368779 601128878 /nfs/dbraw/zinc/12/88/78/601128878.db2.gz JZQVEKWLSANDRN-CQSZACIVSA-N -1 1 390.484 2.228 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 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JQPVGHQXBUNABG-HNNXBMFYSA-N -1 1 379.298 2.251 20 0 GEADMM O=C([O-])COc1cccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1 ZINC000659761259 601278201 /nfs/dbraw/zinc/27/82/01/601278201.db2.gz YXJANDWQAXTSLU-UHFFFAOYSA-N -1 1 390.480 2.163 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)n[nH]2)cc1OC ZINC000832112747 601287629 /nfs/dbraw/zinc/28/76/29/601287629.db2.gz YGQHZKNUKUMDER-CYBMUJFWSA-N -1 1 385.420 2.421 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000827356773 601291359 /nfs/dbraw/zinc/29/13/59/601291359.db2.gz TXOXYWJAYJAUAQ-APWZRJJASA-N -1 1 391.487 2.188 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1 ZINC000827375078 601294018 /nfs/dbraw/zinc/29/40/18/601294018.db2.gz PHFBZCIVXFQGES-LBPRGKRZSA-N -1 1 375.454 2.218 20 0 GEADMM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000013359396 601317579 /nfs/dbraw/zinc/31/75/79/601317579.db2.gz HBYKLHZXDGZMSY-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000831440084 601326604 /nfs/dbraw/zinc/32/66/04/601326604.db2.gz NIYMFWNHDYOJTI-UHFFFAOYSA-N -1 1 394.405 2.397 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000831439927 601332786 /nfs/dbraw/zinc/33/27/86/601332786.db2.gz GNQGPVJCWXIJKM-UHFFFAOYSA-N -1 1 394.405 2.050 20 0 GEADMM CCc1nnnn1-c1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830338800 601332889 /nfs/dbraw/zinc/33/28/89/601332889.db2.gz AXNBQYUOEMFFRK-FMIVXFBMSA-N -1 1 399.432 2.123 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C(=O)[O-])C3)c2C1 ZINC000632984754 601342374 /nfs/dbraw/zinc/34/23/74/601342374.db2.gz IVSPGLYAOCGVQO-ZBFHGGJFSA-N -1 1 387.480 2.308 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)ccc1F ZINC000738678883 601359939 /nfs/dbraw/zinc/35/99/39/601359939.db2.gz PPBLXXZJFFMYMS-UHFFFAOYSA-N -1 1 379.369 2.068 20 0 GEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000826005029 601386555 /nfs/dbraw/zinc/38/65/55/601386555.db2.gz RCEQDNOLAQNUMG-XJKSGUPXSA-N -1 1 376.453 2.053 20 0 GEADMM COCCC1(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000821686296 607506461 /nfs/dbraw/zinc/50/64/61/607506461.db2.gz JBXZFTSRGJGRGD-UHFFFAOYSA-N -1 1 382.424 2.221 20 0 GEADMM CO[C@@H](C)c1noc(CN2CCCN([C@H](C(=O)[O-])c3ccccc3F)CC2)n1 ZINC000831505545 601425211 /nfs/dbraw/zinc/42/52/11/601425211.db2.gz QXHLNGVNHMWOIB-GUYCJALGSA-N -1 1 392.431 2.250 20 0 GEADMM CCOC(=O)C1CCN(C(=O)CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CC1 ZINC000829837789 601434617 /nfs/dbraw/zinc/43/46/17/601434617.db2.gz MUPYGCLDYQMOKO-QZTJIDSGSA-N -1 1 394.512 2.144 20 0 GEADMM CCOc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)[O-] ZINC000485734892 601441628 /nfs/dbraw/zinc/44/16/28/601441628.db2.gz WIFJXMRVEDNRGA-UHFFFAOYSA-N -1 1 387.367 2.494 20 0 GEADMM COC(=O)NCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000831206239 601484202 /nfs/dbraw/zinc/48/42/02/601484202.db2.gz CTALSFDWPRBQHW-UHFFFAOYSA-N -1 1 399.812 2.090 20 0 GEADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1F ZINC000832034079 601489798 /nfs/dbraw/zinc/48/97/98/601489798.db2.gz PEZFXEUIOCFTDK-UHFFFAOYSA-N -1 1 399.396 2.497 20 0 GEADMM C[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000827644730 601493126 /nfs/dbraw/zinc/49/31/26/601493126.db2.gz GJEQBYBRXVMHTF-JKIFEVAISA-N -1 1 392.475 2.001 20 0 GEADMM Cc1cc(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)cc(C)c1OCC(=O)[O-] ZINC000832867822 601500976 /nfs/dbraw/zinc/50/09/76/601500976.db2.gz JJUVYZMMVHOBNE-KRWDZBQOSA-N -1 1 379.453 2.280 20 0 GEADMM CN1CCC[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000830928094 601517485 /nfs/dbraw/zinc/51/74/85/601517485.db2.gz HDPADZKGSVWXBJ-BBRMVZONSA-N -1 1 386.539 2.305 20 0 GEADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829873043 601525984 /nfs/dbraw/zinc/52/59/84/601525984.db2.gz JFMDYBNQTMKWLM-SUNKGSAMSA-N -1 1 382.482 2.467 20 0 GEADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000567409142 601541448 /nfs/dbraw/zinc/54/14/48/601541448.db2.gz RTSPABPZRKRWFG-GDBMZVCRSA-N -1 1 391.493 2.364 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CN1C1CC1 ZINC000828167870 601569377 /nfs/dbraw/zinc/56/93/77/601569377.db2.gz LGJYFPBSEBILHR-WDEREUQCSA-N -1 1 393.509 2.424 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CN1C1CC1 ZINC000828167588 601569398 /nfs/dbraw/zinc/56/93/98/601569398.db2.gz JIJGRRHKIATEHA-QWRGUYRKSA-N -1 1 391.493 2.005 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CN1C1CC1 ZINC000828167867 601569535 /nfs/dbraw/zinc/56/95/35/601569535.db2.gz LGJYFPBSEBILHR-GHMZBOCLSA-N -1 1 393.509 2.424 20 0 GEADMM O=C([O-])[C@H]1CCCCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000262254565 601578691 /nfs/dbraw/zinc/57/86/91/601578691.db2.gz DZQQGMDXMYZFNZ-QGZVFWFLSA-N -1 1 377.510 2.113 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCN(C)C)Cc2ccco2)c1C ZINC000185052047 601595824 /nfs/dbraw/zinc/59/58/24/601595824.db2.gz JJCMAAGIRLNGNP-UHFFFAOYSA-N -1 1 380.466 2.347 20 0 GEADMM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825348088 607516783 /nfs/dbraw/zinc/51/67/83/607516783.db2.gz BXWFWCMVHVEFOV-CQSZACIVSA-N -1 1 379.468 2.263 20 0 GEADMM Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc(C)c1OCC(=O)[O-] ZINC000832865272 601675845 /nfs/dbraw/zinc/67/58/45/601675845.db2.gz YNDQESYASIBGCS-UHFFFAOYSA-N -1 1 398.463 2.166 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000827354288 601678108 /nfs/dbraw/zinc/67/81/08/601678108.db2.gz DGSCRKBSOJHXRD-HNNXBMFYSA-N -1 1 397.516 2.079 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)c2)CC1 ZINC000830954794 601736918 /nfs/dbraw/zinc/73/69/18/601736918.db2.gz LHLUPVQQVRAGOB-IBGZPJMESA-N -1 1 385.439 2.129 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)CSCc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000826886185 601813701 /nfs/dbraw/zinc/81/37/01/601813701.db2.gz SZVLKANBCXRFTD-OAHLLOKOSA-N -1 1 398.500 2.230 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448814 601813805 /nfs/dbraw/zinc/81/38/05/601813805.db2.gz GYFKIHFXDPPIDC-QTPGKHNVSA-N -1 1 387.480 2.361 20 0 GEADMM C[C@H]1CN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451508 601815519 /nfs/dbraw/zinc/81/55/19/601815519.db2.gz UDBBSKLFNPTDPU-YJBOKZPZSA-N -1 1 393.443 2.092 20 0 GEADMM COC(=O)c1c(NC(=O)CN[C@H](C(=O)[O-])C(C)C)sc2c1CC[C@H](C)C2 ZINC000831230880 601824095 /nfs/dbraw/zinc/82/40/95/601824095.db2.gz PISNJGFHCZKRKE-BONVTDFDSA-N -1 1 382.482 2.297 20 0 GEADMM CC(C)[C@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000827092058 601824417 /nfs/dbraw/zinc/82/44/17/601824417.db2.gz NDUULMYLYVFQHP-KXBFYZLASA-N -1 1 376.453 2.210 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000833361037 601832951 /nfs/dbraw/zinc/83/29/51/601832951.db2.gz NQGMGHFYVKWTRK-UHFFFAOYSA-N -1 1 399.837 2.278 20 0 GEADMM COc1cc(OC)cc(N2CC[C@@H](N3CCC(CCC(=O)[O-])CC3)C2=O)c1 ZINC000662218702 601840335 /nfs/dbraw/zinc/84/03/35/601840335.db2.gz SCCWLDWSNVPDBE-GOSISDBHSA-N -1 1 376.453 2.386 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 ZINC000268305779 601853810 /nfs/dbraw/zinc/85/38/10/601853810.db2.gz IIZWXGVCYKNESQ-AWEZNQCLSA-N -1 1 377.418 2.282 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)ccc1F ZINC000759677144 601853984 /nfs/dbraw/zinc/85/39/84/601853984.db2.gz FBTKTOXSXRYZQS-LLVKDONJSA-N -1 1 381.381 2.492 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000828170207 601865579 /nfs/dbraw/zinc/86/55/79/601865579.db2.gz XSPOPVKAMOJYPE-CZUORRHYSA-N -1 1 399.422 2.242 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000828029080 601890533 /nfs/dbraw/zinc/89/05/33/601890533.db2.gz PIGOTEJDEHEMSB-IAGOWNOFSA-N -1 1 383.807 2.000 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)C1 ZINC000828028924 601890802 /nfs/dbraw/zinc/89/08/02/601890802.db2.gz IIPGEJFJEZMEFA-ZWVUXNTGSA-N -1 1 385.464 2.389 20 0 GEADMM COc1ccc(CNC(=O)CN2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000739909447 601929206 /nfs/dbraw/zinc/92/92/06/601929206.db2.gz SKBFHWZFNNSJAV-ZWKOTPCHSA-N -1 1 375.469 2.308 20 0 GEADMM COC(=O)c1cccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000739791232 601930868 /nfs/dbraw/zinc/93/08/68/601930868.db2.gz VXOZATUQRZTYHT-UHFFFAOYSA-N -1 1 375.425 2.019 20 0 GEADMM COC(=O)c1sccc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739794170 601931171 /nfs/dbraw/zinc/93/11/71/601931171.db2.gz VERDCHPPVCLYAX-UHFFFAOYSA-N -1 1 381.454 2.080 20 0 GEADMM C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263184653 601944421 /nfs/dbraw/zinc/94/44/21/601944421.db2.gz RYDMBHUBQGDFPU-QGHHPUGFSA-N -1 1 399.369 2.176 20 0 GEADMM O=C([O-])NC[C@H]1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000740641599 601946151 /nfs/dbraw/zinc/94/61/51/601946151.db2.gz JRCHGZWXKWPEBS-OAHLLOKOSA-N -1 1 382.464 2.373 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1-c1nn[nH]n1 ZINC000826304021 607536219 /nfs/dbraw/zinc/53/62/19/607536219.db2.gz RMTFWOGMJPFWCU-UHFFFAOYSA-N -1 1 398.404 2.155 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000828167019 601969040 /nfs/dbraw/zinc/96/90/40/601969040.db2.gz AJHMUIAKECTLHF-BBRMVZONSA-N -1 1 399.422 2.242 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CN1Cc1ccccc1 ZINC000828168867 601969198 /nfs/dbraw/zinc/96/91/98/601969198.db2.gz RGKJZSFSBDTXPB-MAUKXSAKSA-N -1 1 395.459 2.031 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167930 601969219 /nfs/dbraw/zinc/96/92/19/601969219.db2.gz LYPLRIOMONFOIB-KBXCAEBGSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398230728 601989084 /nfs/dbraw/zinc/98/90/84/601989084.db2.gz WOFJEEQTGHPZFJ-TZMCWYRMSA-N -1 1 380.491 2.388 20 0 GEADMM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCN(C)CC2)C1 ZINC000739735711 602007278 /nfs/dbraw/zinc/00/72/78/602007278.db2.gz DOWYZNKJUKPZPY-OAHLLOKOSA-N -1 1 375.473 2.045 20 0 GEADMM O=C([O-])N1CCC(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000740417924 602013030 /nfs/dbraw/zinc/01/30/30/602013030.db2.gz RQEBEQGKCWMYGQ-UHFFFAOYSA-N -1 1 392.475 2.479 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740116215 602021304 /nfs/dbraw/zinc/02/13/04/602021304.db2.gz ARRKKAIPTRGRFN-HZPDHXFCSA-N -1 1 378.473 2.414 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])cc2[nH]c1=S ZINC000833039787 602054877 /nfs/dbraw/zinc/05/48/77/602054877.db2.gz QTMJQHLKFWUYEQ-ZIAGYGMSSA-N -1 1 389.477 2.376 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)N2CCCC2)c1 ZINC000832532427 602055918 /nfs/dbraw/zinc/05/59/18/602055918.db2.gz AGLBPPTVFLWWPX-FXAWDEMLSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000738619915 602118640 /nfs/dbraw/zinc/11/86/40/602118640.db2.gz GBOWUVMEIRLOTN-LJQANCHMSA-N -1 1 395.459 2.033 20 0 GEADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3c(O)cccc3Cl)nc2)CC1 ZINC000740463354 602126523 /nfs/dbraw/zinc/12/65/23/602126523.db2.gz NNBWGPKMKOAKTI-UHFFFAOYSA-N -1 1 376.800 2.493 20 0 GEADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3ccc(O)c(Cl)c3)nc2)CC1 ZINC000740461775 602128401 /nfs/dbraw/zinc/12/84/01/602128401.db2.gz IAMLFFHQDYGJLS-UHFFFAOYSA-N -1 1 376.800 2.493 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cnc(Cl)cc2C)c1 ZINC000831368366 602159003 /nfs/dbraw/zinc/15/90/03/602159003.db2.gz BVNQAPYGRCNCJF-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM Cc1cc(N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832891080 602175950 /nfs/dbraw/zinc/17/59/50/602175950.db2.gz KCVZTGFQBVKFQF-CQSZACIVSA-N -1 1 392.481 2.456 20 0 GEADMM Cn1cc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000833050510 602364640 /nfs/dbraw/zinc/36/46/40/602364640.db2.gz HYYGVPJIGLLDHX-UHFFFAOYSA-N -1 1 385.468 2.057 20 0 GEADMM C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738619980 602382006 /nfs/dbraw/zinc/38/20/06/602382006.db2.gz PNCRLLXXAUTXCW-LBPRGKRZSA-N -1 1 380.420 2.184 20 0 GEADMM CN1CCN(Cc2ccc(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000739738845 602393904 /nfs/dbraw/zinc/39/39/04/602393904.db2.gz XFDSRGWETCYWLW-LJQANCHMSA-N -1 1 382.464 2.381 20 0 GEADMM CN(C[C@@H]1CCCN(CC(=O)NCCc2cccc3cccnc32)C1)C(=O)[O-] ZINC000739637734 602400088 /nfs/dbraw/zinc/40/00/88/602400088.db2.gz QYXDCIIOMXRHNS-INIZCTEOSA-N -1 1 384.480 2.215 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000833154040 602402700 /nfs/dbraw/zinc/40/27/00/602402700.db2.gz MQYBVAYZYGNFIJ-MRXNPFEDSA-N -1 1 399.422 2.243 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000739017881 602445610 /nfs/dbraw/zinc/44/56/10/602445610.db2.gz YJLKESFKWODOPN-VXGBXAGGSA-N -1 1 380.420 2.230 20 0 GEADMM CCCN(C(=O)Nc1ccccc1N1CCN(C)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739342071 602553669 /nfs/dbraw/zinc/55/36/69/602553669.db2.gz ICWJTBQMYNSCPM-MRXNPFEDSA-N -1 1 389.500 2.435 20 0 GEADMM CCOC(=O)Nc1ccc2c(CN(C)[C@H](C)CNC(=O)[O-])cc(=O)oc2c1 ZINC000739475117 602555781 /nfs/dbraw/zinc/55/57/81/602555781.db2.gz MRGIHWWNIZJFRB-LLVKDONJSA-N -1 1 377.397 2.449 20 0 GEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739457230 602582196 /nfs/dbraw/zinc/58/21/96/602582196.db2.gz QAXLJMRWMRXXDU-UHFFFAOYSA-N -1 1 383.880 2.213 20 0 GEADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000823999853 607574952 /nfs/dbraw/zinc/57/49/52/607574952.db2.gz JPJSQOKMCNMODV-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM CC(=O)CCc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000823967054 607575055 /nfs/dbraw/zinc/57/50/55/607575055.db2.gz HPOMLHQIVDWXBC-UHFFFAOYSA-N -1 1 386.433 2.464 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000740081274 602595000 /nfs/dbraw/zinc/59/50/00/602595000.db2.gz VSZQTXADSJKLCG-MRXNPFEDSA-N -1 1 375.473 2.011 20 0 GEADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825564863 607575113 /nfs/dbraw/zinc/57/51/13/607575113.db2.gz HQYJRIJPCFRWPJ-UHFFFAOYSA-N -1 1 388.405 2.120 20 0 GEADMM CN1CCN(c2ccc(CNC(=O)Nc3ccc(NC(=O)[O-])cc3)cn2)CC1 ZINC000739735694 602602376 /nfs/dbraw/zinc/60/23/76/602602376.db2.gz CXQBNGIHPMVGFL-UHFFFAOYSA-N -1 1 384.440 2.245 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)c1-c1nn[n-]n1 ZINC000826304238 607575887 /nfs/dbraw/zinc/57/58/87/607575887.db2.gz DDUHGCJEHDCWQK-UHFFFAOYSA-N -1 1 384.373 2.049 20 0 GEADMM CCOc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C=O)c1 ZINC000825643456 607576838 /nfs/dbraw/zinc/57/68/38/607576838.db2.gz OKISUSVRXHPYML-UHFFFAOYSA-N -1 1 388.405 2.154 20 0 GEADMM O=S(=O)(NCCCSc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490652 607578188 /nfs/dbraw/zinc/57/81/88/607578188.db2.gz CCPSCYNFSJCHOX-UHFFFAOYSA-N -1 1 393.469 2.467 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccnc1 ZINC000824640780 607578778 /nfs/dbraw/zinc/57/87/78/607578778.db2.gz OVLYOQXMPCYQJF-SECBINFHSA-N -1 1 398.370 2.320 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000739923621 602652223 /nfs/dbraw/zinc/65/22/23/602652223.db2.gz JVUGNXKXYAAFSX-UHFFFAOYSA-N -1 1 393.377 2.031 20 0 GEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000740453739 602666894 /nfs/dbraw/zinc/66/68/94/602666894.db2.gz RCUXQCNFCUSZRU-MRXNPFEDSA-N -1 1 395.394 2.332 20 0 GEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000740453739 602666895 /nfs/dbraw/zinc/66/68/95/602666895.db2.gz RCUXQCNFCUSZRU-MRXNPFEDSA-N -1 1 395.394 2.332 20 0 GEADMM C[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738979111 602668852 /nfs/dbraw/zinc/66/88/52/602668852.db2.gz MOLQDBRIKCODDB-DGCLKSJQSA-N -1 1 390.419 2.189 20 0 GEADMM C[C@@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738979111 602668854 /nfs/dbraw/zinc/66/88/54/602668854.db2.gz MOLQDBRIKCODDB-DGCLKSJQSA-N -1 1 390.419 2.189 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)N(C)C)c1 ZINC000739945514 602692146 /nfs/dbraw/zinc/69/21/46/602692146.db2.gz LMAWYTMMCAMJJF-RDTXWAMCSA-N -1 1 392.500 2.376 20 0 GEADMM C[C@H]1CN(CCCNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000739183347 602696469 /nfs/dbraw/zinc/69/64/69/602696469.db2.gz RJQMEDKESCFWNY-HOTGVXAUSA-N -1 1 392.500 2.032 20 0 GEADMM CC(C)(CNC(=O)c1csc(CNC(=O)[O-])n1)N1CCc2ccccc2C1 ZINC000738752868 602697781 /nfs/dbraw/zinc/69/77/81/602697781.db2.gz OZRHAAVEVVGULM-UHFFFAOYSA-N -1 1 388.493 2.477 20 0 GEADMM Cc1cccc(NC(=O)CN2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)c1C ZINC000740169801 602702112 /nfs/dbraw/zinc/70/21/12/602702112.db2.gz JULMVVPXRXJDLM-GOSISDBHSA-N -1 1 388.512 2.250 20 0 GEADMM C[C@@H](CCc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824412949 607577947 /nfs/dbraw/zinc/57/79/47/607577947.db2.gz HMWGPIFCHFNEIH-JTQLQIEISA-N -1 1 381.845 2.413 20 0 GEADMM C[C@@H](CCc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824412949 607577949 /nfs/dbraw/zinc/57/79/49/607577949.db2.gz HMWGPIFCHFNEIH-JTQLQIEISA-N -1 1 381.845 2.413 20 0 GEADMM COc1ccc(C)cc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826190217 607584008 /nfs/dbraw/zinc/58/40/08/607584008.db2.gz UJCJJIZRAMOIBX-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739851926 602762909 /nfs/dbraw/zinc/76/29/09/602762909.db2.gz OBOBPTYMDMAPOU-DZKIICNBSA-N -1 1 393.484 2.167 20 0 GEADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739441493 602765001 /nfs/dbraw/zinc/76/50/01/602765001.db2.gz NLUDFFLDDLKQTR-GOEBONIOSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825107978 602790630 /nfs/dbraw/zinc/79/06/30/602790630.db2.gz IUMSKGXSJJCCPT-GOEBONIOSA-N -1 1 392.475 2.287 20 0 GEADMM C[C@@H]1CN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739174544 602796304 /nfs/dbraw/zinc/79/63/04/602796304.db2.gz PGRSWMDQCAIUFH-PBHICJAKSA-N -1 1 381.448 2.031 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])c1ccccc1Cl ZINC000739405827 602834870 /nfs/dbraw/zinc/83/48/70/602834870.db2.gz DSHVHOSVYVVOOE-JKSUJKDBSA-N -1 1 383.876 2.218 20 0 GEADMM C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739085135 602855786 /nfs/dbraw/zinc/85/57/86/602855786.db2.gz CDDJFKMKXYYBLQ-GASCZTMLSA-N -1 1 390.484 2.113 20 0 GEADMM C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739085135 602855791 /nfs/dbraw/zinc/85/57/91/602855791.db2.gz CDDJFKMKXYYBLQ-GASCZTMLSA-N -1 1 390.484 2.113 20 0 GEADMM C[C@@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739149210 602882002 /nfs/dbraw/zinc/88/20/02/602882002.db2.gz ZTGXFHVSWNEDIV-GASCZTMLSA-N -1 1 375.473 2.043 20 0 GEADMM Cc1ccccc1C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826306908 607593059 /nfs/dbraw/zinc/59/30/59/607593059.db2.gz PJVWVZIVPLHNRQ-LBPRGKRZSA-N -1 1 375.429 2.224 20 0 GEADMM Cc1ccccc1C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826306908 607593061 /nfs/dbraw/zinc/59/30/61/607593061.db2.gz PJVWVZIVPLHNRQ-LBPRGKRZSA-N -1 1 375.429 2.224 20 0 GEADMM CSc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826231111 607595808 /nfs/dbraw/zinc/59/58/08/607595808.db2.gz XRIZJONBMMPDRN-UHFFFAOYSA-N -1 1 379.442 2.206 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)N(C)C)c1 ZINC000739945502 602956311 /nfs/dbraw/zinc/95/63/11/602956311.db2.gz LIHPWGLSPQIIQY-ZQIUZPCESA-N -1 1 378.473 2.080 20 0 GEADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824426816 607597069 /nfs/dbraw/zinc/59/70/69/607597069.db2.gz IYYABLSQMCPYGC-SNVBAGLBSA-N -1 1 379.392 2.227 20 0 GEADMM O=C(Cc1csc(-c2cccnc2)n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826424106 607598412 /nfs/dbraw/zinc/59/84/12/607598412.db2.gz WBYMERXROWHRHN-UHFFFAOYSA-N -1 1 379.405 2.066 20 0 GEADMM O=C(Cc1csc(-c2cccnc2)n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826424106 607598413 /nfs/dbraw/zinc/59/84/13/607598413.db2.gz WBYMERXROWHRHN-UHFFFAOYSA-N -1 1 379.405 2.066 20 0 GEADMM Cc1ccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000826287112 607598967 /nfs/dbraw/zinc/59/89/67/607598967.db2.gz CYNZHXDTQDTAGR-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CCN1CCOC ZINC000739277779 602998688 /nfs/dbraw/zinc/99/86/88/602998688.db2.gz HFYVSNLERQCLOU-INIZCTEOSA-N -1 1 390.484 2.297 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CCN1CCOC ZINC000739277780 602998698 /nfs/dbraw/zinc/99/86/98/602998698.db2.gz HFYVSNLERQCLOU-MRXNPFEDSA-N -1 1 390.484 2.297 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059523 607605502 /nfs/dbraw/zinc/60/55/02/607605502.db2.gz GJFMYKAKHBYKDK-BXUZGUMPSA-N -1 1 390.444 2.244 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059523 607605505 /nfs/dbraw/zinc/60/55/05/607605505.db2.gz GJFMYKAKHBYKDK-BXUZGUMPSA-N -1 1 390.444 2.244 20 0 GEADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739063909 603067067 /nfs/dbraw/zinc/06/70/67/603067067.db2.gz OHQYUHVEJCEOEH-GOEBONIOSA-N -1 1 386.452 2.498 20 0 GEADMM CCCc1nnc([C@@H]2CN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000826955219 603079392 /nfs/dbraw/zinc/07/93/92/603079392.db2.gz YUGDBKDYWYWHER-ZDUSSCGKSA-N -1 1 377.376 2.200 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CCO2)n1 ZINC000826955219 603079396 /nfs/dbraw/zinc/07/93/96/603079396.db2.gz YUGDBKDYWYWHER-ZDUSSCGKSA-N -1 1 377.376 2.200 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Br)c1O ZINC000826467061 607606214 /nfs/dbraw/zinc/60/62/14/607606214.db2.gz FZCSGVPRBPPDDD-UHFFFAOYSA-N -1 1 376.170 2.087 20 0 GEADMM COCCN(CC(=O)Nc1ccc(CN2CCSCC2)cc1C)C(=O)[O-] ZINC000739821993 603097105 /nfs/dbraw/zinc/09/71/05/603097105.db2.gz QYVXGWNIYDZKBZ-UHFFFAOYSA-N -1 1 381.498 2.109 20 0 GEADMM Cc1csc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826320210 607607211 /nfs/dbraw/zinc/60/72/11/607607211.db2.gz JOSXSTRBWXOWDH-MRVPVSSYSA-N -1 1 384.874 2.325 20 0 GEADMM Cc1csc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826320210 607607213 /nfs/dbraw/zinc/60/72/13/607607213.db2.gz JOSXSTRBWXOWDH-MRVPVSSYSA-N -1 1 384.874 2.325 20 0 GEADMM CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000825241930 607608374 /nfs/dbraw/zinc/60/83/74/607608374.db2.gz DSGKCLLMVCRJRN-CQSZACIVSA-N -1 1 376.417 2.221 20 0 GEADMM CCCN(C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739342505 603126697 /nfs/dbraw/zinc/12/66/97/603126697.db2.gz JWTBTMJSXGAMNU-CQSZACIVSA-N -1 1 390.419 2.285 20 0 GEADMM CCCN(C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739342505 603126700 /nfs/dbraw/zinc/12/67/00/603126700.db2.gz JWTBTMJSXGAMNU-CQSZACIVSA-N -1 1 390.419 2.285 20 0 GEADMM O=S(=O)(NC1(c2ccc(F)cc2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487352 607609465 /nfs/dbraw/zinc/60/94/65/607609465.db2.gz LVEAAUGCYOIKEH-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM O=S(=O)(NC1(c2ccc(F)cc2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487352 607609466 /nfs/dbraw/zinc/60/94/66/607609466.db2.gz LVEAAUGCYOIKEH-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM C[C@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)N1CCc2ccccc2C1 ZINC000738917265 603166723 /nfs/dbraw/zinc/16/67/23/603166723.db2.gz VRVWPOVZUHOIOL-MRXNPFEDSA-N -1 1 393.487 2.355 20 0 GEADMM CCOC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825553707 607611867 /nfs/dbraw/zinc/61/18/67/607611867.db2.gz VFEHEWXAYHQRQB-UHFFFAOYSA-N -1 1 389.393 2.203 20 0 GEADMM O=S(=O)(NCCc1ccc(F)cc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491429 607614156 /nfs/dbraw/zinc/61/41/56/607614156.db2.gz IXQONMLPEXYHKR-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=S(=O)(NCCc1ccc(F)cc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491429 607614157 /nfs/dbraw/zinc/61/41/57/607614157.db2.gz IXQONMLPEXYHKR-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=C([O-])N1CC[C@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C1 ZINC000740368799 603222984 /nfs/dbraw/zinc/22/29/84/603222984.db2.gz MFVJKCSVXRQHDD-HNNXBMFYSA-N -1 1 388.468 2.440 20 0 GEADMM COCc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826164768 607615366 /nfs/dbraw/zinc/61/53/66/607615366.db2.gz PJQYGRZVIHGBDH-UHFFFAOYSA-N -1 1 380.813 2.434 20 0 GEADMM COCc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826164768 607615367 /nfs/dbraw/zinc/61/53/67/607615367.db2.gz PJQYGRZVIHGBDH-UHFFFAOYSA-N -1 1 380.813 2.434 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000824157247 607616036 /nfs/dbraw/zinc/61/60/36/607616036.db2.gz DSZJPONHIYVCKH-UHFFFAOYSA-N -1 1 381.458 2.323 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000824157247 607616037 /nfs/dbraw/zinc/61/60/37/607616037.db2.gz DSZJPONHIYVCKH-UHFFFAOYSA-N -1 1 381.458 2.323 20 0 GEADMM O=S(=O)(NCCc1ccc(F)cc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491325 607616042 /nfs/dbraw/zinc/61/60/42/607616042.db2.gz CYTQWYQZZQRVPP-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM CN(CCCNC(=O)[O-])[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000739675994 603256570 /nfs/dbraw/zinc/25/65/70/603256570.db2.gz IGFDJATWWACBPR-ZDUSSCGKSA-N -1 1 375.347 2.280 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)CC1 ZINC000827227255 603260000 /nfs/dbraw/zinc/26/00/00/603260000.db2.gz CQZHEWXUDIZWFU-OAHLLOKOSA-N -1 1 375.473 2.045 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000824167791 607618946 /nfs/dbraw/zinc/61/89/46/607618946.db2.gz VJFCYOKXPQYDAS-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000824167791 607618947 /nfs/dbraw/zinc/61/89/47/607618947.db2.gz VJFCYOKXPQYDAS-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM Cc1csc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826320067 607619011 /nfs/dbraw/zinc/61/90/11/607619011.db2.gz FRTUXXWERSSKJB-UHFFFAOYSA-N -1 1 398.901 2.499 20 0 GEADMM Cc1csc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826320067 607619012 /nfs/dbraw/zinc/61/90/12/607619012.db2.gz FRTUXXWERSSKJB-UHFFFAOYSA-N -1 1 398.901 2.499 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C1 ZINC000738824986 603292994 /nfs/dbraw/zinc/29/29/94/603292994.db2.gz ODDLLCJMCDCJNV-INIZCTEOSA-N -1 1 390.484 2.201 20 0 GEADMM CSCC[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826228152 607620121 /nfs/dbraw/zinc/62/01/21/607620121.db2.gz GPYNVUNFVOSAOR-SECBINFHSA-N -1 1 375.907 2.282 20 0 GEADMM CSCC[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826228152 607620122 /nfs/dbraw/zinc/62/01/22/607620122.db2.gz GPYNVUNFVOSAOR-SECBINFHSA-N -1 1 375.907 2.282 20 0 GEADMM O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487075 607620254 /nfs/dbraw/zinc/62/02/54/607620254.db2.gz CHKUPKUGFFFBJY-INIZCTEOSA-N -1 1 387.440 2.305 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CN(CC3CC3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000826059222 603319061 /nfs/dbraw/zinc/31/90/61/603319061.db2.gz RWIBTFHJWYWWHZ-IYBDPMFKSA-N -1 1 389.496 2.302 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826304424 607622233 /nfs/dbraw/zinc/62/22/33/607622233.db2.gz KQCBHZKRZOTEAJ-UHFFFAOYSA-N -1 1 382.405 2.129 20 0 GEADMM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739062458 603345616 /nfs/dbraw/zinc/34/56/16/603345616.db2.gz GCQZZABQQFKIQZ-UONOGXRCSA-N -1 1 391.497 2.477 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000825427105 603373643 /nfs/dbraw/zinc/37/36/43/603373643.db2.gz OXLCXBSPLKDBGT-JQFCIGGWSA-N -1 1 376.457 2.078 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1nccs1 ZINC000825146503 607620705 /nfs/dbraw/zinc/62/07/05/607620705.db2.gz CMCXYZMSYPRYOK-SECBINFHSA-N -1 1 384.874 2.406 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1nccs1 ZINC000825146503 607620706 /nfs/dbraw/zinc/62/07/06/607620706.db2.gz CMCXYZMSYPRYOK-SECBINFHSA-N -1 1 384.874 2.406 20 0 GEADMM Cc1ccccc1N1CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000830580611 603399401 /nfs/dbraw/zinc/39/94/01/603399401.db2.gz HIIJKCQURKFNQY-FPOVZHCZSA-N -1 1 383.492 2.357 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)CC2)c1 ZINC000830510654 603468243 /nfs/dbraw/zinc/46/82/43/603468243.db2.gz AAFDYWCAQRJIPL-ZWKOTPCHSA-N -1 1 388.512 2.060 20 0 GEADMM CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114449 603534223 /nfs/dbraw/zinc/53/42/23/603534223.db2.gz ICOZFOSLCXKODO-SNVBAGLBSA-N -1 1 385.346 2.204 20 0 GEADMM O=C([O-])NCCc1ccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000832671455 603557067 /nfs/dbraw/zinc/55/70/67/603557067.db2.gz AZYUDTUKJPUOFH-UHFFFAOYSA-N -1 1 380.408 2.399 20 0 GEADMM CCN(CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C1CCCCC1 ZINC000827156682 603591583 /nfs/dbraw/zinc/59/15/83/603591583.db2.gz KHOOLZHOUHTTQQ-IFXJQAMLSA-N -1 1 380.489 2.347 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN(C1CC1)C1CCCC1)C2=O ZINC000832500146 603595523 /nfs/dbraw/zinc/59/55/23/603595523.db2.gz VFTBQPMJGSXZHQ-ORAYPTAESA-N -1 1 378.473 2.099 20 0 GEADMM CC1N=NC(C(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)=C1[O-] ZINC000826321318 607639200 /nfs/dbraw/zinc/63/92/00/607639200.db2.gz APPVABNHRUCCCN-UHFFFAOYSA-N -1 1 391.391 2.435 20 0 GEADMM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4cc(F)ccc4o3)C2)CC1 ZINC000832018412 603605184 /nfs/dbraw/zinc/60/51/84/603605184.db2.gz JRYDJDXWOYWYQI-CYBMUJFWSA-N -1 1 390.415 2.001 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)N2CCCC2)c1 ZINC000829543573 603613553 /nfs/dbraw/zinc/61/35/53/603613553.db2.gz MWQZWEXIHDQWJX-AEFFLSMTSA-N -1 1 390.484 2.226 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823714582 603630104 /nfs/dbraw/zinc/63/01/04/603630104.db2.gz PTUFVMRKSXPDFT-CYBMUJFWSA-N -1 1 379.457 2.401 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]2CCCO[C@@H]21 ZINC000824789002 607646446 /nfs/dbraw/zinc/64/64/46/607646446.db2.gz FDOBAADZUAEILD-FZZIBODNSA-N -1 1 397.888 2.002 20 0 GEADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]2CCCO[C@@H]21 ZINC000824789002 607646449 /nfs/dbraw/zinc/64/64/49/607646449.db2.gz FDOBAADZUAEILD-FZZIBODNSA-N -1 1 397.888 2.002 20 0 GEADMM COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3CCCN(C(=O)[O-])C3)C2=O)c1 ZINC000829211236 603731619 /nfs/dbraw/zinc/73/16/19/603731619.db2.gz OSGSZBVVEBDSPP-RDTXWAMCSA-N -1 1 391.468 2.131 20 0 GEADMM CN(CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1)c1ccccc1 ZINC000828114608 603735116 /nfs/dbraw/zinc/73/51/16/603735116.db2.gz IJNQAWRDHFXSQO-UHFFFAOYSA-N -1 1 380.408 2.314 20 0 GEADMM CN(CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1)c1ccccc1 ZINC000828114608 603735122 /nfs/dbraw/zinc/73/51/22/603735122.db2.gz IJNQAWRDHFXSQO-UHFFFAOYSA-N -1 1 380.408 2.314 20 0 GEADMM Cc1csc([C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C2CC2)n1 ZINC000826320453 607649269 /nfs/dbraw/zinc/64/92/69/607649269.db2.gz RGWXTQLJOYGCCS-ZDUSSCGKSA-N -1 1 394.457 2.200 20 0 GEADMM Cc1csc([C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C2CC2)n1 ZINC000826320453 607649270 /nfs/dbraw/zinc/64/92/70/607649270.db2.gz RGWXTQLJOYGCCS-ZDUSSCGKSA-N -1 1 394.457 2.200 20 0 GEADMM CCCN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826886973 603756440 /nfs/dbraw/zinc/75/64/40/603756440.db2.gz GCMJAOLIGMOVSA-LJQANCHMSA-N -1 1 388.512 2.039 20 0 GEADMM Cc1nnc(SCCC(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)[nH]1 ZINC000830894836 603774156 /nfs/dbraw/zinc/77/41/56/603774156.db2.gz XQJDZGIRWIRRRK-UHFFFAOYSA-N -1 1 375.454 2.342 20 0 GEADMM Cc1ccc(O[C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292064 607650876 /nfs/dbraw/zinc/65/08/76/607650876.db2.gz GRDRYVLWDZOCCJ-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1ccc(O[C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292064 607650878 /nfs/dbraw/zinc/65/08/78/607650878.db2.gz GRDRYVLWDZOCCJ-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM O=C1CCCc2c(OS(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)cccc21 ZINC000826480521 607651384 /nfs/dbraw/zinc/65/13/84/607651384.db2.gz FSOLQYFAIDQITD-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM O=C1CCCc2c(OS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)cccc21 ZINC000826480521 607651386 /nfs/dbraw/zinc/65/13/86/607651386.db2.gz FSOLQYFAIDQITD-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)ccc1Cl ZINC000828761466 603807433 /nfs/dbraw/zinc/80/74/33/603807433.db2.gz VJGBHWFOCYZECV-UHFFFAOYSA-N -1 1 385.785 2.412 20 0 GEADMM Cc1ccccc1O[C@@H](C)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826307814 607651650 /nfs/dbraw/zinc/65/16/50/607651650.db2.gz XJFCFZRREAIHSF-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1ccccc1O[C@@H](C)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826307814 607651651 /nfs/dbraw/zinc/65/16/51/607651651.db2.gz XJFCFZRREAIHSF-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM COc1cccc([C@@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829544710 603812684 /nfs/dbraw/zinc/81/26/84/603812684.db2.gz XHNJXMCCMHCTNJ-VQIMIIECSA-N -1 1 379.432 2.040 20 0 GEADMM CN(C)S(=O)(=O)c1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000828051541 603852849 /nfs/dbraw/zinc/85/28/49/603852849.db2.gz NVWQARVZIWNUGM-UHFFFAOYSA-N -1 1 389.477 2.267 20 0 GEADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCCC2 ZINC000825583647 607656197 /nfs/dbraw/zinc/65/61/97/607656197.db2.gz VWININKGTRIAQQ-ZIAGYGMSSA-N -1 1 395.460 2.022 20 0 GEADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCCC2 ZINC000825583647 607656198 /nfs/dbraw/zinc/65/61/98/607656198.db2.gz VWININKGTRIAQQ-ZIAGYGMSSA-N -1 1 395.460 2.022 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829544281 603890711 /nfs/dbraw/zinc/89/07/11/603890711.db2.gz USCZGFQXHNIXOW-SZMVWBNQSA-N -1 1 392.500 2.424 20 0 GEADMM CC(C)n1ccc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n1 ZINC000824520297 603912637 /nfs/dbraw/zinc/91/26/37/603912637.db2.gz PIWJKOSPIQWHFC-UHFFFAOYSA-N -1 1 383.412 2.198 20 0 GEADMM CC(C)n1ccc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n1 ZINC000824520297 603912638 /nfs/dbraw/zinc/91/26/38/603912638.db2.gz PIWJKOSPIQWHFC-UHFFFAOYSA-N -1 1 383.412 2.198 20 0 GEADMM CCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000825171608 607663716 /nfs/dbraw/zinc/66/37/16/607663716.db2.gz SDZGXRNJKLIEBW-UHFFFAOYSA-N -1 1 375.376 2.354 20 0 GEADMM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000832350323 603935536 /nfs/dbraw/zinc/93/55/36/603935536.db2.gz QGVFGYSDZMAJGR-FGTMMUONSA-N -1 1 381.517 2.306 20 0 GEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3O)CCO2)n[nH]1 ZINC000823865055 603948236 /nfs/dbraw/zinc/94/82/36/603948236.db2.gz UFOZATPVYJGQEW-CYBMUJFWSA-N -1 1 389.412 2.111 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3O)CCO2)[nH]1 ZINC000823865055 603948239 /nfs/dbraw/zinc/94/82/39/603948239.db2.gz UFOZATPVYJGQEW-CYBMUJFWSA-N -1 1 389.412 2.111 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825459915 603949368 /nfs/dbraw/zinc/94/93/68/603949368.db2.gz TVOKTTFTBHENAL-LLVKDONJSA-N -1 1 382.376 2.401 20 0 GEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829691903 603957149 /nfs/dbraw/zinc/95/71/49/603957149.db2.gz STMJBWQWAPTNBB-UHFFFAOYSA-N -1 1 375.406 2.351 20 0 GEADMM COC1(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CCN(C(=O)[O-])CC1 ZINC000828855382 603971256 /nfs/dbraw/zinc/97/12/56/603971256.db2.gz AUSBTSDKGQKMRM-HNNXBMFYSA-N -1 1 383.876 2.218 20 0 GEADMM CCC(CC)(CNC(=O)NC1CCN(Cc2ccncc2)CC1)NC(=O)[O-] ZINC000826141885 604020481 /nfs/dbraw/zinc/02/04/81/604020481.db2.gz LZJLQVNOMAEYCV-UHFFFAOYSA-N -1 1 377.489 2.172 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824640098 607667042 /nfs/dbraw/zinc/66/70/42/607667042.db2.gz AJEWHWZXLMPBGC-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM Cc1noc(C)c1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826339256 607668042 /nfs/dbraw/zinc/66/80/42/607668042.db2.gz XNJOJFYWFWUQOX-UHFFFAOYSA-N -1 1 396.860 2.036 20 0 GEADMM Cc1noc(C)c1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826339256 607668045 /nfs/dbraw/zinc/66/80/45/607668045.db2.gz XNJOJFYWFWUQOX-UHFFFAOYSA-N -1 1 396.860 2.036 20 0 GEADMM O=S(=O)(NC[C@H]1CCCS1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489911 607669497 /nfs/dbraw/zinc/66/94/97/607669497.db2.gz DCJFMKOAUUGZFA-SECBINFHSA-N -1 1 393.416 2.059 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC000824158389 607670305 /nfs/dbraw/zinc/67/03/05/607670305.db2.gz VLTVPPCMSBHMAP-CYBMUJFWSA-N -1 1 399.904 2.394 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC000824158389 607670306 /nfs/dbraw/zinc/67/03/06/607670306.db2.gz VLTVPPCMSBHMAP-CYBMUJFWSA-N -1 1 399.904 2.394 20 0 GEADMM CC(C)c1csc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824352944 607672875 /nfs/dbraw/zinc/67/28/75/607672875.db2.gz RXLMFYGRFVMKNQ-UHFFFAOYSA-N -1 1 382.446 2.064 20 0 GEADMM CC(C)c1csc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824352944 607672877 /nfs/dbraw/zinc/67/28/77/607672877.db2.gz RXLMFYGRFVMKNQ-UHFFFAOYSA-N -1 1 382.446 2.064 20 0 GEADMM CC(C)c1csc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000824352508 607672902 /nfs/dbraw/zinc/67/29/02/607672902.db2.gz GEZZFEWQSRHTMK-UHFFFAOYSA-N -1 1 382.446 2.064 20 0 GEADMM Cc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)sc1C ZINC000826325534 607674341 /nfs/dbraw/zinc/67/43/41/607674341.db2.gz AWBCHHLVWGOHRN-UHFFFAOYSA-N -1 1 398.901 2.114 20 0 GEADMM Cc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)sc1C ZINC000826325534 607674343 /nfs/dbraw/zinc/67/43/43/607674343.db2.gz AWBCHHLVWGOHRN-UHFFFAOYSA-N -1 1 398.901 2.114 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000832516219 604146098 /nfs/dbraw/zinc/14/60/98/604146098.db2.gz USBMTOWTZFAHBO-JSGCOSHPSA-N -1 1 390.419 2.236 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000832516219 604146099 /nfs/dbraw/zinc/14/60/99/604146099.db2.gz USBMTOWTZFAHBO-JSGCOSHPSA-N -1 1 390.419 2.236 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(C)c1 ZINC000826203494 607675321 /nfs/dbraw/zinc/67/53/21/607675321.db2.gz RCIADSCMMNAOPN-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(C)c1 ZINC000826203494 607675323 /nfs/dbraw/zinc/67/53/23/607675323.db2.gz RCIADSCMMNAOPN-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000823618594 604182833 /nfs/dbraw/zinc/18/28/33/604182833.db2.gz YECJAUHIYRNKHJ-IPYPFGDCSA-N -1 1 376.457 2.340 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)C2)c(OC)c1 ZINC000444218472 649941977 /nfs/dbraw/zinc/94/19/77/649941977.db2.gz KSELRVCVHAPVMS-CHWSQXEVSA-N -1 1 390.527 2.314 20 0 GEADMM C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824685672 604310603 /nfs/dbraw/zinc/31/06/03/604310603.db2.gz OPYCCOFZUZXYKE-HZPDHXFCSA-N -1 1 389.500 2.188 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3cc(NC(=O)[O-])ccc3F)CCO2)n[nH]1 ZINC000827620270 604341475 /nfs/dbraw/zinc/34/14/75/604341475.db2.gz HDQBVCAYYQIWLN-LBPRGKRZSA-N -1 1 378.364 2.202 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3cccc4c3CCN4C(=O)[O-])CCO2)n[nH]1 ZINC000827622113 604349759 /nfs/dbraw/zinc/34/97/59/604349759.db2.gz XYGAMJPWAACQKK-AWEZNQCLSA-N -1 1 386.412 2.013 20 0 GEADMM CC(C)COC[C@@H](O)CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000826900426 604357530 /nfs/dbraw/zinc/35/75/30/604357530.db2.gz GIWXOOHEZLXKDB-ROUUACIJSA-N -1 1 384.904 2.117 20 0 GEADMM CC(C)COC[C@@H](O)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000826900427 604357566 /nfs/dbraw/zinc/35/75/66/604357566.db2.gz GIWXOOHEZLXKDB-ZWKOTPCHSA-N -1 1 384.904 2.117 20 0 GEADMM CC(C)COC[C@H](O)CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000826900424 604358069 /nfs/dbraw/zinc/35/80/69/604358069.db2.gz GIWXOOHEZLXKDB-MSOLQXFVSA-N -1 1 384.904 2.117 20 0 GEADMM O=S(=O)([N-]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(F)c(F)c1F ZINC000826487257 607691906 /nfs/dbraw/zinc/69/19/06/607691906.db2.gz JCLVFAGUMPHAST-UHFFFAOYSA-N -1 1 395.366 2.252 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1N1CCCC1=O ZINC000467773848 604500357 /nfs/dbraw/zinc/50/03/57/604500357.db2.gz ZAVJRQFPZWVNRC-UHFFFAOYSA-N -1 1 394.405 2.222 20 0 GEADMM CCN1CCN(c2ccc(CNC(=O)Nc3cc(C(=O)[O-])cs3)cn2)CC1 ZINC000829780882 604504824 /nfs/dbraw/zinc/50/48/24/604504824.db2.gz NCLUYFVIZCAUAX-UHFFFAOYSA-N -1 1 389.481 2.305 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828170356 604551722 /nfs/dbraw/zinc/55/17/22/604551722.db2.gz YTNPYAKWGVSSQS-WFASDCNBSA-N -1 1 387.461 2.164 20 0 GEADMM O=C([O-])N[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000740586149 604587150 /nfs/dbraw/zinc/58/71/50/604587150.db2.gz CEWLINFJKFUQJN-MRXNPFEDSA-N -1 1 380.876 2.356 20 0 GEADMM CC[C@@H]1CN(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)CCN1CCOC ZINC000826681498 604611111 /nfs/dbraw/zinc/61/11/11/604611111.db2.gz GHKSJKJLLWUREW-MAUKXSAKSA-N -1 1 392.500 2.267 20 0 GEADMM O=C([O-])c1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000833782905 604647024 /nfs/dbraw/zinc/64/70/24/604647024.db2.gz SKKBMAPUWUYOPW-YQVWRLOYSA-N -1 1 375.396 2.072 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000827380674 604702381 /nfs/dbraw/zinc/70/23/81/604702381.db2.gz UBMGKSOKHZLUHT-MRXNPFEDSA-N -1 1 390.480 2.003 20 0 GEADMM Cc1nn(Cc2coc(-c3c(F)cccc3F)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334583 607710749 /nfs/dbraw/zinc/71/07/49/607710749.db2.gz AQGAYFAHTYJSTM-UHFFFAOYSA-N -1 1 385.334 2.022 20 0 GEADMM COC(=O)C1CCC(NC(=O)c2ccc(Nc3ccncc3)cc2)(C(=O)[O-])CC1 ZINC000833704783 604745215 /nfs/dbraw/zinc/74/52/15/604745215.db2.gz GKIBFUHBRDQHTE-UHFFFAOYSA-N -1 1 397.431 2.164 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cc(C)nn2C2CCOCC2)cc1C(=O)[O-] ZINC000832468970 604797847 /nfs/dbraw/zinc/79/78/47/604797847.db2.gz XSDWCHZXXVMWLK-UHFFFAOYSA-N -1 1 395.437 2.051 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cc(CO)ccc2C)c(OC)c1C(=O)[O-] ZINC000833734787 604862150 /nfs/dbraw/zinc/86/21/50/604862150.db2.gz WXLUNDAPQRWXQW-UHFFFAOYSA-N -1 1 381.406 2.004 20 0 GEADMM O=C([O-])c1ccc(CCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000833102695 604918297 /nfs/dbraw/zinc/91/82/97/604918297.db2.gz VFDHVSLIUQDVRY-SFTDATJTSA-N -1 1 396.487 2.317 20 0 GEADMM O=C([O-])c1ccc(CCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000833102692 604918423 /nfs/dbraw/zinc/91/84/23/604918423.db2.gz VFDHVSLIUQDVRY-RTWAWAEBSA-N -1 1 396.487 2.317 20 0 GEADMM O=C([O-])COc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1Cl ZINC000833254755 604923275 /nfs/dbraw/zinc/92/32/75/604923275.db2.gz BUJHXBGCUKAGQC-UHFFFAOYSA-N -1 1 397.859 2.132 20 0 GEADMM CCCN(C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826884895 604929752 /nfs/dbraw/zinc/92/97/52/604929752.db2.gz YHMWMPPAHADKAA-NSHDSACASA-N -1 1 376.438 2.229 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000652499541 604949642 /nfs/dbraw/zinc/94/96/42/604949642.db2.gz AVKOXEVNJLMKKT-AWEZNQCLSA-N -1 1 384.498 2.387 20 0 GEADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833516466 604962770 /nfs/dbraw/zinc/96/27/70/604962770.db2.gz XIYROVIRIUHLIU-MFMILTCTSA-N -1 1 394.471 2.349 20 0 GEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)C(=O)[O-] ZINC000833477576 604972962 /nfs/dbraw/zinc/97/29/62/604972962.db2.gz KGITZPKHIXCJBM-SQNIBIBYSA-N -1 1 380.460 2.329 20 0 GEADMM O=C([O-])C[C@H]1CCCN1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000833210247 604976962 /nfs/dbraw/zinc/97/69/62/604976962.db2.gz FLCPPYREBYKTLZ-GOSISDBHSA-N -1 1 393.443 2.379 20 0 GEADMM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000833764140 604981666 /nfs/dbraw/zinc/98/16/66/604981666.db2.gz YQYNFZIECCRHFL-TZIWHRDSSA-N -1 1 396.487 2.317 20 0 GEADMM C[C@H](Sc1ccccc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)C(=O)[O-] ZINC000833544824 604986993 /nfs/dbraw/zinc/98/69/93/604986993.db2.gz JXBQEUITTRXWOF-VIFPVBQESA-N -1 1 384.417 2.479 20 0 GEADMM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ncc1Br ZINC000833729347 605008870 /nfs/dbraw/zinc/00/88/70/605008870.db2.gz LMGLVWVQHHQSRV-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000833480215 605040401 /nfs/dbraw/zinc/04/04/01/605040401.db2.gz PSFDOBQSJGPUBA-RHSMWYFYSA-N -1 1 394.491 2.437 20 0 GEADMM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000833389579 605042475 /nfs/dbraw/zinc/04/24/75/605042475.db2.gz PXZGSCXFHABWTD-FZMZJTMJSA-N -1 1 376.413 2.162 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000833597139 605044720 /nfs/dbraw/zinc/04/47/20/605044720.db2.gz JDIXPEKKVCJDHT-OCCSQVGLSA-N -1 1 395.506 2.173 20 0 GEADMM CC(C)COC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccco1 ZINC000833487363 605047539 /nfs/dbraw/zinc/04/75/39/605047539.db2.gz BKCUMJAIIQLHBK-CVEARBPZSA-N -1 1 381.473 2.184 20 0 GEADMM COc1ccc(CC[C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833731469 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O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000834085832 605812950 /nfs/dbraw/zinc/81/29/50/605812950.db2.gz AKJYMMZEUNRUKO-SFHVURJKSA-N -1 1 393.528 2.118 20 0 GEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000834023129 605842132 /nfs/dbraw/zinc/84/21/32/605842132.db2.gz VDVYLIIQPGAQMG-QGZVFWFLSA-N -1 1 393.528 2.165 20 0 GEADMM CCc1c(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])[nH]nc1-c1ccncc1 ZINC000827552612 605890224 /nfs/dbraw/zinc/89/02/24/605890224.db2.gz XTJPQJWOAYXRJM-GFCCVEGCSA-N -1 1 375.454 2.458 20 0 GEADMM N=C(NOCc1csc(-c2ccc(F)cc2)n1)[C@@H]1COCCN1C(=O)[O-] ZINC000833981717 605924887 /nfs/dbraw/zinc/92/48/87/605924887.db2.gz VMTAIRMYQVLJFB-ZDUSSCGKSA-N -1 1 380.401 2.326 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170314 605975658 /nfs/dbraw/zinc/97/56/58/605975658.db2.gz SUFOYUFIHYSIMB-HOCLYGCPSA-N -1 1 375.469 2.408 20 0 GEADMM CSc1nnc(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)s1 ZINC000445700065 649963763 /nfs/dbraw/zinc/96/37/63/649963763.db2.gz QXERIKQIOZHLFS-UHFFFAOYSA-N -1 1 379.492 2.196 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@](C)(C1CC1)C(F)(F)F ZINC000822005480 606067320 /nfs/dbraw/zinc/06/73/20/606067320.db2.gz RQKNGFXEZUYMFJ-MRXNPFEDSA-N -1 1 398.389 2.364 20 0 GEADMM CCOC(=O)c1sc(CNc2c3ccccc3nnc2-c2nnn[n-]2)nc1C ZINC000821346001 606102877 /nfs/dbraw/zinc/10/28/77/606102877.db2.gz BWNHVADPZVMMOL-UHFFFAOYSA-N -1 1 396.436 2.364 20 0 GEADMM CCOC(=O)c1sc(CNc2c3ccccc3nnc2-c2nn[n-]n2)nc1C ZINC000821346001 606102878 /nfs/dbraw/zinc/10/28/78/606102878.db2.gz BWNHVADPZVMMOL-UHFFFAOYSA-N -1 1 396.436 2.364 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823791629 606106107 /nfs/dbraw/zinc/10/61/07/606106107.db2.gz GHWUJJUAYNLXNT-OAHLLOKOSA-N -1 1 395.467 2.364 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823791629 606106109 /nfs/dbraw/zinc/10/61/09/606106109.db2.gz GHWUJJUAYNLXNT-OAHLLOKOSA-N -1 1 395.467 2.364 20 0 GEADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Br ZINC000821720042 606106637 /nfs/dbraw/zinc/10/66/37/606106637.db2.gz MSFBHVLYXXXXAW-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Br ZINC000821720042 606106638 /nfs/dbraw/zinc/10/66/38/606106638.db2.gz MSFBHVLYXXXXAW-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000822457881 606120373 /nfs/dbraw/zinc/12/03/73/606120373.db2.gz AQJYZTLETOARJT-GJZGRUSLSA-N -1 1 394.483 2.107 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000822457881 606120376 /nfs/dbraw/zinc/12/03/76/606120376.db2.gz AQJYZTLETOARJT-GJZGRUSLSA-N -1 1 394.483 2.107 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccc(Cl)cc1 ZINC000820512489 606135431 /nfs/dbraw/zinc/13/54/31/606135431.db2.gz LNCJXVWUNYKTGN-VIFPVBQESA-N -1 1 391.840 2.443 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccc(Cl)cc1 ZINC000820512489 606135433 /nfs/dbraw/zinc/13/54/33/606135433.db2.gz LNCJXVWUNYKTGN-VIFPVBQESA-N -1 1 391.840 2.443 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933509 606137304 /nfs/dbraw/zinc/13/73/04/606137304.db2.gz UJLXTOGRJCNOLT-SNVBAGLBSA-N -1 1 379.442 2.342 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933509 606137305 /nfs/dbraw/zinc/13/73/05/606137305.db2.gz UJLXTOGRJCNOLT-SNVBAGLBSA-N -1 1 379.442 2.342 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCc1ccc(Cl)cc1 ZINC000823026948 606140975 /nfs/dbraw/zinc/14/09/75/606140975.db2.gz JTEXZCPZBIWNRO-UHFFFAOYSA-N -1 1 391.840 2.097 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCc1ccc(Cl)cc1 ZINC000823026948 606140978 /nfs/dbraw/zinc/14/09/78/606140978.db2.gz JTEXZCPZBIWNRO-UHFFFAOYSA-N -1 1 391.840 2.097 20 0 GEADMM COc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H](C)C2CC2)cc1 ZINC000821794981 606155680 /nfs/dbraw/zinc/15/56/80/606155680.db2.gz ROEODIUZKBWGOA-GFCCVEGCSA-N -1 1 396.455 2.441 20 0 GEADMM COc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H](C)C2CC2)cc1 ZINC000821794981 606155681 /nfs/dbraw/zinc/15/56/81/606155681.db2.gz ROEODIUZKBWGOA-GFCCVEGCSA-N -1 1 396.455 2.441 20 0 GEADMM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821891232 606159037 /nfs/dbraw/zinc/15/90/37/606159037.db2.gz XQQWQTWTAHIJEL-AWEZNQCLSA-N -1 1 382.428 2.368 20 0 GEADMM COc1ccccc1[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821891232 606159039 /nfs/dbraw/zinc/15/90/39/606159039.db2.gz XQQWQTWTAHIJEL-AWEZNQCLSA-N -1 1 382.428 2.368 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)ccc1C ZINC000821667847 606163019 /nfs/dbraw/zinc/16/30/19/606163019.db2.gz CPBDWXJKTWSDGO-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM CN(Cc1csc(Br)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821616911 606168266 /nfs/dbraw/zinc/16/82/66/606168266.db2.gz NJOJKNAYFJJYOM-UHFFFAOYSA-N -1 1 397.262 2.088 20 0 GEADMM CN(Cc1csc(Br)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821616911 606168267 /nfs/dbraw/zinc/16/82/67/606168267.db2.gz NJOJKNAYFJJYOM-UHFFFAOYSA-N -1 1 397.262 2.088 20 0 GEADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821678088 606171234 /nfs/dbraw/zinc/17/12/34/606171234.db2.gz JMQIQCPDJWDBFL-ZANVPECISA-N -1 1 390.835 2.151 20 0 GEADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821678088 606171235 /nfs/dbraw/zinc/17/12/35/606171235.db2.gz JMQIQCPDJWDBFL-ZANVPECISA-N -1 1 390.835 2.151 20 0 GEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1-c1ccccc1F ZINC000822021362 606194892 /nfs/dbraw/zinc/19/48/92/606194892.db2.gz YDUBUTWYIWFDPG-UHFFFAOYSA-N -1 1 379.355 2.458 20 0 GEADMM CC(C)N1CC[C@H](Nc2ccccc2Oc2ncccc2-c2nn[n-]n2)C1=O ZINC000820128634 606246301 /nfs/dbraw/zinc/24/63/01/606246301.db2.gz RRBFMPCMNJGTRH-HNNXBMFYSA-N -1 1 379.424 2.475 20 0 GEADMM Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])ccc12 ZINC000822159844 606295440 /nfs/dbraw/zinc/29/54/40/606295440.db2.gz DWISFWBIPVRBRF-UHFFFAOYSA-N -1 1 393.359 2.005 20 0 GEADMM O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823118614 606295766 /nfs/dbraw/zinc/29/57/66/606295766.db2.gz IURBWCQBIPAPCI-UHFFFAOYSA-N -1 1 379.405 2.272 20 0 GEADMM Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822280242 606331401 /nfs/dbraw/zinc/33/14/01/606331401.db2.gz JCHKLPRSPVBGQZ-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821455819 606332598 /nfs/dbraw/zinc/33/25/98/606332598.db2.gz LXOJNOGVHPDSGQ-WDEREUQCSA-N -1 1 387.918 2.473 20 0 GEADMM CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821455819 606332599 /nfs/dbraw/zinc/33/25/99/606332599.db2.gz LXOJNOGVHPDSGQ-WDEREUQCSA-N -1 1 387.918 2.473 20 0 GEADMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=S)N1 ZINC000820633557 606394909 /nfs/dbraw/zinc/39/49/09/606394909.db2.gz CHLOFZJQBTWBIE-CQSZACIVSA-N -1 1 397.489 2.360 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1 ZINC000820633674 606395148 /nfs/dbraw/zinc/39/51/48/606395148.db2.gz CPJKNYQPNPYJKW-CQSZACIVSA-N -1 1 399.411 2.334 20 0 GEADMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2)n[nH]1 ZINC000822418871 606395521 /nfs/dbraw/zinc/39/55/21/606395521.db2.gz HLQWZOMGDHWZHM-UHFFFAOYSA-N -1 1 396.436 2.069 20 0 GEADMM C[C@@H]1CN=C(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)S1 ZINC000820804603 606468723 /nfs/dbraw/zinc/46/87/23/606468723.db2.gz VRHWYESMFDBGGM-GFCCVEGCSA-N -1 1 380.481 2.028 20 0 GEADMM COc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821828057 606508560 /nfs/dbraw/zinc/50/85/60/606508560.db2.gz ORWIVXMCMBAFNZ-UHFFFAOYSA-N -1 1 381.421 2.434 20 0 GEADMM COc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821828057 606508561 /nfs/dbraw/zinc/50/85/61/606508561.db2.gz ORWIVXMCMBAFNZ-UHFFFAOYSA-N -1 1 381.421 2.434 20 0 GEADMM O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823261903 606509580 /nfs/dbraw/zinc/50/95/80/606509580.db2.gz WKWMGJBIVAZSOU-UHFFFAOYSA-N -1 1 384.343 2.194 20 0 GEADMM O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823261903 606509583 /nfs/dbraw/zinc/50/95/83/606509583.db2.gz WKWMGJBIVAZSOU-UHFFFAOYSA-N -1 1 384.343 2.194 20 0 GEADMM CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821937936 606523455 /nfs/dbraw/zinc/52/34/55/606523455.db2.gz TYWJALDOPOACAW-UHFFFAOYSA-N -1 1 398.857 2.205 20 0 GEADMM CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821937936 606523457 /nfs/dbraw/zinc/52/34/57/606523457.db2.gz TYWJALDOPOACAW-UHFFFAOYSA-N -1 1 398.857 2.205 20 0 GEADMM Cc1oc(NC(=O)CN2CCc3c(F)ccc(F)c3C2)c(-c2nn[n-]n2)c1C ZINC000822548816 606525557 /nfs/dbraw/zinc/52/55/57/606525557.db2.gz OLXIRCPXMDDFQB-UHFFFAOYSA-N -1 1 388.378 2.352 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821016634 606540467 /nfs/dbraw/zinc/54/04/67/606540467.db2.gz YDZCFSLOKDVKFH-NEPJUHHUSA-N -1 1 376.486 2.085 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821016634 606540468 /nfs/dbraw/zinc/54/04/68/606540468.db2.gz YDZCFSLOKDVKFH-NEPJUHHUSA-N -1 1 376.486 2.085 20 0 GEADMM CCCCCC(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821043921 606540591 /nfs/dbraw/zinc/54/05/91/606540591.db2.gz VUBNGEPTVGGGKK-UHFFFAOYSA-N -1 1 376.486 2.229 20 0 GEADMM CCCCCC(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821043921 606540593 /nfs/dbraw/zinc/54/05/93/606540593.db2.gz VUBNGEPTVGGGKK-UHFFFAOYSA-N -1 1 376.486 2.229 20 0 GEADMM COc1cccc(N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC000821872793 606545738 /nfs/dbraw/zinc/54/57/38/606545738.db2.gz QMUWPUFNKZRQKN-GFCCVEGCSA-N -1 1 384.465 2.193 20 0 GEADMM COc1cccc(N2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC000821872793 606545740 /nfs/dbraw/zinc/54/57/40/606545740.db2.gz QMUWPUFNKZRQKN-GFCCVEGCSA-N -1 1 384.465 2.193 20 0 GEADMM COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000821860141 606550785 /nfs/dbraw/zinc/55/07/85/606550785.db2.gz XQKLVNHWXBKFHL-CYBMUJFWSA-N -1 1 398.492 2.456 20 0 GEADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cs1 ZINC000822439367 606553545 /nfs/dbraw/zinc/55/35/45/606553545.db2.gz AJSARNAAAWXCQJ-UHFFFAOYSA-N -1 1 389.510 2.041 20 0 GEADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cs1 ZINC000822439367 606553548 /nfs/dbraw/zinc/55/35/48/606553548.db2.gz AJSARNAAAWXCQJ-UHFFFAOYSA-N -1 1 389.510 2.041 20 0 GEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820562162 606582106 /nfs/dbraw/zinc/58/21/06/606582106.db2.gz DQWIUCZSGBBDGP-FORDYWAESA-N -1 1 375.479 2.499 20 0 GEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820562162 606582108 /nfs/dbraw/zinc/58/21/08/606582108.db2.gz DQWIUCZSGBBDGP-FORDYWAESA-N -1 1 375.479 2.499 20 0 GEADMM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823187226 606583322 /nfs/dbraw/zinc/58/33/22/606583322.db2.gz HDFLNSJPJJRGGU-UHFFFAOYSA-N -1 1 388.419 2.322 20 0 GEADMM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823187226 606583324 /nfs/dbraw/zinc/58/33/24/606583324.db2.gz HDFLNSJPJJRGGU-UHFFFAOYSA-N -1 1 388.419 2.322 20 0 GEADMM O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823224018 606595691 /nfs/dbraw/zinc/59/56/91/606595691.db2.gz PRLUPWKNEFNORI-UHFFFAOYSA-N -1 1 383.462 2.419 20 0 GEADMM O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823224018 606595692 /nfs/dbraw/zinc/59/56/92/606595692.db2.gz PRLUPWKNEFNORI-UHFFFAOYSA-N -1 1 383.462 2.419 20 0 GEADMM Clc1cccc(-c2nc3c(c(-n4cnc(-c5nn[n-]n5)n4)n2)CCCC3)c1 ZINC000822581425 606642986 /nfs/dbraw/zinc/64/29/86/606642986.db2.gz IEKZNGHBSHYNGX-UHFFFAOYSA-N -1 1 379.815 2.437 20 0 GEADMM Cc1cc(C)n(Cc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822198600 606647429 /nfs/dbraw/zinc/64/74/29/606647429.db2.gz BMRCWHDRRBDBSB-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM Cc1cc(C)n(Cc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822198600 606647430 /nfs/dbraw/zinc/64/74/30/606647430.db2.gz BMRCWHDRRBDBSB-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000820669000 606647885 /nfs/dbraw/zinc/64/78/85/606647885.db2.gz YJGRAOULCFPBNL-XHDPSFHLSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000820669000 606647886 /nfs/dbraw/zinc/64/78/86/606647886.db2.gz YJGRAOULCFPBNL-XHDPSFHLSA-N -1 1 378.392 2.213 20 0 GEADMM Cc1cc(C)n(-c2ccc(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822197821 606650302 /nfs/dbraw/zinc/65/03/02/606650302.db2.gz QJFSXHSIKDACFL-UHFFFAOYSA-N -1 1 389.419 2.350 20 0 GEADMM Cc1cc(C)n(-c2ccc(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822197821 606650303 /nfs/dbraw/zinc/65/03/03/606650303.db2.gz QJFSXHSIKDACFL-UHFFFAOYSA-N -1 1 389.419 2.350 20 0 GEADMM O=C(COc1ccc(Br)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823041330 606650545 /nfs/dbraw/zinc/65/05/45/606650545.db2.gz ZCWWWATXXNUUFM-UHFFFAOYSA-N -1 1 390.197 2.146 20 0 GEADMM O=C(COc1ccc(Br)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823041330 606650546 /nfs/dbraw/zinc/65/05/46/606650546.db2.gz ZCWWWATXXNUUFM-UHFFFAOYSA-N -1 1 390.197 2.146 20 0 GEADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819789438 606651430 /nfs/dbraw/zinc/65/14/30/606651430.db2.gz OOXDCQOQZIYALL-SFHVURJKSA-N -1 1 390.403 2.269 20 0 GEADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819789438 606651431 /nfs/dbraw/zinc/65/14/31/606651431.db2.gz OOXDCQOQZIYALL-SFHVURJKSA-N -1 1 390.403 2.269 20 0 GEADMM CC(C)=CC(=O)NCc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820005218 606651912 /nfs/dbraw/zinc/65/19/12/606651912.db2.gz NDEUBQSRQXSWJX-UHFFFAOYSA-N -1 1 392.419 2.201 20 0 GEADMM CC(C)=CC(=O)NCc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820005218 606651913 /nfs/dbraw/zinc/65/19/13/606651913.db2.gz NDEUBQSRQXSWJX-UHFFFAOYSA-N -1 1 392.419 2.201 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Br)cnc1Cl ZINC000823436127 606653773 /nfs/dbraw/zinc/65/37/73/606653773.db2.gz HXQBALNMWFHSON-UHFFFAOYSA-N -1 1 395.604 2.430 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Br)cnc1Cl ZINC000823436127 606653774 /nfs/dbraw/zinc/65/37/74/606653774.db2.gz HXQBALNMWFHSON-UHFFFAOYSA-N -1 1 395.604 2.430 20 0 GEADMM COc1cc(C)c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1OC ZINC000821708050 606684399 /nfs/dbraw/zinc/68/43/99/606684399.db2.gz JBUOCXVYDBZQHO-UHFFFAOYSA-N -1 1 385.428 2.396 20 0 GEADMM COc1cc(C)c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1OC ZINC000821708050 606684400 /nfs/dbraw/zinc/68/44/00/606684400.db2.gz JBUOCXVYDBZQHO-UHFFFAOYSA-N -1 1 385.428 2.396 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCc2nnc(C3CCCC3)o2)n1 ZINC000819971813 606733481 /nfs/dbraw/zinc/73/34/81/606733481.db2.gz SGEJOVHLOJONKB-UHFFFAOYSA-N -1 1 399.459 2.430 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCc2nnc(C3CCCC3)o2)n1 ZINC000819971813 606733484 /nfs/dbraw/zinc/73/34/84/606733484.db2.gz SGEJOVHLOJONKB-UHFFFAOYSA-N -1 1 399.459 2.430 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)C[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000822486395 606753757 /nfs/dbraw/zinc/75/37/57/606753757.db2.gz IMUKZZQSAUFRFM-OAHLLOKOSA-N -1 1 382.424 2.363 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H]1Cc2ccccc2O1 ZINC000822010032 606758743 /nfs/dbraw/zinc/75/87/43/606758743.db2.gz KTYMZNOFQOEQKV-CQSZACIVSA-N -1 1 395.419 2.064 20 0 GEADMM CCc1c[nH]c(SCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)n1 ZINC000821466006 606786680 /nfs/dbraw/zinc/78/66/80/606786680.db2.gz UJTFINUAMLYUBC-UHFFFAOYSA-N -1 1 395.452 2.069 20 0 GEADMM O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823218862 606805044 /nfs/dbraw/zinc/80/50/44/606805044.db2.gz ARQSBKRJGMZSNA-UHFFFAOYSA-N -1 1 385.236 2.439 20 0 GEADMM O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823218862 606805045 /nfs/dbraw/zinc/80/50/45/606805045.db2.gz ARQSBKRJGMZSNA-UHFFFAOYSA-N -1 1 385.236 2.439 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC1CCCCC1 ZINC000820778375 606823724 /nfs/dbraw/zinc/82/37/24/606823724.db2.gz WBTHHVBFMKSHHJ-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC1CCCCC1 ZINC000820778375 606823726 /nfs/dbraw/zinc/82/37/26/606823726.db2.gz WBTHHVBFMKSHHJ-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(=Cc3ccccc3F)CC2)n1 ZINC000822604849 606836784 /nfs/dbraw/zinc/83/67/84/606836784.db2.gz MZSUFMBIKYUCIE-UHFFFAOYSA-N -1 1 382.403 2.451 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(=Cc3ccccc3F)CC2)n1 ZINC000822604849 606836786 /nfs/dbraw/zinc/83/67/86/606836786.db2.gz MZSUFMBIKYUCIE-UHFFFAOYSA-N -1 1 382.403 2.451 20 0 GEADMM CN(CCCOc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821600520 606842025 /nfs/dbraw/zinc/84/20/25/606842025.db2.gz QKDYUZOVEDLLKR-UHFFFAOYSA-N -1 1 391.428 2.095 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2cc(F)ccc21 ZINC000823606149 606843435 /nfs/dbraw/zinc/84/34/35/606843435.db2.gz GCCPHKUKKGNMEV-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM CCS[C@H]1CCCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821457722 606843725 /nfs/dbraw/zinc/84/37/25/606843725.db2.gz ZUYXGPVMOAKIPT-LBPRGKRZSA-N -1 1 385.490 2.302 20 0 GEADMM CCCN(C)S(=O)(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821088583 607000496 /nfs/dbraw/zinc/00/04/96/607000496.db2.gz ORSACALOCZDQLN-UHFFFAOYSA-N -1 1 389.441 2.053 20 0 GEADMM O=C1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CN1C1CCCCC1 ZINC000823519860 607043603 /nfs/dbraw/zinc/04/36/03/607043603.db2.gz JLMDEEQMWORLPH-LBPRGKRZSA-N -1 1 378.440 2.155 20 0 GEADMM O=C1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CN1C1CCCCC1 ZINC000823519860 607043605 /nfs/dbraw/zinc/04/36/05/607043605.db2.gz JLMDEEQMWORLPH-LBPRGKRZSA-N -1 1 378.440 2.155 20 0 GEADMM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820535174 607109448 /nfs/dbraw/zinc/10/94/48/607109448.db2.gz OEPLDQZUXHBLIW-SSDOTTSWSA-N -1 1 395.242 2.492 20 0 GEADMM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820535174 607109450 /nfs/dbraw/zinc/10/94/50/607109450.db2.gz OEPLDQZUXHBLIW-SSDOTTSWSA-N -1 1 395.242 2.492 20 0 GEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000821728411 607122486 /nfs/dbraw/zinc/12/24/86/607122486.db2.gz WFDQIGNCQYFIHV-UHFFFAOYSA-N -1 1 395.828 2.338 20 0 GEADMM CCCC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000821028407 607153867 /nfs/dbraw/zinc/15/38/67/607153867.db2.gz VDQVIIUUTIFQFS-UHFFFAOYSA-N -1 1 397.439 2.344 20 0 GEADMM Cc1nc(C)c(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC000822427460 607168172 /nfs/dbraw/zinc/16/81/72/607168172.db2.gz OXUFNQLVMLVTBZ-UHFFFAOYSA-N -1 1 384.783 2.323 20 0 GEADMM CCC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000821023305 607212185 /nfs/dbraw/zinc/21/21/85/607212185.db2.gz XLQCMTASZZLXID-GFCCVEGCSA-N -1 1 395.254 2.423 20 0 GEADMM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821021737 607213555 /nfs/dbraw/zinc/21/35/55/607213555.db2.gz ONADJZIOLMUGAA-MRXNPFEDSA-N -1 1 382.472 2.108 20 0 GEADMM CCC(C)(C)OCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1C ZINC000820848565 607221383 /nfs/dbraw/zinc/22/13/83/607221383.db2.gz ZHLAJISUIUFINR-UHFFFAOYSA-N -1 1 384.444 2.111 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826341151 607825031 /nfs/dbraw/zinc/82/50/31/607825031.db2.gz YGOFOZKAVSZBHD-WQVCFCJDSA-N -1 1 394.435 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826341151 607825032 /nfs/dbraw/zinc/82/50/32/607825032.db2.gz YGOFOZKAVSZBHD-WQVCFCJDSA-N -1 1 394.435 2.246 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCC(c3ccccn3)CC2)cc1-c1nn[n-]n1 ZINC000826229838 607835706 /nfs/dbraw/zinc/83/57/06/607835706.db2.gz TXLCEHQNCRVEBS-UHFFFAOYSA-N -1 1 397.464 2.104 20 0 GEADMM CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824783996 607863153 /nfs/dbraw/zinc/86/31/53/607863153.db2.gz MAGQUNXPQRRCAC-UHFFFAOYSA-N -1 1 396.382 2.149 20 0 GEADMM CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824783996 607863154 /nfs/dbraw/zinc/86/31/54/607863154.db2.gz MAGQUNXPQRRCAC-UHFFFAOYSA-N -1 1 396.382 2.149 20 0 GEADMM COc1ccc(CN(C)C(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826192684 607864515 /nfs/dbraw/zinc/86/45/15/607864515.db2.gz WUDIAYGFDLEYKI-UHFFFAOYSA-N -1 1 389.362 2.191 20 0 GEADMM COc1ccc(CN(C)C(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826192684 607864516 /nfs/dbraw/zinc/86/45/16/607864516.db2.gz WUDIAYGFDLEYKI-UHFFFAOYSA-N -1 1 389.362 2.191 20 0 GEADMM CN(CCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825918903 607865065 /nfs/dbraw/zinc/86/50/65/607865065.db2.gz OEMOSXUEKAIQJN-UHFFFAOYSA-N -1 1 384.415 2.027 20 0 GEADMM CN(CCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825918903 607865066 /nfs/dbraw/zinc/86/50/66/607865066.db2.gz OEMOSXUEKAIQJN-UHFFFAOYSA-N -1 1 384.415 2.027 20 0 GEADMM COc1cc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826178460 607867773 /nfs/dbraw/zinc/86/77/73/607867773.db2.gz YYHHANSGIQXCMJ-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM COc1cc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826178460 607867774 /nfs/dbraw/zinc/86/77/74/607867774.db2.gz YYHHANSGIQXCMJ-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC000825902696 607897284 /nfs/dbraw/zinc/89/72/84/607897284.db2.gz YIQLRSBKPXZUBG-LLVKDONJSA-N -1 1 394.357 2.157 20 0 GEADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC000825902696 607897285 /nfs/dbraw/zinc/89/72/85/607897285.db2.gz YIQLRSBKPXZUBG-LLVKDONJSA-N -1 1 394.357 2.157 20 0 GEADMM O=C(NC[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1)Nc1ccccc1 ZINC000826435408 607903413 /nfs/dbraw/zinc/90/34/13/607903413.db2.gz NROLDQJWVBAPQM-HNNXBMFYSA-N -1 1 378.440 2.442 20 0 GEADMM O=C(NC[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC000826435408 607903414 /nfs/dbraw/zinc/90/34/14/607903414.db2.gz NROLDQJWVBAPQM-HNNXBMFYSA-N -1 1 378.440 2.442 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCSCC(C)C ZINC000826232993 607915598 /nfs/dbraw/zinc/91/55/98/607915598.db2.gz PUKJURBWIGBQFM-UHFFFAOYSA-N -1 1 392.529 2.412 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826495097 607974410 /nfs/dbraw/zinc/97/44/10/607974410.db2.gz CFMLQMYPWHSIEH-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCCN1C(=O)c1cccs1 ZINC000826451116 607997261 /nfs/dbraw/zinc/99/72/61/607997261.db2.gz QUQFPMIECIBIPX-CYBMUJFWSA-N -1 1 398.448 2.267 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000826357605 608005979 /nfs/dbraw/zinc/00/59/79/608005979.db2.gz LPFSRSQVQNFZIK-UHFFFAOYSA-N -1 1 388.391 2.105 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000826357605 608005980 /nfs/dbraw/zinc/00/59/80/608005980.db2.gz LPFSRSQVQNFZIK-UHFFFAOYSA-N -1 1 388.391 2.105 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000826425073 608013694 /nfs/dbraw/zinc/01/36/94/608013694.db2.gz ORCZADWGKPQUEC-UHFFFAOYSA-N -1 1 381.396 2.134 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000826425073 608013695 /nfs/dbraw/zinc/01/36/95/608013695.db2.gz ORCZADWGKPQUEC-UHFFFAOYSA-N -1 1 381.396 2.134 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccn1 ZINC000826219280 608030596 /nfs/dbraw/zinc/03/05/96/608030596.db2.gz XIAFOROVSZCRFJ-SFHVURJKSA-N -1 1 387.403 2.185 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccn1 ZINC000826219280 608030597 /nfs/dbraw/zinc/03/05/97/608030597.db2.gz XIAFOROVSZCRFJ-SFHVURJKSA-N -1 1 387.403 2.185 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(N2CCCC2=O)ccc1Cl ZINC000826467428 608030946 /nfs/dbraw/zinc/03/09/46/608030946.db2.gz VWFDMONGNBWRII-UHFFFAOYSA-N -1 1 398.810 2.399 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(N2CCCC2=O)ccc1Cl ZINC000826467428 608030947 /nfs/dbraw/zinc/03/09/47/608030947.db2.gz VWFDMONGNBWRII-UHFFFAOYSA-N -1 1 398.810 2.399 20 0 GEADMM COc1ccc(-c2nnc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)s2)cc1 ZINC000826181719 608101735 /nfs/dbraw/zinc/10/17/35/608101735.db2.gz LFFZHAJGJYMCCD-UHFFFAOYSA-N -1 1 380.393 2.041 20 0 GEADMM COc1ccc(-c2nnc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)s2)cc1 ZINC000826181719 608101736 /nfs/dbraw/zinc/10/17/36/608101736.db2.gz LFFZHAJGJYMCCD-UHFFFAOYSA-N -1 1 380.393 2.041 20 0 GEADMM C[C@H]1CCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824925487 608145404 /nfs/dbraw/zinc/14/54/04/608145404.db2.gz DDPFCGJCIUAPPT-STQMWFEESA-N -1 1 397.439 2.200 20 0 GEADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000826232051 608146302 /nfs/dbraw/zinc/14/63/02/608146302.db2.gz HTWHGXCJIHIMMW-ZDUSSCGKSA-N -1 1 393.451 2.184 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](CO)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826231596 608163363 /nfs/dbraw/zinc/16/33/63/608163363.db2.gz QVZDMCKCTQIMFY-NSHDSACASA-N -1 1 390.513 2.388 20 0 GEADMM Cc1cnc([C@@H](C)OC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)o1 ZINC000826317746 608171149 /nfs/dbraw/zinc/17/11/49/608171149.db2.gz MMAIEOPBCFFABD-GFCCVEGCSA-N -1 1 396.411 2.060 20 0 GEADMM Cc1cnc([C@@H](C)OC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)o1 ZINC000826317746 608171150 /nfs/dbraw/zinc/17/11/50/608171150.db2.gz MMAIEOPBCFFABD-GFCCVEGCSA-N -1 1 396.411 2.060 20 0 GEADMM CC(C)c1ccc([C@H]2CCCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000824348011 608180117 /nfs/dbraw/zinc/18/01/17/608180117.db2.gz WQXUYLYUKABSFV-MRXNPFEDSA-N -1 1 380.456 2.335 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824977908 608191498 /nfs/dbraw/zinc/19/14/98/608191498.db2.gz STKNVPJXGYFUSR-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824977908 608191500 /nfs/dbraw/zinc/19/15/00/608191500.db2.gz STKNVPJXGYFUSR-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824215304 608248612 /nfs/dbraw/zinc/24/86/12/608248612.db2.gz KKMUUOSNGTUARV-CMPLNLGQSA-N -1 1 385.877 2.002 20 0 GEADMM CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824215304 608248613 /nfs/dbraw/zinc/24/86/13/608248613.db2.gz KKMUUOSNGTUARV-CMPLNLGQSA-N -1 1 385.877 2.002 20 0 GEADMM FC(F)Oc1ccc([C@@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826369620 608259027 /nfs/dbraw/zinc/25/90/27/608259027.db2.gz KMHLCQFAJQMMOR-INIZCTEOSA-N -1 1 388.378 2.437 20 0 GEADMM CCC1(O)CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000825176249 608278510 /nfs/dbraw/zinc/27/85/10/608278510.db2.gz LZFPITCIBFDKGP-UHFFFAOYSA-N -1 1 384.440 2.372 20 0 GEADMM CCC1(O)CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000825176249 608278511 /nfs/dbraw/zinc/27/85/11/608278511.db2.gz LZFPITCIBFDKGP-UHFFFAOYSA-N -1 1 384.440 2.372 20 0 GEADMM CCCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000825323416 608308691 /nfs/dbraw/zinc/30/86/91/608308691.db2.gz VTAARCMJUICNLU-UHFFFAOYSA-N -1 1 377.408 2.203 20 0 GEADMM CCCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000825323416 608308693 /nfs/dbraw/zinc/30/86/93/608308693.db2.gz VTAARCMJUICNLU-UHFFFAOYSA-N -1 1 377.408 2.203 20 0 GEADMM CCc1c(C)nn(-c2cccc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2)c1C ZINC000825686898 608308944 /nfs/dbraw/zinc/30/89/44/608308944.db2.gz AYWAUWYEYAZAGH-UHFFFAOYSA-N -1 1 391.439 2.217 20 0 GEADMM CCc1c(C)nn(-c2cccc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2)c1C ZINC000825686898 608308946 /nfs/dbraw/zinc/30/89/46/608308946.db2.gz AYWAUWYEYAZAGH-UHFFFAOYSA-N -1 1 391.439 2.217 20 0 GEADMM C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824400529 608352562 /nfs/dbraw/zinc/35/25/62/608352562.db2.gz JAMRXFWUAJDPAF-NSHDSACASA-N -1 1 390.492 2.088 20 0 GEADMM C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824400529 608352564 /nfs/dbraw/zinc/35/25/64/608352564.db2.gz JAMRXFWUAJDPAF-NSHDSACASA-N -1 1 390.492 2.088 20 0 GEADMM CCCC[C@H](CCC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825261450 608355057 /nfs/dbraw/zinc/35/50/57/608355057.db2.gz ZWWIYLORMMAMPC-LBPRGKRZSA-N -1 1 390.492 2.232 20 0 GEADMM CCCC[C@H](CCC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825261450 608355058 /nfs/dbraw/zinc/35/50/58/608355058.db2.gz ZWWIYLORMMAMPC-LBPRGKRZSA-N -1 1 390.492 2.232 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826229421 608385812 /nfs/dbraw/zinc/38/58/12/608385812.db2.gz DGXCZTWXJMRKQN-ZETCQYMHSA-N -1 1 392.391 2.458 20 0 GEADMM COCCn1c2ccc(Cl)cc2nc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826164072 608390332 /nfs/dbraw/zinc/39/03/32/608390332.db2.gz XXQASFWDBILRJZ-UHFFFAOYSA-N -1 1 388.844 2.457 20 0 GEADMM COCCn1c2ccc(Cl)cc2nc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826164072 608390333 /nfs/dbraw/zinc/39/03/33/608390333.db2.gz XXQASFWDBILRJZ-UHFFFAOYSA-N -1 1 388.844 2.457 20 0 GEADMM c1csc(Cc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)n2C2CC2)c1 ZINC000826526659 608394763 /nfs/dbraw/zinc/39/47/63/608394763.db2.gz HNCHROJLAGZOLR-UHFFFAOYSA-N -1 1 383.466 2.387 20 0 GEADMM c1csc(Cc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)n2C2CC2)c1 ZINC000826526659 608394765 /nfs/dbraw/zinc/39/47/65/608394765.db2.gz HNCHROJLAGZOLR-UHFFFAOYSA-N -1 1 383.466 2.387 20 0 GEADMM c1cc2c(s1)CCN(c1ccc(Nc3ccc(-c4nnn[n-]4)nn3)cn1)C2 ZINC000826518785 608396299 /nfs/dbraw/zinc/39/62/99/608396299.db2.gz XRURTYIUQQZFBY-UHFFFAOYSA-N -1 1 377.437 2.420 20 0 GEADMM c1cc2c(s1)CCN(c1ccc(Nc3ccc(-c4nn[n-]n4)nn3)cn1)C2 ZINC000826518785 608396301 /nfs/dbraw/zinc/39/63/01/608396301.db2.gz XRURTYIUQQZFBY-UHFFFAOYSA-N -1 1 377.437 2.420 20 0 GEADMM CCOc1cc(CN(C)c2ccc(-c3nnn[n-]3)nn2)ccc1OC(F)F ZINC000825615741 608396864 /nfs/dbraw/zinc/39/68/64/608396864.db2.gz IURLDJRWAKRPIB-UHFFFAOYSA-N -1 1 377.355 2.293 20 0 GEADMM CCOc1cc(CN(C)c2ccc(-c3nn[n-]n3)nn2)ccc1OC(F)F ZINC000825615741 608396866 /nfs/dbraw/zinc/39/68/66/608396866.db2.gz IURLDJRWAKRPIB-UHFFFAOYSA-N -1 1 377.355 2.293 20 0 GEADMM CCn1cnnc1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000825804576 608407578 /nfs/dbraw/zinc/40/75/78/608407578.db2.gz DUSRZUSGTUNJAS-CYBMUJFWSA-N -1 1 375.440 2.410 20 0 GEADMM CCn1cnnc1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000825804576 608407579 /nfs/dbraw/zinc/40/75/79/608407579.db2.gz DUSRZUSGTUNJAS-CYBMUJFWSA-N -1 1 375.440 2.410 20 0 GEADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1Cl ZINC000826291013 608408608 /nfs/dbraw/zinc/40/86/08/608408608.db2.gz KZOOQJHDERWQKM-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1Cl ZINC000826291013 608408610 /nfs/dbraw/zinc/40/86/10/608408610.db2.gz KZOOQJHDERWQKM-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Fc1cccc(-c2noc([C@H]3CCCN(c4ccc(-c5nnn[n-]5)nn4)C3)n2)c1 ZINC000826376560 608410781 /nfs/dbraw/zinc/41/07/81/608410781.db2.gz JDIZCRJWORRDBJ-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1cccc(-c2noc([C@H]3CCCN(c4ccc(-c5nn[n-]n5)nn4)C3)n2)c1 ZINC000826376560 608410782 /nfs/dbraw/zinc/41/07/82/608410782.db2.gz JDIZCRJWORRDBJ-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM COc1cccc(Oc2ncccc2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826217644 608423729 /nfs/dbraw/zinc/42/37/29/608423729.db2.gz WIIFWZHJCFECBP-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM COc1cccc(Oc2ncccc2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826217644 608423730 /nfs/dbraw/zinc/42/37/30/608423730.db2.gz WIIFWZHJCFECBP-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM c1cc(OCc2noc(C3CC3)n2)ccc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826517548 608424239 /nfs/dbraw/zinc/42/42/39/608424239.db2.gz HOIADNVEMTZUMC-UHFFFAOYSA-N -1 1 377.368 2.240 20 0 GEADMM c1cc(OCc2noc(C3CC3)n2)ccc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826517548 608424240 /nfs/dbraw/zinc/42/42/40/608424240.db2.gz HOIADNVEMTZUMC-UHFFFAOYSA-N -1 1 377.368 2.240 20 0 GEADMM O[C@@]1(CN(Cc2ccccc2)c2ccc(-c3nnn[n-]3)nn2)CCc2ccccc21 ZINC000826506357 608438221 /nfs/dbraw/zinc/43/82/21/608438221.db2.gz SQBFZSLBOSESJD-JOCHJYFZSA-N -1 1 399.458 2.497 20 0 GEADMM O[C@@]1(CN(Cc2ccccc2)c2ccc(-c3nn[n-]n3)nn2)CCc2ccccc21 ZINC000826506357 608438222 /nfs/dbraw/zinc/43/82/22/608438222.db2.gz SQBFZSLBOSESJD-JOCHJYFZSA-N -1 1 399.458 2.497 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2cccc(F)c2C1 ZINC000826233001 608451746 /nfs/dbraw/zinc/45/17/46/608451746.db2.gz QBEGFRXEBKLOJT-UHFFFAOYSA-N -1 1 396.426 2.241 20 0 GEADMM Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1F ZINC000826282092 608517087 /nfs/dbraw/zinc/51/70/87/608517087.db2.gz XWNKSUBXKQPEAV-UHFFFAOYSA-N -1 1 386.456 2.334 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000825929558 608549547 /nfs/dbraw/zinc/54/95/47/608549547.db2.gz ICECUIUFIICNLG-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000825929558 608549548 /nfs/dbraw/zinc/54/95/48/608549548.db2.gz ICECUIUFIICNLG-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCC(c3cccnc3)CC2)cc1-c1nn[n-]n1 ZINC000826229918 608583539 /nfs/dbraw/zinc/58/35/39/608583539.db2.gz WSHVIQSCSJBBKF-UHFFFAOYSA-N -1 1 397.464 2.104 20 0 GEADMM c1nc(C2CC2)sc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826526720 608591205 /nfs/dbraw/zinc/59/12/05/608591205.db2.gz KDEMEXMCBPSGIK-UHFFFAOYSA-N -1 1 398.496 2.388 20 0 GEADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(F)c(F)c1 ZINC000826138393 608695538 /nfs/dbraw/zinc/69/55/38/608695538.db2.gz SNKYILIHQLXIJU-UHFFFAOYSA-N -1 1 379.392 2.382 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000824999643 608835265 /nfs/dbraw/zinc/83/52/65/608835265.db2.gz IRSBHYZMTRVRGZ-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000824999643 608835267 /nfs/dbraw/zinc/83/52/67/608835267.db2.gz IRSBHYZMTRVRGZ-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1csc2ccccc12 ZINC000825930057 609162403 /nfs/dbraw/zinc/16/24/03/609162403.db2.gz OVXVKVZTDHRADC-UHFFFAOYSA-N -1 1 397.468 2.483 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1csc2ccccc12 ZINC000825930057 609162404 /nfs/dbraw/zinc/16/24/04/609162404.db2.gz OVXVKVZTDHRADC-UHFFFAOYSA-N -1 1 397.468 2.483 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1-c1nn[n-]n1 ZINC000826229362 609172153 /nfs/dbraw/zinc/17/21/53/609172153.db2.gz BCLWBSUDUIUJCI-UHFFFAOYSA-N -1 1 397.342 2.355 20 0 GEADMM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCOCC1 ZINC000824045592 609286412 /nfs/dbraw/zinc/28/64/12/609286412.db2.gz MXOMIESHMSTKMZ-LLVKDONJSA-N -1 1 385.403 2.193 20 0 GEADMM Cc1cnc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)c1 ZINC000826317823 609287734 /nfs/dbraw/zinc/28/77/34/609287734.db2.gz OBBHQEBTUAATQB-UHFFFAOYSA-N -1 1 378.371 2.456 20 0 GEADMM CCc1nc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000825746091 609290696 /nfs/dbraw/zinc/29/06/96/609290696.db2.gz RJXVANPUTQVPLG-UHFFFAOYSA-N -1 1 398.427 2.392 20 0 GEADMM Cc1cc(C)cc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826264189 609303217 /nfs/dbraw/zinc/30/32/17/609303217.db2.gz FQMCWAYUBNSWMR-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1cc(C)cc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264189 609303219 /nfs/dbraw/zinc/30/32/19/609303219.db2.gz FQMCWAYUBNSWMR-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cc(C2CC2)[nH]n1 ZINC000826458309 609314386 /nfs/dbraw/zinc/31/43/86/609314386.db2.gz LBFSSLUEWSXAKA-UHFFFAOYSA-N -1 1 379.359 2.044 20 0 GEADMM Cn1nccc1N1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000446444493 649980719 /nfs/dbraw/zinc/98/07/19/649980719.db2.gz NATVANPHDMFKAT-GFCCVEGCSA-N -1 1 379.258 2.287 20 0 GEADMM CCC(CC)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000825106495 609332174 /nfs/dbraw/zinc/33/21/74/609332174.db2.gz DWMSHLJCYHOTSJ-ZFWWWQNUSA-N -1 1 397.476 2.268 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCCSC1 ZINC000826458258 609360088 /nfs/dbraw/zinc/36/00/88/609360088.db2.gz JOEOZMRVXYHJHN-JTQLQIEISA-N -1 1 388.432 2.209 20 0 GEADMM O=C(NCc1cccc(F)n1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826442881 609364412 /nfs/dbraw/zinc/36/44/12/609364412.db2.gz OCEUNKGLETWJFJ-UHFFFAOYSA-N -1 1 397.349 2.047 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](CO)c2ccccc2)c1-c1nn[n-]n1 ZINC000826231735 609388160 /nfs/dbraw/zinc/38/81/60/609388160.db2.gz XTKDFVNIVFPHNV-HNNXBMFYSA-N -1 1 396.476 2.324 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824641142 609398250 /nfs/dbraw/zinc/39/82/50/609398250.db2.gz SBEIVESHNMQJPQ-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824641142 609398251 /nfs/dbraw/zinc/39/82/51/609398251.db2.gz SBEIVESHNMQJPQ-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCO[C@@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000826231321 609403046 /nfs/dbraw/zinc/40/30/46/609403046.db2.gz GVRCIXHHACKNSY-CQSZACIVSA-N -1 1 388.497 2.358 20 0 GEADMM COC(=O)[C@H](Cc1ccc(F)cc1)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826103497 609485317 /nfs/dbraw/zinc/48/53/17/609485317.db2.gz IFHRPTKZLHMSKJ-ZDUSSCGKSA-N -1 1 388.428 2.289 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2cc(F)ccc2Br)n1 ZINC000826356849 609504375 /nfs/dbraw/zinc/50/43/75/609504375.db2.gz IHDQQXDPHOYTEJ-UHFFFAOYSA-N -1 1 394.208 2.073 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2cc(F)ccc2Br)n1 ZINC000826356849 609504376 /nfs/dbraw/zinc/50/43/76/609504376.db2.gz IHDQQXDPHOYTEJ-UHFFFAOYSA-N -1 1 394.208 2.073 20 0 GEADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC(C)(C)C1 ZINC000824865127 609592548 /nfs/dbraw/zinc/59/25/48/609592548.db2.gz HEMBKFSPTVGIFL-QLFBSQMISA-N -1 1 398.515 2.156 20 0 GEADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC(C)(C)C1 ZINC000824865127 609592549 /nfs/dbraw/zinc/59/25/49/609592549.db2.gz HEMBKFSPTVGIFL-QLFBSQMISA-N -1 1 398.515 2.156 20 0 GEADMM CCc1cnc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000825735347 609597016 /nfs/dbraw/zinc/59/70/16/609597016.db2.gz QSTMKRDRWMNCIR-UHFFFAOYSA-N -1 1 388.453 2.279 20 0 GEADMM O=C(NCCCOCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826436852 609607006 /nfs/dbraw/zinc/60/70/06/609607006.db2.gz LPJDROOCCNVHOP-UHFFFAOYSA-N -1 1 387.465 2.282 20 0 GEADMM O=C(NCCCOCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826436852 609607007 /nfs/dbraw/zinc/60/70/07/609607007.db2.gz LPJDROOCCNVHOP-UHFFFAOYSA-N -1 1 387.465 2.282 20 0 GEADMM CC/C(C)=C(\C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825053064 609639620 /nfs/dbraw/zinc/63/96/20/609639620.db2.gz ZRADRZUXSNPOOH-OUKQBFOZSA-N -1 1 395.423 2.281 20 0 GEADMM CC/C(C)=C(\C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825053064 609639623 /nfs/dbraw/zinc/63/96/23/609639623.db2.gz ZRADRZUXSNPOOH-OUKQBFOZSA-N -1 1 395.423 2.281 20 0 GEADMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000446999891 649992964 /nfs/dbraw/zinc/99/29/64/649992964.db2.gz HTDMGFJADKROQK-UHFFFAOYSA-N -1 1 393.408 2.492 20 0 GEADMM CCn1cccc(CNC(=O)c2ccc(I)c([O-])c2)c1=O ZINC000447617471 650007655 /nfs/dbraw/zinc/00/76/55/650007655.db2.gz CGIHRRVRDVFEHX-UHFFFAOYSA-N -1 1 398.200 2.108 20 0 GEADMM C[C@H]1CN(CCCNC(=O)N=c2nc(-c3ccsc3)[n-]s2)C[C@H](C)O1 ZINC000447999401 650012461 /nfs/dbraw/zinc/01/24/61/650012461.db2.gz MGVSAGCKUZQBGS-RYUDHWBXSA-N -1 1 381.527 2.309 20 0 GEADMM CCCn1ncnc1CS(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000448113245 650013350 /nfs/dbraw/zinc/01/33/50/650013350.db2.gz XAKKPXRVBWXUDC-UHFFFAOYSA-N -1 1 399.274 2.004 20 0 GEADMM CCCn1ncnc1CS(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000448113245 650013362 /nfs/dbraw/zinc/01/33/62/650013362.db2.gz XAKKPXRVBWXUDC-UHFFFAOYSA-N -1 1 399.274 2.004 20 0 GEADMM CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2[O-])CCN1C[C@@H](C)O ZINC000450024908 650058275 /nfs/dbraw/zinc/05/82/75/650058275.db2.gz IQALLVWARPVZIO-MNOVXSKESA-N -1 1 389.265 2.211 20 0 GEADMM O=C(CS(=O)(=O)C1CCCC1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450693909 650069251 /nfs/dbraw/zinc/06/92/51/650069251.db2.gz FQMYBFADRKIWNI-UHFFFAOYSA-N -1 1 384.845 2.127 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(S(C)(=O)=O)c1)c1ccccc1 ZINC000451095376 650085782 /nfs/dbraw/zinc/08/57/82/650085782.db2.gz KTSQEZYIIKOYBW-OAHLLOKOSA-N -1 1 387.454 2.359 20 0 GEADMM COc1cccc(N2C[C@H]([N-]S(=O)(=O)c3sccc3Cl)CC2=O)c1 ZINC000451153384 650090891 /nfs/dbraw/zinc/09/08/91/650090891.db2.gz HBRNOAXXZDJSHQ-SNVBAGLBSA-N -1 1 386.882 2.494 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C=CCCC2)c(F)c1 ZINC000451314268 650103022 /nfs/dbraw/zinc/10/30/22/650103022.db2.gz HQFXPBVOJJKZGX-GFCCVEGCSA-N -1 1 376.475 2.364 20 0 GEADMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000451654142 650129159 /nfs/dbraw/zinc/12/91/59/650129159.db2.gz OECQCLFIGONFKW-SNVBAGLBSA-N -1 1 392.724 2.230 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@](C)(CC)OC)c(F)c1 ZINC000451792567 650143443 /nfs/dbraw/zinc/14/34/43/650143443.db2.gz BPZIBXJDOUNDFO-HNNXBMFYSA-N -1 1 396.506 2.071 20 0 GEADMM CCN1C[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1=O ZINC000451860090 650148221 /nfs/dbraw/zinc/14/82/21/650148221.db2.gz AQRHVHWOIKOXDZ-ZCFIWIBFSA-N -1 1 387.708 2.063 20 0 GEADMM CC[C@H](NC(=O)c1cc(I)ccc1[O-])[C@H](O)C(F)F ZINC000452948557 650201351 /nfs/dbraw/zinc/20/13/51/650201351.db2.gz WROSWLDOCPCHAS-WPRPVWTQSA-N -1 1 385.148 2.131 20 0 GEADMM C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc(I)c([O-])c1 ZINC000456428482 650340202 /nfs/dbraw/zinc/34/02/02/650340202.db2.gz CDNWPNDASDBGCS-SECBINFHSA-N -1 1 385.205 2.091 20 0 GEADMM Cc1ccc(C[C@H](CO)CNC(=O)c2cncc([O-])c2)cc1Br ZINC000456481980 650342546 /nfs/dbraw/zinc/34/25/46/650342546.db2.gz FHWNOMQOFBLRSQ-ZDUSSCGKSA-N -1 1 379.254 2.439 20 0 GEADMM CC(C)OC(=O)[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000456608505 650351652 /nfs/dbraw/zinc/35/16/52/650351652.db2.gz CROHJHNLAWYAIM-QMMMGPOBSA-N -1 1 377.178 2.067 20 0 GEADMM COc1ccc(Br)cc1C[C@H](CO)CNC(=O)c1cncc([O-])c1 ZINC000456732532 650361262 /nfs/dbraw/zinc/36/12/62/650361262.db2.gz USXBIGUKXWJPND-NSHDSACASA-N -1 1 395.253 2.139 20 0 GEADMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)OC ZINC000500614370 650381462 /nfs/dbraw/zinc/38/14/62/650381462.db2.gz XQYSOUTUSZBBGA-PELKAZGASA-N -1 1 382.251 2.454 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)c1ccc(C)o1 ZINC000500936738 650385010 /nfs/dbraw/zinc/38/50/10/650385010.db2.gz SKXXMNKGCVAFDH-LBPRGKRZSA-N -1 1 384.845 2.259 20 0 GEADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC000460432721 650442533 /nfs/dbraw/zinc/44/25/33/650442533.db2.gz VLRVXNYDLIVHSI-UHFFFAOYSA-N -1 1 383.495 2.400 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2sccc2-n2cccc2)c1 ZINC000461450712 650454209 /nfs/dbraw/zinc/45/42/09/650454209.db2.gz ATKWBPHVKATGQT-UHFFFAOYSA-N -1 1 377.447 2.405 20 0 GEADMM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NCc1cnc[nH]1 ZINC000461455996 650454307 /nfs/dbraw/zinc/45/43/07/650454307.db2.gz HVJVGJDLZWKDON-UHFFFAOYSA-N -1 1 376.463 2.131 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cs2)c1 ZINC000461453127 650454339 /nfs/dbraw/zinc/45/43/39/650454339.db2.gz MSYSAOMKYPFONS-UHFFFAOYSA-N -1 1 391.268 2.377 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000461463563 650454614 /nfs/dbraw/zinc/45/46/14/650454614.db2.gz FGMHPNFEVYBLCD-UHFFFAOYSA-N -1 1 384.841 2.280 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)cc2)c1 ZINC000461462651 650454630 /nfs/dbraw/zinc/45/46/30/650454630.db2.gz GVLJDTXLTSETLO-UHFFFAOYSA-N -1 1 385.239 2.315 20 0 GEADMM CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)c1cncc([O-])c1 ZINC000507165358 650454830 /nfs/dbraw/zinc/45/48/30/650454830.db2.gz PHGHUEYGTGHPMI-UHFFFAOYSA-N -1 1 398.282 2.390 20 0 GEADMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508529308 650481792 /nfs/dbraw/zinc/48/17/92/650481792.db2.gz RSZICBUMZQZVCW-UHFFFAOYSA-N -1 1 398.264 2.400 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000508809250 650483102 /nfs/dbraw/zinc/48/31/02/650483102.db2.gz CHICSLGKPDTGCP-VIFPVBQESA-N -1 1 382.265 2.485 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1OCC(N)=O ZINC000509094720 650486633 /nfs/dbraw/zinc/48/66/33/650486633.db2.gz BUYZADYQBOXXHW-UHFFFAOYSA-N -1 1 382.463 2.082 20 0 GEADMM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)OC(C)(C)C ZINC000462684458 650488372 /nfs/dbraw/zinc/48/83/72/650488372.db2.gz GZCJKHDUCZHKJM-LLVKDONJSA-N -1 1 375.443 2.245 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC000509973749 650504816 /nfs/dbraw/zinc/50/48/16/650504816.db2.gz TVTOKCMNGMVNNT-SECBINFHSA-N -1 1 382.265 2.485 20 0 GEADMM CC(C)(NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Br)cc1 ZINC000510364472 650510820 /nfs/dbraw/zinc/51/08/20/650510820.db2.gz PMNBLQDPXNCZSQ-UHFFFAOYSA-N -1 1 392.253 2.331 20 0 GEADMM O=S(=O)([N-]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000511027016 650523819 /nfs/dbraw/zinc/52/38/19/650523819.db2.gz GXFOKPQXJSVJDE-LBPRGKRZSA-N -1 1 390.786 2.021 20 0 GEADMM O=S(=O)([N-]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000511056903 650524505 /nfs/dbraw/zinc/52/45/05/650524505.db2.gz FIISFODNQWJMJS-LLVKDONJSA-N -1 1 390.786 2.021 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)cc1 ZINC000475793986 650538954 /nfs/dbraw/zinc/53/89/54/650538954.db2.gz GPCZADLRMVOORJ-UHFFFAOYSA-N -1 1 384.479 2.103 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)[C@H]1CCCOC1 ZINC000512405436 650547668 /nfs/dbraw/zinc/54/76/68/650547668.db2.gz KSEIQZFHDOXZPQ-XHDPSFHLSA-N -1 1 393.864 2.257 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)COc2ccc(Cl)c3ccccc23)n1 ZINC000512575614 650550787 /nfs/dbraw/zinc/55/07/87/650550787.db2.gz AATSKLCBTXZKFX-UHFFFAOYSA-N -1 1 380.813 2.032 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)COc2ccc(Cl)c3ccccc23)[n-]1 ZINC000512575614 650550790 /nfs/dbraw/zinc/55/07/90/650550790.db2.gz AATSKLCBTXZKFX-UHFFFAOYSA-N -1 1 380.813 2.032 20 0 GEADMM O=C(N=c1cc2ccc(Br)cn2[nH]1)c1csc(=NC2CC2)[n-]1 ZINC000513751582 650568597 /nfs/dbraw/zinc/56/85/97/650568597.db2.gz FYNDYZAUJFLJTR-UHFFFAOYSA-N -1 1 378.255 2.224 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc2c1OCCO2 ZINC000513818179 650569439 /nfs/dbraw/zinc/56/94/39/650569439.db2.gz XLRCOCNMPUXTEL-UHFFFAOYSA-N -1 1 385.781 2.316 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513828477 650569686 /nfs/dbraw/zinc/56/96/86/650569686.db2.gz KRARAGMGFNQTIY-UHFFFAOYSA-N -1 1 392.135 2.280 20 0 GEADMM 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650646888 /nfs/dbraw/zinc/64/68/88/650646888.db2.gz GEPULQAFTLYGSR-NSHDSACASA-N -1 1 394.232 2.385 20 0 GEADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481892408 650655851 /nfs/dbraw/zinc/65/58/51/650655851.db2.gz RUSTXWTVRDFXHR-UHFFFAOYSA-N -1 1 387.866 2.479 20 0 GEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1 ZINC000481971029 650657219 /nfs/dbraw/zinc/65/72/19/650657219.db2.gz JMRXSPXQYOHWKF-UHFFFAOYSA-N -1 1 381.841 2.459 20 0 GEADMM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000485935760 650702955 /nfs/dbraw/zinc/70/29/55/650702955.db2.gz AWIKMLGWTNJRDO-RKDXNWHRSA-N -1 1 390.310 2.154 20 0 GEADMM CC(C)O[C@@]1(C)C[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000529967967 650710182 /nfs/dbraw/zinc/71/01/82/650710182.db2.gz YAFUACXJNOPSRO-DOMZBBRYSA-N -1 1 395.308 2.344 20 0 GEADMM CC[C@H]1C(=O)NCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486312915 650711391 /nfs/dbraw/zinc/71/13/91/650711391.db2.gz ARWCDLIFDJMGDB-NSHDSACASA-N -1 1 378.226 2.054 20 0 GEADMM NC(=O)c1cc(NC(=O)c2c([O-])cnc3c(Br)cccc32)c[nH]1 ZINC000486727805 650720183 /nfs/dbraw/zinc/72/01/83/650720183.db2.gz GDGHXGUCZNTGNJ-UHFFFAOYSA-N -1 1 375.182 2.382 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530541145 650725969 /nfs/dbraw/zinc/72/59/69/650725969.db2.gz ZQRQGEVELHLXCN-JTQLQIEISA-N -1 1 399.271 2.350 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCOCC2)sc1C ZINC000531302463 650736476 /nfs/dbraw/zinc/73/64/76/650736476.db2.gz PRQFCVYYUFHBRB-MRXNPFEDSA-N -1 1 381.523 2.112 20 0 GEADMM O=C([N-]NS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000007386225 642338679 /nfs/dbraw/zinc/33/86/79/642338679.db2.gz XHJGTGAKCGAOIJ-CMDGGOBGSA-N -1 1 381.797 2.483 20 0 GEADMM Cc1cc(C)c(CNC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c(=O)[nH]1 ZINC000010459282 642359792 /nfs/dbraw/zinc/35/97/92/642359792.db2.gz PCQVICKKEJXHTC-UHFFFAOYSA-N -1 1 375.479 2.291 20 0 GEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(Br)o2)cc1 ZINC000010802491 642363006 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CCCS(=O)(=O)Nc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000102752089 643135268 /nfs/dbraw/zinc/13/52/68/643135268.db2.gz PPEPMHAFCMVKNT-UHFFFAOYSA-N -1 1 377.348 2.228 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1-n1nnnc1C ZINC000102913939 643145747 /nfs/dbraw/zinc/14/57/47/643145747.db2.gz LNIUZENJYHRLQR-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM Cc1ccc(-c2nc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cs2)o1 ZINC000537850488 650824821 /nfs/dbraw/zinc/82/48/21/650824821.db2.gz QNEOYVZEAJTTMU-UHFFFAOYSA-N -1 1 379.419 2.317 20 0 GEADMM CCN(CC)S(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000106895050 643244351 /nfs/dbraw/zinc/24/43/51/643244351.db2.gz PUHXNEWVWUEZAZ-UHFFFAOYSA-N -1 1 395.355 2.005 20 0 GEADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000109376718 643295503 /nfs/dbraw/zinc/29/55/03/643295503.db2.gz CVAUAKOTCVPFLY-UHFFFAOYSA-N -1 1 376.459 2.429 20 0 GEADMM COc1cc(Br)c([N-]S(=O)(=O)c2c[nH]nc2C)cc1OC ZINC000110589244 643314503 /nfs/dbraw/zinc/31/45/03/643314503.db2.gz 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643684169 /nfs/dbraw/zinc/68/41/69/643684169.db2.gz DPGYDNZJNZDLQP-UHFFFAOYSA-N -1 1 395.188 2.027 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000125843448 643713329 /nfs/dbraw/zinc/71/33/29/643713329.db2.gz ZMFDLJOWHSSOHR-SKDRFNHKSA-N -1 1 386.823 2.356 20 0 GEADMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000130136070 643830481 /nfs/dbraw/zinc/83/04/81/643830481.db2.gz VEIBMCOOLTYCBV-UHFFFAOYSA-N -1 1 399.266 2.489 20 0 GEADMM CN(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000130321555 643834931 /nfs/dbraw/zinc/83/49/31/643834931.db2.gz UJORXRXRGZMSAB-UHFFFAOYSA-N -1 1 380.491 2.372 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2nccs2)c2ccccc2)co1 ZINC000130864739 643853041 /nfs/dbraw/zinc/85/30/41/643853041.db2.gz DSZZQLWDSDASEG-AWEZNQCLSA-N -1 1 377.447 2.164 20 0 GEADMM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000131594731 643874396 /nfs/dbraw/zinc/87/43/96/643874396.db2.gz XEKXBRBJWGXYKJ-UHFFFAOYSA-N -1 1 375.223 2.300 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)o1 ZINC000541762960 650879782 /nfs/dbraw/zinc/87/97/82/650879782.db2.gz UBABWHOZWBGRIS-LLVKDONJSA-N -1 1 391.804 2.261 20 0 GEADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2F)c1 ZINC000151892098 643959312 /nfs/dbraw/zinc/95/93/12/643959312.db2.gz QLXQCTYOORJCCU-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM Cn1cc(N2CCC[C@H](NC(=O)c3cc(Br)ccc3[O-])C2)cn1 ZINC000154235911 644027550 /nfs/dbraw/zinc/02/75/50/644027550.db2.gz LUAKVHKIWIFJTN-LBPRGKRZSA-N -1 1 379.258 2.287 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1 ZINC000542008842 650885679 /nfs/dbraw/zinc/88/56/79/650885679.db2.gz UIHQGHREXJQFDQ-XMMPIXPASA-N -1 1 385.438 2.292 20 0 GEADMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1F ZINC000542235295 650889043 /nfs/dbraw/zinc/88/90/43/650889043.db2.gz ALRURFKARMJDGK-UHFFFAOYSA-N -1 1 383.405 2.463 20 0 GEADMM COc1cc(Br)ccc1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000543016260 650897446 /nfs/dbraw/zinc/89/74/46/650897446.db2.gz KMZHQTFPGVLMAV-LBPRGKRZSA-N -1 1 394.273 2.310 20 0 GEADMM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160100271 644197786 /nfs/dbraw/zinc/19/77/86/644197786.db2.gz KUMPTOOCGRXOLU-LURJTMIESA-N -1 1 388.642 2.472 20 0 GEADMM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1 ZINC000161588075 644213469 /nfs/dbraw/zinc/21/34/69/644213469.db2.gz OGECBYBNIZRKDI-UHFFFAOYSA-N -1 1 379.829 2.243 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2Br)co1 ZINC000163308971 644253439 /nfs/dbraw/zinc/25/34/39/644253439.db2.gz TXBSCGWAQFXALZ-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM O=S(=O)([N-]Cc1nncn1-c1ccccc1)c1ccc(Cl)nc1Cl ZINC000170661051 644284945 /nfs/dbraw/zinc/28/49/45/644284945.db2.gz PIOMIACGBSFROE-UHFFFAOYSA-N -1 1 384.248 2.448 20 0 GEADMM CC(C)COC[C@H](O)CNC(=O)CCn1c(-c2cccs2)n[n-]c1=S ZINC000176798016 644405686 /nfs/dbraw/zinc/40/56/86/644405686.db2.gz JHFPTQMDXSAFGY-GFCCVEGCSA-N -1 1 384.527 2.209 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]2CCCC[C@@H]12 ZINC000543911670 650927646 /nfs/dbraw/zinc/92/76/46/650927646.db2.gz AUBVSLIBTBCOIL-ZLDLUXBVSA-N -1 1 390.502 2.396 20 0 GEADMM CCOc1cc(Br)ccc1NC(=O)N[N-]C(=O)c1cc(C)[nH]n1 ZINC000183211756 644987009 /nfs/dbraw/zinc/98/70/09/644987009.db2.gz HXYFIIXBMSZGNP-UHFFFAOYSA-N -1 1 382.218 2.346 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c21)c1ccsc1 ZINC000184254891 645013360 /nfs/dbraw/zinc/01/33/60/645013360.db2.gz AENKHRNAAJNWBW-GFCCVEGCSA-N -1 1 385.854 2.470 20 0 GEADMM CN(C)CCN(C1CCCC1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000185112896 645035145 /nfs/dbraw/zinc/03/51/45/645035145.db2.gz MLFPIFBWRNQCGU-UHFFFAOYSA-N -1 1 376.425 2.158 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)c1nc2ccccc2n1C ZINC000185127501 645035876 /nfs/dbraw/zinc/03/58/76/645035876.db2.gz IMEKAFXYAYOPKU-UHFFFAOYSA-N -1 1 381.889 2.482 20 0 GEADMM CCC[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)OC ZINC000545499846 650977218 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COc1cc[n-]c(=NNS(=O)(=O)c2cc(Br)c(F)cc2C)n1 ZINC000189247971 645134965 /nfs/dbraw/zinc/13/49/65/645134965.db2.gz HUJHTHIKVVCRQI-UHFFFAOYSA-N -1 1 391.222 2.001 20 0 GEADMM COC(=O)c1cccc2nc(NC(=O)c3cc(Br)nn3C)[nH]c21 ZINC000190451947 645156935 /nfs/dbraw/zinc/15/69/35/645156935.db2.gz OWHFMWKVKBOBFT-UHFFFAOYSA-N -1 1 378.186 2.098 20 0 GEADMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000193333388 645268066 /nfs/dbraw/zinc/26/80/66/645268066.db2.gz HENPMZJDTYWCQL-UHFFFAOYSA-N -1 1 392.662 2.305 20 0 GEADMM CC[C@@](NC(=O)c1ccc(I)c([O-])c1)(C(N)=O)C(C)C ZINC000546209079 650995683 /nfs/dbraw/zinc/99/56/83/650995683.db2.gz UEYWLPHKYMOUIY-AWEZNQCLSA-N -1 1 390.221 2.017 20 0 GEADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCCOC(F)F ZINC000193962922 645306253 /nfs/dbraw/zinc/30/62/53/645306253.db2.gz DNOSZCLVZOAWTB-UHFFFAOYSA-N -1 1 389.174 2.265 20 0 GEADMM O=C1[C@H](Sc2nc([O-])cc(=O)n2C2CCCC2)CCN1CC(F)(F)F ZINC000195023694 645355232 /nfs/dbraw/zinc/35/52/32/645355232.db2.gz IMFPZHOCPVTNCQ-SNVBAGLBSA-N -1 1 377.388 2.319 20 0 GEADMM CC(C)CN(C(=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1)C(C)C ZINC000195157010 645358345 /nfs/dbraw/zinc/35/83/45/645358345.db2.gz BMTBCPWZNUAQAD-UHFFFAOYSA-N -1 1 384.527 2.124 20 0 GEADMM CC(C)CN(C(=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1)C(C)C ZINC000195157010 645358354 /nfs/dbraw/zinc/35/83/54/645358354.db2.gz BMTBCPWZNUAQAD-UHFFFAOYSA-N -1 1 384.527 2.124 20 0 GEADMM COc1ccc(-c2nnc(S(=O)(=O)Cc3ccon3)[n-]2)cc1Br ZINC000195223939 645364337 /nfs/dbraw/zinc/36/43/37/645364337.db2.gz MVXGJFJGEAXFHK-UHFFFAOYSA-N -1 1 399.226 2.205 20 0 GEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3ccon3)n[n-]2)cc1Br ZINC000195223939 645364340 /nfs/dbraw/zinc/36/43/40/645364340.db2.gz MVXGJFJGEAXFHK-UHFFFAOYSA-N -1 1 399.226 2.205 20 0 GEADMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000195262738 645367630 /nfs/dbraw/zinc/36/76/30/645367630.db2.gz JLIKRWGYFXLSSR-UHFFFAOYSA-N -1 1 376.360 2.041 20 0 GEADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc(I)c([O-])c1 ZINC000230896398 645402211 /nfs/dbraw/zinc/40/22/11/645402211.db2.gz MSMABQNWJCRESU-KOLCDFICSA-N -1 1 375.206 2.278 20 0 GEADMM CN(C(=O)c1cc(I)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000234299719 645406435 /nfs/dbraw/zinc/40/64/35/645406435.db2.gz GMLPJIQRMNLBMT-DGCLKSJQSA-N -1 1 375.206 2.372 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCCCC[C@H]1CO ZINC000236501298 645411046 /nfs/dbraw/zinc/41/10/46/645411046.db2.gz VEHXCQHXNJMYSM-NSHDSACASA-N -1 1 375.206 2.374 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c1Cl ZINC000245651722 645464512 /nfs/dbraw/zinc/46/45/12/645464512.db2.gz DSZWSABFYSSNJE-OLZOCXBDSA-N -1 1 390.843 2.075 20 0 GEADMM C[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)[C@@H]1CO ZINC000546921912 651014601 /nfs/dbraw/zinc/01/46/01/651014601.db2.gz XVNQWDROPDMCOB-BXKDBHETSA-N -1 1 375.206 2.230 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(I)c1)N(C)CCC(=O)[O-] ZINC000262602296 645639745 /nfs/dbraw/zinc/63/97/45/645639745.db2.gz ABQPAAYRISDQRB-VIFPVBQESA-N -1 1 376.194 2.025 20 0 GEADMM 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GEADMM O=C([C@H]1CCc2cc(Br)ccc21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000567961426 651641757 /nfs/dbraw/zinc/64/17/57/651641757.db2.gz NMBZGLXVAJMCRA-RISCZKNCSA-N -1 1 376.258 2.398 20 0 GEADMM COCCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2Br)cc1C ZINC000568002297 651644305 /nfs/dbraw/zinc/64/43/05/651644305.db2.gz XZORWOIAIQKVLL-UHFFFAOYSA-N -1 1 390.259 2.307 20 0 GEADMM CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1c[n-]nc1C ZINC000732215844 651648381 /nfs/dbraw/zinc/64/83/81/651648381.db2.gz YSXMFVZNMSPSQY-UHFFFAOYSA-N -1 1 389.227 2.460 20 0 GEADMM CSc1cc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)ccn1 ZINC000611231536 651714722 /nfs/dbraw/zinc/71/47/22/651714722.db2.gz UXGMEGVXGPNKTB-UHFFFAOYSA-N -1 1 391.471 2.115 20 0 GEADMM COCCS(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000569775765 651723155 /nfs/dbraw/zinc/72/31/55/651723155.db2.gz QUGMZCOBTDBFPH-UHFFFAOYSA-N -1 1 389.520 2.153 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)o1 ZINC000569891566 651732022 /nfs/dbraw/zinc/73/20/22/651732022.db2.gz ODDYARWAECXXBK-INIZCTEOSA-N -1 1 385.463 2.284 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C2CC2)c(F)cc1Br ZINC000734490701 651747059 /nfs/dbraw/zinc/74/70/59/651747059.db2.gz LXTORBTVWZDJAN-ZETCQYMHSA-N -1 1 380.235 2.452 20 0 GEADMM Cn1ccnc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCO1 ZINC000570280266 651757635 /nfs/dbraw/zinc/75/76/35/651757635.db2.gz UDUYIDKPSKTEOH-GXSJLCMTSA-N -1 1 375.372 2.036 20 0 GEADMM CCCCCN(CCO)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000570441651 651767871 /nfs/dbraw/zinc/76/78/71/651767871.db2.gz YSGQHGXYZDDJGW-UHFFFAOYSA-N -1 1 397.324 2.283 20 0 GEADMM COC(=O)[C@H](NC(=O)c1ccc(I)c([O-])c1)C(C)(C)C ZINC000612829059 651772327 /nfs/dbraw/zinc/77/23/27/651772327.db2.gz SHMVXRNSBIXISK-NSHDSACASA-N -1 1 391.205 2.314 20 0 GEADMM CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1nnn[n-]1 ZINC000735821301 651798515 /nfs/dbraw/zinc/79/85/15/651798515.db2.gz XAEHCSBWSJWOHJ-UHFFFAOYSA-N -1 1 391.185 2.084 20 0 GEADMM CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1nn[n-]n1 ZINC000735821301 651798517 /nfs/dbraw/zinc/79/85/17/651798517.db2.gz XAEHCSBWSJWOHJ-UHFFFAOYSA-N -1 1 391.185 2.084 20 0 GEADMM Cn1nc2cc(Br)ccc2c1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000648788329 651803046 /nfs/dbraw/zinc/80/30/46/651803046.db2.gz ALJBDDMUVNLIAX-UHFFFAOYSA-N -1 1 390.245 2.048 20 0 GEADMM O=c1cc(C(F)(F)F)nc(SC[C@@H]2CN=C(N3CCOCC3)S2)[n-]1 ZINC000735979585 651805734 /nfs/dbraw/zinc/80/57/34/651805734.db2.gz HNXOMQPKOVFAPS-QMMMGPOBSA-N -1 1 380.417 2.097 20 0 GEADMM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000649146195 651817703 /nfs/dbraw/zinc/81/77/03/651817703.db2.gz KNJYEICHJYKRMO-AWEZNQCLSA-N -1 1 380.750 2.195 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])cn1 ZINC000614326117 651821509 /nfs/dbraw/zinc/82/15/09/651821509.db2.gz UFWIJPIANJHINL-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM O=C(NC1CCS(=O)CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000571336178 651826677 /nfs/dbraw/zinc/82/66/77/651826677.db2.gz HNXRTOANLCFFDB-UHFFFAOYSA-N -1 1 383.267 2.344 20 0 GEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 ZINC000614729808 651835015 /nfs/dbraw/zinc/83/50/15/651835015.db2.gz IUHTYRFWMJUQLT-UHFFFAOYSA-N -1 1 382.463 2.158 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)c(F)c1 ZINC000649870450 651835649 /nfs/dbraw/zinc/83/56/49/651835649.db2.gz XTKNXQROUNDQFZ-NSHDSACASA-N -1 1 378.491 2.444 20 0 GEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000615221284 651856674 /nfs/dbraw/zinc/85/66/74/651856674.db2.gz KPJOQCXIMRCAQR-GFCCVEGCSA-N -1 1 393.241 2.316 20 0 GEADMM C[C@@H]1CC[C@H](C(=O)[O-])N1CCS(=O)(=O)c1cccc(Br)c1 ZINC000650501850 651862407 /nfs/dbraw/zinc/86/24/07/651862407.db2.gz XJLQUIHUDKMIIL-ZWNOBZJWSA-N -1 1 376.272 2.160 20 0 GEADMM O=C(CCSc1ccc(Br)cc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737850311 651864151 /nfs/dbraw/zinc/86/41/51/651864151.db2.gz RFDHMBUXSMMPID-GFCCVEGCSA-N -1 1 398.286 2.045 20 0 GEADMM O=C(Nc1ccc(I)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC000738175672 651883315 /nfs/dbraw/zinc/88/33/15/651883315.db2.gz ZJNLPZRLYHAUIM-UHFFFAOYSA-N -1 1 398.208 2.216 20 0 GEADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)c2ccc(Br)cc2)n[n-]1 ZINC000615919126 651884621 /nfs/dbraw/zinc/88/46/21/651884621.db2.gz AKLCYVQMHNUGGR-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)c2ccc(Br)cc2)n1 ZINC000615919126 651884624 /nfs/dbraw/zinc/88/46/24/651884624.db2.gz AKLCYVQMHNUGGR-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738284430 651889521 /nfs/dbraw/zinc/88/95/21/651889521.db2.gz TVKZLJJYCBODFJ-QMMMGPOBSA-N -1 1 382.858 2.252 20 0 GEADMM Cn1cc([C@@H]2OCC[C@H]2C[N-]S(=O)(=O)c2nc3ccccc3s2)cn1 ZINC000572398965 651889728 /nfs/dbraw/zinc/88/97/28/651889728.db2.gz KNGQBLFDYLDXLG-XHDPSFHLSA-N -1 1 378.479 2.086 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CCCCCS(N)(=O)=O)c1 ZINC000573378797 651951231 /nfs/dbraw/zinc/95/12/31/651951231.db2.gz WHTRJELXKOPJAA-UHFFFAOYSA-N -1 1 379.276 2.251 20 0 GEADMM Cn1cnnc1CCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000655099231 651978433 /nfs/dbraw/zinc/97/84/33/651978433.db2.gz BBAVZXKRTXFQOC-UHFFFAOYSA-N -1 1 390.241 2.194 20 0 GEADMM O=C([O-])[C@H](NS(=O)(=O)CCN1CCCC1)c1ccc(Cl)cc1Cl ZINC000573799348 651979228 /nfs/dbraw/zinc/97/92/28/651979228.db2.gz LMLIDVGNSZMADV-CYBMUJFWSA-N -1 1 381.281 2.134 20 0 GEADMM CC(C)CCOc1ccccc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000655587174 651993296 /nfs/dbraw/zinc/99/32/96/651993296.db2.gz OHVMHOXQGLQURK-UHFFFAOYSA-N -1 1 392.543 2.135 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F)[C@@H]1CCOC1 ZINC000656732700 652053279 /nfs/dbraw/zinc/05/32/79/652053279.db2.gz YZPLNPUXYAWSJG-SKDRFNHKSA-N -1 1 381.372 2.100 20 0 GEADMM Cc1cc(Br)c(N)c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000745059183 652068668 /nfs/dbraw/zinc/06/86/68/652068668.db2.gz WTXFLLMOQMEKRF-UHFFFAOYSA-N -1 1 391.221 2.453 20 0 GEADMM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656966073 652077078 /nfs/dbraw/zinc/07/70/78/652077078.db2.gz ACDIIEAVYXEDJK-CQSZACIVSA-N -1 1 377.304 2.454 20 0 GEADMM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1ncccc1Br ZINC000656974420 652081449 /nfs/dbraw/zinc/08/14/49/652081449.db2.gz FPYPORZLURLMTB-UHFFFAOYSA-N -1 1 375.288 2.065 20 0 GEADMM COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1N ZINC000619855561 652081811 /nfs/dbraw/zinc/08/18/11/652081811.db2.gz IODYPRYACZXVTN-UHFFFAOYSA-N -1 1 384.797 2.208 20 0 GEADMM O=C(c1ccc(Br)c([O-])c1)N(CCN1CCOCC1)CC1CC1 ZINC000619883740 652082939 /nfs/dbraw/zinc/08/29/39/652082939.db2.gz VPMLUQMNDZIOBZ-UHFFFAOYSA-N -1 1 383.286 2.339 20 0 GEADMM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(C)C ZINC000657002872 652083635 /nfs/dbraw/zinc/08/36/35/652083635.db2.gz PYJLZLQKLNFACT-DGCLKSJQSA-N -1 1 379.320 2.412 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1sccc1Br)C1CCOCC1 ZINC000657059309 652096619 /nfs/dbraw/zinc/09/66/19/652096619.db2.gz DLJSSWZNNFOBQI-NSHDSACASA-N -1 1 384.317 2.231 20 0 GEADMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000576244027 652099504 /nfs/dbraw/zinc/09/95/04/652099504.db2.gz CJRLJICWUQGEHV-KRTXAFLBSA-N -1 1 379.335 2.379 20 0 GEADMM CCn1cc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)nn1 ZINC000657120375 652120047 /nfs/dbraw/zinc/12/00/47/652120047.db2.gz ADKDTCHXEKLSFC-UHFFFAOYSA-N -1 1 385.696 2.254 20 0 GEADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(I)cc1F ZINC000576528780 652125062 /nfs/dbraw/zinc/12/50/62/652125062.db2.gz ISPULUZLWBOGTJ-SECBINFHSA-N -1 1 385.198 2.351 20 0 GEADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CS1(=O)=O ZINC000657136939 652128118 /nfs/dbraw/zinc/12/81/18/652128118.db2.gz IBPNKXFFEGGYJK-CBAPKCEASA-N -1 1 390.285 2.377 20 0 GEADMM NS(=O)(=O)c1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)s1 ZINC000746933192 652128682 /nfs/dbraw/zinc/12/86/82/652128682.db2.gz ZPSBAWHTSMPXLD-UHFFFAOYSA-N -1 1 394.396 2.205 20 0 GEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCc4cc(Br)ccc43)nc2n1 ZINC000622870187 652205015 /nfs/dbraw/zinc/20/50/15/652205015.db2.gz UCSRLJHVLIIFMF-GFCCVEGCSA-N -1 1 388.225 2.157 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2cccc3c2CCCC3)cccc1S(N)(=O)=O ZINC000748640850 652208322 /nfs/dbraw/zinc/20/83/22/652208322.db2.gz VWGVQCMWLYFZOS-UHFFFAOYSA-N -1 1 380.491 2.322 20 0 GEADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748641282 652208428 /nfs/dbraw/zinc/20/84/28/652208428.db2.gz ICEDUXXIYWGQMV-UHFFFAOYSA-N -1 1 380.491 2.155 20 0 GEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3SCCc4sccc43)nc2n1 ZINC000622996307 652212909 /nfs/dbraw/zinc/21/29/09/652212909.db2.gz JZZZZUBTQBJCFN-CYBMUJFWSA-N -1 1 375.479 2.401 20 0 GEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCSC(F)(F)F)c1F ZINC000749175265 652238403 /nfs/dbraw/zinc/23/84/03/652238403.db2.gz VDVSLNOHAUPJPD-UHFFFAOYSA-N -1 1 379.328 2.283 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CCCS1 ZINC000578287724 652259500 /nfs/dbraw/zinc/25/95/00/652259500.db2.gz WTTIGKOKKLDDGQ-VIFPVBQESA-N -1 1 383.322 2.284 20 0 GEADMM COC(=O)CC1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCC1 ZINC000750169138 652284935 /nfs/dbraw/zinc/28/49/35/652284935.db2.gz ADVPUFAJPDKEGV-UHFFFAOYSA-N -1 1 397.678 2.262 20 0 GEADMM O=S(=O)(c1ccc([O-])c(NC(=S)NCC(F)(F)F)c1)N1CCCC1 ZINC000750974376 652316781 /nfs/dbraw/zinc/31/67/81/652316781.db2.gz HMILGQPXLKQJIS-UHFFFAOYSA-N -1 1 383.417 2.025 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2C(F)(F)F)c1Cl ZINC000751261939 652335563 /nfs/dbraw/zinc/33/55/63/652335563.db2.gz IJDFUYKNCNZKBN-JTQLQIEISA-N -1 1 383.779 2.104 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@](C)(CO)c2cccc(C(F)(F)F)c2)c1Cl ZINC000751300759 652339572 /nfs/dbraw/zinc/33/95/72/652339572.db2.gz OZHMFNIGDHEEEE-CYBMUJFWSA-N -1 1 397.806 2.278 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(Cl)cc(Cl)c2)o1 ZINC000751419411 652346702 /nfs/dbraw/zinc/34/67/02/652346702.db2.gz IGSSTXNSZYZJNT-NSHDSACASA-N -1 1 394.232 2.385 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H](O)c1c(F)cccc1Cl ZINC000751475427 652355172 /nfs/dbraw/zinc/35/51/72/652355172.db2.gz MRYMESYKRRGRPV-CPCISQLKSA-N -1 1 382.244 2.266 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2c(F)cccc2Cl)o1 ZINC000751477219 652355493 /nfs/dbraw/zinc/35/54/93/652355493.db2.gz SAFZRBRGGMOFNU-RTHLEPHNSA-N -1 1 391.804 2.259 20 0 GEADMM CC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000660088231 652384825 /nfs/dbraw/zinc/38/48/25/652384825.db2.gz XGCBBGIYKFXVOZ-VGPLMAKISA-N -1 1 376.475 2.149 20 0 GEADMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000660107048 652387239 /nfs/dbraw/zinc/38/72/39/652387239.db2.gz HPCXNQIURDSNPB-UHFFFAOYSA-N -1 1 396.481 2.087 20 0 GEADMM CC(=O)N1CC[C@@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000580680527 652387900 /nfs/dbraw/zinc/38/79/00/652387900.db2.gz GLFCXVFNMOVLID-SNVBAGLBSA-N -1 1 378.226 2.054 20 0 GEADMM O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)c1c([O-])cccc1Cl ZINC000752632715 652390753 /nfs/dbraw/zinc/39/07/53/652390753.db2.gz XYTHPQSZRWRTMP-UHFFFAOYSA-N -1 1 395.289 2.469 20 0 GEADMM COc1cc(OC)c(NS(=O)(=O)C[C@@H](CC(C)C)OC)c(C(=O)[O-])c1 ZINC000581184537 652405659 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/nfs/dbraw/zinc/52/07/17/654520717.db2.gz MECWLBWMJVKHDP-VXGBXAGGSA-N -1 1 378.416 2.327 20 0 GEADMM O=C(c1cc(F)c(Br)cc1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907470501 654546132 /nfs/dbraw/zinc/54/61/32/654546132.db2.gz AXVFDOMQHZYKLM-SNVBAGLBSA-N -1 1 390.213 2.171 20 0 GEADMM CC[C@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000907474780 654546894 /nfs/dbraw/zinc/54/68/94/654546894.db2.gz NYFBOXJZWWOIPO-JTQLQIEISA-N -1 1 397.341 2.201 20 0 GEADMM O=C(c1ccc(OC(F)F)c(Cl)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475424 654547031 /nfs/dbraw/zinc/54/70/31/654547031.db2.gz JXGJPYKHSLVSLK-SECBINFHSA-N -1 1 375.788 2.385 20 0 GEADMM O=S(=O)([N-]Cc1cnn(CCF)c1)c1cc(Br)cnc1Cl ZINC000907651068 654564094 /nfs/dbraw/zinc/56/40/94/654564094.db2.gz YASLNCQPLXGDQT-UHFFFAOYSA-N -1 1 397.657 2.142 20 0 GEADMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(N)=O ZINC000907698362 654569735 /nfs/dbraw/zinc/56/97/35/654569735.db2.gz DLHQARCTDIQQTJ-SECBINFHSA-N -1 1 375.697 2.096 20 0 GEADMM C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1nnnn1C1CC1 ZINC000907714975 654570685 /nfs/dbraw/zinc/57/06/85/654570685.db2.gz UFMAHPLFZIIDJE-ZETCQYMHSA-N -1 1 387.188 2.135 20 0 GEADMM COc1ccc(NC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000926683816 654580439 /nfs/dbraw/zinc/58/04/39/654580439.db2.gz VVCAVVCODVWHAM-WCBMZHEXSA-N -1 1 381.376 2.387 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@@H]23)c(Br)o1 ZINC000907969721 654593433 /nfs/dbraw/zinc/59/34/33/654593433.db2.gz LEFFYWXPVGVAQO-DJLDLDEBSA-N -1 1 378.244 2.296 20 0 GEADMM Cn1cc([C@]2(C[N-]S(=O)(=O)c3cc(Cl)cnc3Cl)CCCO2)cn1 ZINC000908108855 654605073 /nfs/dbraw/zinc/60/50/73/654605073.db2.gz OPRISFVHSMLUMY-CQSZACIVSA-N -1 1 391.280 2.106 20 0 GEADMM O=S(=O)([N-][C@@H]1CCOC12CCCC2)c1ccc(Br)nc1F ZINC000908192381 654611781 /nfs/dbraw/zinc/61/17/81/654611781.db2.gz PKXRUYJXRNQGES-SNVBAGLBSA-N -1 1 379.251 2.363 20 0 GEADMM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1cccc([O-])c1Br ZINC000908708278 654638152 /nfs/dbraw/zinc/63/81/52/654638152.db2.gz QJBVUDOFYDWTQB-MRXNPFEDSA-N -1 1 381.226 2.015 20 0 GEADMM CN1CCC[C@@H](NC(=O)N2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])C1 ZINC000908872223 654643024 /nfs/dbraw/zinc/64/30/24/654643024.db2.gz XIWUOTVKUNXWBX-IUODEOHRSA-N -1 1 396.285 2.064 20 0 GEADMM CN1CC[C@H]1CNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000928558897 654651786 /nfs/dbraw/zinc/65/17/86/654651786.db2.gz FSNYNEBIUJXXKH-QMMMGPOBSA-N -1 1 378.064 2.351 20 0 GEADMM CN(CC(=O)Nc1cc(I)cc(C(=O)[O-])c1)C1CCC1 ZINC000909360702 654660990 /nfs/dbraw/zinc/66/09/90/654660990.db2.gz AYCOKKDYBPCBTR-UHFFFAOYSA-N -1 1 388.205 2.412 20 0 GEADMM C[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1ccccc1Br ZINC000909413422 654663815 /nfs/dbraw/zinc/66/38/15/654663815.db2.gz IUMMSJWXNOCZSE-QWHCGFSZSA-N -1 1 399.285 2.129 20 0 GEADMM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000909800024 654675887 /nfs/dbraw/zinc/67/58/87/654675887.db2.gz QVUIPNYMCLDVOX-WPRPVWTQSA-N -1 1 379.210 2.226 20 0 GEADMM CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@@H](C(=O)[O-])C1 ZINC000909982351 654685060 /nfs/dbraw/zinc/68/50/60/654685060.db2.gz GVDDRXVWPCTIBV-BXKDBHETSA-N -1 1 382.214 2.030 20 0 GEADMM O=C([O-])[C@@H](F)C1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000910128031 654688641 /nfs/dbraw/zinc/68/86/41/654688641.db2.gz JFWXCFXVSRBNBJ-NSHDSACASA-N -1 1 382.189 2.334 20 0 GEADMM Cc1c(Br)cccc1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000910172289 654690356 /nfs/dbraw/zinc/69/03/56/654690356.db2.gz ANSFBTYRYJJLQR-LBPRGKRZSA-N -1 1 383.286 2.307 20 0 GEADMM Cc1cc(CC(=O)N[C@@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)[nH]n1 ZINC000910227337 654693038 /nfs/dbraw/zinc/69/30/38/654693038.db2.gz DOTAOKHDCAZDAQ-KRWDZBQOSA-N -1 1 392.253 2.152 20 0 GEADMM CO[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@@](C)(C(=O)[O-])C1 ZINC000910267797 654694674 /nfs/dbraw/zinc/69/46/74/654694674.db2.gz XLGNWBSYDOWTPX-BJOHPYRUSA-N -1 1 382.214 2.030 20 0 GEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)C(=O)c2cc(C)[nH]n2)c1 ZINC000910768114 654710062 /nfs/dbraw/zinc/71/00/62/654710062.db2.gz WEQXFZUZXWXWQB-ZDUSSCGKSA-N -1 1 382.214 2.387 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000911150358 654718165 /nfs/dbraw/zinc/71/81/65/654718165.db2.gz IWAWRTFGBGZTCG-TXEJJXNPSA-N -1 1 399.285 2.376 20 0 GEADMM O=C([O-])C[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C(F)(F)F ZINC000911159957 654718594 /nfs/dbraw/zinc/71/85/94/654718594.db2.gz ZHJMONFZVBBAAA-MRVPVSSYSA-N -1 1 380.120 2.461 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCCC[C@H]1CO ZINC000911966686 654737944 /nfs/dbraw/zinc/73/79/44/654737944.db2.gz ZXORLPTVSAKGII-NSHDSACASA-N -1 1 395.308 2.035 20 0 GEADMM O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(Br)cc1[O-] ZINC000911982910 654738787 /nfs/dbraw/zinc/73/87/87/654738787.db2.gz PFFSEKCTWDHWEZ-HNNXBMFYSA-N -1 1 384.270 2.452 20 0 GEADMM CSCC[C@H](NC(=O)Cc1sc(C)cc1Br)c1nn[n-]n1 ZINC000912860264 654771486 /nfs/dbraw/zinc/77/14/86/654771486.db2.gz QEOUUYKRFMDHKG-VIFPVBQESA-N -1 1 390.332 2.485 20 0 GEADMM CSCC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000912860088 654771557 /nfs/dbraw/zinc/77/15/57/654771557.db2.gz MIMRDTOCBDKOEV-NSHDSACASA-N -1 1 375.376 2.208 20 0 GEADMM O=C(CCCc1cc(Cl)sc1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494708 654795632 /nfs/dbraw/zinc/79/56/32/654795632.db2.gz CGLXVARWVNSWFT-VIFPVBQESA-N -1 1 376.269 2.491 20 0 GEADMM O=C([C@H]1CCc2cc(Br)ccc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913746122 654807459 /nfs/dbraw/zinc/80/74/59/654807459.db2.gz KQSLMGBDWAXRIO-AWEZNQCLSA-N -1 1 376.258 2.398 20 0 GEADMM COc1c(Br)ccc(C)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745672 654807481 /nfs/dbraw/zinc/80/74/81/654807481.db2.gz AQXRZYJURNJQBK-UHFFFAOYSA-N -1 1 380.246 2.299 20 0 GEADMM O=S(=O)(NC1CCN(C2CC2)CC1)c1c([O-])cccc1OC(F)(F)F ZINC000913879581 654813221 /nfs/dbraw/zinc/81/32/21/654813221.db2.gz CFORMQFXTOOWLP-UHFFFAOYSA-N -1 1 380.388 2.196 20 0 GEADMM O=S(=O)(Cc1cccc(F)c1Br)[N-]Cc1nc(C2CC2)no1 ZINC000913947237 654817944 /nfs/dbraw/zinc/81/79/44/654817944.db2.gz VVDKHZILINGBBM-UHFFFAOYSA-N -1 1 390.234 2.468 20 0 GEADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000913966775 654819070 /nfs/dbraw/zinc/81/90/70/654819070.db2.gz RFUOMSNDHNOMMC-IUCAKERBSA-N -1 1 391.291 2.213 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@](C)(O)C2CC2)c1F ZINC000914160050 654830703 /nfs/dbraw/zinc/83/07/03/654830703.db2.gz VCQDZYPOIDWFQS-CYBMUJFWSA-N -1 1 382.251 2.036 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)c1F ZINC000914238592 654837730 /nfs/dbraw/zinc/83/77/30/654837730.db2.gz WTEMHYZQBOUWPX-CYBMUJFWSA-N -1 1 382.251 2.444 20 0 GEADMM C[C@H](CO)CCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914301488 654843326 /nfs/dbraw/zinc/84/33/26/654843326.db2.gz ZRAOQBOQDRCIFR-RULNZOCKSA-N -1 1 388.433 2.276 20 0 GEADMM C[C@](O)(C[N-]S(=O)(=O)Cc1cccc(F)c1Br)C(F)(F)F ZINC000914304663 654843451 /nfs/dbraw/zinc/84/34/51/654843451.db2.gz FBOTZMCSILPSMI-JTQLQIEISA-N -1 1 394.184 2.321 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C)CCCOC2)c1F ZINC000914324635 654845184 /nfs/dbraw/zinc/84/51/84/654845184.db2.gz MESXEHSPIOHLPO-ZDUSSCGKSA-N -1 1 382.251 2.444 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C)c1F ZINC000914358245 654848114 /nfs/dbraw/zinc/84/81/14/654848114.db2.gz FJNAQOQZANANDL-ISVAXAHUSA-N -1 1 382.251 2.443 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H](O)C2(C)C)c1F ZINC000914398663 654851118 /nfs/dbraw/zinc/85/11/18/654851118.db2.gz MVUGLOSRBPDOQF-UWVGGRQHSA-N -1 1 382.251 2.035 20 0 GEADMM O=S(=O)(CC1(F)CC1)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000915079812 654862762 /nfs/dbraw/zinc/86/27/62/654862762.db2.gz XNEJZOVVDRZGAF-UHFFFAOYSA-N -1 1 390.234 2.421 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CC1=CCCOC1 ZINC000915675109 654876421 /nfs/dbraw/zinc/87/64/21/654876421.db2.gz XOJXXSVDVVARIG-HSZRJFAPSA-N -1 1 384.401 2.214 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000915877015 654881368 /nfs/dbraw/zinc/88/13/68/654881368.db2.gz JSAMUBMUWXDXMO-SRVKXCTJSA-N -1 1 388.511 2.360 20 0 GEADMM C[C@H](CCCCO)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916037886 654885666 /nfs/dbraw/zinc/88/56/66/654885666.db2.gz KATDBZRVJKUFDN-BGJPBQGDSA-N -1 1 388.433 2.419 20 0 GEADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccc(I)cc1)c1nn[n-]n1 ZINC000935365651 654889933 /nfs/dbraw/zinc/88/99/33/654889933.db2.gz JVVJYBUBIFCPRT-ZJUUUORDSA-N -1 1 399.236 2.170 20 0 GEADMM CCc1ccc(Br)cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935455008 654894592 /nfs/dbraw/zinc/89/45/92/654894592.db2.gz AUSBOGKPSAKVRD-GFCCVEGCSA-N -1 1 382.287 2.455 20 0 GEADMM O=C([O-])Cc1nccnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164697646 719897626 /nfs/dbraw/zinc/89/76/26/719897626.db2.gz MLIBKKFNNIEAGD-UHFFFAOYSA-N -1 1 388.493 2.037 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(I)c2)c1C ZINC000151413081 531500598 /nfs/dbraw/zinc/50/05/98/531500598.db2.gz MUQLMMIZEHUUSB-UHFFFAOYSA-N -1 1 377.207 2.432 20 0 GEADMM Cc1nc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)sc1C ZINC000151494894 531506818 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O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)[N-]OCCC(F)(F)F ZINC000154891125 531639318 /nfs/dbraw/zinc/63/93/18/531639318.db2.gz MBYURMGQMZNLRZ-UHFFFAOYSA-N -1 1 386.417 2.075 20 0 GEADMM O=S(=O)([N-]CCOCCO)c1c(Cl)cc(Br)cc1Cl ZINC000040825999 531661941 /nfs/dbraw/zinc/66/19/41/531661941.db2.gz FLOZAMAMGKUNLK-UHFFFAOYSA-N -1 1 393.086 2.043 20 0 GEADMM Cc1c(I)cccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155495373 531686634 /nfs/dbraw/zinc/68/66/34/531686634.db2.gz ITJVBGJNKDYEBO-JTQLQIEISA-N -1 1 397.220 2.133 20 0 GEADMM CSc1nc(C)c(CCC(=O)NCCCN(C)CC(F)(F)F)c(=O)[n-]1 ZINC000047135512 531710548 /nfs/dbraw/zinc/71/05/48/531710548.db2.gz NHRVIIKDTLOGKU-UHFFFAOYSA-N -1 1 380.436 2.146 20 0 GEADMM O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc(Br)ccc1[O-] ZINC000046424043 531703051 /nfs/dbraw/zinc/70/30/51/531703051.db2.gz RXYKJYATHKDXRU-GFCCVEGCSA-N -1 1 377.242 2.344 20 0 GEADMM Cn1cnnc1[N-]C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000157133926 531731556 /nfs/dbraw/zinc/73/15/56/531731556.db2.gz KINZEMAXDNIBFA-UHFFFAOYSA-N 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C[C@@]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)(C(N)=O)c1cccc(Cl)c1 ZINC000178599554 532206109 /nfs/dbraw/zinc/20/61/09/532206109.db2.gz ZAHCTOQSKOAEGT-HNNXBMFYSA-N -1 1 392.786 2.436 20 0 GEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000132384484 532214950 /nfs/dbraw/zinc/21/49/50/532214950.db2.gz ZWFJTBWBRPEUNO-UHFFFAOYSA-N -1 1 393.163 2.242 20 0 GEADMM C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000178904299 532216577 /nfs/dbraw/zinc/21/65/77/532216577.db2.gz KVRHDYCVQBHXBK-ZJUUUORDSA-N -1 1 388.205 2.025 20 0 GEADMM C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H](C(=O)[O-])C1 ZINC000178904299 532216579 /nfs/dbraw/zinc/21/65/79/532216579.db2.gz KVRHDYCVQBHXBK-ZJUUUORDSA-N -1 1 388.205 2.025 20 0 GEADMM COC[C@@H](C)S(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000132764291 532221110 /nfs/dbraw/zinc/22/11/10/532221110.db2.gz LRONZLYIMFHJPW-AMIZOPFISA-N -1 1 377.825 2.214 20 0 GEADMM Cc1cc(CN2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)on1 ZINC000132907068 532223666 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CC[C@]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)(C(N)=O)C(C)C ZINC000181537340 532301059 /nfs/dbraw/zinc/30/10/59/532301059.db2.gz SBQLMEHKCPAUJR-GFCCVEGCSA-N -1 1 398.710 2.066 20 0 GEADMM Cc1oc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1S(N)(=O)=O ZINC000182932447 532319656 /nfs/dbraw/zinc/31/96/56/532319656.db2.gz JDGORAZNTSNFGS-UHFFFAOYSA-N -1 1 389.227 2.264 20 0 GEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000185052737 532336654 /nfs/dbraw/zinc/33/66/54/532336654.db2.gz DEFHCIJOUHOYNS-UHFFFAOYSA-N -1 1 386.470 2.338 20 0 GEADMM CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000185051553 532336764 /nfs/dbraw/zinc/33/67/64/532336764.db2.gz UPCYWJODHRSNGM-UHFFFAOYSA-N -1 1 386.857 2.384 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)o1 ZINC000186205174 532340054 /nfs/dbraw/zinc/34/00/54/532340054.db2.gz JECJKJRHJHYBBN-AWEZNQCLSA-N -1 1 384.841 2.055 20 0 GEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c(Cl)c1 ZINC000186497505 532341001 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C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)co1 ZINC000278884578 532387266 /nfs/dbraw/zinc/38/72/66/532387266.db2.gz HEFCHSUSJLPPTP-CQSZACIVSA-N -1 1 386.857 2.301 20 0 GEADMM O=S(=O)([N-]Cc1ncn(-c2ccccc2)n1)c1ccc(Br)o1 ZINC000516958471 532399691 /nfs/dbraw/zinc/39/96/91/532399691.db2.gz BMJJXDNRRXQZSZ-UHFFFAOYSA-N -1 1 383.227 2.101 20 0 GEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000517052466 532403204 /nfs/dbraw/zinc/40/32/04/532403204.db2.gz AJETWRRRDMGYJT-CYBMUJFWSA-N -1 1 381.372 2.491 20 0 GEADMM CCC[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nn[n-]n1 ZINC000295085620 532402185 /nfs/dbraw/zinc/40/21/85/532402185.db2.gz VZLNNMNLCVZFAW-GFCCVEGCSA-N -1 1 390.245 2.419 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000559841202 532406052 /nfs/dbraw/zinc/40/60/52/532406052.db2.gz MQUYWQQBBAPOMK-UHFFFAOYSA-N -1 1 383.373 2.023 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC[C@@H]1N1CCOCC1)c1c(F)cccc1Cl ZINC000372808362 532411889 /nfs/dbraw/zinc/41/18/89/532411889.db2.gz XOWLZOFBMNFCSI-DOMZBBRYSA-N -1 1 376.881 2.258 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(S(N)(=O)=O)ccc3C)cc2s1 ZINC000427118437 532410649 /nfs/dbraw/zinc/41/06/49/532410649.db2.gz XMOLAGCWXUZQIT-UHFFFAOYSA-N -1 1 397.503 2.361 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC2)c(OC)c1 ZINC000560082039 532414009 /nfs/dbraw/zinc/41/40/09/532414009.db2.gz PMEJYIVTPBGHPX-LBPRGKRZSA-N -1 1 390.527 2.266 20 0 GEADMM CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2[O-])Cc2ccccc21 ZINC000372856242 532414124 /nfs/dbraw/zinc/41/41/24/532414124.db2.gz LSFDXXCVXVKJBN-UHFFFAOYSA-N -1 1 380.853 2.468 20 0 GEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ncccc1O ZINC000427256048 532417057 /nfs/dbraw/zinc/41/70/57/532417057.db2.gz HXSFQSFZTDUPOO-UHFFFAOYSA-N -1 1 376.419 2.297 20 0 GEADMM CN(CCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl)S(C)(=O)=O ZINC000649634509 532419081 /nfs/dbraw/zinc/41/90/81/532419081.db2.gz YIWCDQNTXROSBC-UHFFFAOYSA-N -1 1 396.943 2.115 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1 ZINC000295209596 532419839 /nfs/dbraw/zinc/41/98/39/532419839.db2.gz OWBNORBPPDUKPR-CQSZACIVSA-N -1 1 381.475 2.395 20 0 GEADMM COCC[C@@H](COC)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000427600533 532427689 /nfs/dbraw/zinc/42/76/89/532427689.db2.gz UJHAHAPAPDKUNY-JTQLQIEISA-N -1 1 383.242 2.484 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C2CC2)C2CC2)c(F)c1 ZINC000625439046 532429507 /nfs/dbraw/zinc/42/95/07/532429507.db2.gz AIEMEKAEZXDVNN-UHFFFAOYSA-N -1 1 376.475 2.293 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCOc2ccccc2Cl)c1 ZINC000427910473 532435910 /nfs/dbraw/zinc/43/59/10/532435910.db2.gz BGZAQJHGXKVSGD-UHFFFAOYSA-N -1 1 384.841 2.361 20 0 GEADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000592048746 532436447 /nfs/dbraw/zinc/43/64/47/532436447.db2.gz DFSNOIPOKDMIIA-JKSUJKDBSA-N -1 1 391.917 2.405 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)cn1C ZINC000467086108 532438291 /nfs/dbraw/zinc/43/82/91/532438291.db2.gz QGLBDZRSYINYPN-UHFFFAOYSA-N -1 1 384.435 2.033 20 0 GEADMM O=S(=O)([N-]CCN1CCC(O)CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000295364803 532438444 /nfs/dbraw/zinc/43/84/44/532438444.db2.gz PGOAMKWCFRWEIQ-UHFFFAOYSA-N -1 1 387.716 2.382 20 0 GEADMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000561527785 532443242 /nfs/dbraw/zinc/44/32/42/532443242.db2.gz RAJWCTQRERDHGA-UHFFFAOYSA-N -1 1 381.435 2.335 20 0 GEADMM CCC[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)c1nn[n-]n1 ZINC000467636327 532452434 /nfs/dbraw/zinc/45/24/34/532452434.db2.gz JLJRNLWKIMLHFZ-LBPRGKRZSA-N -1 1 378.230 2.396 20 0 GEADMM COc1cc(Br)ccc1CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000428289078 532449718 /nfs/dbraw/zinc/44/97/18/532449718.db2.gz ZJUJDSPPROXCQL-UHFFFAOYSA-N -1 1 391.225 2.375 20 0 GEADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)c1 ZINC000592382706 532453571 /nfs/dbraw/zinc/45/35/71/532453571.db2.gz DAJAOKXUMAIIMN-HNNXBMFYSA-N -1 1 391.873 2.310 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@H](O)C(F)F ZINC000295494334 532453883 /nfs/dbraw/zinc/45/38/83/532453883.db2.gz BBJIZPWYVKJJSK-SCZZXKLOSA-N -1 1 376.194 2.271 20 0 GEADMM CO[C@@H](C)CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000282292334 532453956 /nfs/dbraw/zinc/45/39/56/532453956.db2.gz WDHPQGHAGWDKRM-ZDUSSCGKSA-N -1 1 384.479 2.264 20 0 GEADMM C[C@@H]1CSCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000562149888 532458847 /nfs/dbraw/zinc/45/88/47/532458847.db2.gz NQXZQWGVDXNFTQ-SECBINFHSA-N -1 1 383.322 2.236 20 0 GEADMM C[C@H](CCc1ccc(I)cc1)CC(=O)NCc1nn[n-]n1 ZINC000592763787 532460790 /nfs/dbraw/zinc/46/07/90/532460790.db2.gz YVHCQMZZJDPXNQ-SNVBAGLBSA-N -1 1 399.236 2.080 20 0 GEADMM COCCOC1(CNC(=O)c2ccc(Br)cc2[O-])CCOCC1 ZINC000295650563 532466837 /nfs/dbraw/zinc/46/68/37/532466837.db2.gz GKCBUNDXLKWNIS-UHFFFAOYSA-N -1 1 388.258 2.097 20 0 GEADMM O=C(CCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1)NC1CCCC1 ZINC000195115652 532469387 /nfs/dbraw/zinc/46/93/87/532469387.db2.gz NXKIAFXPZZJSGL-UHFFFAOYSA-N -1 1 382.873 2.348 20 0 GEADMM O=C(CCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1)NC1CCCC1 ZINC000195115652 532469393 /nfs/dbraw/zinc/46/93/93/532469393.db2.gz NXKIAFXPZZJSGL-UHFFFAOYSA-N -1 1 382.873 2.348 20 0 GEADMM O=C(Nc1cc2ccccn2n1)c1ccc(I)c([O-])c1 ZINC000562868153 532486780 /nfs/dbraw/zinc/48/67/80/532486780.db2.gz YNDRIDGNALHAQL-UHFFFAOYSA-N -1 1 379.157 2.897 20 0 GEADMM Cc1cnc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000521069401 532504576 /nfs/dbraw/zinc/50/45/76/532504576.db2.gz IRYRUGWERRKPPB-UHFFFAOYSA-N -1 1 380.857 2.333 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](C)Cn2cccn2)c1F ZINC000594455770 532506450 /nfs/dbraw/zinc/50/64/50/532506450.db2.gz CWZPKNMLJDYYPM-SNVBAGLBSA-N -1 1 389.836 2.077 20 0 GEADMM CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282931329 532507273 /nfs/dbraw/zinc/50/72/73/532507273.db2.gz OTTPTVOYXNUISE-JTQLQIEISA-N -1 1 382.262 2.263 20 0 GEADMM O=C(CSc1cccc(Br)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282964029 532510042 /nfs/dbraw/zinc/51/00/42/532510042.db2.gz RNXKJTNIHFUYIY-SNVBAGLBSA-N -1 1 397.298 2.359 20 0 GEADMM CC(C)n1cc(Br)cc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630224258 532510498 /nfs/dbraw/zinc/51/04/98/532510498.db2.gz PYHJZAHYXKVOIJ-UHFFFAOYSA-N -1 1 386.290 2.453 20 0 GEADMM O=C1CCCN1[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000521371290 532513428 /nfs/dbraw/zinc/51/34/28/532513428.db2.gz BEUMHUYQSOMMHS-WDEREUQCSA-N -1 1 376.400 2.316 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1sc(C)cc1C)c1ccc2c(c1)CCO2 ZINC000431516549 532514741 /nfs/dbraw/zinc/51/47/41/532514741.db2.gz FVHKTKAQDMNPEI-OAHLLOKOSA-N -1 1 381.475 2.492 20 0 GEADMM C[C@@]1(C(=O)[O-])CCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000652480588 532514742 /nfs/dbraw/zinc/51/47/42/532514742.db2.gz KMFGHGYPTUFJBK-AWEZNQCLSA-N -1 1 376.272 2.162 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1c(F)cccc1Cl ZINC000374707610 532515596 /nfs/dbraw/zinc/51/55/96/532515596.db2.gz PJFZAHKHXIGNNL-XHDPSFHLSA-N -1 1 377.865 2.325 20 0 GEADMM O=S(=O)([N-]C[C@H](O)C(F)(F)F)c1c(Cl)cccc1Br ZINC000283101685 532517771 /nfs/dbraw/zinc/51/77/71/532517771.db2.gz XGRHUTJQLQFVAC-ZETCQYMHSA-N -1 1 382.585 2.304 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593872001 532499951 /nfs/dbraw/zinc/49/99/51/532499951.db2.gz CPDHDJATXQBSPT-YWHIBEFZSA-N -1 1 381.251 2.048 20 0 GEADMM COc1ccc(NC(=O)NCCc2scnc2C)cc1[N-]S(C)(=O)=O ZINC000296749960 532539751 /nfs/dbraw/zinc/53/97/51/532539751.db2.gz GITUDMZVGDDMMT-UHFFFAOYSA-N -1 1 384.483 2.196 20 0 GEADMM Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)ccc1C(=O)[O-] ZINC000471113160 532541986 /nfs/dbraw/zinc/54/19/86/532541986.db2.gz OEJRWMAKMIYPDB-UHFFFAOYSA-N -1 1 387.410 2.037 20 0 GEADMM Cc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1C(=O)[O-] ZINC000471116260 532542027 /nfs/dbraw/zinc/54/20/27/532542027.db2.gz LXANYVQQDZAEHD-UHFFFAOYSA-N -1 1 387.410 2.037 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1 ZINC000471122670 532542248 /nfs/dbraw/zinc/54/22/48/532542248.db2.gz YRFOTJGZAIGNKR-UHFFFAOYSA-N -1 1 382.463 2.239 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)c1 ZINC000471123866 532543338 /nfs/dbraw/zinc/54/33/38/532543338.db2.gz ICUIMZAEPGNYLE-UHFFFAOYSA-N -1 1 383.447 2.068 20 0 GEADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)N1CCN(C)CC1 ZINC000283566541 532545631 /nfs/dbraw/zinc/54/56/31/532545631.db2.gz POPOIDCDQWPWBD-CQSZACIVSA-N -1 1 395.903 2.169 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c(C)cc1C ZINC000527027851 532543979 /nfs/dbraw/zinc/54/39/79/532543979.db2.gz DOVUOIHVQLVALX-UHFFFAOYSA-N -1 1 381.475 2.443 20 0 GEADMM O=C(NCCN1CCCC1=O)c1c([O-])cnc2c(Br)cccc21 ZINC000521889421 532520653 /nfs/dbraw/zinc/52/06/53/532520653.db2.gz STAQYZJEHZJKCL-UHFFFAOYSA-N -1 1 378.226 2.055 20 0 GEADMM O=C([O-])[C@H]1CC(=O)N(CCNCc2cccc(Br)c2Cl)C1 ZINC000630461432 532521703 /nfs/dbraw/zinc/52/17/03/532521703.db2.gz YEDUFIYSIBGUSI-JTQLQIEISA-N -1 1 375.650 2.125 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)cc(Cl)c1F ZINC000594706509 532522452 /nfs/dbraw/zinc/52/24/52/532522452.db2.gz SEMXINDYPZHQTD-NOZJJQNGSA-N -1 1 395.836 2.059 20 0 GEADMM CN(CCN1CCCC1=O)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000564468965 532524437 /nfs/dbraw/zinc/52/44/37/532524437.db2.gz MMUODEJAEOYCMO-UHFFFAOYSA-N -1 1 392.253 2.397 20 0 GEADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)(C(=O)OC)C1(C)C ZINC000594769929 532525756 /nfs/dbraw/zinc/52/57/56/532525756.db2.gz CPAJKOSZQPAZML-MISXGVKJSA-N -1 1 389.436 2.241 20 0 GEADMM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(C)C ZINC000594778874 532527025 /nfs/dbraw/zinc/52/70/25/532527025.db2.gz CRIOEZQNNZMIJR-NSHDSACASA-N -1 1 379.276 2.099 20 0 GEADMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OC ZINC000594785964 532527981 /nfs/dbraw/zinc/52/79/81/532527981.db2.gz WPSOMDKDSHWPBM-GXSJLCMTSA-N -1 1 379.276 2.100 20 0 GEADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000564749014 532531405 /nfs/dbraw/zinc/53/14/05/532531405.db2.gz ZPHGPNGNUDOPMC-UHFFFAOYSA-N -1 1 380.241 2.369 20 0 GEADMM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCOC1 ZINC000594841749 532532565 /nfs/dbraw/zinc/53/25/65/532532565.db2.gz HYILJWWQOFKILU-OAHLLOKOSA-N -1 1 379.837 2.258 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOC(C)C)c1ccccc1Br ZINC000594841879 532532753 /nfs/dbraw/zinc/53/27/53/532532753.db2.gz BMRZXTCCJGUGCH-CYBMUJFWSA-N -1 1 394.287 2.008 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000525524024 532533348 /nfs/dbraw/zinc/53/33/48/532533348.db2.gz CBNGWHPFOISDIV-UHFFFAOYSA-N -1 1 380.809 2.422 20 0 GEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)n[nH]1 ZINC000471524114 532552283 /nfs/dbraw/zinc/55/22/83/532552283.db2.gz WHTZSXLTWYPLHQ-UHFFFAOYSA-N -1 1 390.462 2.064 20 0 GEADMM CC(C)(CO)O[N-]C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000297169490 532569948 /nfs/dbraw/zinc/56/99/48/532569948.db2.gz KIAZQNSDIISDIL-UHFFFAOYSA-N -1 1 390.259 2.312 20 0 GEADMM 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/nfs/dbraw/zinc/76/89/73/532768973.db2.gz BRMBXUZAKQZVIQ-UHFFFAOYSA-N -1 1 386.520 2.426 20 0 GEADMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000286792457 532769106 /nfs/dbraw/zinc/76/91/06/532769106.db2.gz GYWFCBFZKFTPFQ-UWVGGRQHSA-N -1 1 382.349 2.444 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H](O)C(C)C ZINC000509456751 532770801 /nfs/dbraw/zinc/77/08/01/532770801.db2.gz YOGGVCWKHVIPSZ-GFCCVEGCSA-N -1 1 384.281 2.465 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(Br)n1C ZINC000287061882 532782071 /nfs/dbraw/zinc/78/20/71/532782071.db2.gz XBKLDTBPGZRKBB-UHFFFAOYSA-N -1 1 380.214 2.248 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1ccc(Br)o1 ZINC000544714899 532782415 /nfs/dbraw/zinc/78/24/15/532782415.db2.gz UJRLMRJPHSMIHB-VIFPVBQESA-N -1 1 390.234 2.133 20 0 GEADMM CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Br)nc1C ZINC000318171571 532784609 /nfs/dbraw/zinc/78/46/09/532784609.db2.gz AQROAKQRDUSOJW-UHFFFAOYSA-N -1 1 388.243 2.473 20 0 GEADMM C[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000319305279 532785442 /nfs/dbraw/zinc/78/54/42/532785442.db2.gz OWJUXQDEFSXFAC-RISCZKNCSA-N -1 1 390.299 2.408 20 0 GEADMM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000546801788 532785763 /nfs/dbraw/zinc/78/57/63/532785763.db2.gz QVNHCMXIWLUQQN-UHFFFAOYSA-N -1 1 385.283 2.379 20 0 GEADMM C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C(=O)[O-] ZINC000319020950 532785786 /nfs/dbraw/zinc/78/57/86/532785786.db2.gz DMBUYHXQNBZWEE-RISCZKNCSA-N -1 1 390.299 2.408 20 0 GEADMM COC(=O)c1ncsc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000548221861 532789941 /nfs/dbraw/zinc/78/99/41/532789941.db2.gz DGFWENLJGNNQOI-UHFFFAOYSA-N -1 1 376.799 2.082 20 0 GEADMM CON1CCC(N(C)C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000457315764 532790246 /nfs/dbraw/zinc/79/02/46/532790246.db2.gz UNOVHLRAMSCMMU-UHFFFAOYSA-N -1 1 390.221 2.095 20 0 GEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c1 ZINC000326449946 532790307 /nfs/dbraw/zinc/79/03/07/532790307.db2.gz CVQHYQNHRHHFHJ-UHFFFAOYSA-N -1 1 382.463 2.036 20 0 GEADMM COC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(I)c([O-])c1 ZINC000412522471 532794319 /nfs/dbraw/zinc/79/43/19/532794319.db2.gz OSGNJCICQOKYDD-LLVKDONJSA-N -1 1 389.189 2.068 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCN2C(=O)CC[C@H]2C1 ZINC000329556636 532808799 /nfs/dbraw/zinc/80/87/99/532808799.db2.gz HMDLUNDPOQSTHT-JTQLQIEISA-N -1 1 390.237 2.150 20 0 GEADMM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)C(C)C ZINC000412715781 532799192 /nfs/dbraw/zinc/79/91/92/532799192.db2.gz PXIZYEMJZBDIMZ-JSGCOSHPSA-N -1 1 397.324 2.183 20 0 GEADMM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)C(C)C ZINC000412715780 532799375 /nfs/dbraw/zinc/79/93/75/532799375.db2.gz PXIZYEMJZBDIMZ-GXTWGEPZSA-N -1 1 397.324 2.183 20 0 GEADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1csnn1 ZINC000412810418 532801019 /nfs/dbraw/zinc/80/10/19/532801019.db2.gz XHXNBHIZXPXTTQ-SSDOTTSWSA-N -1 1 395.293 2.001 20 0 GEADMM CCC[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000287627532 532803328 /nfs/dbraw/zinc/80/33/28/532803328.db2.gz UABKUKNIQAMPEB-ZDUSSCGKSA-N -1 1 385.877 2.065 20 0 GEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000272397111 532815286 /nfs/dbraw/zinc/81/52/86/532815286.db2.gz DPWOPFVPQHWKHW-UHFFFAOYSA-N -1 1 393.437 2.477 20 0 GEADMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000288161008 532818980 /nfs/dbraw/zinc/81/89/80/532818980.db2.gz OFRTXWNBDZHZES-UWVGGRQHSA-N -1 1 382.349 2.444 20 0 GEADMM CCn1cc(S(=O)(=O)N(CCN(C)C)Cc2ccsc2)cc1C(=O)[O-] ZINC000414356438 532821648 /nfs/dbraw/zinc/82/16/48/532821648.db2.gz ZRRIGEMFXYRLSI-UHFFFAOYSA-N -1 1 385.511 2.020 20 0 GEADMM O=C1CCCCN1CCC[N-]S(=O)(=O)c1sccc1Br ZINC000330657830 532824589 /nfs/dbraw/zinc/82/45/89/532824589.db2.gz RQXVIIZFHPFFIC-UHFFFAOYSA-N -1 1 381.317 2.192 20 0 GEADMM C[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000288405864 532825910 /nfs/dbraw/zinc/82/59/10/532825910.db2.gz NBOBNKMNQGRCNC-QUBYGPBYSA-N -1 1 392.713 2.358 20 0 GEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000273547239 532826205 /nfs/dbraw/zinc/82/62/05/532826205.db2.gz CCKNHUAYRGFZFJ-RXMQYKEDSA-N -1 1 383.318 2.413 20 0 GEADMM C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273731233 532832467 /nfs/dbraw/zinc/83/24/67/532832467.db2.gz NMVLGAKATJWIQW-SDBXPKJASA-N -1 1 393.292 2.453 20 0 GEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccc(F)c(Br)c2)C1=O ZINC000414652955 532833920 /nfs/dbraw/zinc/83/39/20/532833920.db2.gz HINZRMAEEBCPPE-KGLIPLIRSA-N -1 1 387.249 2.388 20 0 GEADMM CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C[C@H]1N(C)C ZINC000331320693 532837609 /nfs/dbraw/zinc/83/76/09/532837609.db2.gz KPZFUEGJRMKEKT-ZYHUDNBSSA-N -1 1 384.445 2.077 20 0 GEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000274251768 532846068 /nfs/dbraw/zinc/84/60/68/532846068.db2.gz ZMBKORKSEJEIEO-YFKPBYRVSA-N -1 1 396.206 2.283 20 0 GEADMM CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)CC2 ZINC000332252911 532850892 /nfs/dbraw/zinc/85/08/92/532850892.db2.gz SSZNFKLHXQHRRJ-VIFPVBQESA-N -1 1 389.275 2.050 20 0 GEADMM CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)CC2 ZINC000332252909 532851104 /nfs/dbraw/zinc/85/11/04/532851104.db2.gz SSZNFKLHXQHRRJ-SECBINFHSA-N -1 1 389.275 2.050 20 0 GEADMM O=C(Nc1nnc2n1CCCC2)c1ccc(I)c([O-])c1 ZINC000332279807 532851481 /nfs/dbraw/zinc/85/14/81/532851481.db2.gz HITUAXYTQHSTNB-UHFFFAOYSA-N -1 1 384.177 2.177 20 0 GEADMM CSc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1Cl ZINC000274945003 532859994 /nfs/dbraw/zinc/85/99/94/532859994.db2.gz HBZSDPPUZFMJPP-ZDUSSCGKSA-N -1 1 392.930 2.279 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000274968332 532860662 /nfs/dbraw/zinc/86/06/62/532860662.db2.gz KDXOEEAEWSJVCF-AWEZNQCLSA-N -1 1 395.308 2.352 20 0 GEADMM Cc1cccc(CS(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289687358 532863214 /nfs/dbraw/zinc/86/32/14/532863214.db2.gz VOVSASWWOUQICF-AWEZNQCLSA-N -1 1 378.416 2.215 20 0 GEADMM Cc1cc(S(=O)(=O)NCCNC(=O)c2c(F)ccc([O-])c2F)c(C)s1 ZINC000289877277 532867211 /nfs/dbraw/zinc/86/72/11/532867211.db2.gz RTLKVCVFDLLBPY-UHFFFAOYSA-N -1 1 390.433 2.057 20 0 GEADMM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cn1 ZINC000275213572 532868725 /nfs/dbraw/zinc/86/87/25/532868725.db2.gz BFHYCZRPHFLATJ-DZGCQCFKSA-N -1 1 375.372 2.036 20 0 GEADMM O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000275289026 532871722 /nfs/dbraw/zinc/87/17/22/532871722.db2.gz ULVNVKDOUJKZOF-MRVPVSSYSA-N -1 1 395.175 2.295 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCN(C(=O)C2CC2)C1 ZINC000333734378 532872859 /nfs/dbraw/zinc/87/28/59/532872859.db2.gz LMHBJEZPXHFSQR-UHFFFAOYSA-N -1 1 390.237 2.355 20 0 GEADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCCO1 ZINC000290400546 532879968 /nfs/dbraw/zinc/87/99/68/532879968.db2.gz LLKBCRJLPIVKQH-MFKMUULPSA-N -1 1 395.308 2.346 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C(C)(C)C)nc1 ZINC000349516917 532882390 /nfs/dbraw/zinc/88/23/90/532882390.db2.gz DPMWWYDFWXVGCT-CQSZACIVSA-N -1 1 391.559 2.218 20 0 GEADMM CC(C)N(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349517564 532882450 /nfs/dbraw/zinc/88/24/50/532882450.db2.gz FPPTURZXQDWPAU-UHFFFAOYSA-N -1 1 395.934 2.069 20 0 GEADMM CC1(C)CCC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)CC1 ZINC000349596504 532883452 /nfs/dbraw/zinc/88/34/52/532883452.db2.gz YORZUTIVLSXVAS-UHFFFAOYSA-N -1 1 389.543 2.102 20 0 GEADMM CCO[C@@H]1C[C@@](NS(=O)(=O)c2c(F)cc(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275810271 532883646 /nfs/dbraw/zinc/88/36/46/532883646.db2.gz XVDLQXMUKZFGIC-IAQYHMDHSA-N -1 1 381.372 2.041 20 0 GEADMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)s1 ZINC000275646967 532880411 /nfs/dbraw/zinc/88/04/11/532880411.db2.gz SVJBHNVOZBBQHE-UHFFFAOYSA-N -1 1 392.915 2.350 20 0 GEADMM CC(C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000349464806 532880870 /nfs/dbraw/zinc/88/08/70/532880870.db2.gz CIVWKQOJIVODCS-LLVKDONJSA-N -1 1 384.470 2.038 20 0 GEADMM CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C(C)C ZINC000349461909 532881085 /nfs/dbraw/zinc/88/10/85/532881085.db2.gz AFGZTWPFQMHCRR-AWEZNQCLSA-N -1 1 389.543 2.151 20 0 GEADMM CC1(C)CN(C(=O)c2cc(I)ccc2[O-])CC[C@@H]1O ZINC000276041492 532887733 /nfs/dbraw/zinc/88/77/33/532887733.db2.gz PHVBPFDLIAKNHJ-LBPRGKRZSA-N -1 1 375.206 2.230 20 0 GEADMM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000290565894 532884520 /nfs/dbraw/zinc/88/45/20/532884520.db2.gz SOVSRCHQKARGIO-UHFFFAOYSA-N -1 1 398.934 2.150 20 0 GEADMM CCC1(O)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000290834863 532890250 /nfs/dbraw/zinc/89/02/50/532890250.db2.gz NEWVMWLOWMPAAH-UHFFFAOYSA-N -1 1 395.308 2.035 20 0 GEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1F ZINC000421149772 532888521 /nfs/dbraw/zinc/88/85/21/532888521.db2.gz HUMMNOGBPRSXRT-UHFFFAOYSA-N -1 1 377.344 2.311 20 0 GEADMM COCCC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000290877230 532891695 /nfs/dbraw/zinc/89/16/95/532891695.db2.gz BCLWOGOMIDABRP-UHFFFAOYSA-N -1 1 395.308 2.205 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC000290995614 532894188 /nfs/dbraw/zinc/89/41/88/532894188.db2.gz CBYPREHNLXZWKD-QMMMGPOBSA-N -1 1 397.159 2.087 20 0 GEADMM CCS(=O)(=O)N1CCc2c(cccc2[N-]S(=O)(=O)c2ccccc2)C1 ZINC000361812720 532894515 /nfs/dbraw/zinc/89/45/15/532894515.db2.gz IZFDBPPTZXMEQG-UHFFFAOYSA-N -1 1 380.491 2.195 20 0 GEADMM C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291054970 532895904 /nfs/dbraw/zinc/89/59/04/532895904.db2.gz HKARCPNFBNOCAG-RYUDHWBXSA-N -1 1 375.416 2.479 20 0 GEADMM COCC1(O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000291219465 532898336 /nfs/dbraw/zinc/89/83/36/532898336.db2.gz GNTDJPVDBAKVJS-UHFFFAOYSA-N -1 1 395.253 2.316 20 0 GEADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000363935137 532902083 /nfs/dbraw/zinc/90/20/83/532902083.db2.gz HTSDXSVTGZQNNF-JTQLQIEISA-N -1 1 384.845 2.033 20 0 GEADMM CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000291536154 532903814 /nfs/dbraw/zinc/90/38/14/532903814.db2.gz KUGNJSSJQIMRBJ-MNOVXSKESA-N -1 1 395.308 2.298 20 0 GEADMM Cc1nn(C)c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1Br ZINC000291670852 532906769 /nfs/dbraw/zinc/90/67/69/532906769.db2.gz WFTOXSLPFKJNOE-SNVBAGLBSA-N -1 1 397.239 2.382 20 0 GEADMM C[C@H](NC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1cccs1 ZINC000292070735 532912635 /nfs/dbraw/zinc/91/26/35/532912635.db2.gz DMFZBLUILSNWJP-QJPTWQEYSA-N -1 1 377.432 2.457 20 0 GEADMM CC[C@]([N-]S(=O)(=O)c1cnn(C)c1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000292315391 532915222 /nfs/dbraw/zinc/91/52/22/532915222.db2.gz NNPUMUHAJLZNPV-MRXNPFEDSA-N -1 1 385.873 2.139 20 0 GEADMM CSc1nc(=NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)s[n-]1 ZINC000366265739 532915728 /nfs/dbraw/zinc/91/57/28/532915728.db2.gz FZPOOHJSQYGASW-ZDUSSCGKSA-N -1 1 378.527 2.111 20 0 GEADMM CSc1nc(=NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)s[n-]1 ZINC000366265739 532915730 /nfs/dbraw/zinc/91/57/30/532915730.db2.gz FZPOOHJSQYGASW-ZDUSSCGKSA-N -1 1 378.527 2.111 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c(C(F)(F)F)n1 ZINC000293594476 532929314 /nfs/dbraw/zinc/92/93/14/532929314.db2.gz URXUDKNYLNXISZ-UHFFFAOYSA-N -1 1 383.779 2.450 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)OC(C)(C)C ZINC000293597710 532929429 /nfs/dbraw/zinc/92/94/29/532929429.db2.gz UWJVVYBZYZEGHV-JTQLQIEISA-N -1 1 385.408 2.084 20 0 GEADMM Cc1nccnc1CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000293898723 532933144 /nfs/dbraw/zinc/93/31/44/532933144.db2.gz VTYKALACOCAOKC-UHFFFAOYSA-N -1 1 391.678 2.117 20 0 GEADMM Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)s2)cs1 ZINC000368565054 532933415 /nfs/dbraw/zinc/93/34/15/532933415.db2.gz ZPKRJKNMXMKORH-QWHCGFSZSA-N -1 1 399.563 2.322 20 0 GEADMM Cc1c2cc(Br)ccc2oc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370892563 532945812 /nfs/dbraw/zinc/94/58/12/532945812.db2.gz PYMZOTNHPAWQTJ-LBPRGKRZSA-N -1 1 392.213 2.231 20 0 GEADMM CC(C)n1nc2c(cc1=O)CN(C(=O)c1cc(Br)ccc1[O-])CC2 ZINC000371184224 532947265 /nfs/dbraw/zinc/94/72/65/532947265.db2.gz IBAIWSGDPVOXFQ-UHFFFAOYSA-N -1 1 392.253 2.491 20 0 GEADMM Cn1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cc1=O ZINC000737612734 598834429 /nfs/dbraw/zinc/83/44/29/598834429.db2.gz MMVUKOILCHTDBW-UHFFFAOYSA-N -1 1 392.444 2.224 20 0 GEADMM CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736564809 598840897 /nfs/dbraw/zinc/84/08/97/598840897.db2.gz MACSMOMLVUIAPH-UHFFFAOYSA-N -1 1 383.355 2.499 20 0 GEADMM CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736564809 598840898 /nfs/dbraw/zinc/84/08/98/598840898.db2.gz MACSMOMLVUIAPH-UHFFFAOYSA-N -1 1 383.355 2.499 20 0 GEADMM COc1cccc2c1N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CCC2 ZINC000737142470 598841516 /nfs/dbraw/zinc/84/15/16/598841516.db2.gz VGWRPKSYSYSDNY-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM COc1cccc2c1N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CCC2 ZINC000737142470 598841517 /nfs/dbraw/zinc/84/15/17/598841517.db2.gz VGWRPKSYSYSDNY-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ccc[n+]([O-])c1 ZINC000738113141 598847546 /nfs/dbraw/zinc/84/75/46/598847546.db2.gz VKRWULGJZUKNTQ-UHFFFAOYSA-N -1 1 378.417 2.159 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCCC(C)(C)C ZINC000737488193 598848715 /nfs/dbraw/zinc/84/87/15/598848715.db2.gz QTDVQUZOVFNQKY-UHFFFAOYSA-N -1 1 384.488 2.401 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCCC(C)(C)C ZINC000737488193 598848716 /nfs/dbraw/zinc/84/87/16/598848716.db2.gz QTDVQUZOVFNQKY-UHFFFAOYSA-N -1 1 384.488 2.401 20 0 GEADMM CN(Cc1ccccc1F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736829247 598872817 /nfs/dbraw/zinc/87/28/17/598872817.db2.gz YPUMIAXWEDQLTF-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(Cc1ccccc1F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736829247 598872818 /nfs/dbraw/zinc/87/28/18/598872818.db2.gz YPUMIAXWEDQLTF-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736819483 598872821 /nfs/dbraw/zinc/87/28/21/598872821.db2.gz MMNDIEXYCHXNJG-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736819483 598872823 /nfs/dbraw/zinc/87/28/23/598872823.db2.gz MMNDIEXYCHXNJG-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM COc1cccc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737132439 598873689 /nfs/dbraw/zinc/87/36/89/598873689.db2.gz XWIJGXGTBKENLB-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM COc1cccc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000737132439 598873690 /nfs/dbraw/zinc/87/36/90/598873690.db2.gz XWIJGXGTBKENLB-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(Cc1ccncc1)C1CC1 ZINC000738352969 598874681 /nfs/dbraw/zinc/87/46/81/598874681.db2.gz AEWSSHQBOITWHN-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(Cc1ccncc1)C1CC1 ZINC000738352969 598874682 /nfs/dbraw/zinc/87/46/82/598874682.db2.gz AEWSSHQBOITWHN-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM O=C(NCc1ncc[nH]1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738122839 598910058 /nfs/dbraw/zinc/91/00/58/598910058.db2.gz HDQZKBQLKVPZOH-UHFFFAOYSA-N -1 1 379.355 2.451 20 0 GEADMM O=C(NCc1ncc[nH]1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738122839 598910060 /nfs/dbraw/zinc/91/00/60/598910060.db2.gz HDQZKBQLKVPZOH-UHFFFAOYSA-N -1 1 379.355 2.451 20 0 GEADMM CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736778590 598919205 /nfs/dbraw/zinc/91/92/05/598919205.db2.gz DDQZTZRMUULXAM-CQSZACIVSA-N -1 1 387.440 2.184 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCc2coc3ccccc23)cc1-c1nn[n-]n1 ZINC000737185811 598922442 /nfs/dbraw/zinc/92/24/42/598922442.db2.gz CWWORXQQDUPNDK-UHFFFAOYSA-N -1 1 382.405 2.365 20 0 GEADMM CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS1 ZINC000820045914 599373556 /nfs/dbraw/zinc/37/35/56/599373556.db2.gz OMSOOMTZHSNHPI-GFCCVEGCSA-N -1 1 387.918 2.282 20 0 GEADMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000736309799 598929878 /nfs/dbraw/zinc/92/98/78/598929878.db2.gz RGUQVXDSWZLZOD-UHFFFAOYSA-N -1 1 386.437 2.324 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1 ZINC000737301688 598930706 /nfs/dbraw/zinc/93/07/06/598930706.db2.gz QPLLHQOYSTVWHO-UHFFFAOYSA-N -1 1 398.452 2.302 20 0 GEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc21 ZINC000736731950 598931439 /nfs/dbraw/zinc/93/14/39/598931439.db2.gz UEOCYCKBULYKIA-UHFFFAOYSA-N -1 1 383.437 2.346 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)nn1 ZINC000737353371 598941907 /nfs/dbraw/zinc/94/19/07/598941907.db2.gz VVEIJSATUGUTHC-LBPRGKRZSA-N -1 1 385.863 2.119 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)nn1 ZINC000737353371 598941908 /nfs/dbraw/zinc/94/19/08/598941908.db2.gz VVEIJSATUGUTHC-LBPRGKRZSA-N -1 1 385.863 2.119 20 0 GEADMM CCOC(=O)C1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCC1 ZINC000736591060 598942961 /nfs/dbraw/zinc/94/29/61/598942961.db2.gz PYVPIBHRORQSDA-UHFFFAOYSA-N -1 1 398.423 2.022 20 0 GEADMM CCOC(=O)C1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCC1 ZINC000736591060 598942962 /nfs/dbraw/zinc/94/29/62/598942962.db2.gz PYVPIBHRORQSDA-UHFFFAOYSA-N -1 1 398.423 2.022 20 0 GEADMM C[C@H](c1cccnc1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736202281 598944386 /nfs/dbraw/zinc/94/43/86/598944386.db2.gz IGUKOFSRYNGDJI-SNVBAGLBSA-N -1 1 376.877 2.255 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000737225620 598947545 /nfs/dbraw/zinc/94/75/45/598947545.db2.gz PATHYEVUNANFFH-UHFFFAOYSA-N -1 1 398.448 2.324 20 0 GEADMM O=C(c1ccco1)N1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738285135 598956801 /nfs/dbraw/zinc/95/68/01/598956801.db2.gz CGZKUKNHDAUZNB-UHFFFAOYSA-N -1 1 390.407 2.120 20 0 GEADMM O=C(c1ccco1)N1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738285135 598956802 /nfs/dbraw/zinc/95/68/02/598956802.db2.gz CGZKUKNHDAUZNB-UHFFFAOYSA-N -1 1 390.407 2.120 20 0 GEADMM O=C(NCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000738074126 598959069 /nfs/dbraw/zinc/95/90/69/598959069.db2.gz GXEUXHHXPPNSPT-UHFFFAOYSA-N -1 1 394.826 2.305 20 0 GEADMM O=C(NCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000738074126 598959072 /nfs/dbraw/zinc/95/90/72/598959072.db2.gz GXEUXHHXPPNSPT-UHFFFAOYSA-N -1 1 394.826 2.305 20 0 GEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821668979 607255160 /nfs/dbraw/zinc/25/51/60/607255160.db2.gz SSFGBDSXPKXHMY-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1C ZINC000821669600 607255509 /nfs/dbraw/zinc/25/55/09/607255509.db2.gz UERNFOILKONYLR-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM CS(=O)(=O)Cc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737161671 598963550 /nfs/dbraw/zinc/96/35/50/598963550.db2.gz BTSGOABVTBUGQQ-UHFFFAOYSA-N -1 1 381.421 2.098 20 0 GEADMM CS(=O)(=O)Cc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737161671 598963552 /nfs/dbraw/zinc/96/35/52/598963552.db2.gz BTSGOABVTBUGQQ-UHFFFAOYSA-N -1 1 381.421 2.098 20 0 GEADMM COC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736891116 598967691 /nfs/dbraw/zinc/96/76/91/598967691.db2.gz HLRNUZWRHXVWJU-HNNXBMFYSA-N -1 1 389.419 2.487 20 0 GEADMM COC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736891116 598967693 /nfs/dbraw/zinc/96/76/93/598967693.db2.gz HLRNUZWRHXVWJU-HNNXBMFYSA-N -1 1 389.419 2.487 20 0 GEADMM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738191090 598982189 /nfs/dbraw/zinc/98/21/89/598982189.db2.gz PRCQIMSHZOOCSN-UHFFFAOYSA-N -1 1 377.408 2.140 20 0 GEADMM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738191090 598982191 /nfs/dbraw/zinc/98/21/91/598982191.db2.gz PRCQIMSHZOOCSN-UHFFFAOYSA-N -1 1 377.408 2.140 20 0 GEADMM O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738094397 598985096 /nfs/dbraw/zinc/98/50/96/598985096.db2.gz DYKVKFQAYPRGRZ-UHFFFAOYSA-N -1 1 386.799 2.006 20 0 GEADMM O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738094397 598985098 /nfs/dbraw/zinc/98/50/98/598985098.db2.gz DYKVKFQAYPRGRZ-UHFFFAOYSA-N -1 1 386.799 2.006 20 0 GEADMM CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735889179 598993396 /nfs/dbraw/zinc/99/33/96/598993396.db2.gz VYQOREFYURILCU-UHFFFAOYSA-N -1 1 385.815 2.306 20 0 GEADMM CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735889179 598993397 /nfs/dbraw/zinc/99/33/97/598993397.db2.gz VYQOREFYURILCU-UHFFFAOYSA-N -1 1 385.815 2.306 20 0 GEADMM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735888959 598993402 /nfs/dbraw/zinc/99/34/02/598993402.db2.gz SXSVGCZGQATZMJ-UHFFFAOYSA-N -1 1 385.815 2.306 20 0 GEADMM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735888959 598993403 /nfs/dbraw/zinc/99/34/03/598993403.db2.gz SXSVGCZGQATZMJ-UHFFFAOYSA-N -1 1 385.815 2.306 20 0 GEADMM O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738144991 598994817 /nfs/dbraw/zinc/99/48/17/598994817.db2.gz PQLMGIGMIUVFPR-UHFFFAOYSA-N -1 1 383.375 2.224 20 0 GEADMM O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738144991 598994819 /nfs/dbraw/zinc/99/48/19/598994819.db2.gz PQLMGIGMIUVFPR-UHFFFAOYSA-N -1 1 383.375 2.224 20 0 GEADMM O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738124623 598996419 /nfs/dbraw/zinc/99/64/19/598996419.db2.gz SFQHURHVFULUPB-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738124623 598996420 /nfs/dbraw/zinc/99/64/20/598996420.db2.gz SFQHURHVFULUPB-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=C(CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)N1CCCC1 ZINC000738158337 598997678 /nfs/dbraw/zinc/99/76/78/598997678.db2.gz DZCDDDATHTTXHE-UHFFFAOYSA-N -1 1 391.435 2.069 20 0 GEADMM O=C(CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)N1CCCC1 ZINC000738158337 598997679 /nfs/dbraw/zinc/99/76/79/598997679.db2.gz DZCDDDATHTTXHE-UHFFFAOYSA-N -1 1 391.435 2.069 20 0 GEADMM COc1cccc(-c2nsc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000737122125 599003252 /nfs/dbraw/zinc/00/32/52/599003252.db2.gz ROGBWZNYFZUNAB-UHFFFAOYSA-N -1 1 380.393 2.041 20 0 GEADMM COc1cccc(-c2nsc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000737122125 599003254 /nfs/dbraw/zinc/00/32/54/599003254.db2.gz ROGBWZNYFZUNAB-UHFFFAOYSA-N -1 1 380.393 2.041 20 0 GEADMM O=C(OCc1nnc(-c2ccccc2Cl)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243845 599003832 /nfs/dbraw/zinc/00/38/32/599003832.db2.gz AUUMKURWFHBGIY-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(OCc1nnc(-c2ccccc2Cl)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243845 599003834 /nfs/dbraw/zinc/00/38/34/599003834.db2.gz AUUMKURWFHBGIY-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(NCCCO[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738074424 599006516 /nfs/dbraw/zinc/00/65/16/599006516.db2.gz CJVFUNICRAJMLW-SFHVURJKSA-N -1 1 378.436 2.476 20 0 GEADMM O=C(NCCCO[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738074424 599006517 /nfs/dbraw/zinc/00/65/17/599006517.db2.gz CJVFUNICRAJMLW-SFHVURJKSA-N -1 1 378.436 2.476 20 0 GEADMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2)n1 ZINC000737436598 599019239 /nfs/dbraw/zinc/01/92/39/599019239.db2.gz IMZHELMRSDZNHD-UHFFFAOYSA-N -1 1 393.432 2.433 20 0 GEADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736469192 599020563 /nfs/dbraw/zinc/02/05/63/599020563.db2.gz IKSTVCIWFBRCMC-UHFFFAOYSA-N -1 1 379.424 2.061 20 0 GEADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736469192 599020565 /nfs/dbraw/zinc/02/05/65/599020565.db2.gz IKSTVCIWFBRCMC-UHFFFAOYSA-N -1 1 379.424 2.061 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735628453 599027992 /nfs/dbraw/zinc/02/79/92/599027992.db2.gz UPMCVPIEAJKBGR-SNVBAGLBSA-N -1 1 379.442 2.342 20 0 GEADMM CC(C)(COC(=O)c1sccc1-c1nn[n-]n1)N1C(=O)c2ccccc2C1=O ZINC000735671075 599028058 /nfs/dbraw/zinc/02/80/58/599028058.db2.gz LGBCTGIZUVXNSX-UHFFFAOYSA-N -1 1 397.416 2.160 20 0 GEADMM O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738208355 599036574 /nfs/dbraw/zinc/03/65/74/599036574.db2.gz LMKZNZYGSNIXIC-UHFFFAOYSA-N -1 1 380.799 2.412 20 0 GEADMM O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738208355 599036575 /nfs/dbraw/zinc/03/65/75/599036575.db2.gz LMKZNZYGSNIXIC-UHFFFAOYSA-N -1 1 380.799 2.412 20 0 GEADMM COc1cccc(Oc2ncccc2CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737142680 599050265 /nfs/dbraw/zinc/05/02/65/599050265.db2.gz YDQVPKGLXLFDJP-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM COc1cccc(Oc2ncccc2CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737142680 599050267 /nfs/dbraw/zinc/05/02/67/599050267.db2.gz YDQVPKGLXLFDJP-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000737200499 599094605 /nfs/dbraw/zinc/09/46/05/599094605.db2.gz NDJXCBHUIMEONJ-IIBYNOLFSA-N -1 1 392.463 2.363 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000737200504 599094715 /nfs/dbraw/zinc/09/47/15/599094715.db2.gz NDJXCBHUIMEONJ-KKSFZXQISA-N -1 1 392.463 2.363 20 0 GEADMM COc1ccc(-c2nc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)co2)cc1 ZINC000737058429 599138801 /nfs/dbraw/zinc/13/88/01/599138801.db2.gz XSDRWMMJLIPZLC-UHFFFAOYSA-N -1 1 378.348 2.282 20 0 GEADMM COc1ccc(-c2nc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)co2)cc1 ZINC000737058429 599138803 /nfs/dbraw/zinc/13/88/03/599138803.db2.gz XSDRWMMJLIPZLC-UHFFFAOYSA-N -1 1 378.348 2.282 20 0 GEADMM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736426649 599138989 /nfs/dbraw/zinc/13/89/89/599138989.db2.gz SPCPZLOJFRGAAM-CZUORRHYSA-N -1 1 394.435 2.465 20 0 GEADMM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736426649 599138992 /nfs/dbraw/zinc/13/89/92/599138992.db2.gz SPCPZLOJFRGAAM-CZUORRHYSA-N -1 1 394.435 2.465 20 0 GEADMM Cc1cc2oc(=O)cc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)c2cc1C ZINC000737285432 599141783 /nfs/dbraw/zinc/14/17/83/599141783.db2.gz RRKFPEDADBYJIL-UHFFFAOYSA-N -1 1 377.360 2.342 20 0 GEADMM Cc1cc2oc(=O)cc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)c2cc1C ZINC000737285432 599141785 /nfs/dbraw/zinc/14/17/85/599141785.db2.gz RRKFPEDADBYJIL-UHFFFAOYSA-N -1 1 377.360 2.342 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCc1cccs1 ZINC000822004445 599200361 /nfs/dbraw/zinc/20/03/61/599200361.db2.gz HLYAXVBCYKNAMZ-UHFFFAOYSA-N -1 1 386.481 2.279 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(C(F)(F)F)CC1 ZINC000822004282 599201796 /nfs/dbraw/zinc/20/17/96/599201796.db2.gz DYUKLUSQOSBWJE-UHFFFAOYSA-N -1 1 398.389 2.318 20 0 GEADMM O=C([O-])C[C@@H]1CCCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000819357550 597125386 /nfs/dbraw/zinc/12/53/86/597125386.db2.gz DAJOLNGDONCIBK-KRWDZBQOSA-N -1 1 381.517 2.165 20 0 GEADMM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000327522984 597312440 /nfs/dbraw/zinc/31/24/40/597312440.db2.gz WACUAHWLTYIOAU-UHFFFAOYSA-N -1 1 380.809 2.263 20 0 GEADMM O=C(C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1)N1CCCC1 ZINC000737790080 599263182 /nfs/dbraw/zinc/26/31/82/599263182.db2.gz FDQVMLFYKVNORL-UHFFFAOYSA-N -1 1 377.452 2.254 20 0 GEADMM O=C(C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1)N1CCCC1 ZINC000737790080 599263187 /nfs/dbraw/zinc/26/31/87/599263187.db2.gz FDQVMLFYKVNORL-UHFFFAOYSA-N -1 1 377.452 2.254 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000532677541 597467559 /nfs/dbraw/zinc/46/75/59/597467559.db2.gz XIRVGDZNONQTCO-GFCCVEGCSA-N -1 1 392.433 2.041 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@H](O)C1 ZINC000823493508 607315528 /nfs/dbraw/zinc/31/55/28/607315528.db2.gz OURBNPLLADQSSJ-AWEZNQCLSA-N -1 1 384.465 2.137 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@H](CO)C1 ZINC000823493940 607315627 /nfs/dbraw/zinc/31/56/27/607315627.db2.gz WLHJPIROKHZDAF-ZDUSSCGKSA-N -1 1 398.492 2.385 20 0 GEADMM CCC(CC)C(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000736336161 599266294 /nfs/dbraw/zinc/26/62/94/599266294.db2.gz ADOHZCKNACHGJJ-UHFFFAOYSA-N -1 1 379.468 2.500 20 0 GEADMM CCC(CC)C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736336161 599266296 /nfs/dbraw/zinc/26/62/96/599266296.db2.gz ADOHZCKNACHGJJ-UHFFFAOYSA-N -1 1 379.468 2.500 20 0 GEADMM CC(C)[C@@H](NC(=O)CN1CC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262641278 597530617 /nfs/dbraw/zinc/53/06/17/597530617.db2.gz JALUEUICSFZYFE-DNVCBOLYSA-N -1 1 376.453 2.068 20 0 GEADMM CC(=O)NCCN(Cc1cn(-c2ccc(Cl)cc2)nc1C)[C@@H](C)C(=O)[O-] ZINC000414673291 597703915 /nfs/dbraw/zinc/70/39/15/597703915.db2.gz CWHGNNCUBOFFBS-ZDUSSCGKSA-N -1 1 378.860 2.245 20 0 GEADMM CCc1ccccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821492561 607322617 /nfs/dbraw/zinc/32/26/17/607322617.db2.gz RMSHYHZXZMJMAS-UHFFFAOYSA-N -1 1 393.451 2.257 20 0 GEADMM C[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(Br)cc1 ZINC000820225273 607324007 /nfs/dbraw/zinc/32/40/07/607324007.db2.gz FIYLDLFKCNYMRK-QMMMGPOBSA-N -1 1 376.218 2.242 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ncccc1Br ZINC000822224124 607326079 /nfs/dbraw/zinc/32/60/79/607326079.db2.gz WZCXSBBAWLHZLK-UHFFFAOYSA-N -1 1 395.242 2.133 20 0 GEADMM CC1(C)CN=C(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)S1 ZINC000820606931 607328450 /nfs/dbraw/zinc/32/84/50/607328450.db2.gz GDOFNMMHGJZSBE-UHFFFAOYSA-N -1 1 394.508 2.418 20 0 GEADMM COCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1cccs1 ZINC000821688884 607324952 /nfs/dbraw/zinc/32/49/52/607324952.db2.gz AQHIBZVKVGNHAG-UHFFFAOYSA-N -1 1 390.469 2.225 20 0 GEADMM Cc1oc(NC(=O)CN(C)C[C@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737553440 598258768 /nfs/dbraw/zinc/25/87/68/598258768.db2.gz WBEVZNWGSGFIJL-MRXNPFEDSA-N -1 1 396.451 2.261 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736369459 598261765 /nfs/dbraw/zinc/26/17/65/598261765.db2.gz NCKXQMIZRHPGNP-ZDUSSCGKSA-N -1 1 378.845 2.345 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736369459 598261767 /nfs/dbraw/zinc/26/17/67/598261767.db2.gz NCKXQMIZRHPGNP-ZDUSSCGKSA-N -1 1 378.845 2.345 20 0 GEADMM C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736201221 598263588 /nfs/dbraw/zinc/26/35/88/598263588.db2.gz WECWMAZRDVZFNQ-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736201221 598263589 /nfs/dbraw/zinc/26/35/89/598263589.db2.gz WECWMAZRDVZFNQ-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM CCC1CCC(N(C2CC2)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736394664 598265770 /nfs/dbraw/zinc/26/57/70/598265770.db2.gz CLZCDZASJAOHGI-UHFFFAOYSA-N -1 1 376.486 2.384 20 0 GEADMM CCC1CCC(N(C2CC2)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736394664 598265772 /nfs/dbraw/zinc/26/57/72/598265772.db2.gz CLZCDZASJAOHGI-UHFFFAOYSA-N -1 1 376.486 2.384 20 0 GEADMM C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736200447 598267102 /nfs/dbraw/zinc/26/71/02/598267102.db2.gz SGTUFQSWUGWVRI-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736200447 598267104 /nfs/dbraw/zinc/26/71/04/598267104.db2.gz SGTUFQSWUGWVRI-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM CC1(C)CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000736210880 598269920 /nfs/dbraw/zinc/26/99/20/598269920.db2.gz KCURINBBIVVIEP-OAHLLOKOSA-N -1 1 384.465 2.353 20 0 GEADMM CC1(C)CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000736210880 598269922 /nfs/dbraw/zinc/26/99/22/598269922.db2.gz KCURINBBIVVIEP-OAHLLOKOSA-N -1 1 384.465 2.353 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1CC1CCCCC1 ZINC000738356053 598271615 /nfs/dbraw/zinc/27/16/15/598271615.db2.gz WFQHNPYOCCUHTL-AWEZNQCLSA-N -1 1 376.486 2.385 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1CC1CCCCC1 ZINC000738356053 598271616 /nfs/dbraw/zinc/27/16/16/598271616.db2.gz WFQHNPYOCCUHTL-AWEZNQCLSA-N -1 1 376.486 2.385 20 0 GEADMM C[C@@H]1CN(c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cn2)CCO1 ZINC000736289897 598276547 /nfs/dbraw/zinc/27/65/47/598276547.db2.gz OJRMBVSLTQFKBI-LLVKDONJSA-N -1 1 386.847 2.147 20 0 GEADMM C[C@@H]1CN(c2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cn2)CCO1 ZINC000736289897 598276549 /nfs/dbraw/zinc/27/65/49/598276549.db2.gz OJRMBVSLTQFKBI-LLVKDONJSA-N -1 1 386.847 2.147 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(c2ccccc2)CC1 ZINC000737201079 598328464 /nfs/dbraw/zinc/32/84/64/598328464.db2.gz QCFDMIOECAFLCC-UHFFFAOYSA-N -1 1 378.436 2.322 20 0 GEADMM CCc1nn(C[C@@H](O)c2ccc3ccccc3c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706040 598374039 /nfs/dbraw/zinc/37/40/39/598374039.db2.gz SHFBYMYLVVCRMG-GOSISDBHSA-N -1 1 390.447 2.435 20 0 GEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@H](O)COC(C)C)n1 ZINC000737246486 598375795 /nfs/dbraw/zinc/37/57/95/598375795.db2.gz VDWDJJIBFNUBHU-SECBINFHSA-N -1 1 377.392 2.467 20 0 GEADMM CCc1nn(CC(=O)c2cc(C)c(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706034 598377545 /nfs/dbraw/zinc/37/75/45/598377545.db2.gz SEWUXLZAYYNWCT-UHFFFAOYSA-N -1 1 380.452 2.356 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000737199293 598398775 /nfs/dbraw/zinc/39/87/75/598398775.db2.gz GIZIOOWXPVGDCN-MRXNPFEDSA-N -1 1 396.426 2.460 20 0 GEADMM COC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736919730 598400103 /nfs/dbraw/zinc/40/01/03/598400103.db2.gz WYOGGDVRPXKWKK-UHFFFAOYSA-N -1 1 385.355 2.043 20 0 GEADMM COC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736919730 598400104 /nfs/dbraw/zinc/40/01/04/598400104.db2.gz WYOGGDVRPXKWKK-UHFFFAOYSA-N -1 1 385.355 2.043 20 0 GEADMM Cc1cccc(N(C)C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c1 ZINC000737397294 598418630 /nfs/dbraw/zinc/41/86/30/598418630.db2.gz UKIFDQQGPZMFQA-UHFFFAOYSA-N -1 1 390.451 2.430 20 0 GEADMM Cc1cccc(N(C)C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c1 ZINC000737397294 598418632 /nfs/dbraw/zinc/41/86/32/598418632.db2.gz UKIFDQQGPZMFQA-UHFFFAOYSA-N -1 1 390.451 2.430 20 0 GEADMM Cc1nn(CCOc2ccc(C(F)(F)F)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737516183 598420175 /nfs/dbraw/zinc/42/01/75/598420175.db2.gz CVHPSQNMOCKCCF-UHFFFAOYSA-N -1 1 380.330 2.138 20 0 GEADMM CC(=O)c1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000735499222 598503448 /nfs/dbraw/zinc/50/34/48/598503448.db2.gz MOPJNJWWSCTEAE-UHFFFAOYSA-N -1 1 388.387 2.023 20 0 GEADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737615725 598516253 /nfs/dbraw/zinc/51/62/53/598516253.db2.gz KUGCDBFAYAHOCO-UHFFFAOYSA-N -1 1 381.421 2.068 20 0 GEADMM CCC(=O)c1ccc(OCCCCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736309506 598528417 /nfs/dbraw/zinc/52/84/17/598528417.db2.gz PMXIDVWIBBFMOM-UHFFFAOYSA-N -1 1 383.412 2.128 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3ncccc3c2)cc1-c1nn[n-]n1 ZINC000737186593 598529123 /nfs/dbraw/zinc/52/91/23/598529123.db2.gz KACACKAXLHLRST-UHFFFAOYSA-N -1 1 379.405 2.490 20 0 GEADMM Cc1oc(NC(=O)COC(=O)Cc2cccc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000737552750 598531215 /nfs/dbraw/zinc/53/12/15/598531215.db2.gz QIOBRKHMYKJYRW-UHFFFAOYSA-N -1 1 389.799 2.454 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820390582 607360502 /nfs/dbraw/zinc/36/05/02/607360502.db2.gz IUBYCOIFYBYYJL-CLAHSXSESA-N -1 1 393.234 2.420 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820390582 607360505 /nfs/dbraw/zinc/36/05/05/607360505.db2.gz IUBYCOIFYBYYJL-CLAHSXSESA-N -1 1 393.234 2.420 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820390584 607360700 /nfs/dbraw/zinc/36/07/00/607360700.db2.gz IUBYCOIFYBYYJL-RTHLEPHNSA-N -1 1 393.234 2.420 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820390584 607360702 /nfs/dbraw/zinc/36/07/02/607360702.db2.gz IUBYCOIFYBYYJL-RTHLEPHNSA-N -1 1 393.234 2.420 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2ccccc2)no1 ZINC000737486771 598607569 /nfs/dbraw/zinc/60/75/69/598607569.db2.gz DIOZUZOVWNZMSJ-UHFFFAOYSA-N -1 1 387.407 2.361 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2ccccc2)no1 ZINC000737486771 598607570 /nfs/dbraw/zinc/60/75/70/598607570.db2.gz DIOZUZOVWNZMSJ-UHFFFAOYSA-N -1 1 387.407 2.361 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(Cc2ccccc2)no1 ZINC000737199948 598608400 /nfs/dbraw/zinc/60/84/00/598608400.db2.gz QJXYVCBBPCPLOE-UHFFFAOYSA-N -1 1 377.408 2.343 20 0 GEADMM CCc1nn(CC(=O)c2c(C)cc(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704945 598641411 /nfs/dbraw/zinc/64/14/11/598641411.db2.gz AUNXMRGMANSMPO-UHFFFAOYSA-N -1 1 380.452 2.356 20 0 GEADMM CCc1nn(Cc2nc3cc(Cl)ccc3n2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705944 598641792 /nfs/dbraw/zinc/64/17/92/598641792.db2.gz DJWLCEPOYGIVFK-UHFFFAOYSA-N -1 1 398.858 2.137 20 0 GEADMM CCc1nn(Cc2nc3cc(F)ccc3n2CC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706990 598642637 /nfs/dbraw/zinc/64/26/37/598642637.db2.gz NXHJFWMUPHSKJZ-UHFFFAOYSA-N -1 1 396.430 2.105 20 0 GEADMM O=C(NCCCNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738075881 598675909 /nfs/dbraw/zinc/67/59/09/598675909.db2.gz MRUOWAPHYBODPY-UHFFFAOYSA-N -1 1 381.824 2.348 20 0 GEADMM O=C(NCCCNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738075881 598675911 /nfs/dbraw/zinc/67/59/11/598675911.db2.gz MRUOWAPHYBODPY-UHFFFAOYSA-N -1 1 381.824 2.348 20 0 GEADMM COc1ccc2c(c1)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC2 ZINC000821850227 607364628 /nfs/dbraw/zinc/36/46/28/607364628.db2.gz ZSTNJMDJMSMAIQ-UHFFFAOYSA-N -1 1 382.424 2.082 20 0 GEADMM C[C@@H](CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736002619 598694617 /nfs/dbraw/zinc/69/46/17/598694617.db2.gz RMEPFMFHJBCXDL-LBPRGKRZSA-N -1 1 375.429 2.430 20 0 GEADMM CC(C)N(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C1CCCC1 ZINC000735850763 598718841 /nfs/dbraw/zinc/71/88/41/598718841.db2.gz HFEOORSLUXQOKV-UHFFFAOYSA-N -1 1 380.452 2.361 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(-c3ccsc3)no2)c2ccccc12 ZINC000738372791 598720823 /nfs/dbraw/zinc/72/08/23/598720823.db2.gz VUJBQXPZFYFSMY-UHFFFAOYSA-N -1 1 377.389 2.341 20 0 GEADMM CCc1nnc([C@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000736708352 598722902 /nfs/dbraw/zinc/72/29/02/598722902.db2.gz WEWBZOSIQYIEFK-JTQLQIEISA-N -1 1 383.368 2.422 20 0 GEADMM CCc1nnc([C@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000736708352 598722903 /nfs/dbraw/zinc/72/29/03/598722903.db2.gz WEWBZOSIQYIEFK-JTQLQIEISA-N -1 1 383.368 2.422 20 0 GEADMM CCS[C@H]1CCCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736663313 598748722 /nfs/dbraw/zinc/74/87/22/598748722.db2.gz CYHNRARWEMKPGY-NSHDSACASA-N -1 1 385.490 2.302 20 0 GEADMM CCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736665324 598768345 /nfs/dbraw/zinc/76/83/45/598768345.db2.gz GXPFIXBRMQIREM-NSHDSACASA-N -1 1 390.494 2.413 20 0 GEADMM CCSc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736665324 598768347 /nfs/dbraw/zinc/76/83/47/598768347.db2.gz GXPFIXBRMQIREM-NSHDSACASA-N -1 1 390.494 2.413 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737552398 598787865 /nfs/dbraw/zinc/78/78/65/598787865.db2.gz OYEHTCQMZFVQKK-CQSZACIVSA-N -1 1 381.392 2.288 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@H]2CCC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737552885 598800741 /nfs/dbraw/zinc/80/07/41/598800741.db2.gz RTQMGAKNOGDNBW-MFKMUULPSA-N -1 1 391.428 2.154 20 0 GEADMM COc1cc(OC)cc([C@@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737051385 599305957 /nfs/dbraw/zinc/30/59/57/599305957.db2.gz IYDXEYHOYMAZGI-ZDUSSCGKSA-N -1 1 376.804 2.078 20 0 GEADMM COc1cc(OC)cc([C@@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737051385 599305959 /nfs/dbraw/zinc/30/59/59/599305959.db2.gz IYDXEYHOYMAZGI-ZDUSSCGKSA-N -1 1 376.804 2.078 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000820438663 599322370 /nfs/dbraw/zinc/32/23/70/599322370.db2.gz UIKFQXYKWXPSSB-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ccccc2C1 ZINC000738356195 599334032 /nfs/dbraw/zinc/33/40/32/599334032.db2.gz YIVCFQBCXTWORA-UHFFFAOYSA-N -1 1 375.841 2.267 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccncc1 ZINC000823601054 599336473 /nfs/dbraw/zinc/33/64/73/599336473.db2.gz PAWPAIKCJWLEAY-CQSZACIVSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(Cc1ccccn1)C1CC1 ZINC000823601191 599337311 /nfs/dbraw/zinc/33/73/11/599337311.db2.gz VLILMCLDWTZHTC-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM CCN(CCc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821215813 599340626 /nfs/dbraw/zinc/34/06/26/599340626.db2.gz VONREEDIUAAWFV-UHFFFAOYSA-N -1 1 381.458 2.321 20 0 GEADMM CCN(CCc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821215813 599340629 /nfs/dbraw/zinc/34/06/29/599340629.db2.gz VONREEDIUAAWFV-UHFFFAOYSA-N -1 1 381.458 2.321 20 0 GEADMM O=C1O[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CN1c1ccccc1 ZINC000738318528 599340725 /nfs/dbraw/zinc/34/07/25/599340725.db2.gz KCZWNWYYMKCEIY-AWEZNQCLSA-N -1 1 388.387 2.207 20 0 GEADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1(C)C ZINC000821361666 599344972 /nfs/dbraw/zinc/34/49/72/599344972.db2.gz WBZOKIACGXMFNB-KGLIPLIRSA-N -1 1 399.904 2.344 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOc2cc(F)ccc21 ZINC000823600440 599345809 /nfs/dbraw/zinc/34/58/09/599345809.db2.gz HWWOKHPTXAULJS-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820665164 599350504 /nfs/dbraw/zinc/35/05/04/599350504.db2.gz DRJXRLKQQSTHFJ-DVOMOZLQSA-N -1 1 384.465 2.217 20 0 GEADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820665164 599350507 /nfs/dbraw/zinc/35/05/07/599350507.db2.gz DRJXRLKQQSTHFJ-DVOMOZLQSA-N -1 1 384.465 2.217 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOC2(CCCCC2)C1 ZINC000823606475 599362134 /nfs/dbraw/zinc/36/21/34/599362134.db2.gz IKBSFJOVIQYVAF-UHFFFAOYSA-N -1 1 397.888 2.244 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOC2(CCCCC2)C1 ZINC000823606475 599362137 /nfs/dbraw/zinc/36/21/37/599362137.db2.gz IKBSFJOVIQYVAF-UHFFFAOYSA-N -1 1 397.888 2.244 20 0 GEADMM CCC(CC)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000820887637 599371351 /nfs/dbraw/zinc/37/13/51/599371351.db2.gz KBCAXBWURNBMQW-UHFFFAOYSA-N -1 1 386.481 2.298 20 0 GEADMM CCC(CC)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000820887637 599371353 /nfs/dbraw/zinc/37/13/53/599371353.db2.gz KBCAXBWURNBMQW-UHFFFAOYSA-N -1 1 386.481 2.298 20 0 GEADMM CCN(CC)Cc1nc(C2(NCc3ccc(-c4nnn[n-]4)o3)CCCC2)no1 ZINC000821197895 599459828 /nfs/dbraw/zinc/45/98/28/599459828.db2.gz NQEDJAIDWHOHKF-UHFFFAOYSA-N -1 1 386.460 2.244 20 0 GEADMM CCN(CC)Cc1nc(C2(NCc3ccc(-c4nn[n-]n4)o3)CCCC2)no1 ZINC000821197895 599459830 /nfs/dbraw/zinc/45/98/30/599459830.db2.gz NQEDJAIDWHOHKF-UHFFFAOYSA-N -1 1 386.460 2.244 20 0 GEADMM CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1 ZINC000820635778 599492031 /nfs/dbraw/zinc/49/20/31/599492031.db2.gz NJWRRUNPTPEEQN-CQSZACIVSA-N -1 1 399.798 2.380 20 0 GEADMM CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1 ZINC000820635778 599492032 /nfs/dbraw/zinc/49/20/32/599492032.db2.gz NJWRRUNPTPEEQN-CQSZACIVSA-N -1 1 399.798 2.380 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000821969553 599494488 /nfs/dbraw/zinc/49/44/88/599494488.db2.gz BJUQJADWVWOGAS-CYBMUJFWSA-N -1 1 386.412 2.416 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737187759 599495714 /nfs/dbraw/zinc/49/57/14/599495714.db2.gz UESWNGXPMNKZLM-OTYXRUKQSA-N -1 1 382.449 2.353 20 0 GEADMM CCN(CC)C(=O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821170295 599502837 /nfs/dbraw/zinc/50/28/37/599502837.db2.gz PDBVIXCCOVYSHM-UHFFFAOYSA-N -1 1 379.468 2.500 20 0 GEADMM CCN(CC)C(=O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821170295 599502840 /nfs/dbraw/zinc/50/28/40/599502840.db2.gz PDBVIXCCOVYSHM-UHFFFAOYSA-N -1 1 379.468 2.500 20 0 GEADMM O=C(NCCCNc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(O)c1 ZINC000823190681 599517424 /nfs/dbraw/zinc/51/74/24/599517424.db2.gz CCMZGNZFLDBVIZ-UHFFFAOYSA-N -1 1 389.419 2.353 20 0 GEADMM O=C(NCCCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc(O)c1 ZINC000823190681 599517427 /nfs/dbraw/zinc/51/74/27/599517427.db2.gz CCMZGNZFLDBVIZ-UHFFFAOYSA-N -1 1 389.419 2.353 20 0 GEADMM O=C(Cc1cccc(OC(F)(F)F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826423140 607382269 /nfs/dbraw/zinc/38/22/69/607382269.db2.gz ABPAYNCAVARALV-UHFFFAOYSA-N -1 1 379.298 2.446 20 0 GEADMM O=C(Cc1cccc(OC(F)(F)F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826423140 607382271 /nfs/dbraw/zinc/38/22/71/607382271.db2.gz ABPAYNCAVARALV-UHFFFAOYSA-N -1 1 379.298 2.446 20 0 GEADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821619219 599532201 /nfs/dbraw/zinc/53/22/01/599532201.db2.gz NZIZZBWJDWYWKM-CQSZACIVSA-N -1 1 387.451 2.310 20 0 GEADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821619219 599532205 /nfs/dbraw/zinc/53/22/05/599532205.db2.gz NZIZZBWJDWYWKM-CQSZACIVSA-N -1 1 387.451 2.310 20 0 GEADMM Cn1c(CCNc2c3ccccc3nnc2-c2nnn[n-]2)nc2ccc(F)cc21 ZINC000822596461 599564908 /nfs/dbraw/zinc/56/49/08/599564908.db2.gz KINDCCIRJBFXRP-UHFFFAOYSA-N -1 1 389.398 2.490 20 0 GEADMM Cn1c(CCNc2c3ccccc3nnc2-c2nn[n-]n2)nc2ccc(F)cc21 ZINC000822596461 599564911 /nfs/dbraw/zinc/56/49/11/599564911.db2.gz KINDCCIRJBFXRP-UHFFFAOYSA-N -1 1 389.398 2.490 20 0 GEADMM FC(F)(F)c1nnc2n1CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000822728412 599569124 /nfs/dbraw/zinc/56/91/24/599569124.db2.gz IICPWSFSCSPCIG-UHFFFAOYSA-N -1 1 387.329 2.045 20 0 GEADMM FC(F)(F)c1nnc2n1CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC000822728412 599569127 /nfs/dbraw/zinc/56/91/27/599569127.db2.gz IICPWSFSCSPCIG-UHFFFAOYSA-N -1 1 387.329 2.045 20 0 GEADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821611237 599569287 /nfs/dbraw/zinc/56/92/87/599569287.db2.gz WYVGPIWJZSTNIB-UHFFFAOYSA-N -1 1 394.460 2.455 20 0 GEADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821611237 599569290 /nfs/dbraw/zinc/56/92/90/599569290.db2.gz WYVGPIWJZSTNIB-UHFFFAOYSA-N -1 1 394.460 2.455 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819939394 599626643 /nfs/dbraw/zinc/62/66/43/599626643.db2.gz AOWHDQBQQFWXPL-RISCZKNCSA-N -1 1 388.428 2.112 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819939394 599626644 /nfs/dbraw/zinc/62/66/44/599626644.db2.gz AOWHDQBQQFWXPL-RISCZKNCSA-N -1 1 388.428 2.112 20 0 GEADMM CCN(CC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(=O)OC(C)(C)C ZINC000821207278 599687209 /nfs/dbraw/zinc/68/72/09/599687209.db2.gz KCRQCACCYGUEKH-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM CCN(CC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(=O)OC(C)(C)C ZINC000821207278 599687210 /nfs/dbraw/zinc/68/72/10/599687210.db2.gz KCRQCACCYGUEKH-UHFFFAOYSA-N -1 1 388.476 2.130 20 0 GEADMM CC(C)CO[C@H](C)c1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000820097156 599689452 /nfs/dbraw/zinc/68/94/52/599689452.db2.gz KNZVRLUICNTVHY-GFCCVEGCSA-N -1 1 395.423 2.347 20 0 GEADMM CN1CCN(c2ccc(Br)cc2NC(=O)CCCNC(=O)[O-])CC1 ZINC000737528543 599711652 /nfs/dbraw/zinc/71/16/52/599711652.db2.gz HJCAPOKFMBAEDH-UHFFFAOYSA-N -1 1 399.289 2.187 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC(N3CCc4ccccc4C3)CC2)o1 ZINC000740173182 599771944 /nfs/dbraw/zinc/77/19/44/599771944.db2.gz IRWHYUATNUOUBB-UHFFFAOYSA-N -1 1 390.461 2.189 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)o1 ZINC000740175712 599776161 /nfs/dbraw/zinc/77/61/61/599776161.db2.gz WHLRCQAOTVAMEJ-GFCCVEGCSA-N -1 1 384.479 2.230 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000738635967 599782431 /nfs/dbraw/zinc/78/24/31/599782431.db2.gz JJINFKKKLZSVIS-LLVKDONJSA-N -1 1 382.463 2.308 20 0 GEADMM O=C([O-])C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1cccs1 ZINC000739626846 599816430 /nfs/dbraw/zinc/81/64/30/599816430.db2.gz LIXYVXVAYBVQQE-ZDUSSCGKSA-N -1 1 386.433 2.077 20 0 GEADMM C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736741337 599840145 /nfs/dbraw/zinc/84/01/45/599840145.db2.gz KJWPZMSWZCUPHQ-KSSFIOAISA-N -1 1 379.844 2.394 20 0 GEADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737361832 599876711 /nfs/dbraw/zinc/87/67/11/599876711.db2.gz WHKJPUJBOQAEQG-GOSISDBHSA-N -1 1 383.448 2.061 20 0 GEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000738473353 599954803 /nfs/dbraw/zinc/95/48/03/599954803.db2.gz NYUYYQTUPSPQMB-GFCCVEGCSA-N -1 1 396.403 2.092 20 0 GEADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000610783949 600006229 /nfs/dbraw/zinc/00/62/29/600006229.db2.gz BERGNGMFMVDKFV-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM C[C@@H](CN(Cc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1)C(=O)[O-] ZINC000574883847 600024225 /nfs/dbraw/zinc/02/42/25/600024225.db2.gz JJXSJFHNFCVXAZ-AWEZNQCLSA-N -1 1 387.461 2.231 20 0 GEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000738149149 600029156 /nfs/dbraw/zinc/02/91/56/600029156.db2.gz NNZGZFUOTVSJRU-ZDUSSCGKSA-N -1 1 385.420 2.254 20 0 GEADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCC(C(=O)[O-])CC2)c1 ZINC000262647004 600034008 /nfs/dbraw/zinc/03/40/08/600034008.db2.gz KGFHRTQCBVIYCE-QGZVFWFLSA-N -1 1 376.453 2.164 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000738551183 600049225 /nfs/dbraw/zinc/04/92/25/600049225.db2.gz HJFGENWAUCVAHB-GOSISDBHSA-N -1 1 383.448 2.359 20 0 GEADMM CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(C)c(C(=O)[O-])s3)ccc21 ZINC000736133904 600054171 /nfs/dbraw/zinc/05/41/71/600054171.db2.gz GLDFPFLWQWDEQS-UHFFFAOYSA-N -1 1 395.462 2.250 20 0 GEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccccc1N1CCCC1=O ZINC000740143091 600095053 /nfs/dbraw/zinc/09/50/53/600095053.db2.gz BKFJQBXYIABZSQ-UHFFFAOYSA-N -1 1 378.381 2.452 20 0 GEADMM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(C)c1 ZINC000737124123 600097463 /nfs/dbraw/zinc/09/74/63/600097463.db2.gz XKIHEFBXCFWFIH-UHFFFAOYSA-N -1 1 380.397 2.383 20 0 GEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000649464956 600109808 /nfs/dbraw/zinc/10/98/08/600109808.db2.gz BMMFEYRZATVCNB-HZPDHXFCSA-N -1 1 399.413 2.054 20 0 GEADMM Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000738260553 600120016 /nfs/dbraw/zinc/12/00/16/600120016.db2.gz BNHINSRMZRQAHG-HXUWFJFHSA-N -1 1 397.475 2.295 20 0 GEADMM CN(CC(=O)Nc1cc2ccccc2cc1C(=O)[O-])c1ncnc2[nH]cnc21 ZINC000737394338 600126639 /nfs/dbraw/zinc/12/66/39/600126639.db2.gz DJBFHDVUVYXYQD-UHFFFAOYSA-N -1 1 376.376 2.279 20 0 GEADMM Cc1nn(C)c(NS(=O)(=O)c2ccc(Br)cc2C(=O)[O-])c1C ZINC000738919572 600126962 /nfs/dbraw/zinc/12/69/62/600126962.db2.gz WMBJQGXRVGLHRR-UHFFFAOYSA-N -1 1 388.243 2.298 20 0 GEADMM CN(CCCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000737426784 600153619 /nfs/dbraw/zinc/15/36/19/600153619.db2.gz ZIGMCZWXZZCYES-UHFFFAOYSA-N -1 1 396.919 2.358 20 0 GEADMM CCN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000652412754 600156929 /nfs/dbraw/zinc/15/69/29/600156929.db2.gz ZXLZLGGKEDJLSK-UYAOXDASSA-N -1 1 398.459 2.252 20 0 GEADMM COc1cc(C=CC(=O)[O-])ccc1OC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000737870668 600168952 /nfs/dbraw/zinc/16/89/52/600168952.db2.gz GTJOSIMXPZYXEQ-ALCCZGGFSA-N -1 1 397.387 2.306 20 0 GEADMM Cc1cc(NC(=O)C(=O)NCc2ccc(F)c(CN(C)C)c2)ccc1C(=O)[O-] ZINC000738416793 600200511 /nfs/dbraw/zinc/20/05/11/600200511.db2.gz VPIAOMPTYSYGKA-UHFFFAOYSA-N -1 1 387.411 2.149 20 0 GEADMM CN1CCC(N(Cc2ccco2)S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000737515399 600222246 /nfs/dbraw/zinc/22/22/46/600222246.db2.gz UPGRHJKYFFBHOK-UHFFFAOYSA-N -1 1 392.477 2.404 20 0 GEADMM Cc1[nH]nc(S(=O)(=O)Nc2ccc(F)cc2Br)c1C(=O)[O-] ZINC000738829203 600232691 /nfs/dbraw/zinc/23/26/91/600232691.db2.gz MFJAVWXVLOOOPR-UHFFFAOYSA-N -1 1 378.179 2.119 20 0 GEADMM C[C@@H](CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000390531146 600234045 /nfs/dbraw/zinc/23/40/45/600234045.db2.gz IPUGXRIZKVEXHF-HNNXBMFYSA-N -1 1 376.478 2.325 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cncn3)c(F)c2)c(F)cc1F ZINC000740089894 600234407 /nfs/dbraw/zinc/23/44/07/600234407.db2.gz MRUWTCPAMRSAQX-UHFFFAOYSA-N -1 1 398.322 2.184 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c(F)cc1F ZINC000740089755 600236037 /nfs/dbraw/zinc/23/60/37/600236037.db2.gz KJYSXKKXDUOEIS-UHFFFAOYSA-N -1 1 394.359 2.104 20 0 GEADMM Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738292074 600254904 /nfs/dbraw/zinc/25/49/04/600254904.db2.gz YLSMTABRZYZUEP-UHFFFAOYSA-N -1 1 389.476 2.100 20 0 GEADMM CCOc1cc(C(=O)Nc2ccn(-c3ccncc3)n2)ccc1OCC(=O)[O-] ZINC000737185850 600257707 /nfs/dbraw/zinc/25/77/07/600257707.db2.gz AMTUQIHTGOGRNF-UHFFFAOYSA-N -1 1 382.376 2.382 20 0 GEADMM CN(CC(=O)[O-])C(=O)CCN(Cc1cc(Br)ccc1F)C1CC1 ZINC000737403260 600293277 /nfs/dbraw/zinc/29/32/77/600293277.db2.gz VNTRJGDXFYTVPP-UHFFFAOYSA-N -1 1 387.249 2.486 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737362682 600297856 /nfs/dbraw/zinc/29/78/56/600297856.db2.gz YIFWIVWZOWIZGK-INIZCTEOSA-N -1 1 389.839 2.396 20 0 GEADMM O=C([O-])c1cc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000739472079 600305754 /nfs/dbraw/zinc/30/57/54/600305754.db2.gz MSCAATWWTZNSFA-MRXNPFEDSA-N -1 1 399.422 2.243 20 0 GEADMM O=C([O-])CN(CCN1CCOCC1)Cc1cc(Cl)ccc1OC(F)F ZINC000739789575 600316368 /nfs/dbraw/zinc/31/63/68/600316368.db2.gz CIHIXGVDOZJBRW-UHFFFAOYSA-N -1 1 378.803 2.160 20 0 GEADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](c2ccco2)C1 ZINC000739278565 600325589 /nfs/dbraw/zinc/32/55/89/600325589.db2.gz QDEWUAKHHITLPV-KSSFIOAISA-N -1 1 381.432 2.362 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cn3cncn3)c2)c(F)cc1F ZINC000740089937 600341480 /nfs/dbraw/zinc/34/14/80/600341480.db2.gz OMOSEPUJPNUJDY-UHFFFAOYSA-N -1 1 394.359 2.104 20 0 GEADMM COc1ccnc(N2CCN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CC2)c1 ZINC000738143568 600348608 /nfs/dbraw/zinc/34/86/08/600348608.db2.gz RCUVHVMTJALSGF-UHFFFAOYSA-N -1 1 385.424 2.212 20 0 GEADMM CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737385338 600349064 /nfs/dbraw/zinc/34/90/64/600349064.db2.gz ALHXIKNTTBSQAT-LBPRGKRZSA-N -1 1 380.491 2.457 20 0 GEADMM Cc1cc(I)ccc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000042707388 600366572 /nfs/dbraw/zinc/36/65/72/600366572.db2.gz DJPSYDWUEKHIAS-JTQLQIEISA-N -1 1 390.221 2.191 20 0 GEADMM COC(=O)c1c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000737652746 600370457 /nfs/dbraw/zinc/37/04/57/600370457.db2.gz WVPSLSBBDOURDD-QWRGUYRKSA-N -1 1 382.482 2.251 20 0 GEADMM O=C([O-])c1cc(NC(=O)N2CCC(CCN3CCOCC3)CC2)ccc1F ZINC000740082137 600391731 /nfs/dbraw/zinc/39/17/31/600391731.db2.gz VLIJDDUMQGKTQR-UHFFFAOYSA-N -1 1 379.432 2.490 20 0 GEADMM O=C([O-])[C@@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000739248199 600455105 /nfs/dbraw/zinc/45/51/05/600455105.db2.gz BZDSHQAEINNGIY-KRWDZBQOSA-N -1 1 385.351 2.191 20 0 GEADMM O=C(CN1CCN(C2CCC2)CC1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739290060 600509239 /nfs/dbraw/zinc/50/92/39/600509239.db2.gz PEMDAWXOGQRGLD-UHFFFAOYSA-N -1 1 377.510 2.434 20 0 GEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000609219684 600545188 /nfs/dbraw/zinc/54/51/88/600545188.db2.gz LOGPHKYSPDUPJC-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cccc1C(=O)[O-] ZINC000738302578 600550057 /nfs/dbraw/zinc/55/00/57/600550057.db2.gz SDBWYQWEVHJJCL-KRWDZBQOSA-N -1 1 395.459 2.413 20 0 GEADMM COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1C(=O)[O-] ZINC000273713172 600579320 /nfs/dbraw/zinc/57/93/20/600579320.db2.gz PKUDSXKQAOBDCI-UHFFFAOYSA-N -1 1 396.465 2.047 20 0 GEADMM COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000267127996 600627666 /nfs/dbraw/zinc/62/76/66/600627666.db2.gz CBDHSRZORFAVLE-UHFFFAOYSA-N -1 1 379.434 2.448 20 0 GEADMM CN(C)[C@H](CNC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1cccs1 ZINC000737358457 600636322 /nfs/dbraw/zinc/63/63/22/600636322.db2.gz MSXHFKRUAHLTOD-SNVBAGLBSA-N -1 1 383.499 2.431 20 0 GEADMM Cc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000738707670 600650416 /nfs/dbraw/zinc/65/04/16/600650416.db2.gz BRODRYWETPPJJX-UHFFFAOYSA-N -1 1 390.505 2.375 20 0 GEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000738476103 600659357 /nfs/dbraw/zinc/65/93/57/600659357.db2.gz KFNHDHNELBHJKN-UHFFFAOYSA-N -1 1 397.475 2.458 20 0 GEADMM Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000604737312 600672532 /nfs/dbraw/zinc/67/25/32/600672532.db2.gz FXZWDELDORSICN-UHFFFAOYSA-N -1 1 391.430 2.212 20 0 GEADMM CCOc1ccc(-c2nc(Cn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)co2)cc1 ZINC000821401835 607463480 /nfs/dbraw/zinc/46/34/80/607463480.db2.gz ZOBJAQUUKWCUFS-UHFFFAOYSA-N -1 1 393.407 2.142 20 0 GEADMM O=C([O-])CCN(CN1C(=S)N=NC1Cc1cccs1)C1CCOCC1 ZINC000833235728 600720463 /nfs/dbraw/zinc/72/04/63/600720463.db2.gz AKSKYUNBVNQGIZ-UHFFFAOYSA-N -1 1 382.511 2.132 20 0 GEADMM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000635507513 600744412 /nfs/dbraw/zinc/74/44/12/600744412.db2.gz NJWMZNJEKKZSOF-GJZGRUSLSA-N -1 1 392.475 2.145 20 0 GEADMM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000635507512 600744620 /nfs/dbraw/zinc/74/46/20/600744620.db2.gz NJWMZNJEKKZSOF-CABCVRRESA-N -1 1 392.475 2.145 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCN1Cc1ccccc1 ZINC000382595138 600789431 /nfs/dbraw/zinc/78/94/31/600789431.db2.gz KFBZYEXNFZIDOX-OAHLLOKOSA-N -1 1 391.493 2.008 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000298289379 600809858 /nfs/dbraw/zinc/80/98/58/600809858.db2.gz DHOCPJSBHBANNE-CQSZACIVSA-N -1 1 380.422 2.082 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1C(=O)[O-] ZINC000522395420 600814704 /nfs/dbraw/zinc/81/47/04/600814704.db2.gz HTDJKROXEJNCOP-UHFFFAOYSA-N -1 1 387.421 2.187 20 0 GEADMM Cc1ccc(S(=O)(=O)Nc2ccccc2N2C(=O)CCC2=O)cc1C(=O)[O-] ZINC000520333178 600816011 /nfs/dbraw/zinc/81/60/11/600816011.db2.gz JCWMWLMNGQBETF-UHFFFAOYSA-N -1 1 388.401 2.147 20 0 GEADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCOC2(CCCCC2)C1 ZINC000831919678 600835115 /nfs/dbraw/zinc/83/51/15/600835115.db2.gz ZWUSCGDRGSTWQS-MRXNPFEDSA-N -1 1 379.453 2.168 20 0 GEADMM O=C([O-])CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000567593273 600852977 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ZINC000826472321 607512056 /nfs/dbraw/zinc/51/20/56/607512056.db2.gz GXJKMAZYKKABIZ-RDJZCZTQSA-N -1 1 382.399 2.129 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1C(=O)[O-] ZINC000432493319 601491897 /nfs/dbraw/zinc/49/18/97/601491897.db2.gz LBASFAHTPYOZQS-UHFFFAOYSA-N -1 1 388.405 2.452 20 0 GEADMM CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830609084 601510874 /nfs/dbraw/zinc/51/08/74/601510874.db2.gz SMYUCPWQCBSGQG-UHFFFAOYSA-N -1 1 388.917 2.288 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)cc(F)c1F ZINC000185124881 601575431 /nfs/dbraw/zinc/57/54/31/601575431.db2.gz VVPWYPKUNUEUGW-GFCCVEGCSA-N -1 1 388.436 2.302 20 0 GEADMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000826032148 601608797 /nfs/dbraw/zinc/60/87/97/601608797.db2.gz ZLAOPPRKBQLAKR-FZKQIMNGSA-N -1 1 394.431 2.261 20 0 GEADMM c1ccc2sc(CN3CCN(Cc4ccnc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000826524111 607518498 /nfs/dbraw/zinc/51/84/98/607518498.db2.gz JSCCAKQQRDPAPX-UHFFFAOYSA-N -1 1 392.492 2.189 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccc1)N(Cc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000825493927 607519060 /nfs/dbraw/zinc/51/90/60/607519060.db2.gz QRISWQJTFRUJGR-LJQANCHMSA-N -1 1 392.463 2.401 20 0 GEADMM O=C([O-])Cc1ccccc1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000738630725 601730439 /nfs/dbraw/zinc/73/04/39/601730439.db2.gz OHZRGEIMGMIDRW-UHFFFAOYSA-N -1 1 383.429 2.341 20 0 GEADMM Cc1cc(Br)ncc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832859546 601769348 /nfs/dbraw/zinc/76/93/48/601769348.db2.gz SNTMZZKELUOWNM-UHFFFAOYSA-N -1 1 378.229 2.108 20 0 GEADMM C[C@H](CS(=O)(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000827532950 601781650 /nfs/dbraw/zinc/78/16/50/601781650.db2.gz MAVMZSVOXKPFJY-GFCCVEGCSA-N -1 1 396.431 2.120 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)N1CCCC1 ZINC000832595666 601803288 /nfs/dbraw/zinc/80/32/88/601803288.db2.gz NASIFDRTCCZJTQ-UAGQMJEPSA-N -1 1 375.469 2.194 20 0 GEADMM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC000829069360 601819360 /nfs/dbraw/zinc/81/93/60/601819360.db2.gz HKOGNKDRQQMCJH-YRILPIOLSA-N -1 1 379.844 2.107 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)ccc1Cl ZINC000776457187 601830021 /nfs/dbraw/zinc/83/00/21/601830021.db2.gz AWENIKHLUCVVCF-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)Cc1ccccc1 ZINC000232754712 601832310 /nfs/dbraw/zinc/83/23/10/601832310.db2.gz ZXOPGPUFFPDCNJ-CQSZACIVSA-N -1 1 396.896 2.489 20 0 GEADMM NC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000746349977 601833256 /nfs/dbraw/zinc/83/32/56/601833256.db2.gz BCVJFRNNCVCQCQ-UHFFFAOYSA-N -1 1 387.776 2.469 20 0 GEADMM COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1C ZINC000831453653 601833884 /nfs/dbraw/zinc/83/38/84/601833884.db2.gz WMAUVPBGVPOUJL-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751147842 601835403 /nfs/dbraw/zinc/83/54/03/601835403.db2.gz VVNKZMWGXZGHLS-UHFFFAOYSA-N -1 1 389.307 2.390 20 0 GEADMM Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C(=O)[O-])ccn3)cc2F)c1 ZINC000832986828 601847927 /nfs/dbraw/zinc/84/79/27/601847927.db2.gz LACZSNFNEUBXII-UHFFFAOYSA-N -1 1 376.369 2.214 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000827948868 601852055 /nfs/dbraw/zinc/85/20/55/601852055.db2.gz GEIIENMVCQEJFQ-CZUORRHYSA-N -1 1 399.422 2.414 20 0 GEADMM CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccco1 ZINC000829666769 601853742 /nfs/dbraw/zinc/85/37/42/601853742.db2.gz RGNLNVFVYHWGES-OAHLLOKOSA-N -1 1 391.399 2.255 20 0 GEADMM O=C([O-])NCCCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000739961117 601855927 /nfs/dbraw/zinc/85/59/27/601855927.db2.gz PVNWTVRIPYVINW-UHFFFAOYSA-N -1 1 376.457 2.487 20 0 GEADMM O=C([O-])N1[C@H](C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@@H]2CCCC[C@@H]21 ZINC000740399891 601868111 /nfs/dbraw/zinc/86/81/11/601868111.db2.gz NUISVIRFWJOEDN-WDSOQIARSA-N -1 1 386.496 2.473 20 0 GEADMM S=C(NC[C@H]1CCOC1)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826512035 607531433 /nfs/dbraw/zinc/53/14/33/607531433.db2.gz MNQZMJKGQZOTCB-GFCCVEGCSA-N -1 1 397.464 2.377 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@@H](C)N2CCSC[C@H]2CC(=O)[O-])cc1F ZINC000832304358 601918264 /nfs/dbraw/zinc/91/82/64/601918264.db2.gz KCYDGOWIAPSBHS-TZMCWYRMSA-N -1 1 384.473 2.073 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC000828023765 601923582 /nfs/dbraw/zinc/92/35/82/601923582.db2.gz ASEKAMDDDYFTKW-INIZCTEOSA-N -1 1 397.357 2.021 20 0 GEADMM O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000740370489 601924918 /nfs/dbraw/zinc/92/49/18/601924918.db2.gz YBRLKCICPWQIRH-KZNAEPCWSA-N -1 1 387.480 2.103 20 0 GEADMM O=C(CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000740370489 601924921 /nfs/dbraw/zinc/92/49/21/601924921.db2.gz YBRLKCICPWQIRH-KZNAEPCWSA-N -1 1 387.480 2.103 20 0 GEADMM O=C([O-])NC[C@H]1CCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000740641591 601940456 /nfs/dbraw/zinc/94/04/56/601940456.db2.gz JNIIFBJZAFZYSK-OAHLLOKOSA-N -1 1 375.469 2.214 20 0 GEADMM C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738599259 601943540 /nfs/dbraw/zinc/94/35/40/601943540.db2.gz DRSPNWRWOYIIMW-UONOGXRCSA-N -1 1 383.876 2.155 20 0 GEADMM O=S(=O)(Cc1cc(-c2cccs2)on1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486622 607536574 /nfs/dbraw/zinc/53/65/74/607536574.db2.gz JVZMGZLRBQHXEL-UHFFFAOYSA-N -1 1 388.434 2.093 20 0 GEADMM O=S(=O)(Cc1cc(-c2cccs2)on1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486622 607536576 /nfs/dbraw/zinc/53/65/76/607536576.db2.gz JVZMGZLRBQHXEL-UHFFFAOYSA-N -1 1 388.434 2.093 20 0 GEADMM O=C([O-])c1c2c(sc1NC(=O)COC(=O)[C@H]1CCCc3[nH]ncc31)CCC2 ZINC000833112735 602015809 /nfs/dbraw/zinc/01/58/09/602015809.db2.gz KNRMCMKLVLEZIH-VIFPVBQESA-N -1 1 389.433 2.260 20 0 GEADMM CCCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000825268381 607540514 /nfs/dbraw/zinc/54/05/14/607540514.db2.gz UJDMJMLTXYPZIT-HXUWFJFHSA-N -1 1 391.435 2.399 20 0 GEADMM CCCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000825268381 607540516 /nfs/dbraw/zinc/54/05/16/607540516.db2.gz UJDMJMLTXYPZIT-HXUWFJFHSA-N -1 1 391.435 2.399 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000830620544 602044929 /nfs/dbraw/zinc/04/49/29/602044929.db2.gz VKEBKIOOWCDKNS-HOTGVXAUSA-N -1 1 390.484 2.392 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2C1 ZINC000826682129 602046111 /nfs/dbraw/zinc/04/61/11/602046111.db2.gz WNTKSVGKXHZWLQ-LHSJRXKWSA-N -1 1 387.480 2.308 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc(CNC[C@@H]2CCCN2C(=O)[O-])s1 ZINC000739412659 602053087 /nfs/dbraw/zinc/05/30/87/602053087.db2.gz UJHRABBUMOEKRA-LBPRGKRZSA-N -1 1 375.516 2.011 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)N2CCCC2)c1 ZINC000832532430 602055714 /nfs/dbraw/zinc/05/57/14/602055714.db2.gz AGLBPPTVFLWWPX-PXNSSMCTSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)N2CCCC2)cc1 ZINC000739892573 602057915 /nfs/dbraw/zinc/05/79/15/602057915.db2.gz HPJAZNLUUFQTHU-CRAIPNDOSA-N -1 1 390.484 2.131 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000263153645 602067753 /nfs/dbraw/zinc/06/77/53/602067753.db2.gz BIVFBXLRKCGZKE-LJQANCHMSA-N -1 1 381.517 2.306 20 0 GEADMM Fc1cccc(Oc2nccnc2-c2nn[n-]n2)c1I ZINC000826377774 607543171 /nfs/dbraw/zinc/54/31/71/607543171.db2.gz FNHIMSKOXFWKLP-UHFFFAOYSA-N -1 1 384.112 2.193 20 0 GEADMM C[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738975912 602080111 /nfs/dbraw/zinc/08/01/11/602080111.db2.gz KJADNJPLHSDJNI-HZPDHXFCSA-N -1 1 389.500 2.124 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000548526632 602111657 /nfs/dbraw/zinc/11/16/57/602111657.db2.gz QHEQHLISJBKACL-UHFFFAOYSA-N -1 1 387.410 2.037 20 0 GEADMM CN1CCO[C@@H]2CN(c3cc(C(=O)[O-])nc4ccc(Br)cc43)C[C@H]21 ZINC000830963252 602137836 /nfs/dbraw/zinc/13/78/36/602137836.db2.gz AOMXHLVYOVRHHL-HZPDHXFCSA-N -1 1 392.253 2.215 20 0 GEADMM CN1CCO[C@H]2CN(c3cc(C(=O)[O-])nc4ccc(Br)cc43)C[C@H]21 ZINC000830963250 602137849 /nfs/dbraw/zinc/13/78/49/602137849.db2.gz AOMXHLVYOVRHHL-CVEARBPZSA-N -1 1 392.253 2.215 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)nc2)ccc1F ZINC000222060037 602156185 /nfs/dbraw/zinc/15/61/85/602156185.db2.gz KGBPRGWCZMZOKH-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1 ZINC000319588339 602157149 /nfs/dbraw/zinc/15/71/49/602157149.db2.gz XOEWACNEZSEIKT-UHFFFAOYSA-N -1 1 387.211 2.108 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000426685645 602247396 /nfs/dbraw/zinc/24/73/96/602247396.db2.gz JJDXGKAIPTYFLL-GFCCVEGCSA-N -1 1 392.433 2.007 20 0 GEADMM COc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1NC(=O)[O-] ZINC000739918695 602256574 /nfs/dbraw/zinc/25/65/74/602256574.db2.gz HCPZYIDNBDWGPS-UHFFFAOYSA-N -1 1 397.391 2.420 20 0 GEADMM C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000736634917 602271699 /nfs/dbraw/zinc/27/16/99/602271699.db2.gz BJSZLXIWPZFFNM-CQSZACIVSA-N -1 1 380.464 2.145 20 0 GEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000833195145 602284462 /nfs/dbraw/zinc/28/44/62/602284462.db2.gz VNWLYGGVIBPBCN-CEXWTWQISA-N -1 1 398.459 2.206 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])N2CCCC2)c1 ZINC000739943791 602343708 /nfs/dbraw/zinc/34/37/08/602343708.db2.gz BMKGIRAVEZZYJO-JKSUJKDBSA-N -1 1 379.482 2.001 20 0 GEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000740517905 602382622 /nfs/dbraw/zinc/38/26/22/602382622.db2.gz PYDLEGWQLBIVQM-HUUCEWRRSA-N -1 1 392.481 2.005 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1F ZINC000833132576 602402343 /nfs/dbraw/zinc/40/23/43/602402343.db2.gz DMNSXEGUQKQZOB-GOSISDBHSA-N -1 1 399.422 2.416 20 0 GEADMM CN(CC1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1)C(=O)[O-] ZINC000739653003 602413151 /nfs/dbraw/zinc/41/31/51/602413151.db2.gz YHVGYFWEEJTFTK-INIZCTEOSA-N -1 1 378.473 2.448 20 0 GEADMM CN(C)[C@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739651460 602417095 /nfs/dbraw/zinc/41/70/95/602417095.db2.gz PVGQECZYDMGSMJ-QGZVFWFLSA-N -1 1 380.464 2.460 20 0 GEADMM CC(C)Oc1cccc(CNC(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000738864571 602443790 /nfs/dbraw/zinc/44/37/90/602443790.db2.gz GSLUUOQNLFNOLM-HNNXBMFYSA-N -1 1 377.485 2.458 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000739016076 602443804 /nfs/dbraw/zinc/44/38/04/602443804.db2.gz QYAATYCJHDIPJV-CQSZACIVSA-N -1 1 384.498 2.227 20 0 GEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000738951061 602449347 /nfs/dbraw/zinc/44/93/47/602449347.db2.gz NYVPTGOOFBHRNG-OLZOCXBDSA-N -1 1 383.439 2.380 20 0 GEADMM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000739687889 602495538 /nfs/dbraw/zinc/49/55/38/602495538.db2.gz HIJXUQIDKHQIMO-UHFFFAOYSA-N -1 1 391.859 2.098 20 0 GEADMM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])CC2)c1 ZINC000739983658 602519811 /nfs/dbraw/zinc/51/98/11/602519811.db2.gz HATQLQKUEAYEGW-XIRDDKMYSA-N -1 1 388.468 2.050 20 0 GEADMM CN(C[C@@H]1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1)C(=O)[O-] ZINC000739659504 602528146 /nfs/dbraw/zinc/52/81/46/602528146.db2.gz DCCBCCXVMDBLOT-NSHDSACASA-N -1 1 391.365 2.392 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000826483976 607572513 /nfs/dbraw/zinc/57/25/13/607572513.db2.gz ICZOPIZUNYXBFI-UHFFFAOYSA-N -1 1 398.322 2.466 20 0 GEADMM O=C([O-])N1CCC[C@@H]1CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000740420023 602597366 /nfs/dbraw/zinc/59/73/66/602597366.db2.gz POXSONWGPXMGHY-QGZVFWFLSA-N -1 1 378.448 2.232 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C[C@H](C)O1 ZINC000739179031 602609357 /nfs/dbraw/zinc/60/93/57/602609357.db2.gz BMJUYKXCIKKEEW-GASCZTMLSA-N -1 1 390.484 2.344 20 0 GEADMM CN(C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1)C(=O)[O-] ZINC000739652136 602610238 /nfs/dbraw/zinc/61/02/38/602610238.db2.gz SQZPHFBRFIPMHE-CVEARBPZSA-N -1 1 378.473 2.448 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N2CCCC2)c1 ZINC000739946896 602613144 /nfs/dbraw/zinc/61/31/44/602613144.db2.gz YDYROXJXKJBOJN-RHSMWYFYSA-N -1 1 378.473 2.130 20 0 GEADMM COc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826218746 607577150 /nfs/dbraw/zinc/57/71/50/607577150.db2.gz KCKVBAXFCIRYHW-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826218746 607577151 /nfs/dbraw/zinc/57/71/51/607577151.db2.gz KCKVBAXFCIRYHW-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM CC[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825122142 607578467 /nfs/dbraw/zinc/57/84/67/607578467.db2.gz XGSDIRFVFZUAEG-LBPRGKRZSA-N -1 1 375.429 2.478 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739518504 602652293 /nfs/dbraw/zinc/65/22/93/602652293.db2.gz JWXDNGAFLJOFBQ-UHFFFAOYSA-N -1 1 384.435 2.371 20 0 GEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739780323 602655794 /nfs/dbraw/zinc/65/57/94/602655794.db2.gz UEXINISQEXMBAI-UHFFFAOYSA-N -1 1 378.406 2.350 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740079153 602690183 /nfs/dbraw/zinc/69/01/83/602690183.db2.gz GFOSTWJZMXEBQK-INIZCTEOSA-N -1 1 389.500 2.258 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)N(C)C)c1 ZINC000739945510 602692167 /nfs/dbraw/zinc/69/21/67/602692167.db2.gz LMAWYTMMCAMJJF-KDOFPFPSSA-N -1 1 392.500 2.376 20 0 GEADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493598 607581204 /nfs/dbraw/zinc/58/12/04/607581204.db2.gz SPHCODMXVHDPBQ-UHFFFAOYSA-N -1 1 394.796 2.059 20 0 GEADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493598 607581205 /nfs/dbraw/zinc/58/12/05/607581205.db2.gz SPHCODMXVHDPBQ-UHFFFAOYSA-N -1 1 394.796 2.059 20 0 GEADMM C[C@H]1CN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739178340 602762064 /nfs/dbraw/zinc/76/20/64/602762064.db2.gz YRILJCKQFZVAIF-QFBILLFUSA-N -1 1 389.496 2.172 20 0 GEADMM O=S(=O)(NC[C@H]1CCCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490553 607584487 /nfs/dbraw/zinc/58/44/87/607584487.db2.gz YZDZDLILJHDDAA-CYBMUJFWSA-N -1 1 387.440 2.404 20 0 GEADMM O=S(=O)(NC[C@H]1CCCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490553 607584488 /nfs/dbraw/zinc/58/44/88/607584488.db2.gz YZDZDLILJHDDAA-CYBMUJFWSA-N -1 1 387.440 2.404 20 0 GEADMM C[C@H]1CN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739184244 602771360 /nfs/dbraw/zinc/77/13/60/602771360.db2.gz WJQALKLWVFEIEC-DZGCQCFKSA-N -1 1 389.477 2.327 20 0 GEADMM C[C@@H](CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)NC(=O)[O-] ZINC000824703680 602772941 /nfs/dbraw/zinc/77/29/41/602772941.db2.gz PISSHYNLQKUZMI-LBPRGKRZSA-N -1 1 377.422 2.472 20 0 GEADMM CC(C)Oc1ccc(CCNC(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738867891 602785400 /nfs/dbraw/zinc/78/54/00/602785400.db2.gz XSGLGFSZELUMTL-YJBOKZPZSA-N -1 1 377.485 2.111 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000824641752 607586214 /nfs/dbraw/zinc/58/62/14/607586214.db2.gz YLKWNXBMWSIAHU-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM O=S(=O)([N-][C@@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1nn[nH]n1 ZINC000826487547 607590676 /nfs/dbraw/zinc/59/06/76/607590676.db2.gz RDZYPTIBZOSNOD-ZDUSSCGKSA-N -1 1 383.355 2.449 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC1 ZINC000739011421 602807434 /nfs/dbraw/zinc/80/74/34/602807434.db2.gz UIMZKTQNVNAAPA-ZDUSSCGKSA-N -1 1 380.464 2.465 20 0 GEADMM CCCOc1ccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OCCC ZINC000825339096 607587290 /nfs/dbraw/zinc/58/72/90/607587290.db2.gz MNKSOKPZUMWUOW-UHFFFAOYSA-N -1 1 399.455 2.359 20 0 GEADMM CCCOc1ccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OCCC ZINC000825339096 607587293 /nfs/dbraw/zinc/58/72/93/607587293.db2.gz MNKSOKPZUMWUOW-UHFFFAOYSA-N -1 1 399.455 2.359 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000826340819 607587805 /nfs/dbraw/zinc/58/78/05/607587805.db2.gz LZPDJQHCJSXZLA-CYBMUJFWSA-N -1 1 392.423 2.063 20 0 GEADMM C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824937915 607588270 /nfs/dbraw/zinc/58/82/70/607588270.db2.gz RVSDEFGYNZPDHO-YPMHNXCESA-N -1 1 399.904 2.394 20 0 GEADMM C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824937915 607588271 /nfs/dbraw/zinc/58/82/71/607588271.db2.gz RVSDEFGYNZPDHO-YPMHNXCESA-N -1 1 399.904 2.394 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(NC(=O)[O-])cc3O)n2)cc1 ZINC000739877891 602860449 /nfs/dbraw/zinc/86/04/49/602860449.db2.gz CVXDWRCHNRLQOO-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)c3ccc(NC(=O)[O-])cc3O)n[nH]2)cc1 ZINC000739877891 602860451 /nfs/dbraw/zinc/86/04/51/602860451.db2.gz CVXDWRCHNRLQOO-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM C[C@H]1CN(C(=O)[O-])CCN1Cn1ccc(=O)c2cccc(Br)c21 ZINC000739152889 602862551 /nfs/dbraw/zinc/86/25/51/602862551.db2.gz GWKVAAJTVSAZMR-NSHDSACASA-N -1 1 380.242 2.406 20 0 GEADMM O=S(=O)(NCCSC(F)(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491733 607591529 /nfs/dbraw/zinc/59/15/29/607591529.db2.gz YCKXULRWEKQZBB-UHFFFAOYSA-N -1 1 387.796 2.051 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000739982126 602891587 /nfs/dbraw/zinc/89/15/87/602891587.db2.gz ZUZIHMNOSDFPMT-ZBFHGGJFSA-N -1 1 377.466 2.485 20 0 GEADMM COc1cccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826214729 607594103 /nfs/dbraw/zinc/59/41/03/607594103.db2.gz VNDUAYCALMOBEF-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM CSc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826230710 607596195 /nfs/dbraw/zinc/59/61/95/607596195.db2.gz GOJAJZAHKNUZHW-UHFFFAOYSA-N -1 1 379.442 2.206 20 0 GEADMM CSc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826230710 607596198 /nfs/dbraw/zinc/59/61/98/607596198.db2.gz GOJAJZAHKNUZHW-UHFFFAOYSA-N -1 1 379.442 2.206 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945245 602956358 /nfs/dbraw/zinc/95/63/58/602956358.db2.gz IXUBFYUCPQXIKH-WBVHZDCISA-N -1 1 378.473 2.130 20 0 GEADMM C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CC1 ZINC000824428550 607597045 /nfs/dbraw/zinc/59/70/45/607597045.db2.gz SQOBLYSAWULMOQ-MRVPVSSYSA-N -1 1 375.376 2.210 20 0 GEADMM C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738962347 602981265 /nfs/dbraw/zinc/98/12/65/602981265.db2.gz RZXNFXFUTOVPMZ-YSVLISHTSA-N -1 1 392.475 2.191 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)CCN1CCOC ZINC000739277798 602997329 /nfs/dbraw/zinc/99/73/29/602997329.db2.gz HSMGPAQTKQILEV-CQSZACIVSA-N -1 1 380.445 2.360 20 0 GEADMM CCCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825313949 607601848 /nfs/dbraw/zinc/60/18/48/607601848.db2.gz UXZZPBMEDILISI-UHFFFAOYSA-N -1 1 390.444 2.044 20 0 GEADMM C[C@@H]1CN(Cn2ccc(=O)c3cccc(Br)c32)CCN1C(=O)[O-] ZINC000739192623 603054039 /nfs/dbraw/zinc/05/40/39/603054039.db2.gz RSUQMVBYVLUUCV-LLVKDONJSA-N -1 1 380.242 2.406 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COc3ccccc3F)cc2)n1 ZINC000740681539 603060038 /nfs/dbraw/zinc/06/00/38/603060038.db2.gz MEVSUCKVYJXNFK-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COc3ccccc3F)cc2)n[nH]1 ZINC000740681539 603060044 /nfs/dbraw/zinc/06/00/44/603060044.db2.gz MEVSUCKVYJXNFK-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000740465096 603069834 /nfs/dbraw/zinc/06/98/34/603069834.db2.gz LTDFUICDOMDTSN-CZUORRHYSA-N -1 1 384.367 2.421 20 0 GEADMM COc1cc2nc(CN[C@@](C)(CNC(=O)[O-])C(C)C)[nH]c(=O)c2cc1OC ZINC000739878000 603080390 /nfs/dbraw/zinc/08/03/90/603080390.db2.gz XKTOSTGZCCLSPI-SFHVURJKSA-N -1 1 378.429 2.125 20 0 GEADMM COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826151588 607605577 /nfs/dbraw/zinc/60/55/77/607605577.db2.gz FKZPNBQKCPWDNQ-CYBMUJFWSA-N -1 1 393.856 2.186 20 0 GEADMM COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826151588 607605578 /nfs/dbraw/zinc/60/55/78/607605578.db2.gz FKZPNBQKCPWDNQ-CYBMUJFWSA-N -1 1 393.856 2.186 20 0 GEADMM CCCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825307703 607608310 /nfs/dbraw/zinc/60/83/10/607608310.db2.gz MNPXEWIPIQXTKJ-UHFFFAOYSA-N -1 1 375.376 2.449 20 0 GEADMM CN(C)[C@@H](CNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1ccc(F)cc1 ZINC000739602672 603120896 /nfs/dbraw/zinc/12/08/96/603120896.db2.gz PQCGDSNZSCIKCZ-SFHVURJKSA-N -1 1 385.439 2.350 20 0 GEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739206193 603120992 /nfs/dbraw/zinc/12/09/92/603120992.db2.gz YCEFBYAMABISMR-CXAGYDPISA-N -1 1 393.459 2.410 20 0 GEADMM C[C@@](O)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824670361 607608371 /nfs/dbraw/zinc/60/83/71/607608371.db2.gz MQGFSNCLSWFHDU-INIZCTEOSA-N -1 1 393.325 2.231 20 0 GEADMM C[C@@](O)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824670361 607608373 /nfs/dbraw/zinc/60/83/73/607608373.db2.gz MQGFSNCLSWFHDU-INIZCTEOSA-N -1 1 393.325 2.231 20 0 GEADMM CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000738773774 603135137 /nfs/dbraw/zinc/13/51/37/603135137.db2.gz VRURHQLBZSEBDZ-IBGZPJMESA-N -1 1 376.457 2.022 20 0 GEADMM C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824937601 607609789 /nfs/dbraw/zinc/60/97/89/607609789.db2.gz PZSXWPVGGLMONY-KCJUWKMLSA-N -1 1 375.376 2.352 20 0 GEADMM COc1cccc([C@H](CNC(=O)NC2CCC(NC(=O)[O-])CC2)N(C)C)c1 ZINC000739946036 603144248 /nfs/dbraw/zinc/14/42/48/603144248.db2.gz PZGJBXIWHTULJB-DQPZFDDXSA-N -1 1 378.473 2.176 20 0 GEADMM C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824937604 607610059 /nfs/dbraw/zinc/61/00/59/607610059.db2.gz PZSXWPVGGLMONY-KWQFWETISA-N -1 1 375.376 2.352 20 0 GEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739790624 603182560 /nfs/dbraw/zinc/18/25/60/603182560.db2.gz YPRPYKBJTUUUSF-UHFFFAOYSA-N -1 1 390.417 2.310 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000824426231 607614250 /nfs/dbraw/zinc/61/42/50/607614250.db2.gz CBCFJFOOLPQTSQ-LLVKDONJSA-N -1 1 393.856 2.266 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000824426231 607614251 /nfs/dbraw/zinc/61/42/51/607614251.db2.gz CBCFJFOOLPQTSQ-LLVKDONJSA-N -1 1 393.856 2.266 20 0 GEADMM CC(C)n1cc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000824640672 607614559 /nfs/dbraw/zinc/61/45/59/607614559.db2.gz NGFIPYHSBQUQCW-JTQLQIEISA-N -1 1 395.876 2.337 20 0 GEADMM CC(C)n1cc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000824640672 607614561 /nfs/dbraw/zinc/61/45/61/607614561.db2.gz NGFIPYHSBQUQCW-JTQLQIEISA-N -1 1 395.876 2.337 20 0 GEADMM Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826339306 607615328 /nfs/dbraw/zinc/61/53/28/607615328.db2.gz ZDUKSEMGMCIOOJ-QMMMGPOBSA-N -1 1 382.833 2.164 20 0 GEADMM Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826339306 607615330 /nfs/dbraw/zinc/61/53/30/607615330.db2.gz ZDUKSEMGMCIOOJ-QMMMGPOBSA-N -1 1 382.833 2.164 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000740570157 603239348 /nfs/dbraw/zinc/23/93/48/603239348.db2.gz QRBFRNCTNUXECO-QZTJIDSGSA-N -1 1 388.512 2.141 20 0 GEADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824079951 607617741 /nfs/dbraw/zinc/61/77/41/607617741.db2.gz TURGHOFUDIKRNV-IAQYHMDHSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000824167766 607619268 /nfs/dbraw/zinc/61/92/68/607619268.db2.gz UOHMWCASGXTLNM-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC000824198811 607619519 /nfs/dbraw/zinc/61/95/19/607619519.db2.gz FJQOVBYZXKOFHW-OAHLLOKOSA-N -1 1 376.417 2.076 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC000824198811 607619520 /nfs/dbraw/zinc/61/95/20/607619520.db2.gz FJQOVBYZXKOFHW-OAHLLOKOSA-N -1 1 376.417 2.076 20 0 GEADMM Cc1ccc([C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826283613 607621254 /nfs/dbraw/zinc/62/12/54/607621254.db2.gz VZMHGKSCDIKTPA-GFCCVEGCSA-N -1 1 375.429 2.396 20 0 GEADMM Cc1ccc([C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826283613 607621255 /nfs/dbraw/zinc/62/12/55/607621255.db2.gz VZMHGKSCDIKTPA-GFCCVEGCSA-N -1 1 375.429 2.396 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000826058029 603318890 /nfs/dbraw/zinc/31/88/90/603318890.db2.gz MHVJOCIQBXQIRK-MDZRGWNJSA-N -1 1 389.496 2.445 20 0 GEADMM C[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662960 603340862 /nfs/dbraw/zinc/34/08/62/603340862.db2.gz QGALIXRIZYOPTO-APWZRJJASA-N -1 1 389.496 2.202 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000737361932 603397369 /nfs/dbraw/zinc/39/73/69/603397369.db2.gz SAGJTDDNVPZNFZ-MRXNPFEDSA-N -1 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C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825081258 603542998 /nfs/dbraw/zinc/54/29/98/603542998.db2.gz BCIIJXAGXMUYAN-SQWLQELKSA-N -1 1 392.475 2.191 20 0 GEADMM COc1cc(NC(=O)CCN2CCN(C(=O)[O-])[C@H](C)C2)c(OC)cc1Cl ZINC000829153855 603568947 /nfs/dbraw/zinc/56/89/47/603568947.db2.gz QZWDVSGHAQTXAO-LLVKDONJSA-N -1 1 385.848 2.370 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)c1cccc(CN2CCN(C)CC2)c1)NC(=O)[O-] ZINC000824092334 603569389 /nfs/dbraw/zinc/56/93/89/603569389.db2.gz QCIMASUWRLYEBM-LJQANCHMSA-N -1 1 390.528 2.188 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)N1CCCC1 ZINC000829598564 603613335 /nfs/dbraw/zinc/61/33/35/603613335.db2.gz PKZVOBDGGSKNDT-NVXWUHKLSA-N -1 1 390.484 2.226 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)NC(=O)[O-] ZINC000829597996 603623022 /nfs/dbraw/zinc/62/30/22/603623022.db2.gz MJMCVIJFYLGWPN-MRXNPFEDSA-N -1 1 387.440 2.316 20 0 GEADMM COc1cccc2c1N(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CCC2 ZINC000826218200 607643524 /nfs/dbraw/zinc/64/35/24/607643524.db2.gz SODNCPRLANZRDR-UHFFFAOYSA-N -1 1 382.424 2.476 20 0 GEADMM C[C@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)[C@@H]1CNC(=O)[O-] ZINC000825919619 603708484 /nfs/dbraw/zinc/70/84/84/603708484.db2.gz PNRYJFIVKDWUDF-IFXJQAMLSA-N -1 1 384.480 2.421 20 0 GEADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC000825582055 607646795 /nfs/dbraw/zinc/64/67/95/607646795.db2.gz GXGDLTZAKZKLPW-CHWSQXEVSA-N -1 1 397.888 2.146 20 0 GEADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC000825582055 607646797 /nfs/dbraw/zinc/64/67/97/607646797.db2.gz GXGDLTZAKZKLPW-CHWSQXEVSA-N -1 1 397.888 2.146 20 0 GEADMM O=C([O-])N1CC(CC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)C1 ZINC000831370712 603723519 /nfs/dbraw/zinc/72/35/19/603723519.db2.gz PJRHEJBLHOCJND-UHFFFAOYSA-N -1 1 388.468 2.440 20 0 GEADMM COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826216540 607648870 /nfs/dbraw/zinc/64/88/70/607648870.db2.gz 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C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCO1 ZINC000825324692 604703028 /nfs/dbraw/zinc/70/30/28/604703028.db2.gz DCCCTCRKMGVJPG-ZUZCIYMTSA-N -1 1 378.816 2.227 20 0 GEADMM O=C([O-])COc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1Cl ZINC000833258983 604807363 /nfs/dbraw/zinc/80/73/63/604807363.db2.gz GAPXFKPHWLZVTL-UHFFFAOYSA-N -1 1 381.797 2.481 20 0 GEADMM COc1ccc(C)cc1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000826190291 607717969 /nfs/dbraw/zinc/71/79/69/607717969.db2.gz WPWHFECYAFSEBL-UHFFFAOYSA-N -1 1 390.403 2.085 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000833416829 604856861 /nfs/dbraw/zinc/85/68/61/604856861.db2.gz GKODNPQXXRJOOG-NHYWBVRUSA-N -1 1 380.391 2.420 20 0 GEADMM CC(=O)[C@@H]1CC(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)=NN1c1ccccc1 ZINC000833387523 604865999 /nfs/dbraw/zinc/86/59/99/604865999.db2.gz GECAHVLXDXKGJM-INIZCTEOSA-N -1 1 391.387 2.424 20 0 GEADMM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000833102688 604918412 /nfs/dbraw/zinc/91/84/12/604918412.db2.gz VFDHVSLIUQDVRY-LEWJYISDSA-N -1 1 396.487 2.317 20 0 GEADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)cc1F ZINC000833156520 604941862 /nfs/dbraw/zinc/94/18/62/604941862.db2.gz BLMUAVBTRFULEX-UHFFFAOYSA-N -1 1 384.367 2.489 20 0 GEADMM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000833265426 604952320 /nfs/dbraw/zinc/95/23/20/604952320.db2.gz AOLQJGHSCVCOFF-QUCCMNQESA-N -1 1 397.475 2.318 20 0 GEADMM O=C([O-])N1CC(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1 ZINC000833162401 604954132 /nfs/dbraw/zinc/95/41/32/604954132.db2.gz KZDUARXGSNHNAJ-UHFFFAOYSA-N -1 1 395.824 2.451 20 0 GEADMM C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000828124062 604980220 /nfs/dbraw/zinc/98/02/20/604980220.db2.gz ZJTXWQGSBHOTAW-DIFFPNOSSA-N -1 1 383.807 2.143 20 0 GEADMM CN(C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1)C(c1ccccc1)c1ccccc1 ZINC000833684821 604985738 /nfs/dbraw/zinc/98/57/38/604985738.db2.gz 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CC(C)COc1cccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833490731 605045213 /nfs/dbraw/zinc/04/52/13/605045213.db2.gz QVJVXCXYEKYEMX-MRXNPFEDSA-N -1 1 377.485 2.412 20 0 GEADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833688747 605048649 /nfs/dbraw/zinc/04/86/49/605048649.db2.gz BXULWLUDGRJXPN-NSHDSACASA-N -1 1 380.388 2.118 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000833626409 605050219 /nfs/dbraw/zinc/05/02/19/605050219.db2.gz QTTJCADNBARQHR-CQSZACIVSA-N -1 1 394.541 2.145 20 0 GEADMM C[C@H]1C(=O)Nc2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)ccc2N1C ZINC000833584149 605061202 /nfs/dbraw/zinc/06/12/02/605061202.db2.gz OKKJDRWBXPFUBZ-VIFPVBQESA-N -1 1 379.376 2.290 20 0 GEADMM CCCOc1ccc([C@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000833651985 605077154 /nfs/dbraw/zinc/07/71/54/605077154.db2.gz JUVZRWDLWDNJHQ-AWEZNQCLSA-N -1 1 378.469 2.458 20 0 GEADMM CC(C)(O)CN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000833463845 605082427 /nfs/dbraw/zinc/08/24/27/605082427.db2.gz KSJOGIYYKCZOOG-HXUWFJFHSA-N -1 1 396.487 2.298 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCc2cccnc2)cc1 ZINC000833622611 605109765 /nfs/dbraw/zinc/10/97/65/605109765.db2.gz CAKJTRGSGXUDAD-INIZCTEOSA-N -1 1 383.448 2.282 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(Br)s1 ZINC000833742772 605112741 /nfs/dbraw/zinc/11/27/41/605112741.db2.gz VOCXNCXPDYQDOY-SECBINFHSA-N -1 1 375.288 2.440 20 0 GEADMM CC(C)COc1cccc(OCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833490433 605114270 /nfs/dbraw/zinc/11/42/70/605114270.db2.gz ICKJEYHHXFKHHG-INIZCTEOSA-N -1 1 378.469 2.108 20 0 GEADMM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000833784518 605126305 /nfs/dbraw/zinc/12/63/05/605126305.db2.gz AEBIIUAVYNLGKO-SNVBAGLBSA-N -1 1 382.467 2.010 20 0 GEADMM CN(C(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1C(=O)[O-] ZINC000833684804 605146418 /nfs/dbraw/zinc/14/64/18/605146418.db2.gz SQUQANUFZNJMPP-AWEZNQCLSA-N -1 1 383.452 2.223 20 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605240756 /nfs/dbraw/zinc/24/07/56/605240756.db2.gz OEQQHRJXRBKBGH-UHFFFAOYSA-N -1 1 387.797 2.318 20 0 GEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833541744 605251388 /nfs/dbraw/zinc/25/13/88/605251388.db2.gz FCPNWLAVBOCCTC-QWHCGFSZSA-N -1 1 388.386 2.480 20 0 GEADMM C[C@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCN1CCC(=O)[O-] ZINC000833626477 605277704 /nfs/dbraw/zinc/27/77/04/605277704.db2.gz WZUAUFKWJBNCFR-AWEZNQCLSA-N -1 1 375.469 2.292 20 0 GEADMM COc1cccc([C@H](CNC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)N(C)C)c1 ZINC000829543481 605372436 /nfs/dbraw/zinc/37/24/36/605372436.db2.gz LEYJEVAANVQXJF-WMZOPIPTSA-N -1 1 390.484 2.224 20 0 GEADMM CC[C@H]1CN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CC[C@H]1NC(=O)[O-] ZINC000833851639 605379209 /nfs/dbraw/zinc/37/92/09/605379209.db2.gz QMZVIWNBXTWPTH-JOYOIKCWSA-N -1 1 376.438 2.132 20 0 GEADMM CN(C)[C@H](CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000827993817 605382501 /nfs/dbraw/zinc/38/25/01/605382501.db2.gz GJEPJEJGBSFNQN-IAGOWNOFSA-N -1 1 378.448 2.355 20 0 GEADMM O=C([O-])N1CC[C@@H](N(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C2CC2)C1 ZINC000831927500 605400289 /nfs/dbraw/zinc/40/02/89/605400289.db2.gz CFJFEZKQOQCAFC-CQSZACIVSA-N -1 1 388.403 2.037 20 0 GEADMM O=C([O-])N1CC[C@@H](N(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C2CC2)C1 ZINC000831927500 605400295 /nfs/dbraw/zinc/40/02/95/605400295.db2.gz CFJFEZKQOQCAFC-CQSZACIVSA-N -1 1 388.403 2.037 20 0 GEADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n1 ZINC000830018296 605438087 /nfs/dbraw/zinc/43/80/87/605438087.db2.gz WLPYZQHBSLUUAD-GFCCVEGCSA-N -1 1 383.412 2.252 20 0 GEADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n1 ZINC000830018296 605438092 /nfs/dbraw/zinc/43/80/92/605438092.db2.gz WLPYZQHBSLUUAD-GFCCVEGCSA-N -1 1 383.412 2.252 20 0 GEADMM CC1([C@H]2CCCN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)OCCO1 ZINC000833563491 605443876 /nfs/dbraw/zinc/44/38/76/605443876.db2.gz GIBBEAMHRJWPIC-LBPRGKRZSA-N -1 1 394.493 2.349 20 0 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ZINC000833878674 605652404 /nfs/dbraw/zinc/65/24/04/605652404.db2.gz ZTHSFTRSNXGKII-CQSZACIVSA-N -1 1 390.484 2.085 20 0 GEADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000834028094 605686364 /nfs/dbraw/zinc/68/63/64/605686364.db2.gz RIQUQIVVKTUDGH-CXAGYDPISA-N -1 1 381.423 2.435 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@](C)(CC)CNC(=O)[O-] ZINC000833861846 605704780 /nfs/dbraw/zinc/70/47/80/605704780.db2.gz OMHRWUPCPKDSEI-HXUWFJFHSA-N -1 1 392.500 2.460 20 0 GEADMM N=C(NOCc1coc(-c2ccc(Cl)cc2)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833980453 605731573 /nfs/dbraw/zinc/73/15/73/605731573.db2.gz OSUNQXVYLRVENC-CYBMUJFWSA-N -1 1 380.788 2.372 20 0 GEADMM O=C([O-])N[C@H]1C[C@H](NCCS(=O)(=O)NCc2ccccc2)c2ccccc21 ZINC000834157642 605794402 /nfs/dbraw/zinc/79/44/02/605794402.db2.gz ILQLHQOYYRQUEG-ROUUACIJSA-N -1 1 389.477 2.149 20 0 GEADMM O=C([O-])NCc1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)o1 ZINC000834245447 605813859 /nfs/dbraw/zinc/81/38/59/605813859.db2.gz BLUJAXQLWHDYPI-UHFFFAOYSA-N -1 1 379.457 2.012 20 0 GEADMM O=C([O-])N1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834024665 605820522 /nfs/dbraw/zinc/82/05/22/605820522.db2.gz OTXBBYGHORTAMQ-KBPBESRZSA-N -1 1 376.461 2.104 20 0 GEADMM O=C([O-])N1CCC[C@@H](CCNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834098965 605822568 /nfs/dbraw/zinc/82/25/68/605822568.db2.gz MKAGGCHOSSJMSG-ZFWWWQNUSA-N -1 1 390.488 2.351 20 0 GEADMM [O-]c1ccc(-c2noc(CSc3nnnn3CC(F)(F)F)n2)c(F)c1 ZINC000445461358 649961893 /nfs/dbraw/zinc/96/18/93/649961893.db2.gz GNXPQCWGHRELNC-UHFFFAOYSA-N -1 1 376.295 2.422 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832811 605880921 /nfs/dbraw/zinc/88/09/21/605880921.db2.gz UQIPBGYISIBRCQ-ILXRZTDVSA-N -1 1 388.468 2.118 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832813 605880924 /nfs/dbraw/zinc/88/09/24/605880924.db2.gz UQIPBGYISIBRCQ-QLFBSQMISA-N -1 1 388.468 2.118 20 0 GEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000833831019 605881200 /nfs/dbraw/zinc/88/12/00/605881200.db2.gz MDYVLXSRKZJBNA-JSGCOSHPSA-N -1 1 385.411 2.224 20 0 GEADMM c1nnc(C2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1C1CC1 ZINC000823791805 606059583 /nfs/dbraw/zinc/05/95/83/606059583.db2.gz ILFVIKUJKIWGCL-UHFFFAOYSA-N -1 1 388.439 2.120 20 0 GEADMM c1nnc(C2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1C1CC1 ZINC000823791805 606059588 /nfs/dbraw/zinc/05/95/88/606059588.db2.gz ILFVIKUJKIWGCL-UHFFFAOYSA-N -1 1 388.439 2.120 20 0 GEADMM C[C@H](CCNS(=O)(=O)c1cc(F)c(Br)cc1F)NC(=O)[O-] ZINC000833805583 606101069 /nfs/dbraw/zinc/10/10/69/606101069.db2.gz RGOWGSMMMRBCQQ-ZCFIWIBFSA-N -1 1 387.202 2.052 20 0 GEADMM Cc1csc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000822408394 606101808 /nfs/dbraw/zinc/10/18/08/606101808.db2.gz CSONZWGATSESDR-UHFFFAOYSA-N -1 1 398.452 2.202 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000823478110 606107433 /nfs/dbraw/zinc/10/74/33/606107433.db2.gz GSFDOFLOEWFFBV-UHFFFAOYSA-N -1 1 389.341 2.291 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000823478110 606107436 /nfs/dbraw/zinc/10/74/36/606107436.db2.gz GSFDOFLOEWFFBV-UHFFFAOYSA-N -1 1 389.341 2.291 20 0 GEADMM Cc1cnc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000822388913 606119582 /nfs/dbraw/zinc/11/95/82/606119582.db2.gz GCSRUOAWPWBQNM-NSHDSACASA-N -1 1 387.469 2.159 20 0 GEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822422885 606136803 /nfs/dbraw/zinc/13/68/03/606136803.db2.gz FJPJLIYALPWTDI-SNVBAGLBSA-N -1 1 381.440 2.459 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820507343 606136869 /nfs/dbraw/zinc/13/68/69/606136869.db2.gz GXSUASSQYLAUIP-SNVBAGLBSA-N -1 1 389.412 2.271 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820507343 606136871 /nfs/dbraw/zinc/13/68/71/606136871.db2.gz GXSUASSQYLAUIP-SNVBAGLBSA-N -1 1 389.412 2.271 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ccc(C(C)(C)C)cc2)n1 ZINC000822619816 606160213 /nfs/dbraw/zinc/16/02/13/606160213.db2.gz GTYHUTNONDXQOS-UHFFFAOYSA-N -1 1 384.444 2.098 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ccc(C(C)(C)C)cc2)n1 ZINC000822619816 606160215 /nfs/dbraw/zinc/16/02/15/606160215.db2.gz GTYHUTNONDXQOS-UHFFFAOYSA-N -1 1 384.444 2.098 20 0 GEADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821850204 606167061 /nfs/dbraw/zinc/16/70/61/606167061.db2.gz YZYHOIAQJLBVLL-HNNXBMFYSA-N -1 1 382.428 2.150 20 0 GEADMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821850204 606167062 /nfs/dbraw/zinc/16/70/62/606167062.db2.gz YZYHOIAQJLBVLL-HNNXBMFYSA-N -1 1 382.428 2.150 20 0 GEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000820920129 606171781 /nfs/dbraw/zinc/17/17/81/606171781.db2.gz LMHXREZPIBWVOV-NSHDSACASA-N -1 1 392.370 2.474 20 0 GEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000820920129 606171783 /nfs/dbraw/zinc/17/17/83/606171783.db2.gz LMHXREZPIBWVOV-NSHDSACASA-N -1 1 392.370 2.474 20 0 GEADMM Cc1[nH]c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)c1C(=O)OC(C)C ZINC000822010061 606194631 /nfs/dbraw/zinc/19/46/31/606194631.db2.gz LRAXCXYRDBWKBX-UHFFFAOYSA-N -1 1 384.396 2.335 20 0 GEADMM CCc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821477107 606201794 /nfs/dbraw/zinc/20/17/94/606201794.db2.gz YQESFRJYOVOKBH-UHFFFAOYSA-N -1 1 386.481 2.080 20 0 GEADMM CCc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821477107 606201795 /nfs/dbraw/zinc/20/17/95/606201795.db2.gz YQESFRJYOVOKBH-UHFFFAOYSA-N -1 1 386.481 2.080 20 0 GEADMM O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823397503 606206202 /nfs/dbraw/zinc/20/62/02/606206202.db2.gz WKBIURPKDBLWBZ-CQSZACIVSA-N -1 1 397.460 2.176 20 0 GEADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822958702 606293330 /nfs/dbraw/zinc/29/33/30/606293330.db2.gz CJLVVEZFARAEPB-UHFFFAOYSA-N -1 1 378.392 2.028 20 0 GEADMM O=C(COc1cccc(Br)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823043797 606295716 /nfs/dbraw/zinc/29/57/16/606295716.db2.gz ISJXEANFSBEOTO-UHFFFAOYSA-N -1 1 390.197 2.352 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000822005315 606341863 /nfs/dbraw/zinc/34/18/63/606341863.db2.gz PODHZBJOUYTZAM-CYBMUJFWSA-N -1 1 396.451 2.442 20 0 GEADMM COc1ccc(-c2nc(S[C@H]3CCCOC3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732659 606360663 /nfs/dbraw/zinc/36/06/63/606360663.db2.gz RQCIWVJEKQVHBL-LBPRGKRZSA-N -1 1 386.437 2.309 20 0 GEADMM CC[C@H](C)N1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000820875997 606393376 /nfs/dbraw/zinc/39/33/76/606393376.db2.gz JYRYMSPWXZPLPK-LKFCYVNXSA-N -1 1 389.485 2.155 20 0 GEADMM CCN(CC(=O)Nc1ccccc1OC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821165825 606440015 /nfs/dbraw/zinc/44/00/15/606440015.db2.gz WPRAMQPZAAESMY-UHFFFAOYSA-N -1 1 387.831 2.389 20 0 GEADMM CCN(CC(=O)Nc1ccccc1OC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821165825 606440017 /nfs/dbraw/zinc/44/00/17/606440017.db2.gz WPRAMQPZAAESMY-UHFFFAOYSA-N -1 1 387.831 2.389 20 0 GEADMM Clc1ccc(Sc2nnnn2Cc2cccs2)nc1-c1nnn[n-]1 ZINC000822581212 606445497 /nfs/dbraw/zinc/44/54/97/606445497.db2.gz DQCOMAWOHLONPF-UHFFFAOYSA-N -1 1 377.846 2.163 20 0 GEADMM Clc1ccc(Sc2nnnn2Cc2cccs2)nc1-c1nn[n-]n1 ZINC000822581212 606445499 /nfs/dbraw/zinc/44/54/99/606445499.db2.gz DQCOMAWOHLONPF-UHFFFAOYSA-N -1 1 377.846 2.163 20 0 GEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1cccc(F)c1 ZINC000821641133 606464747 /nfs/dbraw/zinc/46/47/47/606464747.db2.gz WSDIGAYRFZXVRG-NSHDSACASA-N -1 1 390.806 2.498 20 0 GEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1cccc(F)c1 ZINC000821641133 606464749 /nfs/dbraw/zinc/46/47/49/606464749.db2.gz WSDIGAYRFZXVRG-NSHDSACASA-N -1 1 390.806 2.498 20 0 GEADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619101 606471354 /nfs/dbraw/zinc/47/13/54/606471354.db2.gz JRPZQDSBQVZRJY-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821619101 606471355 /nfs/dbraw/zinc/47/13/55/606471355.db2.gz JRPZQDSBQVZRJY-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000822694247 606497988 /nfs/dbraw/zinc/49/79/88/606497988.db2.gz ZSSWSYVUAZJRTB-AWEZNQCLSA-N -1 1 383.412 2.320 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000822694247 606497990 /nfs/dbraw/zinc/49/79/90/606497990.db2.gz ZSSWSYVUAZJRTB-AWEZNQCLSA-N -1 1 383.412 2.320 20 0 GEADMM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350159 606507886 /nfs/dbraw/zinc/50/78/86/606507886.db2.gz BCTSMTGUQCQCTP-LBPRGKRZSA-N -1 1 384.421 2.298 20 0 GEADMM O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350159 606507888 /nfs/dbraw/zinc/50/78/88/606507888.db2.gz BCTSMTGUQCQCTP-LBPRGKRZSA-N -1 1 384.421 2.298 20 0 GEADMM O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323481 606514358 /nfs/dbraw/zinc/51/43/58/606514358.db2.gz PWRPQIKZCNELRZ-UHFFFAOYSA-N -1 1 378.417 2.391 20 0 GEADMM O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323481 606514359 /nfs/dbraw/zinc/51/43/59/606514359.db2.gz PWRPQIKZCNELRZ-UHFFFAOYSA-N -1 1 378.417 2.391 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000823483167 606522355 /nfs/dbraw/zinc/52/23/55/606522355.db2.gz DURGLRZHNYVXLT-GFCCVEGCSA-N -1 1 398.496 2.266 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000823483167 606522356 /nfs/dbraw/zinc/52/23/56/606522356.db2.gz DURGLRZHNYVXLT-GFCCVEGCSA-N -1 1 398.496 2.266 20 0 GEADMM O=C(COc1ccccc1Cc1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823054930 606531359 /nfs/dbraw/zinc/53/13/59/606531359.db2.gz HNQJBHAFTGPVPF-UHFFFAOYSA-N -1 1 375.392 2.198 20 0 GEADMM O=C(COc1ccccc1Cc1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823054930 606531362 /nfs/dbraw/zinc/53/13/62/606531362.db2.gz HNQJBHAFTGPVPF-UHFFFAOYSA-N -1 1 375.392 2.198 20 0 GEADMM COCCOC(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821692508 606534922 /nfs/dbraw/zinc/53/49/22/606534922.db2.gz ZVMCRYWXXUJMTC-UHFFFAOYSA-N -1 1 388.409 2.375 20 0 GEADMM COCCOC(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821692508 606534924 /nfs/dbraw/zinc/53/49/24/606534924.db2.gz ZVMCRYWXXUJMTC-UHFFFAOYSA-N -1 1 388.409 2.375 20 0 GEADMM O=C(CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)NC1CCCC1 ZINC000822945657 606535343 /nfs/dbraw/zinc/53/53/43/606535343.db2.gz MXMAKXYKGBLBTA-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM O=C(CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)NC1CCCC1 ZINC000822945657 606535344 /nfs/dbraw/zinc/53/53/44/606535344.db2.gz MXMAKXYKGBLBTA-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(Cc2ccccc2)no1 ZINC000820396893 606544497 /nfs/dbraw/zinc/54/44/97/606544497.db2.gz JGPYVMFGCIYJHF-JTQLQIEISA-N -1 1 381.421 2.393 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(Cc2ccccc2)no1 ZINC000820396893 606544498 /nfs/dbraw/zinc/54/44/98/606544498.db2.gz JGPYVMFGCIYJHF-JTQLQIEISA-N -1 1 381.421 2.393 20 0 GEADMM COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000821860143 606550898 /nfs/dbraw/zinc/55/08/98/606550898.db2.gz XQKLVNHWXBKFHL-ZDUSSCGKSA-N -1 1 398.492 2.456 20 0 GEADMM COc1cccc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC000821871644 606565263 /nfs/dbraw/zinc/56/52/63/606565263.db2.gz BWZWZSSLGYOPFU-LBPRGKRZSA-N -1 1 384.465 2.336 20 0 GEADMM COc1cccc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC000821871644 606565266 /nfs/dbraw/zinc/56/52/66/606565266.db2.gz BWZWZSSLGYOPFU-LBPRGKRZSA-N -1 1 384.465 2.336 20 0 GEADMM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000823175254 606581588 /nfs/dbraw/zinc/58/15/88/606581588.db2.gz DANQEGJWJAARLX-CQSZACIVSA-N -1 1 396.476 2.353 20 0 GEADMM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000823175254 606581590 /nfs/dbraw/zinc/58/15/90/606581590.db2.gz DANQEGJWJAARLX-CQSZACIVSA-N -1 1 396.476 2.353 20 0 GEADMM CO[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1(C)C ZINC000821678442 606606432 /nfs/dbraw/zinc/60/64/32/606606432.db2.gz NTZHELNTWRZPTQ-OLZOCXBDSA-N -1 1 388.497 2.404 20 0 GEADMM C[C@@H]1CC/C(=C/C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820678737 606618917 /nfs/dbraw/zinc/61/89/17/606618917.db2.gz XUFMLCIGCCLHDX-NPRUJURCSA-N -1 1 383.456 2.127 20 0 GEADMM O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823223519 606627817 /nfs/dbraw/zinc/62/78/17/606627817.db2.gz AZCYYGPROXBEFR-UHFFFAOYSA-N -1 1 377.433 2.358 20 0 GEADMM O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823223519 606627819 /nfs/dbraw/zinc/62/78/19/606627819.db2.gz AZCYYGPROXBEFR-UHFFFAOYSA-N -1 1 377.433 2.358 20 0 GEADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000820822001 606633249 /nfs/dbraw/zinc/63/32/49/606633249.db2.gz WZAMYOUFKAYEJI-WCQYABFASA-N -1 1 389.460 2.434 20 0 GEADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000820822001 606633250 /nfs/dbraw/zinc/63/32/50/606633250.db2.gz WZAMYOUFKAYEJI-WCQYABFASA-N -1 1 389.460 2.434 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C1CC1)C(F)(F)F ZINC000822010092 606642273 /nfs/dbraw/zinc/64/22/73/606642273.db2.gz MTIXHULMDIUOSQ-ZDUSSCGKSA-N -1 1 385.346 2.401 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cccnc2NC(C)C)c(-c2nn[n-]n2)c1C ZINC000822548003 606643667 /nfs/dbraw/zinc/64/36/67/606643667.db2.gz DMQGRASIBKQHEQ-UHFFFAOYSA-N -1 1 399.411 2.087 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1cccc(C)c1 ZINC000822284764 606647372 /nfs/dbraw/zinc/64/73/72/606647372.db2.gz ZCXSVTYUWSYRHI-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1cccc(C)c1 ZINC000822284764 606647373 /nfs/dbraw/zinc/64/73/73/606647373.db2.gz ZCXSVTYUWSYRHI-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1nn(CC(C)C)c(C)c1CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822500852 606651112 /nfs/dbraw/zinc/65/11/12/606651112.db2.gz JNKFGXMOQBXUOY-UHFFFAOYSA-N -1 1 383.456 2.407 20 0 GEADMM Cc1nn(CC(C)C)c(C)c1CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822500852 606651113 /nfs/dbraw/zinc/65/11/13/606651113.db2.gz JNKFGXMOQBXUOY-UHFFFAOYSA-N -1 1 383.456 2.407 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCCc2cccc(Br)c2)n1 ZINC000822604950 606735786 /nfs/dbraw/zinc/73/57/86/606735786.db2.gz RNCQLTOKYWJXNE-UHFFFAOYSA-N -1 1 390.245 2.324 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCCc2cccc(Br)c2)n1 ZINC000822604950 606735787 /nfs/dbraw/zinc/73/57/87/606735787.db2.gz RNCQLTOKYWJXNE-UHFFFAOYSA-N -1 1 390.245 2.324 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823600659 606745015 /nfs/dbraw/zinc/74/50/15/606745015.db2.gz KGKHVWGJQWDYDD-GFCCVEGCSA-N -1 1 391.403 2.323 20 0 GEADMM Cc1oc(NC(=O)COC(=O)Cc2cccc(F)c2F)c(-c2nn[n-]n2)c1C ZINC000822547951 606753714 /nfs/dbraw/zinc/75/37/14/606753714.db2.gz DEJSZJGYQZOAAD-UHFFFAOYSA-N -1 1 391.334 2.079 20 0 GEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)cc1F ZINC000822168981 606760311 /nfs/dbraw/zinc/76/03/11/606760311.db2.gz WCXDZXVUIPVDAS-UHFFFAOYSA-N -1 1 375.747 2.402 20 0 GEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)cc1F ZINC000822168981 606760314 /nfs/dbraw/zinc/76/03/14/606760314.db2.gz WCXDZXVUIPVDAS-UHFFFAOYSA-N -1 1 375.747 2.402 20 0 GEADMM CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821230750 606763366 /nfs/dbraw/zinc/76/33/66/606763366.db2.gz PPFJQLDZULNQRC-UHFFFAOYSA-N -1 1 383.355 2.499 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2ccc(Cl)cc21 ZINC000823607776 606764173 /nfs/dbraw/zinc/76/41/73/606764173.db2.gz WWFIFCCFUOQYNB-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=C(OCCOc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823410569 606765409 /nfs/dbraw/zinc/76/54/09/606765409.db2.gz ZMKMHNCQKCPWMC-UHFFFAOYSA-N -1 1 396.226 2.322 20 0 GEADMM O=C(OCCOc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823410569 606765411 /nfs/dbraw/zinc/76/54/11/606765411.db2.gz ZMKMHNCQKCPWMC-UHFFFAOYSA-N -1 1 396.226 2.322 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000820788357 606767628 /nfs/dbraw/zinc/76/76/28/606767628.db2.gz FBOAAARQKXJNAR-LLVKDONJSA-N -1 1 399.846 2.053 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000820788357 606767629 /nfs/dbraw/zinc/76/76/29/606767629.db2.gz FBOAAARQKXJNAR-LLVKDONJSA-N -1 1 399.846 2.053 20 0 GEADMM O=S(=O)([N-]c1cc(CCc2ccccc2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000823583658 606780257 /nfs/dbraw/zinc/78/02/57/606780257.db2.gz XJWUEFZKFNANRR-UHFFFAOYSA-N -1 1 395.448 2.176 20 0 GEADMM COc1ccccc1N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000821898370 606809395 /nfs/dbraw/zinc/80/93/95/606809395.db2.gz NUPOYCKUZBPAKA-MRVPVSSYSA-N -1 1 391.844 2.203 20 0 GEADMM COc1ccccc1N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000821898370 606809397 /nfs/dbraw/zinc/80/93/97/606809397.db2.gz NUPOYCKUZBPAKA-MRVPVSSYSA-N -1 1 391.844 2.203 20 0 GEADMM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823241781 606812035 /nfs/dbraw/zinc/81/20/35/606812035.db2.gz FXWCNGWYAWQCHB-UHFFFAOYSA-N -1 1 395.347 2.188 20 0 GEADMM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823241781 606812036 /nfs/dbraw/zinc/81/20/36/606812036.db2.gz FXWCNGWYAWQCHB-UHFFFAOYSA-N -1 1 395.347 2.188 20 0 GEADMM CCCC[C@@H](CC)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821040125 606824013 /nfs/dbraw/zinc/82/40/13/606824013.db2.gz IRQNPVIOVYSONU-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM CCCC[C@@H](CC)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821040125 606824014 /nfs/dbraw/zinc/82/40/14/606824014.db2.gz IRQNPVIOVYSONU-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM CCC(CC)(CCO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000820887967 606825077 /nfs/dbraw/zinc/82/50/77/606825077.db2.gz ZMEBLUOZYKLIOB-UHFFFAOYSA-N -1 1 386.456 2.477 20 0 GEADMM CCC(CC)(CCO)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000820887967 606825079 /nfs/dbraw/zinc/82/50/79/606825079.db2.gz ZMEBLUOZYKLIOB-UHFFFAOYSA-N -1 1 386.456 2.477 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000822248677 606832271 /nfs/dbraw/zinc/83/22/71/606832271.db2.gz IEZJCYUJAUDXHZ-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000822248677 606832272 /nfs/dbraw/zinc/83/22/72/606832272.db2.gz IEZJCYUJAUDXHZ-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(CCC(F)(F)F)CC1CC1 ZINC000823601119 606845748 /nfs/dbraw/zinc/84/57/48/606845748.db2.gz RWDMDCHUFDLJKA-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823606201 606845964 /nfs/dbraw/zinc/84/59/64/606845964.db2.gz GHFJERZVYWCQSH-STQMWFEESA-N -1 1 383.474 2.055 20 0 GEADMM COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000821828284 606865912 /nfs/dbraw/zinc/86/59/12/606865912.db2.gz RQKVTXIBZSVZOR-UHFFFAOYSA-N -1 1 397.819 2.493 20 0 GEADMM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820814199 606889808 /nfs/dbraw/zinc/88/98/08/606889808.db2.gz STPPJKPGAFAHNH-BJOHPYRUSA-N -1 1 391.403 2.357 20 0 GEADMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822340813 606890518 /nfs/dbraw/zinc/89/05/18/606890518.db2.gz IVENKULEJHNYIY-HNNXBMFYSA-N -1 1 391.403 2.419 20 0 GEADMM CCc1nnc(Sc2nnc(N3CCCC3)s2)c(-c2nn[n-]n2)c1CC ZINC000821548549 606911844 /nfs/dbraw/zinc/91/18/44/606911844.db2.gz NOHKVYCNRPTSDM-UHFFFAOYSA-N -1 1 389.514 2.384 20 0 GEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000821022793 606941339 /nfs/dbraw/zinc/94/13/39/606941339.db2.gz UXUYUQUFJSDDPE-AWEZNQCLSA-N -1 1 394.407 2.360 20 0 GEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000821022793 606941340 /nfs/dbraw/zinc/94/13/40/606941340.db2.gz UXUYUQUFJSDDPE-AWEZNQCLSA-N -1 1 394.407 2.360 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC(C(F)F)CC1 ZINC000823600698 607006791 /nfs/dbraw/zinc/00/67/91/607006791.db2.gz KRGJGJDSZFUNHW-UHFFFAOYSA-N -1 1 377.804 2.186 20 0 GEADMM CCOC(=O)C(C)(C)n1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000821314758 607032328 /nfs/dbraw/zinc/03/23/28/607032328.db2.gz NHTFELVGRDFQSX-UHFFFAOYSA-N -1 1 393.411 2.048 20 0 GEADMM CCOC(=O)C(C)(C)n1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000821314758 607032329 /nfs/dbraw/zinc/03/23/29/607032329.db2.gz NHTFELVGRDFQSX-UHFFFAOYSA-N -1 1 393.411 2.048 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1C1CCCCC1 ZINC000823511121 607035369 /nfs/dbraw/zinc/03/53/69/607035369.db2.gz CWQIFQAEFSMCMB-MRXNPFEDSA-N -1 1 377.452 2.182 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1C1CCCCC1 ZINC000823511121 607035370 /nfs/dbraw/zinc/03/53/70/607035370.db2.gz CWQIFQAEFSMCMB-MRXNPFEDSA-N -1 1 377.452 2.182 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCOC2(CCCC2)C1 ZINC000822535441 607070136 /nfs/dbraw/zinc/07/01/36/607070136.db2.gz RKUNLJFBNMCSBX-UHFFFAOYSA-N -1 1 382.424 2.344 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCOC2(CCCC2)C1 ZINC000822535441 607070137 /nfs/dbraw/zinc/07/01/37/607070137.db2.gz RKUNLJFBNMCSBX-UHFFFAOYSA-N -1 1 382.424 2.344 20 0 GEADMM CCC(CC)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820893575 607091176 /nfs/dbraw/zinc/09/11/76/607091176.db2.gz RJBGUGZSPWGVRT-UHFFFAOYSA-N -1 1 397.439 2.360 20 0 GEADMM CCC(CC)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820893575 607091177 /nfs/dbraw/zinc/09/11/77/607091177.db2.gz RJBGUGZSPWGVRT-UHFFFAOYSA-N -1 1 397.439 2.360 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000823383355 607104098 /nfs/dbraw/zinc/10/40/98/607104098.db2.gz QBKLMVOOANCBAT-UHFFFAOYSA-N -1 1 396.411 2.389 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000823383355 607104100 /nfs/dbraw/zinc/10/41/00/607104100.db2.gz QBKLMVOOANCBAT-UHFFFAOYSA-N -1 1 396.411 2.389 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000823380295 607110636 /nfs/dbraw/zinc/11/06/36/607110636.db2.gz VDUZTLZLOWSXMB-AWEZNQCLSA-N -1 1 383.437 2.016 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000823380295 607110637 /nfs/dbraw/zinc/11/06/37/607110637.db2.gz VDUZTLZLOWSXMB-AWEZNQCLSA-N -1 1 383.437 2.016 20 0 GEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)c1C ZINC000821568373 607122429 /nfs/dbraw/zinc/12/24/29/607122429.db2.gz RLYKSRBXYMGWNP-UHFFFAOYSA-N -1 1 381.849 2.154 20 0 GEADMM CCc1cc(C)c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000821471264 607145517 /nfs/dbraw/zinc/14/55/17/607145517.db2.gz XPDRGTIHDVMJKD-UHFFFAOYSA-N -1 1 397.439 2.158 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCc2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC000821976812 607160859 /nfs/dbraw/zinc/16/08/59/607160859.db2.gz DKFKRZGDWZCOEO-UHFFFAOYSA-N -1 1 384.465 2.279 20 0 GEADMM O=C(CCn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000822986801 607161838 /nfs/dbraw/zinc/16/18/38/607161838.db2.gz LPCQFMYRQWLHCU-UHFFFAOYSA-N -1 1 376.380 2.279 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2cccc(F)c21 ZINC000823607906 607172533 /nfs/dbraw/zinc/17/25/33/607172533.db2.gz YQEJUOOEZRVRAT-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2cccc(F)c21 ZINC000823607906 607172534 /nfs/dbraw/zinc/17/25/34/607172534.db2.gz YQEJUOOEZRVRAT-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM CCC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821023119 607212276 /nfs/dbraw/zinc/21/22/76/607212276.db2.gz WYEJFQKNFPDFPP-GFCCVEGCSA-N -1 1 394.361 2.135 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000823125736 607212578 /nfs/dbraw/zinc/21/25/78/607212578.db2.gz CLXAJGSFZNFFLX-UHFFFAOYSA-N -1 1 386.847 2.087 20 0 GEADMM Cc1c2ccccc2oc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC000822020319 607216733 /nfs/dbraw/zinc/21/67/33/607216733.db2.gz AFKSAJZCZWUDFI-OAHLLOKOSA-N -1 1 380.412 2.026 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000823127287 607218015 /nfs/dbraw/zinc/21/80/15/607218015.db2.gz YYVRHFKIYZTQHI-AWEZNQCLSA-N -1 1 386.847 2.256 20 0 GEADMM O=C([N-]CCCSc1nc2c(cc1-c1nn[nH]n1)CCCC2)C(F)(F)F ZINC000823196507 607224655 /nfs/dbraw/zinc/22/46/55/607224655.db2.gz HIKZKQQPTVSONX-UHFFFAOYSA-N -1 1 386.403 2.301 20 0 GEADMM CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821990327 607240070 /nfs/dbraw/zinc/24/00/70/607240070.db2.gz RKKPZOQOSQSVQD-UHFFFAOYSA-N -1 1 378.421 2.422 20 0 GEADMM CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821990327 607240071 /nfs/dbraw/zinc/24/00/71/607240071.db2.gz RKKPZOQOSQSVQD-UHFFFAOYSA-N -1 1 378.421 2.422 20 0 GEADMM CCN(CCc1nccs1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825428510 607818720 /nfs/dbraw/zinc/81/87/20/607818720.db2.gz PBDDJFKJQJDMIS-UHFFFAOYSA-N -1 1 398.901 2.230 20 0 GEADMM CCN(CCc1nccs1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825428510 607818721 /nfs/dbraw/zinc/81/87/21/607818721.db2.gz PBDDJFKJQJDMIS-UHFFFAOYSA-N -1 1 398.901 2.230 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826231458 607862877 /nfs/dbraw/zinc/86/28/77/607862877.db2.gz MCOUVTNWGNKUHR-RISCZKNCSA-N -1 1 388.497 2.094 20 0 GEADMM O=S(=O)(CCCOc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826484606 607865584 /nfs/dbraw/zinc/86/55/84/607865584.db2.gz JHCVFEXAXHZFLO-UHFFFAOYSA-N -1 1 380.376 2.388 20 0 GEADMM O=S(=O)(CCCOc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826484606 607865585 /nfs/dbraw/zinc/86/55/85/607865585.db2.gz JHCVFEXAXHZFLO-UHFFFAOYSA-N -1 1 380.376 2.388 20 0 GEADMM COc1cc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000826180048 607867803 /nfs/dbraw/zinc/86/78/03/607867803.db2.gz QEIVTHTWGRSBRK-UHFFFAOYSA-N -1 1 386.311 2.060 20 0 GEADMM COc1cc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000826180048 607867804 /nfs/dbraw/zinc/86/78/04/607867804.db2.gz QEIVTHTWGRSBRK-UHFFFAOYSA-N -1 1 386.311 2.060 20 0 GEADMM c1ccc2sc(CN3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)nc2c1 ZINC000826514239 607903199 /nfs/dbraw/zinc/90/31/99/607903199.db2.gz LUCCEFPVMHBMSO-UHFFFAOYSA-N -1 1 378.465 2.194 20 0 GEADMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826328738 607910818 /nfs/dbraw/zinc/91/08/18/607910818.db2.gz AXQHRAWUHUJSRK-HNNXBMFYSA-N -1 1 388.435 2.225 20 0 GEADMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826328738 607910819 /nfs/dbraw/zinc/91/08/19/607910819.db2.gz AXQHRAWUHUJSRK-HNNXBMFYSA-N -1 1 388.435 2.225 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCc2nccc(C)n2)c1-c1nnn[n-]1 ZINC000826231316 607914594 /nfs/dbraw/zinc/91/45/94/607914594.db2.gz GSGRERRUVUAVIQ-UHFFFAOYSA-N -1 1 383.437 2.316 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCc2nccc(C)n2)c1-c1nn[n-]n1 ZINC000826231316 607914595 /nfs/dbraw/zinc/91/45/95/607914595.db2.gz GSGRERRUVUAVIQ-UHFFFAOYSA-N -1 1 383.437 2.316 20 0 GEADMM CCn1c(=O)c2cc(F)ccc2nc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825796361 607933387 /nfs/dbraw/zinc/93/33/87/607933387.db2.gz DIRGUVRQLDLLML-UHFFFAOYSA-N -1 1 383.412 2.423 20 0 GEADMM CCn1c(=O)c2cc(F)ccc2nc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825796361 607933388 /nfs/dbraw/zinc/93/33/88/607933388.db2.gz DIRGUVRQLDLLML-UHFFFAOYSA-N -1 1 383.412 2.423 20 0 GEADMM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000826461409 607983077 /nfs/dbraw/zinc/98/30/77/607983077.db2.gz TYEZIOWGNOURTN-UHFFFAOYSA-N -1 1 387.421 2.075 20 0 GEADMM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826493009 607985793 /nfs/dbraw/zinc/98/57/93/607985793.db2.gz OSZMHZCLRXDESP-UHFFFAOYSA-N -1 1 391.363 2.481 20 0 GEADMM c1sc(C2CC2)nc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826527112 607986091 /nfs/dbraw/zinc/98/60/91/607986091.db2.gz ZIBQHTMHLJNEFR-UHFFFAOYSA-N -1 1 398.496 2.388 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(OCC(F)F)nc2)n1 ZINC000824148415 608065996 /nfs/dbraw/zinc/06/59/96/608065996.db2.gz UDYJSGHWAZOHPP-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(OCC(F)F)nc2)n1 ZINC000824148415 608065997 /nfs/dbraw/zinc/06/59/97/608065997.db2.gz UDYJSGHWAZOHPP-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825158829 608072158 /nfs/dbraw/zinc/07/21/58/608072158.db2.gz BLSNUOYUDYUFAA-MRXNPFEDSA-N -1 1 380.408 2.028 20 0 GEADMM CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825158829 608072159 /nfs/dbraw/zinc/07/21/59/608072159.db2.gz BLSNUOYUDYUFAA-MRXNPFEDSA-N -1 1 380.408 2.028 20 0 GEADMM COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826187816 608087697 /nfs/dbraw/zinc/08/76/97/608087697.db2.gz FZGBBXXNGFDYEQ-QFBILLFUSA-N -1 1 399.476 2.449 20 0 GEADMM COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826187816 608087698 /nfs/dbraw/zinc/08/76/98/608087698.db2.gz FZGBBXXNGFDYEQ-QFBILLFUSA-N -1 1 399.476 2.449 20 0 GEADMM COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826187817 608087814 /nfs/dbraw/zinc/08/78/14/608087814.db2.gz FZGBBXXNGFDYEQ-VQIMIIECSA-N -1 1 399.476 2.449 20 0 GEADMM COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826187817 608087815 /nfs/dbraw/zinc/08/78/15/608087815.db2.gz FZGBBXXNGFDYEQ-VQIMIIECSA-N -1 1 399.476 2.449 20 0 GEADMM COc1cc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)ccn1 ZINC000826180272 608103330 /nfs/dbraw/zinc/10/33/30/608103330.db2.gz ZYSHXDIENSKDSD-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM COc1cc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)ccn1 ZINC000826180272 608103331 /nfs/dbraw/zinc/10/33/31/608103331.db2.gz ZYSHXDIENSKDSD-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)C(=O)OC(C)(C)C ZINC000826340576 608103474 /nfs/dbraw/zinc/10/34/74/608103474.db2.gz CZLBMOBKIVTMNN-NSHDSACASA-N -1 1 387.396 2.446 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)C(=O)OC(C)(C)C ZINC000826340576 608103475 /nfs/dbraw/zinc/10/34/75/608103475.db2.gz CZLBMOBKIVTMNN-NSHDSACASA-N -1 1 387.396 2.446 20 0 GEADMM CCc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)s1 ZINC000825767619 608144842 /nfs/dbraw/zinc/14/48/42/608144842.db2.gz NHRZNUBUPHHEGD-UHFFFAOYSA-N -1 1 385.409 2.330 20 0 GEADMM CCc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)s1 ZINC000825767619 608144843 /nfs/dbraw/zinc/14/48/43/608144843.db2.gz NHRZNUBUPHHEGD-UHFFFAOYSA-N -1 1 385.409 2.330 20 0 GEADMM O=C(COc1ccccc1Br)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826419379 608171275 /nfs/dbraw/zinc/17/12/75/608171275.db2.gz VDYMMVYWHCRRQQ-UHFFFAOYSA-N -1 1 390.197 2.352 20 0 GEADMM O=S(=O)(CCNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000826485399 608180219 /nfs/dbraw/zinc/18/02/19/608180219.db2.gz OYYBDSBIPKCKLN-UHFFFAOYSA-N -1 1 384.874 2.004 20 0 GEADMM O=S(=O)(CCNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000826485399 608180220 /nfs/dbraw/zinc/18/02/20/608180220.db2.gz OYYBDSBIPKCKLN-UHFFFAOYSA-N -1 1 384.874 2.004 20 0 GEADMM NC(=O)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccccc1Cl ZINC000826389466 608182948 /nfs/dbraw/zinc/18/29/48/608182948.db2.gz YZGOBYBUEJKURX-QMMMGPOBSA-N -1 1 398.279 2.386 20 0 GEADMM NC(=O)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccccc1Cl ZINC000826389466 608182950 /nfs/dbraw/zinc/18/29/50/608182950.db2.gz YZGOBYBUEJKURX-QMMMGPOBSA-N -1 1 398.279 2.386 20 0 GEADMM Cn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000826356503 608191067 /nfs/dbraw/zinc/19/10/67/608191067.db2.gz TZTJZLUMENDCHB-UHFFFAOYSA-N -1 1 377.846 2.318 20 0 GEADMM Cn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1-c1ccccn1 ZINC000826356503 608191068 /nfs/dbraw/zinc/19/10/68/608191068.db2.gz TZTJZLUMENDCHB-UHFFFAOYSA-N -1 1 377.846 2.318 20 0 GEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000826104513 608192360 /nfs/dbraw/zinc/19/23/60/608192360.db2.gz YBTXUXXQQCQVJV-VIFPVBQESA-N -1 1 398.807 2.148 20 0 GEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000826104513 608192362 /nfs/dbraw/zinc/19/23/62/608192362.db2.gz YBTXUXXQQCQVJV-VIFPVBQESA-N -1 1 398.807 2.148 20 0 GEADMM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825833390 608192632 /nfs/dbraw/zinc/19/26/32/608192632.db2.gz HKLDEGXYEAQWKO-JTQLQIEISA-N -1 1 377.861 2.088 20 0 GEADMM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825833390 608192633 /nfs/dbraw/zinc/19/26/33/608192633.db2.gz HKLDEGXYEAQWKO-JTQLQIEISA-N -1 1 377.861 2.088 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229899 608209346 /nfs/dbraw/zinc/20/93/46/608209346.db2.gz WCVAKVQAOKAZOM-CABZTGNLSA-N -1 1 392.485 2.013 20 0 GEADMM CSc1cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccn1 ZINC000826230400 608249786 /nfs/dbraw/zinc/24/97/86/608249786.db2.gz RIWZMAMOQTZVGT-UHFFFAOYSA-N -1 1 396.885 2.116 20 0 GEADMM O=C(OC[C@@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826478386 608251120 /nfs/dbraw/zinc/25/11/20/608251120.db2.gz AKJYABQCOHKUQW-NSHDSACASA-N -1 1 397.366 2.091 20 0 GEADMM O=C(OC[C@@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826478386 608251122 /nfs/dbraw/zinc/25/11/22/608251122.db2.gz AKJYABQCOHKUQW-NSHDSACASA-N -1 1 397.366 2.091 20 0 GEADMM Cc1sc2nc(COC(=O)c3sccc3-c3nn[n-]n3)nc(N)c2c1C ZINC000826350028 608253869 /nfs/dbraw/zinc/25/38/69/608253869.db2.gz FJADVNWPMKLIKK-UHFFFAOYSA-N -1 1 387.450 2.489 20 0 GEADMM Cc1oc(NC(=O)COC(=O)C=C2CCSCC2)c(-c2nn[n-]n2)c1C ZINC000826342684 608257423 /nfs/dbraw/zinc/25/74/23/608257423.db2.gz VZJIJZUUQAWCCI-UHFFFAOYSA-N -1 1 377.426 2.012 20 0 GEADMM CC[C@@H](CSC)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825125203 608306592 /nfs/dbraw/zinc/30/65/92/608306592.db2.gz BIWSBFIEEHGXQA-JTQLQIEISA-N -1 1 375.907 2.282 20 0 GEADMM CCCC[C@H](CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825261299 608338360 /nfs/dbraw/zinc/33/83/60/608338360.db2.gz WDSZXJBCZMUXNO-LBPRGKRZSA-N -1 1 390.492 2.089 20 0 GEADMM CCCC[C@H](CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825261299 608338362 /nfs/dbraw/zinc/33/83/62/608338362.db2.gz WDSZXJBCZMUXNO-LBPRGKRZSA-N -1 1 390.492 2.089 20 0 GEADMM CC(C)c1ccc(C[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000824459075 608343107 /nfs/dbraw/zinc/34/31/07/608343107.db2.gz ZMUAAGFQIHCUQU-ZDUSSCGKSA-N -1 1 386.481 2.295 20 0 GEADMM CC(C)c1ccc(C[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000824459075 608343109 /nfs/dbraw/zinc/34/31/09/608343109.db2.gz ZMUAAGFQIHCUQU-ZDUSSCGKSA-N -1 1 386.481 2.295 20 0 GEADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000823988126 608349251 /nfs/dbraw/zinc/34/92/51/608349251.db2.gz DBXKKOZYEOIWKO-SNVBAGLBSA-N -1 1 380.499 2.086 20 0 GEADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823988126 608349253 /nfs/dbraw/zinc/34/92/53/608349253.db2.gz DBXKKOZYEOIWKO-SNVBAGLBSA-N -1 1 380.499 2.086 20 0 GEADMM O=S(=O)(CCNc1cc(-c2nnn[n-]2)nc2ccccc21)Cc1ccccc1 ZINC000826485076 608376120 /nfs/dbraw/zinc/37/61/20/608376120.db2.gz BEFQTTXMIKKPIO-UHFFFAOYSA-N -1 1 394.460 2.442 20 0 GEADMM O=S(=O)(CCNc1cc(-c2nn[n-]n2)nc2ccccc21)Cc1ccccc1 ZINC000826485076 608376122 /nfs/dbraw/zinc/37/61/22/608376122.db2.gz BEFQTTXMIKKPIO-UHFFFAOYSA-N -1 1 394.460 2.442 20 0 GEADMM O=S(=O)([N-]Cc1cccc(-c2nn[nH]n2)c1)c1c(Cl)ccnc1Cl ZINC000826492224 608381136 /nfs/dbraw/zinc/38/11/36/608381136.db2.gz YMFRPMVAYYCNMP-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM COc1ccc(Br)cc1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826186645 608389937 /nfs/dbraw/zinc/38/99/37/608389937.db2.gz FFSYATZKVSOVDP-UHFFFAOYSA-N -1 1 376.218 2.064 20 0 GEADMM COc1ccc(Br)cc1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826186645 608389939 /nfs/dbraw/zinc/38/99/39/608389939.db2.gz FFSYATZKVSOVDP-UHFFFAOYSA-N -1 1 376.218 2.064 20 0 GEADMM Brc1ccc2[nH]c3c(c2c1)CN(c1ccc(-c2nnn[n-]2)nn1)CC3 ZINC000823832752 608394442 /nfs/dbraw/zinc/39/44/42/608394442.db2.gz VQVOHASEWOVBNU-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM Brc1ccc2[nH]c3c(c2c1)CN(c1ccc(-c2nn[n-]n2)nn1)CC3 ZINC000823832752 608394444 /nfs/dbraw/zinc/39/44/44/608394444.db2.gz VQVOHASEWOVBNU-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM Brc1cccc2c3c([nH]c21)CCN(c1ccc(-c2nnn[n-]2)nn1)C3 ZINC000823831804 608402763 /nfs/dbraw/zinc/40/27/63/608402763.db2.gz DIQWRTOYXZUMKE-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM Brc1cccc2c3c([nH]c21)CCN(c1ccc(-c2nn[n-]n2)nn1)C3 ZINC000823831804 608402764 /nfs/dbraw/zinc/40/27/64/608402764.db2.gz DIQWRTOYXZUMKE-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM Fc1cccc(-c2noc([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)nn4)C3)n2)c1 ZINC000826376559 608410894 /nfs/dbraw/zinc/41/08/94/608410894.db2.gz JDIZCRJWORRDBJ-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1cccc(-c2noc([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)nn4)C3)n2)c1 ZINC000826376559 608410895 /nfs/dbraw/zinc/41/08/95/608410895.db2.gz JDIZCRJWORRDBJ-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM CC[C@@H](CSC)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825128106 608425088 /nfs/dbraw/zinc/42/50/88/608425088.db2.gz QQHPSXYOIMJZTF-VIFPVBQESA-N -1 1 395.432 2.305 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2cccc(F)c2C1 ZINC000826495202 608449133 /nfs/dbraw/zinc/44/91/33/608449133.db2.gz HEQPZMFGRLRNCP-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2cccc(F)c2C1 ZINC000826495202 608449134 /nfs/dbraw/zinc/44/91/34/608449134.db2.gz HEQPZMFGRLRNCP-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM Cc1nc(CCOC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cs1 ZINC000826325866 608457065 /nfs/dbraw/zinc/45/70/65/608457065.db2.gz OVSFMROZGWHWBF-UHFFFAOYSA-N -1 1 388.453 2.068 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1F ZINC000825930688 608549033 /nfs/dbraw/zinc/54/90/33/608549033.db2.gz WNALDYMMJVOHDJ-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1F ZINC000825930688 608549035 /nfs/dbraw/zinc/54/90/35/608549035.db2.gz WNALDYMMJVOHDJ-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826472239 608821032 /nfs/dbraw/zinc/82/10/32/608821032.db2.gz DDZYHJXAGVJAIU-SKDRFNHKSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826472239 608821036 /nfs/dbraw/zinc/82/10/36/608821036.db2.gz DDZYHJXAGVJAIU-SKDRFNHKSA-N -1 1 377.376 2.155 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000824999640 608834255 /nfs/dbraw/zinc/83/42/55/608834255.db2.gz IRSBHYZMTRVRGZ-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000824999640 608834257 /nfs/dbraw/zinc/83/42/57/608834257.db2.gz IRSBHYZMTRVRGZ-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cscc1Cl ZINC000825001370 608839920 /nfs/dbraw/zinc/83/99/20/608839920.db2.gz ZZNFAWCHCKWISO-JTQLQIEISA-N -1 1 376.877 2.082 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cscc1Cl ZINC000825001370 608839922 /nfs/dbraw/zinc/83/99/22/608839922.db2.gz ZZNFAWCHCKWISO-JTQLQIEISA-N -1 1 376.877 2.082 20 0 GEADMM Cc1ccc(CCC2CCN(C(=O)Cn3ccnc3-c3nnn[n-]3)CC2)cc1 ZINC000826287065 608890335 /nfs/dbraw/zinc/89/03/35/608890335.db2.gz BHSNXIOIXJPJHZ-UHFFFAOYSA-N -1 1 379.468 2.243 20 0 GEADMM Cc1ccc(CCC2CCN(C(=O)Cn3ccnc3-c3nn[n-]n3)CC2)cc1 ZINC000826287065 608890338 /nfs/dbraw/zinc/89/03/38/608890338.db2.gz BHSNXIOIXJPJHZ-UHFFFAOYSA-N -1 1 379.468 2.243 20 0 GEADMM CC[C@H](C)[C@@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825049508 609144261 /nfs/dbraw/zinc/14/42/61/609144261.db2.gz BUDBQKSALPADIE-QWHCGFSZSA-N -1 1 399.455 2.446 20 0 GEADMM CCS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000825669389 609169720 /nfs/dbraw/zinc/16/97/20/609169720.db2.gz XAUUUVOVSGQDQZ-UHFFFAOYSA-N -1 1 395.448 2.216 20 0 GEADMM CCS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000825669389 609169722 /nfs/dbraw/zinc/16/97/22/609169722.db2.gz XAUUUVOVSGQDQZ-UHFFFAOYSA-N -1 1 395.448 2.216 20 0 GEADMM O=C1OCCN1CCCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826483660 609176883 /nfs/dbraw/zinc/17/68/83/609176883.db2.gz VMJGCZBMOSQOIO-UHFFFAOYSA-N -1 1 381.396 2.308 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(O)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826229738 609254190 /nfs/dbraw/zinc/25/41/90/609254190.db2.gz PMMKKBCOKSLYFW-UHFFFAOYSA-N -1 1 378.801 2.301 20 0 GEADMM COc1cccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826215458 609287657 /nfs/dbraw/zinc/28/76/57/609287657.db2.gz PJHVSJOGGOEMOQ-UHFFFAOYSA-N -1 1 393.382 2.381 20 0 GEADMM CCc1noc(C)c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825770518 609288957 /nfs/dbraw/zinc/28/89/57/609288957.db2.gz ADMFEMPDZDNNEK-UHFFFAOYSA-N -1 1 382.359 2.303 20 0 GEADMM COc1ccc(C[C@@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000826190760 609297077 /nfs/dbraw/zinc/29/70/77/609297077.db2.gz MKIJZECGOHZPDG-LLVKDONJSA-N -1 1 383.408 2.407 20 0 GEADMM CC[C@](C)(NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1nccs1 ZINC000825043098 609299808 /nfs/dbraw/zinc/29/98/08/609299808.db2.gz DUMKFMYOFDHJNS-HNNXBMFYSA-N -1 1 391.482 2.201 20 0 GEADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826283451 609301176 /nfs/dbraw/zinc/30/11/76/609301176.db2.gz REJJFVQFVLFYJH-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826283451 609301179 /nfs/dbraw/zinc/30/11/79/609301179.db2.gz REJJFVQFVLFYJH-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1O ZINC000826282356 609315426 /nfs/dbraw/zinc/31/54/26/609315426.db2.gz KCSVZDQAUHREBL-UHFFFAOYSA-N -1 1 379.355 2.458 20 0 GEADMM O=S(=O)([N-]Cc1ccc(-c2nn[nH]n2)cc1)c1c(Cl)ccnc1Cl ZINC000826492091 609316894 /nfs/dbraw/zinc/31/68/94/609316894.db2.gz RZHKUMOBYZMMMO-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432045 609320887 /nfs/dbraw/zinc/32/08/87/609320887.db2.gz QJITVHYSOWGXLL-LLVKDONJSA-N -1 1 387.806 2.063 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826432045 609320889 /nfs/dbraw/zinc/32/08/89/609320889.db2.gz QJITVHYSOWGXLL-LLVKDONJSA-N -1 1 387.806 2.063 20 0 GEADMM Cc1cnc([C@@H](C)NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826317391 609361513 /nfs/dbraw/zinc/36/15/13/609361513.db2.gz AUYXOJGKOLINHR-SNVBAGLBSA-N -1 1 397.374 2.371 20 0 GEADMM FC(F)(F)c1ccccc1[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000826369139 609388489 /nfs/dbraw/zinc/38/84/89/609388489.db2.gz OOOXEOOOBWAVKS-LBPRGKRZSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1ccccc1[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000826369139 609388491 /nfs/dbraw/zinc/38/84/91/609388491.db2.gz OOOXEOOOBWAVKS-LBPRGKRZSA-N -1 1 377.330 2.253 20 0 GEADMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)ccc1F ZINC000826461829 609526923 /nfs/dbraw/zinc/52/69/23/609526923.db2.gz HQFMUINPKWASPP-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM Cc1c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cccc1C(=O)[O-] ZINC000826242956 609528320 /nfs/dbraw/zinc/52/83/20/609528320.db2.gz NLKIPCLYBZINLA-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c(C(=O)[O-])c1 ZINC000826291429 609529056 /nfs/dbraw/zinc/52/90/56/609529056.db2.gz FOLURMMKGXADSI-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM COc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C(C)=O ZINC000826211504 609583113 /nfs/dbraw/zinc/58/31/13/609583113.db2.gz HRWOWZLHLLRPEA-UHFFFAOYSA-N -1 1 388.405 2.154 20 0 GEADMM NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450917282 650075538 /nfs/dbraw/zinc/07/55/38/650075538.db2.gz CXPUCCGKCVDMDL-GFCCVEGCSA-N -1 1 399.220 2.083 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1C ZINC000451114884 650088123 /nfs/dbraw/zinc/08/81/23/650088123.db2.gz MSQDHRJWAZPDHI-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM CS(=O)(=O)C1CCC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000451238092 650097050 /nfs/dbraw/zinc/09/70/50/650097050.db2.gz CTHAWBXPXWXONL-UHFFFAOYSA-N -1 1 375.443 2.206 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000451303504 650102282 /nfs/dbraw/zinc/10/22/82/650102282.db2.gz GMAMUPKZCNHWAL-STQMWFEESA-N -1 1 390.502 2.398 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](C)SC)c(F)c1 ZINC000451349660 650105992 /nfs/dbraw/zinc/10/59/92/650105992.db2.gz ROASROWTOQEHPG-JTQLQIEISA-N -1 1 384.520 2.007 20 0 GEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451368867 650108172 /nfs/dbraw/zinc/10/81/72/650108172.db2.gz QOHJGSKJXCNECK-QWHCGFSZSA-N -1 1 385.473 2.478 20 0 GEADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2sccc2Cl)(C(=O)OC)C1(C)C ZINC000451441133 650114330 /nfs/dbraw/zinc/11/43/30/650114330.db2.gz YZCKAGAUAFCUCX-QMTHXVAHSA-N -1 1 381.903 2.427 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](SC)C2)c(F)c1 ZINC000451736093 650137292 /nfs/dbraw/zinc/13/72/92/650137292.db2.gz NNRBPOZGWZNSMI-GFCCVEGCSA-N -1 1 396.531 2.103 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccnc(C(F)(F)F)c2)o1 ZINC000451743419 650138567 /nfs/dbraw/zinc/13/85/67/650138567.db2.gz CTAWOHRISFHHMV-UHFFFAOYSA-N -1 1 378.328 2.349 20 0 GEADMM COC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(Cl)cc1 ZINC000451812537 650144466 /nfs/dbraw/zinc/14/44/66/650144466.db2.gz RAZPLFCZVJTYOE-GFCCVEGCSA-N -1 1 387.841 2.428 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]2C(C)C)c(OC)c1 ZINC000451921656 650153950 /nfs/dbraw/zinc/15/39/50/650153950.db2.gz JFYPAPFCWJGCFK-CQSZACIVSA-N -1 1 390.527 2.266 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000451957384 650157651 /nfs/dbraw/zinc/15/76/51/650157651.db2.gz ASZFPALSQBGNAR-JTQLQIEISA-N -1 1 375.324 2.449 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000451945421 650156094 /nfs/dbraw/zinc/15/60/94/650156094.db2.gz TWKUJXLNNIUKQP-UHFFFAOYSA-N -1 1 382.265 2.135 20 0 GEADMM CC[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H](O)C(F)F ZINC000452481806 650187555 /nfs/dbraw/zinc/18/75/55/650187555.db2.gz OSWVXKHJKZPIBZ-WCBMZHEXSA-N -1 1 385.148 2.131 20 0 GEADMM CCOc1cc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc(Cl)c1[O-] ZINC000456197496 650333394 /nfs/dbraw/zinc/33/33/94/650333394.db2.gz RWGVZCLIYKXLCO-LBPRGKRZSA-N -1 1 375.874 2.484 20 0 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CCC(Nc1cccc(Cl)c1F)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000054502455 642753985 /nfs/dbraw/zinc/75/39/85/642753985.db2.gz SVUJFLDASVROON-BENRWUELSA-N -1 1 385.848 2.445 20 0 GEADMM NC(=O)c1n[nH]c2ccc(NC(=O)c3cccc(Br)c3[O-])cc21 ZINC000534850335 650781562 /nfs/dbraw/zinc/78/15/62/650781562.db2.gz YTBKQBCGOPTGLR-UHFFFAOYSA-N -1 1 375.182 2.382 20 0 GEADMM COC(=O)[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccs1 ZINC000491552434 650786996 /nfs/dbraw/zinc/78/69/96/650786996.db2.gz KZWOMODQMIMIKZ-ZDUSSCGKSA-N -1 1 381.479 2.237 20 0 GEADMM COC(=O)[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccs1 ZINC000491552433 650787064 /nfs/dbraw/zinc/78/70/64/650787064.db2.gz KZWOMODQMIMIKZ-CYBMUJFWSA-N -1 1 381.479 2.237 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000055632986 642776232 /nfs/dbraw/zinc/77/62/32/642776232.db2.gz CUIPKFPKJPNGLC-UHFFFAOYSA-N -1 1 390.870 2.187 20 0 GEADMM CNC(=O)COc1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000055782408 642782944 /nfs/dbraw/zinc/78/29/44/642782944.db2.gz 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ZINC000066625950 642928450 /nfs/dbraw/zinc/92/84/50/642928450.db2.gz IOEWGFGJUFGNRL-UHFFFAOYSA-N -1 1 378.458 2.454 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)o1 ZINC000066677651 642933274 /nfs/dbraw/zinc/93/32/74/642933274.db2.gz QYGCMDLQENDXFP-UHFFFAOYSA-N -1 1 380.813 2.279 20 0 GEADMM CCS(=O)(=O)c1ccccc1C(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067073472 642963104 /nfs/dbraw/zinc/96/31/04/642963104.db2.gz VBLLZMWJCBXFOV-UHFFFAOYSA-N -1 1 382.511 2.288 20 0 GEADMM CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094075481 643086356 /nfs/dbraw/zinc/08/63/56/643086356.db2.gz ZOQMYXAHQQLLDS-GFCCVEGCSA-N -1 1 387.299 2.442 20 0 GEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000537361115 650814413 /nfs/dbraw/zinc/81/44/13/650814413.db2.gz QAQCGASYQZTXDF-GFCCVEGCSA-N -1 1 379.425 2.380 20 0 GEADMM O=C(CNC(=O)c1cc(Br)ccc1[O-])N1CCc2ccccc21 ZINC000101844488 643116964 /nfs/dbraw/zinc/11/69/64/643116964.db2.gz YIJNQUUNQPDXQW-UHFFFAOYSA-N -1 1 375.222 2.474 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(Br)s1 ZINC000103941702 643174451 /nfs/dbraw/zinc/17/44/51/643174451.db2.gz YKTHDMVHIHOORC-UHFFFAOYSA-N -1 1 395.282 2.322 20 0 GEADMM COC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000108286370 643269884 /nfs/dbraw/zinc/26/98/84/643269884.db2.gz BMSXUOKPSONGPJ-UHFFFAOYSA-N -1 1 386.451 2.457 20 0 GEADMM O=C(NCCOc1cccnc1)c1cc(I)ccc1[O-] ZINC000114544467 643421017 /nfs/dbraw/zinc/42/10/17/643421017.db2.gz PRDNDRYYXZIXDM-UHFFFAOYSA-N -1 1 384.173 2.201 20 0 GEADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000538951772 650839778 /nfs/dbraw/zinc/83/97/78/650839778.db2.gz KCJNJKXXBOMAGW-JTQLQIEISA-N -1 1 384.841 2.407 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c(F)c1 ZINC000116354601 643459574 /nfs/dbraw/zinc/45/95/74/643459574.db2.gz NMWZBYOSODYHTD-CYBMUJFWSA-N -1 1 388.442 2.316 20 0 GEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@@H]1C ZINC000116785878 643468935 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O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)ccc1[O-] ZINC000125070796 643699880 /nfs/dbraw/zinc/69/98/80/643699880.db2.gz SBFHATSGZZDHOM-GFCCVEGCSA-N -1 1 377.242 2.344 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2c(C)ccn(C)c2=O)cc1Cl ZINC000126385894 643730653 /nfs/dbraw/zinc/73/06/53/643730653.db2.gz HVYMURBAVTXXOS-UHFFFAOYSA-N -1 1 387.820 2.245 20 0 GEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)cc1 ZINC000540294162 650862622 /nfs/dbraw/zinc/86/26/22/650862622.db2.gz GFHCUXNKQGTSIS-UHFFFAOYSA-N -1 1 383.491 2.487 20 0 GEADMM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1c(F)ccc([O-])c1F ZINC000540543248 650863595 /nfs/dbraw/zinc/86/35/95/650863595.db2.gz CMEWUHXNHRDXMI-UHFFFAOYSA-N -1 1 390.795 2.032 20 0 GEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc(F)c(Br)c1 ZINC000129855392 643827308 /nfs/dbraw/zinc/82/73/08/643827308.db2.gz UTLZHHJKYAJPRM-UHFFFAOYSA-N -1 1 395.188 2.027 20 0 GEADMM O=C(NCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccs1 ZINC000131125080 643864638 /nfs/dbraw/zinc/86/46/38/643864638.db2.gz 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ZINC000156192282 644086134 /nfs/dbraw/zinc/08/61/34/644086134.db2.gz ZWOMMJOZUVPRJU-VIFPVBQESA-N -1 1 378.244 2.463 20 0 GEADMM C[C@@H](CN(C)C(=O)CCCOc1ccccc1Br)c1nn[n-]n1 ZINC000156558690 644103429 /nfs/dbraw/zinc/10/34/29/644103429.db2.gz SKVXSDIZXCNDEK-NSHDSACASA-N -1 1 382.262 2.383 20 0 GEADMM COC(=O)N[N-]C(=O)c1cccc(Br)c1I ZINC000158676047 644155061 /nfs/dbraw/zinc/15/50/61/644155061.db2.gz DLJDSEDJYZKYJS-UHFFFAOYSA-N -1 1 398.982 2.055 20 0 GEADMM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000171066052 644305352 /nfs/dbraw/zinc/30/53/52/644305352.db2.gz QASZJZFVVYSCLS-UHFFFAOYSA-N -1 1 388.276 2.325 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Nc1cccc(F)c1 ZINC000171096399 644307659 /nfs/dbraw/zinc/30/76/59/644307659.db2.gz XMCZFZGFJZUCNH-UHFFFAOYSA-N -1 1 378.212 2.445 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cccc(Br)c2C)n1 ZINC000176719326 644403694 /nfs/dbraw/zinc/40/36/94/644403694.db2.gz VGAHEADFROBSOX-UHFFFAOYSA-N -1 1 387.259 2.170 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000176720367 644404900 /nfs/dbraw/zinc/40/49/00/644404900.db2.gz UGJHDVVITJLOFM-UHFFFAOYSA-N -1 1 380.323 2.257 20 0 GEADMM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000179439275 644459115 /nfs/dbraw/zinc/45/91/15/644459115.db2.gz KWZNQRSEAXXLQD-QMMMGPOBSA-N -1 1 399.694 2.365 20 0 GEADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1F ZINC000179845543 644476847 /nfs/dbraw/zinc/47/68/47/644476847.db2.gz WFPXVNIWTYUTPB-UHFFFAOYSA-N -1 1 382.438 2.202 20 0 GEADMM Cn1c2ccc(S(=O)(=O)[N-]c3nc(Cl)ccc3Cl)cc2n(C)c1=O ZINC000180276049 644498141 /nfs/dbraw/zinc/49/81/41/644498141.db2.gz JAYJWPGLTZYWFU-UHFFFAOYSA-N -1 1 387.248 2.380 20 0 GEADMM Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cnc1Br ZINC000180494818 644504942 /nfs/dbraw/zinc/50/49/42/644504942.db2.gz CMPCXKKAWRXCQR-UHFFFAOYSA-N -1 1 390.197 2.050 20 0 GEADMM CN(C)S(=O)(=O)c1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000180775461 644514261 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GEADMM Cc1noc(C2([N-]S(=O)(=O)Cc3ccc(F)cc3Br)CC2)n1 ZINC000907865912 654585249 /nfs/dbraw/zinc/58/52/49/654585249.db2.gz VSKHVTHCLDJRLF-UHFFFAOYSA-N -1 1 390.234 2.388 20 0 GEADMM CC(=Cc1c(Cl)cccc1Cl)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907943690 654591807 /nfs/dbraw/zinc/59/18/07/654591807.db2.gz LQHRWHSRVSWEPF-MDZDMXLPSA-N -1 1 382.251 2.420 20 0 GEADMM Cn1nc(C[N-]S(=O)(=O)c2occc2Br)cc1C(F)(F)F ZINC000908063935 654601351 /nfs/dbraw/zinc/60/13/51/654601351.db2.gz RUGZEDCKNOSTMF-UHFFFAOYSA-N -1 1 388.165 2.273 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCn1nc(C(F)(F)F)cc1C ZINC000927468675 654601859 /nfs/dbraw/zinc/60/18/59/654601859.db2.gz CARPAPPGCJWRMQ-UHFFFAOYSA-N -1 1 375.376 2.166 20 0 GEADMM O=c1[nH]ncc(N2CC[C@@H]([N-]S(=O)(=O)c3sccc3Cl)C2)c1Cl ZINC000908405558 654626552 /nfs/dbraw/zinc/62/65/52/654626552.db2.gz ZQCXUMDMASIKMV-SSDOTTSWSA-N -1 1 395.293 2.108 20 0 GEADMM COc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000908738136 654639315 /nfs/dbraw/zinc/63/93/15/654639315.db2.gz IKQAUJPKOCLDEG-WCQYABFASA-N -1 1 399.285 2.432 20 0 GEADMM CN1CCC[C@H](NC(=O)N2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])C1 ZINC000908872226 654642934 /nfs/dbraw/zinc/64/29/34/654642934.db2.gz XIWUOTVKUNXWBX-WFASDCNBSA-N -1 1 396.285 2.064 20 0 GEADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000908873158 654642945 /nfs/dbraw/zinc/64/29/45/654642945.db2.gz WRJINGHNKSPETN-WFASDCNBSA-N -1 1 399.285 2.049 20 0 GEADMM COc1cc(Br)cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000910179342 654690469 /nfs/dbraw/zinc/69/04/69/654690469.db2.gz LBISJXQGRQQFCI-NSHDSACASA-N -1 1 385.258 2.079 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000910252486 654694299 /nfs/dbraw/zinc/69/42/99/654694299.db2.gz CQIAXPGQKXSDLG-BXUZGUMPSA-N -1 1 397.269 2.186 20 0 GEADMM COC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC000910349780 654696988 /nfs/dbraw/zinc/69/69/88/654696988.db2.gz GHFWAUTZGQOVMT-ZFWWWQNUSA-N -1 1 399.285 2.049 20 0 GEADMM CC(C)(CN1CCOCC1)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000910704232 654706980 /nfs/dbraw/zinc/70/69/80/654706980.db2.gz PGFRZMICMKBUMN-UHFFFAOYSA-N -1 1 385.258 2.444 20 0 GEADMM C[C@H](CN1CCOCC1)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910710748 654707640 /nfs/dbraw/zinc/70/76/40/654707640.db2.gz SJRMYIDBBHDOEK-IUODEOHRSA-N -1 1 399.285 2.002 20 0 GEADMM CN(C)Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000911491629 654724720 /nfs/dbraw/zinc/72/47/20/654724720.db2.gz ODTLJZYIAQQSAV-ZDUSSCGKSA-N -1 1 398.301 2.246 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000911562903 654726330 /nfs/dbraw/zinc/72/63/30/654726330.db2.gz VKIMFRDVDAOCHD-IUODEOHRSA-N -1 1 389.279 2.330 20 0 GEADMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911580082 654726905 /nfs/dbraw/zinc/72/69/05/654726905.db2.gz QNDPJMMOFYKSNN-LLVKDONJSA-N -1 1 399.285 2.065 20 0 GEADMM CSCC[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1nn[n-]n1 ZINC000912860127 654771532 /nfs/dbraw/zinc/77/15/32/654771532.db2.gz HWNVSHBNBXOPSO-NSHDSACASA-N -1 1 375.376 2.208 20 0 GEADMM O=C(c1cccc(I)c1[O-])N1CCC[C@H]1c1nnc[nH]1 ZINC000912966231 654776795 /nfs/dbraw/zinc/77/67/95/654776795.db2.gz SDQBBCOIGKFNIH-JTQLQIEISA-N -1 1 384.177 2.092 20 0 GEADMM Cc1cc(C)c(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)c(C)c1Br ZINC000913493668 654795607 /nfs/dbraw/zinc/79/56/07/654795607.db2.gz FSYBBMNAMOLPRQ-ZDUSSCGKSA-N -1 1 394.273 2.030 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(I)cc2[O-])Cc2c[nH]nc21 ZINC000913599783 654801016 /nfs/dbraw/zinc/80/10/16/654801016.db2.gz HHGOJMHYTCCSCQ-MRVPVSSYSA-N -1 1 383.189 2.479 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(I)cc2[O-])Cc2c[nH]nc21 ZINC000913599784 654801043 /nfs/dbraw/zinc/80/10/43/654801043.db2.gz HHGOJMHYTCCSCQ-QMMMGPOBSA-N -1 1 383.189 2.479 20 0 GEADMM Cn1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000913744165 654807187 /nfs/dbraw/zinc/80/71/87/654807187.db2.gz CKTGFNDFBVSMMW-UHFFFAOYSA-N -1 1 377.861 2.335 20 0 GEADMM COc1cc(Br)ccc1CCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744260 654807284 /nfs/dbraw/zinc/80/72/84/654807284.db2.gz HDQQXIOOALWTRA-UHFFFAOYSA-N -1 1 394.273 2.310 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCCO2)c1F ZINC000913884391 654813340 /nfs/dbraw/zinc/81/33/40/654813340.db2.gz RPTRQTSVDYTLQG-SECBINFHSA-N -1 1 382.251 2.444 20 0 GEADMM O=S(=O)(Cc1ccc(F)cc1Br)[N-]Cc1nc(C2CC2)no1 ZINC000913947048 654817893 /nfs/dbraw/zinc/81/78/93/654817893.db2.gz PMHRCNKPFRKCPM-UHFFFAOYSA-N -1 1 390.234 2.468 20 0 GEADMM Cc1c(NC(=O)NN2CC(=O)[N-]C2=O)cc(Br)cc1C(F)(F)F ZINC000933660156 654819486 /nfs/dbraw/zinc/81/94/86/654819486.db2.gz JBJMJZFAGTZGKM-UHFFFAOYSA-N -1 1 395.135 2.365 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCN(C3CC3)C2)c1F ZINC000913969577 654819527 /nfs/dbraw/zinc/81/95/27/654819527.db2.gz WWXNRSKTSQETKA-VIFPVBQESA-N -1 1 393.278 2.112 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2nc(C)no2)c1F ZINC000914030007 654822354 /nfs/dbraw/zinc/82/23/54/654822354.db2.gz KXEZYTHVNAPTJG-LURJTMIESA-N -1 1 394.222 2.328 20 0 GEADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000914057323 654823887 /nfs/dbraw/zinc/82/38/87/654823887.db2.gz LCNGINADSIPIPA-UHFFFAOYSA-N -1 1 391.291 2.213 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c1F ZINC000914140885 654829246 /nfs/dbraw/zinc/82/92/46/654829246.db2.gz RVNPLYNPGKYEHO-NXEZZACHSA-N -1 1 382.251 2.179 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC[C@H](C)CO)c1F ZINC000914301133 654843252 /nfs/dbraw/zinc/84/32/52/654843252.db2.gz PUKSNKTUXXAJRQ-VIFPVBQESA-N -1 1 384.267 2.284 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)C(C)(C)O)c1F ZINC000914318451 654844875 /nfs/dbraw/zinc/84/48/75/654844875.db2.gz SFJUPJUDUHWUCE-UHFFFAOYSA-N -1 1 384.267 2.425 20 0 GEADMM CN1CC=C(C[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000914333243 654846199 /nfs/dbraw/zinc/84/61/99/654846199.db2.gz UMMLWHDIIOTOCA-DEOSSOPVSA-N -1 1 397.444 2.130 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000914425354 654853509 /nfs/dbraw/zinc/85/35/09/654853509.db2.gz VITYIHLJKLAZGP-JQLIAFOBSA-N -1 1 386.417 2.029 20 0 GEADMM CC[C@]1([N-]S(=O)(=O)c2c(Br)ccc(OC)c2F)CCOC1 ZINC000914428584 654853797 /nfs/dbraw/zinc/85/37/97/654853797.db2.gz TWHCKOUCKWDRFW-ZDUSSCGKSA-N -1 1 382.251 2.444 20 0 GEADMM Cc1csc(C)c1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000915194418 654865273 /nfs/dbraw/zinc/86/52/73/654865273.db2.gz IMXIMBMTOYBHJI-UHFFFAOYSA-N -1 1 384.445 2.444 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nc(-c3cccs3)no2)o1 ZINC000915417177 654870523 /nfs/dbraw/zinc/87/05/23/654870523.db2.gz XWWOKLAZIMBRPS-QMMMGPOBSA-N -1 1 383.407 2.217 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000915877016 654881444 /nfs/dbraw/zinc/88/14/44/654881444.db2.gz JSAMUBMUWXDXMO-WOPDTQHZSA-N -1 1 388.511 2.360 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1CCn2ccnc21 ZINC000915991857 654884038 /nfs/dbraw/zinc/88/40/38/654884038.db2.gz IBQPRFRVBAZOKO-YDGUKXNOSA-N -1 1 394.400 2.209 20 0 GEADMM C[C@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccc(I)cc1 ZINC000935591682 654902956 /nfs/dbraw/zinc/90/29/56/654902956.db2.gz CVXQQBUSAPJTHU-QWRGUYRKSA-N -1 1 375.206 2.479 20 0 GEADMM O=C(c1ccc2c(Br)cnn2c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000935830042 654920037 /nfs/dbraw/zinc/92/00/37/654920037.db2.gz RTFPAHHPFFGVMZ-UHFFFAOYSA-N -1 1 392.213 2.205 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)c1C ZINC000151416308 531500126 /nfs/dbraw/zinc/50/01/26/531500126.db2.gz UGIFIFWMROLDKS-UHFFFAOYSA-N -1 1 376.360 2.119 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1S(N)(=O)=O ZINC000008111166 531545353 /nfs/dbraw/zinc/54/53/53/531545353.db2.gz NVZOLAUIBJEXIR-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000152176497 531534573 /nfs/dbraw/zinc/53/45/73/531534573.db2.gz DCVBPULQATVRIO-RDDDGLTNSA-N -1 1 397.241 2.050 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)N(C)C ZINC000007057055 531535909 /nfs/dbraw/zinc/53/59/09/531535909.db2.gz PWPMWVXUZHHCLX-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1I ZINC000014254666 531562784 /nfs/dbraw/zinc/56/27/84/531562784.db2.gz QZWPPHHLWQCCTJ-UHFFFAOYSA-N -1 1 377.207 2.134 20 0 GEADMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000014728519 531565847 /nfs/dbraw/zinc/56/58/47/531565847.db2.gz OLADNYLUGSWMGG-UHFFFAOYSA-N -1 1 394.254 2.440 20 0 GEADMM CCC[C@@H](NC(=O)Cc1ccccc1I)c1nn[n-]n1 ZINC000153926051 531612238 /nfs/dbraw/zinc/61/22/38/531612238.db2.gz WWHKKQHOWLZKEJ-LLVKDONJSA-N -1 1 385.209 2.004 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000153919238 531613079 /nfs/dbraw/zinc/61/30/79/531613079.db2.gz TUNZIFJWZKCIEL-ZDUSSCGKSA-N -1 1 384.841 2.277 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Br)o1 ZINC000154410254 531624505 /nfs/dbraw/zinc/62/45/05/531624505.db2.gz WIBFMLMWBWVPKV-UHFFFAOYSA-N -1 1 378.244 2.296 20 0 GEADMM COCC[N@H+](C)CCNS(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000155522204 531686784 /nfs/dbraw/zinc/68/67/84/531686784.db2.gz MGQFGACXVHJLQD-UHFFFAOYSA-N -1 1 375.541 2.037 20 0 GEADMM O=C(NC1CCN(c2ncccn2)CC1)c1cc(Br)ccc1[O-] ZINC000047118812 531711689 /nfs/dbraw/zinc/71/16/89/531711689.db2.gz OFJVXPGJCSTAKN-UHFFFAOYSA-N -1 1 377.242 2.344 20 0 GEADMM O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc(Br)ccc1[O-] ZINC000046424042 531702988 /nfs/dbraw/zinc/70/29/88/531702988.db2.gz RXYKJYATHKDXRU-LBPRGKRZSA-N -1 1 377.242 2.344 20 0 GEADMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc(N3CCCC3)s2)cc1 ZINC000052912012 531753272 /nfs/dbraw/zinc/75/32/72/531753272.db2.gz SXFPKKPMRIFQTO-UHFFFAOYSA-N -1 1 378.479 2.196 20 0 GEADMM O=S(=O)([N-]CCCN1CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000157989556 531760445 /nfs/dbraw/zinc/76/04/45/531760445.db2.gz UVPNMYWFVMCPKQ-UHFFFAOYSA-N -1 1 386.823 2.359 20 0 GEADMM Cn1cnc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000158241678 531771887 /nfs/dbraw/zinc/77/18/87/531771887.db2.gz NOSRDEFOIDLRFU-UHFFFAOYSA-N -1 1 383.857 2.063 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCS2(=O)=O)cc1 ZINC000055579605 531794177 /nfs/dbraw/zinc/79/41/77/531794177.db2.gz HXLPBRBFDIHVOS-UHFFFAOYSA-N -1 1 384.454 2.475 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)s1 ZINC000057504524 531820646 /nfs/dbraw/zinc/82/06/46/531820646.db2.gz JRHZLLZGNIKFPZ-MRXNPFEDSA-N -1 1 379.463 2.220 20 0 GEADMM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000060707204 531846455 /nfs/dbraw/zinc/84/64/55/531846455.db2.gz WDVACIMYPUGNOH-UHFFFAOYSA-N -1 1 384.772 2.473 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c1 ZINC000064475657 531864768 /nfs/dbraw/zinc/86/47/68/531864768.db2.gz HXECASDVQJSPPH-UHFFFAOYSA-N -1 1 379.463 2.185 20 0 GEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000067997337 531892127 /nfs/dbraw/zinc/89/21/27/531892127.db2.gz CBQDRPUUTTYOQQ-HNNXBMFYSA-N -1 1 381.523 2.461 20 0 GEADMM 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XWPDHWPZBZMNRM-ZDUSSCGKSA-N -1 1 380.491 2.442 20 0 GEADMM O=C(NCCc1nc[nH]n1)c1cc(Br)c([O-])c(Br)c1 ZINC000120938226 532003640 /nfs/dbraw/zinc/00/36/40/532003640.db2.gz USDMREDIGCLGIA-UHFFFAOYSA-N -1 1 390.035 2.008 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)co1 ZINC000121488385 532032559 /nfs/dbraw/zinc/03/25/59/532032559.db2.gz QWEBWDOWNIMIPJ-UHFFFAOYSA-N -1 1 386.857 2.382 20 0 GEADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000174741261 532075310 /nfs/dbraw/zinc/07/53/10/532075310.db2.gz WNSQTDRHCPRMHY-XMMPIXPASA-N -1 1 378.475 2.500 20 0 GEADMM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(I)ccc1[O-] ZINC000175772347 532114328 /nfs/dbraw/zinc/11/43/28/532114328.db2.gz PXIQALARWDVWRK-MWLCHTKSSA-N -1 1 375.206 2.278 20 0 GEADMM Cc1sc2ncnc(SCC(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2c1C ZINC000124178637 532116038 /nfs/dbraw/zinc/11/60/38/532116038.db2.gz UEBPHZUOLGRXQR-MRVPVSSYSA-N -1 1 377.499 2.175 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)co1 ZINC000125262319 532133771 /nfs/dbraw/zinc/13/37/71/532133771.db2.gz BKWSCSANJGSMAK-UHFFFAOYSA-N -1 1 380.813 2.279 20 0 GEADMM Cn1cc(Br)cc([N-]S(=O)(=O)c2ccc(F)cc2F)c1=O ZINC000176543694 532141071 /nfs/dbraw/zinc/14/10/71/532141071.db2.gz UOJRLDKSHGMGTK-UHFFFAOYSA-N -1 1 379.182 2.227 20 0 GEADMM CCCN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000127932669 532159220 /nfs/dbraw/zinc/15/92/20/532159220.db2.gz CNQWSDFDFBTNRO-NSHDSACASA-N -1 1 376.272 2.194 20 0 GEADMM O=C(c1cc(F)ccc1[O-])N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000177028755 532159909 /nfs/dbraw/zinc/15/99/09/532159909.db2.gz XRRMKYMCEUPQQT-UHFFFAOYSA-N -1 1 384.454 2.176 20 0 GEADMM O=C(c1cc2ccc(Br)cc2[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129432481 532178649 /nfs/dbraw/zinc/17/86/49/532178649.db2.gz AMWRHCXWFRRCDS-SNVBAGLBSA-N -1 1 375.230 2.463 20 0 GEADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccn1 ZINC000132284516 532212861 /nfs/dbraw/zinc/21/28/61/532212861.db2.gz VTMDHDWJPYGNNQ-UHFFFAOYSA-N -1 1 384.255 2.347 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nnnn1-c1ccccc1 ZINC000132441759 532215938 /nfs/dbraw/zinc/21/59/38/532215938.db2.gz APPPLQFKIAQYTP-SNVBAGLBSA-N -1 1 381.820 2.494 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000178961784 532218350 /nfs/dbraw/zinc/21/83/50/532218350.db2.gz PLISEMDTKNFVMH-UHFFFAOYSA-N -1 1 386.470 2.439 20 0 GEADMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000133137683 532227816 /nfs/dbraw/zinc/22/78/16/532227816.db2.gz AWBJLHOHWDYJAI-MRVPVSSYSA-N -1 1 397.241 2.017 20 0 GEADMM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000179303355 532228708 /nfs/dbraw/zinc/22/87/08/532228708.db2.gz FXEJIEFKMZNRFK-ZCFIWIBFSA-N -1 1 380.702 2.358 20 0 GEADMM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000133306804 532231426 /nfs/dbraw/zinc/23/14/26/532231426.db2.gz YBEVSMWEAXPLFC-NSHDSACASA-N -1 1 376.400 2.173 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(Br)cc32)co1 ZINC000133908387 532245378 /nfs/dbraw/zinc/24/53/78/532245378.db2.gz LXFQXFNHZIBTTF-UHFFFAOYSA-N -1 1 385.239 2.153 20 0 GEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncn(C)c3=O)cc2)cc1 ZINC000179878265 532247660 /nfs/dbraw/zinc/24/76/60/532247660.db2.gz DVLZVYGDDQCAOQ-UHFFFAOYSA-N -1 1 376.463 2.094 20 0 GEADMM Cc1nc2nc(S(=O)(=O)Cc3ccc(CO)cc3)[n-]c2cc1Br ZINC000179898044 532250161 /nfs/dbraw/zinc/25/01/61/532250161.db2.gz XEQXAKDKZOQTBD-UHFFFAOYSA-N -1 1 396.266 2.495 20 0 GEADMM Cc1[n-]c2nc(S(=O)(=O)Cc3ccc(CO)cc3)nc-2cc1Br ZINC000179898044 532250167 /nfs/dbraw/zinc/25/01/67/532250167.db2.gz XEQXAKDKZOQTBD-UHFFFAOYSA-N -1 1 396.266 2.495 20 0 GEADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1F ZINC000135340148 532270752 /nfs/dbraw/zinc/27/07/52/532270752.db2.gz YIEPFKKCOHCZBK-UHFFFAOYSA-N -1 1 383.426 2.479 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)NCC1CCCC1 ZINC000135667032 532277989 /nfs/dbraw/zinc/27/79/89/532277989.db2.gz OUTPUEHMFLGZAI-UHFFFAOYSA-N -1 1 378.416 2.467 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)co1 ZINC000180769530 532280307 /nfs/dbraw/zinc/28/03/07/532280307.db2.gz QONVAVOVNXIMKB-UHFFFAOYSA-N -1 1 378.328 2.223 20 0 GEADMM CCC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000136699706 532286612 /nfs/dbraw/zinc/28/66/12/532286612.db2.gz XMAGIGZMJWXMMW-KCJUWKMLSA-N -1 1 385.255 2.282 20 0 GEADMM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000181398786 532297710 /nfs/dbraw/zinc/29/77/10/532297710.db2.gz JLQJMXJEPSZGFN-LDWIPMOCSA-N -1 1 390.271 2.118 20 0 GEADMM CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151147621 532306917 /nfs/dbraw/zinc/30/69/17/532306917.db2.gz VMRPBUXBJUDDDK-UHFFFAOYSA-N -1 1 379.809 2.072 20 0 GEADMM CS(=O)(=O)NCc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)o1 ZINC000182121172 532309796 /nfs/dbraw/zinc/30/97/96/532309796.db2.gz AEQVOWDIAGJSQI-UHFFFAOYSA-N -1 1 384.464 2.161 20 0 GEADMM Cc1[n-]c(S(=O)(=O)[C@H](C)C(=O)NCC(F)(F)F)nc1-c1ccccc1 ZINC000186848202 532342168 /nfs/dbraw/zinc/34/21/68/532342168.db2.gz AJSUUPYCVIAWDM-SNVBAGLBSA-N -1 1 375.372 2.226 20 0 GEADMM COC(=O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000186919628 532342602 /nfs/dbraw/zinc/34/26/02/532342602.db2.gz SFCAWQQGMVXBEJ-UHFFFAOYSA-N -1 1 377.043 2.207 20 0 GEADMM CCNC(=O)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000184858761 532335172 /nfs/dbraw/zinc/33/51/72/532335172.db2.gz CDCVLEBSZFOUSS-UHFFFAOYSA-N -1 1 390.086 2.170 20 0 GEADMM Cc1nccc(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)n1 ZINC000184950495 532336212 /nfs/dbraw/zinc/33/62/12/532336212.db2.gz RWNOZXBPGCLROW-UHFFFAOYSA-N -1 1 377.242 2.216 20 0 GEADMM CC[C@](NC(=O)c1cc(I)ccc1[O-])(C(N)=O)C(C)C ZINC000190118085 532354996 /nfs/dbraw/zinc/35/49/96/532354996.db2.gz IIFCINIMXNYZDC-CQSZACIVSA-N -1 1 390.221 2.017 20 0 GEADMM O=S(=O)([N-][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Br)cnc1Cl ZINC000190652318 532357232 /nfs/dbraw/zinc/35/72/32/532357232.db2.gz RIGMLZUMOBNJOR-OPRDCNLKSA-N -1 1 381.679 2.343 20 0 GEADMM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CC2 ZINC000191926048 532375561 /nfs/dbraw/zinc/37/55/61/532375561.db2.gz VFNSZBAHSNEDHU-QMMMGPOBSA-N -1 1 379.244 2.326 20 0 GEADMM C[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000590606502 532377907 /nfs/dbraw/zinc/37/79/07/532377907.db2.gz QRSQIAQJVGZION-SNVBAGLBSA-N -1 1 392.499 2.168 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@@H]2CCCOC2)c2ccc(Cl)c(F)c2)no1 ZINC000371982930 532364436 /nfs/dbraw/zinc/36/44/36/532364436.db2.gz DLNHGPSMOUTJAB-BXUZGUMPSA-N -1 1 389.836 2.358 20 0 GEADMM Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)[N-]CC(F)(F)F)C3)[nH]c2c1 ZINC000192027862 532378463 /nfs/dbraw/zinc/37/84/63/532378463.db2.gz WKNHSJCYPBFXGK-NSHDSACASA-N -1 1 376.404 2.447 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)o1 ZINC000425188086 532370701 /nfs/dbraw/zinc/37/07/01/532370701.db2.gz AIVGEQIOLJNJDA-UHFFFAOYSA-N -1 1 379.381 2.129 20 0 GEADMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)nc1)c1c(F)cccc1Cl ZINC000463692416 532380274 /nfs/dbraw/zinc/38/02/74/532380274.db2.gz FJEPHSXZLQPRRP-UHFFFAOYSA-N -1 1 385.848 2.189 20 0 GEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000558117193 532385467 /nfs/dbraw/zinc/38/54/67/532385467.db2.gz TUOKDDJFLFNTAF-LBPRGKRZSA-N -1 1 375.841 2.078 20 0 GEADMM CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1Br)c1nn[n-]n1 ZINC000294907049 532388827 /nfs/dbraw/zinc/38/88/27/532388827.db2.gz JWJQVFLDEIAQAK-JTQLQIEISA-N -1 1 384.234 2.251 20 0 GEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)s1 ZINC000678358851 532395073 /nfs/dbraw/zinc/39/50/73/532395073.db2.gz MCGAUEOSQIPDGN-UHFFFAOYSA-N -1 1 396.372 2.330 20 0 GEADMM CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)OCCCO1 ZINC000192222722 532397240 /nfs/dbraw/zinc/39/72/40/532397240.db2.gz JTIKUANJVSXYKR-UHFFFAOYSA-N -1 1 386.214 2.159 20 0 GEADMM CN(CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccc(Cl)cn1 ZINC000678655970 532399092 /nfs/dbraw/zinc/39/90/92/532399092.db2.gz ZKCMTRKQZFRREH-UHFFFAOYSA-N -1 1 386.836 2.321 20 0 GEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(F)c(Cl)c2)no1 ZINC000624680085 532402586 /nfs/dbraw/zinc/40/25/86/532402586.db2.gz QIOCDZLDLANBMH-UHFFFAOYSA-N -1 1 391.852 2.297 20 0 GEADMM CC(=O)CN(CC(C)C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000517032366 532402733 /nfs/dbraw/zinc/40/27/33/532402733.db2.gz VROHVLKJXHYEQI-UHFFFAOYSA-N -1 1 395.308 2.345 20 0 GEADMM CCC[C@@H](NC(=O)c1c2ccc(Br)cc2nn1C)c1nn[n-]n1 ZINC000648815108 532403202 /nfs/dbraw/zinc/40/32/02/532403202.db2.gz FXGHRDYKPNSGKV-SNVBAGLBSA-N -1 1 378.234 2.120 20 0 GEADMM O=C([O-])CN(Cc1cccc(Br)c1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000517036004 532403397 /nfs/dbraw/zinc/40/33/97/532403397.db2.gz WRBMDIOSXTURHF-ZDUSSCGKSA-N -1 1 390.299 2.161 20 0 GEADMM C[C@@H](CO)N1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000372694329 532401846 /nfs/dbraw/zinc/40/18/46/532401846.db2.gz LBUCYDKLQHGKAP-JTQLQIEISA-N -1 1 391.693 2.337 20 0 GEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C2CC2)no1 ZINC000559406421 532402356 /nfs/dbraw/zinc/40/23/56/532402356.db2.gz HBCFFYCHGQORKQ-ZDUSSCGKSA-N -1 1 376.360 2.396 20 0 GEADMM COc1c(Br)ccc(F)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000648837883 532403981 /nfs/dbraw/zinc/40/39/81/532403981.db2.gz IWNGKJDQRITAJN-MRVPVSSYSA-N -1 1 384.209 2.130 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)[C@H]1CCCOC1 ZINC000560037463 532409103 /nfs/dbraw/zinc/40/91/03/532409103.db2.gz OGEWYHZHMWKKKT-HZMBPMFUSA-N -1 1 379.837 2.116 20 0 GEADMM COC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000280249843 532411947 /nfs/dbraw/zinc/41/19/47/532411947.db2.gz NDCZEQNNUDVUSN-LURJTMIESA-N -1 1 393.086 2.042 20 0 GEADMM C[C@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)n1cc(Br)cn1 ZINC000649218968 532417534 /nfs/dbraw/zinc/41/75/34/532417534.db2.gz AWIHRNOFNDNOEM-NXEZZACHSA-N -1 1 384.234 2.092 20 0 GEADMM Cc1ccc2c([O-])c(C(=O)N(C)CCn3cc(Br)cn3)cnc2n1 ZINC000517449239 532418939 /nfs/dbraw/zinc/41/89/39/532418939.db2.gz UYLFPMJMNRDADL-UHFFFAOYSA-N -1 1 390.241 2.375 20 0 GEADMM Cc1ccc2c(=O)c(C(=O)N(C)CCn3cc(Br)cn3)c[n-]c2n1 ZINC000517449239 532418945 /nfs/dbraw/zinc/41/89/45/532418945.db2.gz UYLFPMJMNRDADL-UHFFFAOYSA-N -1 1 390.241 2.375 20 0 GEADMM O=S(=O)([N-]CC1(OCCO)CCC(F)(F)CC1)c1cc(F)ccc1F ZINC000625409803 532424825 /nfs/dbraw/zinc/42/48/25/532424825.db2.gz OCIOJXAPPMLNIE-UHFFFAOYSA-N -1 1 385.379 2.200 20 0 GEADMM O=C([O-])[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1cc(F)ccc1F ZINC000681566211 532430710 /nfs/dbraw/zinc/43/07/10/532430710.db2.gz AUGKZRBBVSTRJL-GFCCVEGCSA-N -1 1 381.278 2.486 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCC23CC3)c(F)c1 ZINC000625671398 532431246 /nfs/dbraw/zinc/43/12/46/532431246.db2.gz ZIYHHDTVBRBJME-LLVKDONJSA-N -1 1 376.475 2.056 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000427797742 532431360 /nfs/dbraw/zinc/43/13/60/532431360.db2.gz MUYBWQSRSPHIAP-UHFFFAOYSA-N -1 1 396.184 2.296 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000427913678 532436927 /nfs/dbraw/zinc/43/69/27/532436927.db2.gz OQDRLGDUGUFFOI-UHFFFAOYSA-N -1 1 384.841 2.361 20 0 GEADMM O=C1c2ccccc2CCN1CC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000466722800 532432615 /nfs/dbraw/zinc/43/26/15/532432615.db2.gz NFXZSNAXZKHCTP-UHFFFAOYSA-N -1 1 399.266 2.019 20 0 GEADMM O=S(=O)([N-]c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000518646096 532445967 /nfs/dbraw/zinc/44/59/67/532445967.db2.gz KOBWZXLUNOHQNH-UHFFFAOYSA-N -1 1 380.227 2.226 20 0 GEADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000282235266 532449742 /nfs/dbraw/zinc/44/97/42/532449742.db2.gz SFPPYSSGNPXYRX-UHFFFAOYSA-N -1 1 384.479 2.136 20 0 GEADMM CCN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000467750625 532452798 /nfs/dbraw/zinc/45/27/98/532452798.db2.gz AKCNKIPLJFGMQO-UHFFFAOYSA-N -1 1 387.458 2.235 20 0 GEADMM Cn1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)n1 ZINC000194798769 532458367 /nfs/dbraw/zinc/45/83/67/532458367.db2.gz HQKXLKPYHKQICE-UHFFFAOYSA-N -1 1 399.192 2.075 20 0 GEADMM O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc(I)c([O-])c1 ZINC000428782616 532460171 /nfs/dbraw/zinc/46/01/71/532460171.db2.gz HFTMSHBQGKGZOP-JOYOIKCWSA-N -1 1 375.206 2.278 20 0 GEADMM Cc1sccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000295583838 532460213 /nfs/dbraw/zinc/46/02/13/532460213.db2.gz DVOBLRBOAJVMEA-UHFFFAOYSA-N -1 1 382.463 2.035 20 0 GEADMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000628810519 532473503 /nfs/dbraw/zinc/47/35/03/532473503.db2.gz MPKDRHQWNHWADV-VXGBXAGGSA-N -1 1 380.388 2.001 20 0 GEADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1F ZINC000468900685 532480725 /nfs/dbraw/zinc/48/07/25/532480725.db2.gz JGGOSSSALYUILL-UHFFFAOYSA-N -1 1 385.438 2.201 20 0 GEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)cc1 ZINC000468969688 532483599 /nfs/dbraw/zinc/48/35/99/532483599.db2.gz OBCQBNIYCANSNL-UHFFFAOYSA-N -1 1 385.438 2.374 20 0 GEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1(c2cncc(Br)c2)CC1 ZINC000684998512 532488535 /nfs/dbraw/zinc/48/85/35/532488535.db2.gz GEWVHDAQOFPYMJ-AWEZNQCLSA-N -1 1 399.252 2.295 20 0 GEADMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000593637705 532490913 /nfs/dbraw/zinc/49/09/13/532490913.db2.gz ZWZVWCTWVZFUBI-SECBINFHSA-N -1 1 388.642 2.282 20 0 GEADMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000593651169 532493150 /nfs/dbraw/zinc/49/31/50/532493150.db2.gz ZIKNLEVFICOZKE-OLZOCXBDSA-N -1 1 383.457 2.232 20 0 GEADMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000593651168 532493170 /nfs/dbraw/zinc/49/31/70/532493170.db2.gz ZIKNLEVFICOZKE-CHWSQXEVSA-N -1 1 383.457 2.232 20 0 GEADMM C[C@H]1CC(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000520466275 532494068 /nfs/dbraw/zinc/49/40/68/532494068.db2.gz AVKWEWQQCOHYNJ-UWVGGRQHSA-N -1 1 395.308 2.344 20 0 GEADMM C[C@H](CO)C1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000593829047 532497262 /nfs/dbraw/zinc/49/72/62/532497262.db2.gz BHTISIDTUQLWLK-SNVBAGLBSA-N -1 1 389.233 2.477 20 0 GEADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(I)ccc1[O-] ZINC000195328833 532475017 /nfs/dbraw/zinc/47/50/17/532475017.db2.gz IQJKGWXRCFETKT-DTWKUNHWSA-N -1 1 390.221 2.030 20 0 GEADMM CC[C@@H](C(=O)[O-])N(C)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000593925327 532502484 /nfs/dbraw/zinc/50/24/84/532502484.db2.gz OOBQFNFFRVRPEY-JTQLQIEISA-N -1 1 387.177 2.103 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)C)c1F ZINC000594455447 532506867 /nfs/dbraw/zinc/50/68/67/532506867.db2.gz ZFOQIIITCLDTDH-SECBINFHSA-N -1 1 395.836 2.132 20 0 GEADMM COc1ccc([C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C(=O)[O-])cc1Br ZINC000630187137 532506996 /nfs/dbraw/zinc/50/69/96/532506996.db2.gz IYUCCCGWBVRPAN-YMTOWFKASA-N -1 1 396.241 2.302 20 0 GEADMM CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(=O)OC ZINC000594462842 532508260 /nfs/dbraw/zinc/50/82/60/532508260.db2.gz MZKGKPOZAYLLLV-LLVKDONJSA-N -1 1 395.836 2.276 20 0 GEADMM COc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1Br ZINC000630224906 532510454 /nfs/dbraw/zinc/51/04/54/532510454.db2.gz QTGFWIIXBKCDLP-NSHDSACASA-N -1 1 385.258 2.079 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCOCC(F)(F)F)C1CCCCCC1 ZINC000594481925 532511142 /nfs/dbraw/zinc/51/11/42/532511142.db2.gz JKUWKHJATPWJFQ-CYBMUJFWSA-N -1 1 389.436 2.387 20 0 GEADMM COc1ccc(Cl)cc1CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC000521317900 532511627 /nfs/dbraw/zinc/51/16/27/532511627.db2.gz CXWYLHLESSKDPF-UHFFFAOYSA-N -1 1 385.751 2.370 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000564086720 532515661 /nfs/dbraw/zinc/51/56/61/532515661.db2.gz RKHQRJBUJMKHPQ-MRXNPFEDSA-N -1 1 382.869 2.329 20 0 GEADMM O=C(NCCCn1ccnn1)c1c([O-])cnc2c(Br)cccc21 ZINC000685824719 532498168 /nfs/dbraw/zinc/49/81/68/532498168.db2.gz LFMMNNVAUYUGCX-UHFFFAOYSA-N -1 1 376.214 2.115 20 0 GEADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccon1 ZINC000685809150 532498229 /nfs/dbraw/zinc/49/82/29/532498229.db2.gz QEAIRQMQIBSCDV-MRVPVSSYSA-N -1 1 378.237 2.137 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(CC3(F)F)CC2)c(F)c1 ZINC000651858913 532498961 /nfs/dbraw/zinc/49/89/61/532498961.db2.gz JLOMOBPTXZLDLD-UHFFFAOYSA-N -1 1 398.428 2.007 20 0 GEADMM O=C(NCCC1(CO)CCC1)c1cc(I)ccc1[O-] ZINC000593880119 532500204 /nfs/dbraw/zinc/50/02/04/532500204.db2.gz RKWZTGZDHKMIPP-UHFFFAOYSA-N -1 1 375.206 2.279 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000246231892 532535683 /nfs/dbraw/zinc/53/56/83/532535683.db2.gz HWUGALRPAGKWOA-VHSXEESVSA-N -1 1 388.205 2.025 20 0 GEADMM O=C1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H](C2CC2)N1 ZINC000375179761 532539491 /nfs/dbraw/zinc/53/94/91/532539491.db2.gz HUIPIYYORYWNNC-DGCLKSJQSA-N -1 1 381.256 2.468 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)o1 ZINC000283461333 532539924 /nfs/dbraw/zinc/53/99/24/532539924.db2.gz XOMUWRAZPFOCPZ-NSHDSACASA-N -1 1 380.388 2.382 20 0 GEADMM Cc1cnc(CS(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)nc1 ZINC000564498878 532524724 /nfs/dbraw/zinc/52/47/24/532524724.db2.gz RHYKJVOCXOBTFC-UHFFFAOYSA-N -1 1 382.243 2.101 20 0 GEADMM Cc1cnc(CS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)nc1 ZINC000564498878 532524735 /nfs/dbraw/zinc/52/47/35/532524735.db2.gz RHYKJVOCXOBTFC-UHFFFAOYSA-N -1 1 382.243 2.101 20 0 GEADMM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000594772767 532525089 /nfs/dbraw/zinc/52/50/89/532525089.db2.gz MYPIPESDZBFARW-JTQLQIEISA-N -1 1 379.276 2.243 20 0 GEADMM CC(C)COC[C@H](O)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000564505277 532526685 /nfs/dbraw/zinc/52/66/85/532526685.db2.gz NTHUPXWGRZLNCW-LLVKDONJSA-N -1 1 397.269 2.466 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1c(Cl)ccnc1Cl ZINC000283281965 532529060 /nfs/dbraw/zinc/52/90/60/532529060.db2.gz UIXAQUGTOZDNIA-MFKMUULPSA-N -1 1 395.308 2.234 20 0 GEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)[nH]n1 ZINC000470485221 532529873 /nfs/dbraw/zinc/52/98/73/532529873.db2.gz CILVDPUHDTVRPS-LLVKDONJSA-N -1 1 386.499 2.022 20 0 GEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc([C@@H]2CSc3ccccc32)no1 ZINC000296588292 532530573 /nfs/dbraw/zinc/53/05/73/532530573.db2.gz WORJQVUSFJDHAL-CYBMUJFWSA-N -1 1 383.495 2.152 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCC1CC1)c1ccccc1Br ZINC000594842700 532533337 /nfs/dbraw/zinc/53/33/37/532533337.db2.gz GSERYIRRMRQVHQ-ZDUSSCGKSA-N -1 1 376.272 2.383 20 0 GEADMM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1=O ZINC000471586290 532554037 /nfs/dbraw/zinc/55/40/37/532554037.db2.gz PYVMAZMVRJSUMK-SNVBAGLBSA-N -1 1 399.669 2.141 20 0 GEADMM CN1CC[C@H]2CCN(S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000375578084 532567135 /nfs/dbraw/zinc/56/71/35/532567135.db2.gz NALDUTWKUOMOCK-TVQRCGJNSA-N -1 1 393.292 2.406 20 0 GEADMM O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1s[n-]c(=O)c1Cl ZINC000283610745 532549006 /nfs/dbraw/zinc/54/90/06/532549006.db2.gz YZNIGOHBHYFDQX-QWHCGFSZSA-N -1 1 381.885 2.115 20 0 GEADMM CSc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(Cl)cc1Cl ZINC000473466621 532590991 /nfs/dbraw/zinc/59/09/91/532590991.db2.gz XVRSDLBEXDERPF-UHFFFAOYSA-N -1 1 381.266 2.489 20 0 GEADMM CSc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(Cl)cc1Cl ZINC000473466621 532590994 /nfs/dbraw/zinc/59/09/94/532590994.db2.gz XVRSDLBEXDERPF-UHFFFAOYSA-N -1 1 381.266 2.489 20 0 GEADMM Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000565592406 532571819 /nfs/dbraw/zinc/57/18/19/532571819.db2.gz SOBJOBHUWNQDIR-ZDUSSCGKSA-N -1 1 379.463 2.215 20 0 GEADMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433637097 532574746 /nfs/dbraw/zinc/57/47/46/532574746.db2.gz COUAHOSITWKLRA-UHFFFAOYSA-N -1 1 389.724 2.215 20 0 GEADMM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000632497356 532616245 /nfs/dbraw/zinc/61/62/45/532616245.db2.gz FGKWJTMWJIGKET-SSDOTTSWSA-N -1 1 397.245 2.370 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ncnn1C ZINC000474385804 532616294 /nfs/dbraw/zinc/61/62/94/532616294.db2.gz VHCJABAZAKJVJP-RXMQYKEDSA-N -1 1 385.696 2.332 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)c1ccc(F)cc1 ZINC000530157763 532618522 /nfs/dbraw/zinc/61/85/22/532618522.db2.gz VZSGWUIWEDSFMF-GFCCVEGCSA-N -1 1 392.250 2.451 20 0 GEADMM CC(C)c1nc(C2(NS(=O)(=O)c3csnc3C(=O)[O-])CCCC2)no1 ZINC000566172743 532598022 /nfs/dbraw/zinc/59/80/22/532598022.db2.gz FIXFRFUOPNXCTB-UHFFFAOYSA-N -1 1 386.455 2.096 20 0 GEADMM Cc1noc2ncc(S(=O)(=O)[N-][C@H](C[C@H]3CCCO3)C(F)(F)F)cc12 ZINC000655662014 532599909 /nfs/dbraw/zinc/59/99/09/532599909.db2.gz LYTUUVAKBZMCRT-BXKDBHETSA-N -1 1 379.360 2.310 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C(C)(C)C(=O)c2ccccc2)c(C(F)(F)F)n1 ZINC000632354786 532605177 /nfs/dbraw/zinc/60/51/77/532605177.db2.gz QQFFQCDSFUKALB-UHFFFAOYSA-N -1 1 375.372 2.379 20 0 GEADMM CC(C)n1cc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)nn1 ZINC000632528627 532621823 /nfs/dbraw/zinc/62/18/23/532621823.db2.gz DKEQQEQCDVKLMC-UHFFFAOYSA-N -1 1 395.229 2.378 20 0 GEADMM Cn1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)cn1 ZINC000632530127 532621949 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C[C@@H]1C[C@H](CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)O1 ZINC000412635008 532797843 /nfs/dbraw/zinc/79/78/43/532797843.db2.gz BTDYIPSKXPJZLT-OUAUKWLOSA-N -1 1 395.308 2.201 20 0 GEADMM Cc1cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)sc1Br ZINC000550794159 532798626 /nfs/dbraw/zinc/79/86/26/532798626.db2.gz ZZTSHPPKYCXVBM-UHFFFAOYSA-N -1 1 387.284 2.275 20 0 GEADMM Cc1nnc([C@H]2CCN(C(=O)c3cc(I)ccc3[O-])C2)[nH]1 ZINC000412790190 532800969 /nfs/dbraw/zinc/80/09/69/532800969.db2.gz YMHOIWLIQWNNAU-VIFPVBQESA-N -1 1 398.204 2.053 20 0 GEADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000272491255 532816365 /nfs/dbraw/zinc/81/63/65/532816365.db2.gz SFMADZFKXCQZOM-UHFFFAOYSA-N -1 1 379.410 2.168 20 0 GEADMM COc1cc(Br)c([N-]S(=O)(=O)c2cn(C)nc2C)cc1OC ZINC000288143292 532818645 /nfs/dbraw/zinc/81/86/45/532818645.db2.gz BNQBNUCCSINXFV-UHFFFAOYSA-N -1 1 390.259 2.309 20 0 GEADMM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000288410730 532826717 /nfs/dbraw/zinc/82/67/17/532826717.db2.gz NMJPJHYNOIQFLA-UHFFFAOYSA-N -1 1 398.275 2.170 20 0 GEADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2cc(Cl)c(Cl)cc2n1C ZINC000414472749 532830157 /nfs/dbraw/zinc/83/01/57/532830157.db2.gz OYXVBZYUXOZOQG-SSDOTTSWSA-N -1 1 379.269 2.099 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273741123 532832884 /nfs/dbraw/zinc/83/28/84/532832884.db2.gz OQJGDJBSSHKHBI-PRHODGIISA-N -1 1 393.292 2.453 20 0 GEADMM CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C[C@@H]1N(C)C ZINC000331320689 532837826 /nfs/dbraw/zinc/83/78/26/532837826.db2.gz KPZFUEGJRMKEKT-JQWIXIFHSA-N -1 1 384.445 2.077 20 0 GEADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1 ZINC000331431347 532839199 /nfs/dbraw/zinc/83/91/99/532839199.db2.gz AUMLVKWGTDKZHB-UHFFFAOYSA-N -1 1 385.511 2.300 20 0 GEADMM CCOc1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000273998353 532839332 /nfs/dbraw/zinc/83/93/32/532839332.db2.gz ZIHSIXWBFXFPGM-LBPRGKRZSA-N -1 1 379.887 2.004 20 0 GEADMM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000274158143 532842442 /nfs/dbraw/zinc/84/24/42/532842442.db2.gz MBUDTCIHUQTHLS-LBPRGKRZSA-N -1 1 382.463 2.294 20 0 GEADMM Cc1c(=O)[n-]c(SCC(=O)N[C@@H]2CCSC2=O)nc1-c1ccccc1 ZINC000274326954 532848121 /nfs/dbraw/zinc/84/81/21/532848121.db2.gz KCKPKFMBPRXNOA-GFCCVEGCSA-N -1 1 375.475 2.398 20 0 GEADMM COCCOCCOCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000274390627 532849710 /nfs/dbraw/zinc/84/97/10/532849710.db2.gz KOPQADDRCTVJDW-UHFFFAOYSA-N -1 1 392.326 2.403 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCSC3(CCOCC3)C2)c(=O)[n-]1 ZINC000274581742 532852340 /nfs/dbraw/zinc/85/23/40/532852340.db2.gz OESCKTSEEOZBOQ-UHFFFAOYSA-N -1 1 383.539 2.270 20 0 GEADMM O=C(CN1CCCC[C@H]1c1nc(=O)[n-][nH]1)Nc1ccc(Br)cc1F ZINC000289369319 532853425 /nfs/dbraw/zinc/85/34/25/532853425.db2.gz OYKDAFGBRDVTEO-LBPRGKRZSA-N -1 1 398.236 2.165 20 0 GEADMM CCOC(=O)c1sc(NC(=O)CSc2nc(C(=O)OC)c[n-]2)cc1C ZINC000274919564 532859761 /nfs/dbraw/zinc/85/97/61/532859761.db2.gz MRNOGLHEVJYAMC-UHFFFAOYSA-N -1 1 383.451 2.474 20 0 GEADMM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000332695014 532860739 /nfs/dbraw/zinc/86/07/39/532860739.db2.gz RJBCKNTXHLVGPA-UHFFFAOYSA-N -1 1 375.372 2.262 20 0 GEADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000289643076 532861687 /nfs/dbraw/zinc/86/16/87/532861687.db2.gz SNXKQYJJEUNSFK-ZDUSSCGKSA-N -1 1 378.416 2.383 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000416147333 532864818 /nfs/dbraw/zinc/86/48/18/532864818.db2.gz XDTRDZVCXIPCLP-QMMMGPOBSA-N -1 1 382.214 2.020 20 0 GEADMM [NH3+]CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000275195525 532868259 /nfs/dbraw/zinc/86/82/59/532868259.db2.gz YIWWLJMUFGMJBO-JTQLQIEISA-N -1 1 388.795 2.219 20 0 GEADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000014097539 207011434 /nfs/dbraw/zinc/01/14/34/207011434.db2.gz HGNKVOKXMPQBEU-UHFFFAOYSA-N -1 1 397.474 2.442 20 0 GEADMM Cc1nc(CCCNS(=O)(=O)c2c(F)cccc2F)sc1C(=O)[O-] ZINC000275250786 532869844 /nfs/dbraw/zinc/86/98/44/532869844.db2.gz LENXRDGOIVBVOH-UHFFFAOYSA-N -1 1 376.406 2.339 20 0 GEADMM Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000275281883 532870919 /nfs/dbraw/zinc/87/09/19/532870919.db2.gz KMERDQRNAHMNPS-HZMBPMFUSA-N -1 1 375.372 2.036 20 0 GEADMM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cn1 ZINC000275290883 532871716 /nfs/dbraw/zinc/87/17/16/532871716.db2.gz LPSMJKAEZSYZOS-NWDGAFQWSA-N -1 1 391.280 2.321 20 0 GEADMM Cc1nc2n(n1)CCN(C(=O)c1c([O-])cnc3c(Br)cccc31)C2 ZINC000290278281 532877118 /nfs/dbraw/zinc/87/71/18/532877118.db2.gz FXFJYXROSVWVEZ-UHFFFAOYSA-N -1 1 388.225 2.259 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2cc3c(s2)CCOC3)C1)C(F)(F)F ZINC000290360245 532879114 /nfs/dbraw/zinc/87/91/14/532879114.db2.gz MGEHRUXJTWSTJD-JTQLQIEISA-N -1 1 376.400 2.352 20 0 GEADMM CCCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nccc2sccc21 ZINC000349521256 532881908 /nfs/dbraw/zinc/88/19/08/532881908.db2.gz LQIBTTCGYMDVGY-UHFFFAOYSA-N -1 1 391.540 2.100 20 0 GEADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CCCC2)c1 ZINC000349524332 532882246 /nfs/dbraw/zinc/88/22/46/532882246.db2.gz ZYYCWZUMJPBNIE-UHFFFAOYSA-N -1 1 389.543 2.034 20 0 GEADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCCO1 ZINC000290400544 532880082 /nfs/dbraw/zinc/88/00/82/532880082.db2.gz LLKBCRJLPIVKQH-GWCFXTLKSA-N -1 1 395.308 2.346 20 0 GEADMM CC(C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000349464810 532881144 /nfs/dbraw/zinc/88/11/44/532881144.db2.gz CIVWKQOJIVODCS-NSHDSACASA-N -1 1 384.470 2.038 20 0 GEADMM CC(C)c1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C1CCC1 ZINC000349498069 532881488 /nfs/dbraw/zinc/88/14/88/532881488.db2.gz ALDAYYJDKIFWAW-UHFFFAOYSA-N -1 1 389.543 2.151 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c(=O)[n-]1 ZINC000290620725 532885330 /nfs/dbraw/zinc/88/53/30/532885330.db2.gz FTSJZVZQCAONDD-LBPRGKRZSA-N -1 1 381.889 2.469 20 0 GEADMM CN(C)S(=O)(=O)CC(N=c1nc(C2CCCCC2)[n-]s1)C(F)(F)F ZINC000420622995 532884359 /nfs/dbraw/zinc/88/43/59/532884359.db2.gz IQOPAOVNRARUMQ-SNVBAGLBSA-N -1 1 386.465 2.242 20 0 GEADMM COC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)OC ZINC000276173148 532890162 /nfs/dbraw/zinc/89/01/62/532890162.db2.gz CYNVJNRXGZUMEN-ZETCQYMHSA-N -1 1 390.658 2.181 20 0 GEADMM COC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)OC ZINC000276173142 532890320 /nfs/dbraw/zinc/89/03/20/532890320.db2.gz CYNVJNRXGZUMEN-SSDOTTSWSA-N -1 1 390.658 2.181 20 0 GEADMM CCCS(=O)(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000424058711 532895135 /nfs/dbraw/zinc/89/51/35/532895135.db2.gz ABCHPYVUEJDDHU-UHFFFAOYSA-N -1 1 384.479 2.022 20 0 GEADMM C[C@H](O)C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000291123584 532896269 /nfs/dbraw/zinc/89/62/69/532896269.db2.gz UQSFMDIMBDBZPX-QWRGUYRKSA-N -1 1 395.308 2.034 20 0 GEADMM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000291256987 532899145 /nfs/dbraw/zinc/89/91/45/532899145.db2.gz KKPCFCQDPKVWMI-VIFPVBQESA-N -1 1 390.234 2.028 20 0 GEADMM CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000291536167 532904120 /nfs/dbraw/zinc/90/41/20/532904120.db2.gz KUGNJSSJQIMRBJ-QWRGUYRKSA-N -1 1 395.308 2.298 20 0 GEADMM CC(=O)N1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@@H](C)C1 ZINC000292282691 532914808 /nfs/dbraw/zinc/91/48/08/532914808.db2.gz UXFSGQFQKIHMIL-JTQLQIEISA-N -1 1 392.253 2.396 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc2c1CN(C)C2 ZINC000366176399 532915281 /nfs/dbraw/zinc/91/52/81/532915281.db2.gz FYBVVPOXJCRRMV-UHFFFAOYSA-N -1 1 380.491 2.145 20 0 GEADMM CSc1nc(=NC(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)s[n-]1 ZINC000366270975 532915737 /nfs/dbraw/zinc/91/57/37/532915737.db2.gz PCRSPLCZWRUVRH-BXKDBHETSA-N -1 1 398.583 2.479 20 0 GEADMM CSc1nc(=NC(=O)N[C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)s[n-]1 ZINC000366270975 532915739 /nfs/dbraw/zinc/91/57/39/532915739.db2.gz PCRSPLCZWRUVRH-BXKDBHETSA-N -1 1 398.583 2.479 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)c(C(F)(F)F)n1 ZINC000293107282 532922178 /nfs/dbraw/zinc/92/21/78/532922178.db2.gz OGWYZKDOLNBRHW-CYBMUJFWSA-N -1 1 395.428 2.267 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCC2(OC)CCC2)c(Br)o1 ZINC000292917485 532920075 /nfs/dbraw/zinc/92/00/75/532920075.db2.gz XRAMKOVFPFQYEV-UHFFFAOYSA-N -1 1 396.259 2.066 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000366770043 532921117 /nfs/dbraw/zinc/92/11/17/532921117.db2.gz CJTPWYVIYPAWPM-UHFFFAOYSA-N -1 1 396.184 2.296 20 0 GEADMM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293148600 532922822 /nfs/dbraw/zinc/92/28/22/532922822.db2.gz QTYNWQRQDYUCRI-MRVPVSSYSA-N -1 1 381.401 2.440 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c(C(F)(F)F)n1 ZINC000293660048 532929749 /nfs/dbraw/zinc/92/97/49/532929749.db2.gz YONFGMCWGFVFTC-UHFFFAOYSA-N -1 1 385.314 2.074 20 0 GEADMM O=S(=O)(Cc1noc(-c2cccc(Cl)c2)n1)c1nc2ncncc2[n-]1 ZINC000368414721 532932287 /nfs/dbraw/zinc/93/22/87/532932287.db2.gz ZIQDSBLOTMNOCY-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM O=S(=O)(Cc1noc(-c2cccc(Cl)c2)n1)c1nc2cncnc2[n-]1 ZINC000368414721 532932288 /nfs/dbraw/zinc/93/22/88/532932288.db2.gz ZIQDSBLOTMNOCY-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM O=S(=O)(Cc1noc(-c2cccc(Cl)c2)n1)c1nc2c[n-]cnc-2n1 ZINC000368414721 532932289 /nfs/dbraw/zinc/93/22/89/532932289.db2.gz ZIQDSBLOTMNOCY-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)s2)cs1 ZINC000368565055 532933235 /nfs/dbraw/zinc/93/32/35/532933235.db2.gz ZPKRJKNMXMKORH-STQMWFEESA-N -1 1 399.563 2.322 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000368872270 532934729 /nfs/dbraw/zinc/93/47/29/532934729.db2.gz ILBSDRKDESKHAF-UHFFFAOYSA-N -1 1 395.253 2.298 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)o1 ZINC000294277630 532937662 /nfs/dbraw/zinc/93/76/62/532937662.db2.gz ZNFXPAWXRLOAJC-ZDUSSCGKSA-N -1 1 384.841 2.135 20 0 GEADMM CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000370569742 532944213 /nfs/dbraw/zinc/94/42/13/532944213.db2.gz UFSZIEXROQPVPB-GDBMZVCRSA-N -1 1 386.901 2.385 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000371541600 532948580 /nfs/dbraw/zinc/94/85/80/532948580.db2.gz CTWXEQANTMNSRR-MRXNPFEDSA-N -1 1 396.241 2.122 20 0 GEADMM CCOc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736644011 598844551 /nfs/dbraw/zinc/84/45/51/598844551.db2.gz DNGLBJJWZREUSL-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CCOc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736644011 598844553 /nfs/dbraw/zinc/84/45/53/598844553.db2.gz DNGLBJJWZREUSL-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)c1cccnc1 ZINC000737488157 598844577 /nfs/dbraw/zinc/84/45/77/598844577.db2.gz POTZSIGWHKXYCG-CYBMUJFWSA-N -1 1 392.423 2.158 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)c1cccnc1 ZINC000737488157 598844579 /nfs/dbraw/zinc/84/45/79/598844579.db2.gz POTZSIGWHKXYCG-CYBMUJFWSA-N -1 1 392.423 2.158 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@@H]2CCCC[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551111 598848410 /nfs/dbraw/zinc/84/84/10/598848410.db2.gz FTSABOTWGABBLW-GXFFZTMASA-N -1 1 391.428 2.154 20 0 GEADMM CCc1nc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000736705199 598874235 /nfs/dbraw/zinc/87/42/35/598874235.db2.gz YVOYLWMVLHQAPX-UHFFFAOYSA-N -1 1 398.901 2.360 20 0 GEADMM CCc1nc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000736705199 598874236 /nfs/dbraw/zinc/87/42/36/598874236.db2.gz YVOYLWMVLHQAPX-UHFFFAOYSA-N -1 1 398.901 2.360 20 0 GEADMM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)cc1 ZINC000736779918 598890132 /nfs/dbraw/zinc/89/01/32/598890132.db2.gz NGVZCUVBHPJXTJ-UHFFFAOYSA-N -1 1 378.845 2.387 20 0 GEADMM Cc1nnc(CNC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)o1 ZINC000737521927 598906704 /nfs/dbraw/zinc/90/67/04/598906704.db2.gz OJOZSGPRINEHQS-UHFFFAOYSA-N -1 1 396.436 2.286 20 0 GEADMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000736602163 598929354 /nfs/dbraw/zinc/92/93/54/598929354.db2.gz HXUMPJJWOIVCRA-UHFFFAOYSA-N -1 1 387.421 2.153 20 0 GEADMM COc1cccc2c1OC[C@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000737142614 598937136 /nfs/dbraw/zinc/93/71/36/598937136.db2.gz LGOLKDJDUPRZLO-GFCCVEGCSA-N -1 1 375.392 2.234 20 0 GEADMM COc1cccc2c1OC[C@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000737142614 598937137 /nfs/dbraw/zinc/93/71/37/598937137.db2.gz LGOLKDJDUPRZLO-GFCCVEGCSA-N -1 1 375.392 2.234 20 0 GEADMM O=C(c1c(F)cc(F)cc1F)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738247652 598943344 /nfs/dbraw/zinc/94/33/44/598943344.db2.gz SSCBYHGZVZBHTD-UHFFFAOYSA-N -1 1 389.341 2.173 20 0 GEADMM O=C(c1c(F)cc(F)cc1F)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738247652 598943346 /nfs/dbraw/zinc/94/33/46/598943346.db2.gz SSCBYHGZVZBHTD-UHFFFAOYSA-N -1 1 389.341 2.173 20 0 GEADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000736938480 598948296 /nfs/dbraw/zinc/94/82/96/598948296.db2.gz ATGSXKAOKLJLPD-UHFFFAOYSA-N -1 1 388.409 2.154 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000737226043 598949405 /nfs/dbraw/zinc/94/94/05/598949405.db2.gz ZHVMPLTZTHFDRD-UHFFFAOYSA-N -1 1 383.389 2.082 20 0 GEADMM COc1ccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cc1OC ZINC000737091858 598954578 /nfs/dbraw/zinc/95/45/78/598954578.db2.gz ZQPLXRRRHUZLAS-UHFFFAOYSA-N -1 1 377.408 2.464 20 0 GEADMM COc1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc1OC ZINC000737091858 598954580 /nfs/dbraw/zinc/95/45/80/598954580.db2.gz ZQPLXRRRHUZLAS-UHFFFAOYSA-N -1 1 377.408 2.464 20 0 GEADMM c1ccc(N2C[C@H]3CN(c4c5ccccc5nnc4-c4nnn[n-]4)C[C@@H]3C2)cc1 ZINC000738434638 598960639 /nfs/dbraw/zinc/96/06/39/598960639.db2.gz GXSLOHQVTLXGOD-GJZGRUSLSA-N -1 1 384.447 2.383 20 0 GEADMM c1ccc(N2C[C@H]3CN(c4c5ccccc5nnc4-c4nn[n-]n4)C[C@@H]3C2)cc1 ZINC000738434638 598960640 /nfs/dbraw/zinc/96/06/40/598960640.db2.gz GXSLOHQVTLXGOD-GJZGRUSLSA-N -1 1 384.447 2.383 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cnc(C)nc2C(C)C)c(-c2nn[n-]n2)c1C ZINC000737489973 598966921 /nfs/dbraw/zinc/96/69/21/598966921.db2.gz PDTPQFPPQBWADU-UHFFFAOYSA-N -1 1 399.411 2.094 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736422927 598963103 /nfs/dbraw/zinc/96/31/03/598963103.db2.gz KZFROXJVGRWZGC-ZIAGYGMSSA-N -1 1 394.483 2.331 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736422927 598963104 /nfs/dbraw/zinc/96/31/04/598963104.db2.gz KZFROXJVGRWZGC-ZIAGYGMSSA-N -1 1 394.483 2.331 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2F)C[C@H](C)O1 ZINC000736293008 598993922 /nfs/dbraw/zinc/99/39/22/598993922.db2.gz MUVDHWSZQKPTHE-RYUDHWBXSA-N -1 1 397.414 2.267 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2F)C[C@H](C)O1 ZINC000736293008 598993923 /nfs/dbraw/zinc/99/39/23/598993923.db2.gz MUVDHWSZQKPTHE-RYUDHWBXSA-N -1 1 397.414 2.267 20 0 GEADMM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736058388 598996803 /nfs/dbraw/zinc/99/68/03/598996803.db2.gz LZPPCUYUZBDMIL-JTQLQIEISA-N -1 1 387.241 2.385 20 0 GEADMM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736058388 598996805 /nfs/dbraw/zinc/99/68/05/598996805.db2.gz LZPPCUYUZBDMIL-JTQLQIEISA-N -1 1 387.241 2.385 20 0 GEADMM Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737270555 599000339 /nfs/dbraw/zinc/00/03/39/599000339.db2.gz CYJOPOZIICDGGS-UHFFFAOYSA-N -1 1 381.465 2.376 20 0 GEADMM Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737270555 599000341 /nfs/dbraw/zinc/00/03/41/599000341.db2.gz CYJOPOZIICDGGS-UHFFFAOYSA-N -1 1 381.465 2.376 20 0 GEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738018683 599002059 /nfs/dbraw/zinc/00/20/59/599002059.db2.gz DSIZUMAZJJYYJR-GXTWGEPZSA-N -1 1 385.225 2.310 20 0 GEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738018683 599002061 /nfs/dbraw/zinc/00/20/61/599002061.db2.gz DSIZUMAZJJYYJR-GXTWGEPZSA-N -1 1 385.225 2.310 20 0 GEADMM O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738123005 599000715 /nfs/dbraw/zinc/00/07/15/599000715.db2.gz CQLUSLNBVLIPHL-UHFFFAOYSA-N -1 1 379.424 2.298 20 0 GEADMM O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738123005 599000716 /nfs/dbraw/zinc/00/07/16/599000716.db2.gz CQLUSLNBVLIPHL-UHFFFAOYSA-N -1 1 379.424 2.298 20 0 GEADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735998523 599009956 /nfs/dbraw/zinc/00/99/56/599009956.db2.gz OZLSBRWVGNSTBG-JTQLQIEISA-N -1 1 386.416 2.282 20 0 GEADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735998523 599009958 /nfs/dbraw/zinc/00/99/58/599009958.db2.gz OZLSBRWVGNSTBG-JTQLQIEISA-N -1 1 386.416 2.282 20 0 GEADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736798098 599023965 /nfs/dbraw/zinc/02/39/65/599023965.db2.gz OXIRABDLPLBWEB-UHFFFAOYSA-N -1 1 388.435 2.357 20 0 GEADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736798098 599023966 /nfs/dbraw/zinc/02/39/66/599023966.db2.gz OXIRABDLPLBWEB-UHFFFAOYSA-N -1 1 388.435 2.357 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c(Br)cccc2C1 ZINC000738258180 599027569 /nfs/dbraw/zinc/02/75/69/599027569.db2.gz HFLUXNBMTHKSFM-UHFFFAOYSA-N -1 1 385.225 2.223 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c(Br)cccc2C1 ZINC000738258180 599027570 /nfs/dbraw/zinc/02/75/70/599027570.db2.gz HFLUXNBMTHKSFM-UHFFFAOYSA-N -1 1 385.225 2.223 20 0 GEADMM COc1ccccc1CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737153955 599028073 /nfs/dbraw/zinc/02/80/73/599028073.db2.gz WSFFSVPUTSSOIZ-UHFFFAOYSA-N -1 1 378.436 2.365 20 0 GEADMM COc1ccccc1CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737153955 599028075 /nfs/dbraw/zinc/02/80/75/599028075.db2.gz WSFFSVPUTSSOIZ-UHFFFAOYSA-N -1 1 378.436 2.365 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000738259615 599028954 /nfs/dbraw/zinc/02/89/54/599028954.db2.gz SSBHQZSFSPPTAH-HNNXBMFYSA-N -1 1 378.392 2.010 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000738259615 599028956 /nfs/dbraw/zinc/02/89/56/599028956.db2.gz SSBHQZSFSPPTAH-HNNXBMFYSA-N -1 1 378.392 2.010 20 0 GEADMM CN(Cc1ccc(F)cc1F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736819417 599032890 /nfs/dbraw/zinc/03/28/90/599032890.db2.gz LHJLOXADNUXSCM-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM CN(Cc1ccc(F)cc1F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736819417 599032893 /nfs/dbraw/zinc/03/28/93/599032893.db2.gz LHJLOXADNUXSCM-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820804642 599043904 /nfs/dbraw/zinc/04/39/04/599043904.db2.gz WPKLSQFZYFJWJD-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820804642 599043907 /nfs/dbraw/zinc/04/39/07/599043907.db2.gz WPKLSQFZYFJWJD-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1cccc(Br)c1 ZINC000820280890 599086837 /nfs/dbraw/zinc/08/68/37/599086837.db2.gz OSHWCMFPJZLASE-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1cccc(Br)c1 ZINC000820280890 599086840 /nfs/dbraw/zinc/08/68/40/599086840.db2.gz OSHWCMFPJZLASE-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000737189161 599099684 /nfs/dbraw/zinc/09/96/84/599099684.db2.gz KIKFHAHQUAOUDV-JQWIXIFHSA-N -1 1 388.497 2.142 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000737189160 599100030 /nfs/dbraw/zinc/10/00/30/599100030.db2.gz KIKFHAHQUAOUDV-CMPLNLGQSA-N -1 1 388.497 2.142 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000737188649 599102400 /nfs/dbraw/zinc/10/24/00/599102400.db2.gz CZRZBKQWNHRIKS-VIFPVBQESA-N -1 1 384.469 2.086 20 0 GEADMM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737262769 599132264 /nfs/dbraw/zinc/13/22/64/599132264.db2.gz GEUWQQDILMQYMM-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737262769 599132266 /nfs/dbraw/zinc/13/22/66/599132266.db2.gz GEUWQQDILMQYMM-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)c1ccccc1 ZINC000735735284 599133973 /nfs/dbraw/zinc/13/39/73/599133973.db2.gz QKRVONNYSXUCKL-INIZCTEOSA-N -1 1 380.408 2.106 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)c1ccccc1 ZINC000735735284 599133975 /nfs/dbraw/zinc/13/39/75/599133975.db2.gz QKRVONNYSXUCKL-INIZCTEOSA-N -1 1 380.408 2.106 20 0 GEADMM CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735781182 599135720 /nfs/dbraw/zinc/13/57/20/599135720.db2.gz CUMLKIXFMOGFSQ-QGZVFWFLSA-N -1 1 394.435 2.322 20 0 GEADMM CC(C)C[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735781182 599135723 /nfs/dbraw/zinc/13/57/23/599135723.db2.gz CUMLKIXFMOGFSQ-QGZVFWFLSA-N -1 1 394.435 2.322 20 0 GEADMM CC(C)C[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735781181 599135778 /nfs/dbraw/zinc/13/57/78/599135778.db2.gz CUMLKIXFMOGFSQ-KRWDZBQOSA-N -1 1 394.435 2.322 20 0 GEADMM CC(C)C[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735781181 599135780 /nfs/dbraw/zinc/13/57/80/599135780.db2.gz CUMLKIXFMOGFSQ-KRWDZBQOSA-N -1 1 394.435 2.322 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736158898 599135972 /nfs/dbraw/zinc/13/59/72/599135972.db2.gz SRDNHTJAHGRGAN-QMMMGPOBSA-N -1 1 390.762 2.238 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736158898 599135974 /nfs/dbraw/zinc/13/59/74/599135974.db2.gz SRDNHTJAHGRGAN-QMMMGPOBSA-N -1 1 390.762 2.238 20 0 GEADMM CCc1ccc(-c2noc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000736676134 599138670 /nfs/dbraw/zinc/13/86/70/599138670.db2.gz AEFIXVDHMYRCMY-UHFFFAOYSA-N -1 1 377.364 2.231 20 0 GEADMM CCc1ccc(-c2noc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000736676134 599138672 /nfs/dbraw/zinc/13/86/72/599138672.db2.gz AEFIXVDHMYRCMY-UHFFFAOYSA-N -1 1 377.364 2.231 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735625897 599153067 /nfs/dbraw/zinc/15/30/67/599153067.db2.gz GZQKBKLMRLZZQG-GFCCVEGCSA-N -1 1 388.428 2.066 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735625897 599153069 /nfs/dbraw/zinc/15/30/69/599153069.db2.gz GZQKBKLMRLZZQG-GFCCVEGCSA-N -1 1 388.428 2.066 20 0 GEADMM COc1ccc(-c2nc(SCc3ccon3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055178 599158740 /nfs/dbraw/zinc/15/87/40/599158740.db2.gz AETYJGJYQCIBKC-UHFFFAOYSA-N -1 1 383.393 2.318 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000737300559 599193177 /nfs/dbraw/zinc/19/31/77/599193177.db2.gz AYHLVPKHNRVFAR-UHFFFAOYSA-N -1 1 381.421 2.162 20 0 GEADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C(C)C ZINC000735460267 599196262 /nfs/dbraw/zinc/19/62/62/599196262.db2.gz FOUHRLITSHHGFM-UHFFFAOYSA-N -1 1 379.424 2.271 20 0 GEADMM CC(=O)N(Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)C(C)C ZINC000735460267 599196266 /nfs/dbraw/zinc/19/62/66/599196266.db2.gz FOUHRLITSHHGFM-UHFFFAOYSA-N -1 1 379.424 2.271 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(C(=O)[O-])CC2)cc1OC ZINC000739892673 596920108 /nfs/dbraw/zinc/92/01/08/596920108.db2.gz MJDHDUBAIWZYLU-INIZCTEOSA-N -1 1 376.453 2.164 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)CCC(=O)[O-])c1 ZINC000485961791 597006180 /nfs/dbraw/zinc/00/61/80/597006180.db2.gz XSIANFCZLSUTIQ-UHFFFAOYSA-N -1 1 392.433 2.043 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOc2ccc(Cl)cc21 ZINC000738354785 599237643 /nfs/dbraw/zinc/23/76/43/599237643.db2.gz KFBRCNZBDOICIW-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOc2ccc(Cl)cc21 ZINC000738354785 599237645 /nfs/dbraw/zinc/23/76/45/599237645.db2.gz KFBRCNZBDOICIW-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@H](CC(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000769756419 597084145 /nfs/dbraw/zinc/08/41/45/597084145.db2.gz SLXZWMRUKGYOAW-BRWVUGGUSA-N -1 1 389.496 2.425 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000819018774 597086750 /nfs/dbraw/zinc/08/67/50/597086750.db2.gz PCYVOHSVHVIOKW-KRWDZBQOSA-N -1 1 384.480 2.292 20 0 GEADMM O=C([O-])CSCC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571921071 597101750 /nfs/dbraw/zinc/10/17/50/597101750.db2.gz YNGIADBYZGXFEP-ZDUSSCGKSA-N -1 1 376.400 2.214 20 0 GEADMM CCCN(C(=O)c1cccs1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000821081893 607307080 /nfs/dbraw/zinc/30/70/80/607307080.db2.gz DIXWAALTUVMRGA-UHFFFAOYSA-N -1 1 398.496 2.239 20 0 GEADMM CCCN(C(=O)c1cccs1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000821081893 607307081 /nfs/dbraw/zinc/30/70/81/607307081.db2.gz DIXWAALTUVMRGA-UHFFFAOYSA-N -1 1 398.496 2.239 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000820996501 597491018 /nfs/dbraw/zinc/49/10/18/597491018.db2.gz CUWWIZNTIJJVBJ-QZTJIDSGSA-N -1 1 381.432 2.193 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000821421181 598174634 /nfs/dbraw/zinc/17/46/34/598174634.db2.gz JKNCYODWKMOKJO-MRXNPFEDSA-N -1 1 381.432 2.104 20 0 GEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)NCc3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000819932769 598191343 /nfs/dbraw/zinc/19/13/43/598191343.db2.gz ZGLGPQFMYMWBCO-AWEZNQCLSA-N -1 1 387.440 2.084 20 0 GEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)NCc3cccc(C(=O)[O-])c3)CCO2)[nH]1 ZINC000819932769 598191344 /nfs/dbraw/zinc/19/13/44/598191344.db2.gz ZGLGPQFMYMWBCO-AWEZNQCLSA-N -1 1 387.440 2.084 20 0 GEADMM N=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(C(=O)[O-])c2)N1)OCCCO4 ZINC000821357405 598201218 /nfs/dbraw/zinc/20/12/18/598201218.db2.gz OYCINIMOVQXPJQ-MRXNPFEDSA-N -1 1 379.376 2.393 20 0 GEADMM O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738327984 598259538 /nfs/dbraw/zinc/25/95/38/598259538.db2.gz AEEDPPYUUKNIHF-UHFFFAOYSA-N -1 1 392.444 2.330 20 0 GEADMM O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738327984 598259539 /nfs/dbraw/zinc/25/95/39/598259539.db2.gz AEEDPPYUUKNIHF-UHFFFAOYSA-N -1 1 392.444 2.330 20 0 GEADMM O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338285 598262916 /nfs/dbraw/zinc/26/29/16/598262916.db2.gz FVBUMBIRJNLMOB-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338285 598262917 /nfs/dbraw/zinc/26/29/17/598262917.db2.gz FVBUMBIRJNLMOB-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000737338020 598268771 /nfs/dbraw/zinc/26/87/71/598268771.db2.gz WTCKNHGLKUSOLP-UHFFFAOYSA-N -1 1 378.483 2.231 20 0 GEADMM Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000737338020 598268772 /nfs/dbraw/zinc/26/87/72/598268772.db2.gz WTCKNHGLKUSOLP-UHFFFAOYSA-N -1 1 378.483 2.231 20 0 GEADMM CCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736471959 598269994 /nfs/dbraw/zinc/26/99/94/598269994.db2.gz LQKQLAGZGNJUPV-KRWDZBQOSA-N -1 1 384.465 2.350 20 0 GEADMM CCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736471959 598269995 /nfs/dbraw/zinc/26/99/95/598269995.db2.gz LQKQLAGZGNJUPV-KRWDZBQOSA-N -1 1 384.465 2.350 20 0 GEADMM Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)n1 ZINC000737399127 598276801 /nfs/dbraw/zinc/27/68/01/598276801.db2.gz LIVNVYMISARRIS-LBPRGKRZSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)n1 ZINC000737399127 598276803 /nfs/dbraw/zinc/27/68/03/598276803.db2.gz LIVNVYMISARRIS-LBPRGKRZSA-N -1 1 398.858 2.474 20 0 GEADMM Fc1ccc(-c2noc([C@@H]3CCCN(c4nccnc4-c4nnn[n-]4)C3)n2)cc1 ZINC000737652630 598351960 /nfs/dbraw/zinc/35/19/60/598351960.db2.gz VVALXELJJBMRCU-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1ccc(-c2noc([C@@H]3CCCN(c4nccnc4-c4nn[n-]n4)C3)n2)cc1 ZINC000737652630 598351962 /nfs/dbraw/zinc/35/19/62/598351962.db2.gz VVALXELJJBMRCU-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@@H](O)COC(C)C)n1 ZINC000737246488 598376020 /nfs/dbraw/zinc/37/60/20/598376020.db2.gz VDWDJJIBFNUBHU-VIFPVBQESA-N -1 1 377.392 2.467 20 0 GEADMM CCc1nn(Cc2cc(=O)oc3cc(C)ccc23)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706220 598377883 /nfs/dbraw/zinc/37/78/83/598377883.db2.gz IRGJXCWOIZJBCE-UHFFFAOYSA-N -1 1 392.419 2.011 20 0 GEADMM CC(C)[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000735725491 598423553 /nfs/dbraw/zinc/42/35/53/598423553.db2.gz WOSRLYSPQQETCE-MRXNPFEDSA-N -1 1 398.398 2.038 20 0 GEADMM CC(C)[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000735725491 598423555 /nfs/dbraw/zinc/42/35/55/598423555.db2.gz WOSRLYSPQQETCE-MRXNPFEDSA-N -1 1 398.398 2.038 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000737189558 598466251 /nfs/dbraw/zinc/46/62/51/598466251.db2.gz OLOGIQBHNNLJGD-LLVKDONJSA-N -1 1 388.497 2.360 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2nnc(C)o2)c1-c1nn[n-]n1 ZINC000821988549 607357781 /nfs/dbraw/zinc/35/77/81/607357781.db2.gz FAELPNWZKIPXCV-ZETCQYMHSA-N -1 1 386.441 2.043 20 0 GEADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000736113080 598502254 /nfs/dbraw/zinc/50/22/54/598502254.db2.gz WPRACWFMGJTMHQ-LBPRGKRZSA-N -1 1 392.394 2.198 20 0 GEADMM C[C@@H]1CCC[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)[C@@H]1C ZINC000736262682 598503586 /nfs/dbraw/zinc/50/35/86/598503586.db2.gz PTHOKWHBMVAIBL-IOASZLSFSA-N -1 1 380.452 2.123 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1cc(F)ccc1F ZINC000737983456 598503693 /nfs/dbraw/zinc/50/36/93/598503693.db2.gz VYQUCPDJQBJXSV-UHFFFAOYSA-N -1 1 382.330 2.099 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCCc2ccccc21 ZINC000737983463 598504883 /nfs/dbraw/zinc/50/48/83/598504883.db2.gz WDTJQQXRPHYAKT-UHFFFAOYSA-N -1 1 386.415 2.161 20 0 GEADMM CCN1CCc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c(SC)[nH]c3=O)cc21 ZINC000736569855 598555819 /nfs/dbraw/zinc/55/58/19/598555819.db2.gz UXMXLBKOZLMCRX-UHFFFAOYSA-N -1 1 397.464 2.324 20 0 GEADMM Clc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCO2)nc1-c1nnn[n-]1 ZINC000737574241 598571310 /nfs/dbraw/zinc/57/13/10/598571310.db2.gz NBTUJGXEIWMQJV-CQSZACIVSA-N -1 1 385.859 2.228 20 0 GEADMM Clc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCO2)nc1-c1nn[n-]n1 ZINC000737574241 598571312 /nfs/dbraw/zinc/57/13/12/598571312.db2.gz NBTUJGXEIWMQJV-CQSZACIVSA-N -1 1 385.859 2.228 20 0 GEADMM O=C(c1cccc(F)c1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738272354 598573466 /nfs/dbraw/zinc/57/34/66/598573466.db2.gz BAPAZGSDGSHSBX-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM O=C(c1cccc(F)c1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738272354 598573467 /nfs/dbraw/zinc/57/34/67/598573467.db2.gz BAPAZGSDGSHSBX-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735707158 598578501 /nfs/dbraw/zinc/57/85/01/598578501.db2.gz GSLHKCDXLNTPIH-NSHDSACASA-N -1 1 377.880 2.292 20 0 GEADMM CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735707158 598578502 /nfs/dbraw/zinc/57/85/02/598578502.db2.gz GSLHKCDXLNTPIH-NSHDSACASA-N -1 1 377.880 2.292 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736425272 598578928 /nfs/dbraw/zinc/57/89/28/598578928.db2.gz VFIJURNLMFDGCR-NEPJUHHUSA-N -1 1 377.880 2.436 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736425272 598578930 /nfs/dbraw/zinc/57/89/30/598578930.db2.gz VFIJURNLMFDGCR-NEPJUHHUSA-N -1 1 377.880 2.436 20 0 GEADMM O=C(CSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2)N1CCC1 ZINC000737953696 598613842 /nfs/dbraw/zinc/61/38/42/598613842.db2.gz NAYFTJVNGPHTSG-UHFFFAOYSA-N -1 1 382.449 2.335 20 0 GEADMM CCOc1ccc(C(C)=O)cc1Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736637847 598641258 /nfs/dbraw/zinc/64/12/58/598641258.db2.gz ROYVWBFTXUQWLK-UHFFFAOYSA-N -1 1 396.451 2.198 20 0 GEADMM CC(C)N(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735875612 598691305 /nfs/dbraw/zinc/69/13/05/598691305.db2.gz PPNUEUWCGICYPK-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM O=C1CCCc2cc(OS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)ccc21 ZINC000738304902 598693973 /nfs/dbraw/zinc/69/39/73/598693973.db2.gz QBQGSAFRPBMPLV-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000735497511 598694336 /nfs/dbraw/zinc/69/43/36/598694336.db2.gz CAZDRPCJVKTQOH-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736274372 598719274 /nfs/dbraw/zinc/71/92/74/598719274.db2.gz UNXQDGQKOVWKPR-CJNGLKHVSA-N -1 1 380.452 2.219 20 0 GEADMM CCOc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000736646086 598719311 /nfs/dbraw/zinc/71/93/11/598719311.db2.gz DOHJXVSWGVLPLE-UHFFFAOYSA-N -1 1 390.403 2.219 20 0 GEADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1C1CC1 ZINC000737520753 598721332 /nfs/dbraw/zinc/72/13/32/598721332.db2.gz HUZFRLHATGBVAV-UHFFFAOYSA-N -1 1 382.815 2.118 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)Nc1ccccc1 ZINC000737980357 598721996 /nfs/dbraw/zinc/72/19/96/598721996.db2.gz DEODIBTZADKQKV-UHFFFAOYSA-N -1 1 380.795 2.474 20 0 GEADMM Cc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)no1 ZINC000737261841 598722421 /nfs/dbraw/zinc/72/24/21/598722421.db2.gz AOJMAYXXMXWQTF-UHFFFAOYSA-N -1 1 387.197 2.289 20 0 GEADMM Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ccc1F ZINC000737233395 598750012 /nfs/dbraw/zinc/75/00/12/598750012.db2.gz FCSNXMWDQIAOFU-UHFFFAOYSA-N -1 1 397.414 2.142 20 0 GEADMM CCS[C@H]1CCCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736668184 598751079 /nfs/dbraw/zinc/75/10/79/598751079.db2.gz YMTGTSFAJSZCHT-JTQLQIEISA-N -1 1 394.526 2.437 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)/C=C/C2CCOCC2)c1-c1nn[n-]n1 ZINC000737504396 598759497 /nfs/dbraw/zinc/75/94/97/598759497.db2.gz WUSYONBKZDAZLO-BQYQJAHWSA-N -1 1 394.435 2.387 20 0 GEADMM CCc1cc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)ncn1 ZINC000736676723 598785488 /nfs/dbraw/zinc/78/54/88/598785488.db2.gz UHERQAGMWGFPGA-SNVBAGLBSA-N -1 1 391.892 2.410 20 0 GEADMM CCc1cc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)ncn1 ZINC000736676723 598785490 /nfs/dbraw/zinc/78/54/90/598785490.db2.gz UHERQAGMWGFPGA-SNVBAGLBSA-N -1 1 391.892 2.410 20 0 GEADMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735589234 598795167 /nfs/dbraw/zinc/79/51/67/598795167.db2.gz JETCIRSXWRLHPV-LLVKDONJSA-N -1 1 377.880 2.294 20 0 GEADMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735589234 598795168 /nfs/dbraw/zinc/79/51/68/598795168.db2.gz JETCIRSXWRLHPV-LLVKDONJSA-N -1 1 377.880 2.294 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@@H]2CCC[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737552884 598800808 /nfs/dbraw/zinc/80/08/08/598800808.db2.gz RTQMGAKNOGDNBW-GXFFZTMASA-N -1 1 391.428 2.154 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1Cc1ccccc1 ZINC000823607782 599337287 /nfs/dbraw/zinc/33/72/87/599337287.db2.gz WYGXZBWIOSZWIG-AWEZNQCLSA-N -1 1 387.440 2.402 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1Cc1ccccc1 ZINC000823607782 599337288 /nfs/dbraw/zinc/33/72/88/599337288.db2.gz WYGXZBWIOSZWIG-AWEZNQCLSA-N -1 1 387.440 2.402 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ccc(F)cc21 ZINC000823600074 599341534 /nfs/dbraw/zinc/34/15/34/599341534.db2.gz CJVRRSXHCRHIFV-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820769047 599342049 /nfs/dbraw/zinc/34/20/49/599342049.db2.gz QYIYTTQVNRMRRD-JTQLQIEISA-N -1 1 391.840 2.496 20 0 GEADMM CSCC[C@@H](C)N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737177970 599383263 /nfs/dbraw/zinc/38/32/63/599383263.db2.gz WRIBYEJNAAYQNS-SNVBAGLBSA-N -1 1 378.502 2.117 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC000735975310 599415768 /nfs/dbraw/zinc/41/57/68/599415768.db2.gz KUXIKSFVJCWHHZ-OAHLLOKOSA-N -1 1 377.452 2.104 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC000735975310 599415769 /nfs/dbraw/zinc/41/57/69/599415769.db2.gz KUXIKSFVJCWHHZ-OAHLLOKOSA-N -1 1 377.452 2.104 20 0 GEADMM OCCn1ncc2c1CCC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823726889 599479195 /nfs/dbraw/zinc/47/91/95/599479195.db2.gz HYDORWNFEVLMSQ-OAHLLOKOSA-N -1 1 376.424 2.093 20 0 GEADMM OCCn1ncc2c1CCC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823726889 599479196 /nfs/dbraw/zinc/47/91/96/599479196.db2.gz HYDORWNFEVLMSQ-OAHLLOKOSA-N -1 1 376.424 2.093 20 0 GEADMM CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321439 599493124 /nfs/dbraw/zinc/49/31/24/599493124.db2.gz WXSNTKDIXDMBEU-OAHLLOKOSA-N -1 1 388.428 2.409 20 0 GEADMM CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321439 599493127 /nfs/dbraw/zinc/49/31/27/599493127.db2.gz WXSNTKDIXDMBEU-OAHLLOKOSA-N -1 1 388.428 2.409 20 0 GEADMM CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321438 599493312 /nfs/dbraw/zinc/49/33/12/599493312.db2.gz WXSNTKDIXDMBEU-HNNXBMFYSA-N -1 1 388.428 2.409 20 0 GEADMM CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321438 599493315 /nfs/dbraw/zinc/49/33/15/599493315.db2.gz WXSNTKDIXDMBEU-HNNXBMFYSA-N -1 1 388.428 2.409 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1Cc1ccccc1 ZINC000823513060 599501997 /nfs/dbraw/zinc/50/19/97/599501997.db2.gz RVMZNZKPNDWHNE-QGZVFWFLSA-N -1 1 385.431 2.050 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1Cc1ccccc1 ZINC000823513060 599502000 /nfs/dbraw/zinc/50/20/00/599502000.db2.gz RVMZNZKPNDWHNE-QGZVFWFLSA-N -1 1 385.431 2.050 20 0 GEADMM CC[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736403921 599593914 /nfs/dbraw/zinc/59/39/14/599593914.db2.gz ZFKVQLDBXRLDMY-SNVBAGLBSA-N -1 1 375.376 2.449 20 0 GEADMM Cc1ccccc1[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737421535 599595993 /nfs/dbraw/zinc/59/59/93/599595993.db2.gz KJICECUUGREDQA-UONOGXRCSA-N -1 1 384.465 2.137 20 0 GEADMM Cc1ccccc1[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737421535 599595995 /nfs/dbraw/zinc/59/59/95/599595995.db2.gz KJICECUUGREDQA-UONOGXRCSA-N -1 1 384.465 2.137 20 0 GEADMM CC[C@@H](C)OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736323004 599603974 /nfs/dbraw/zinc/60/39/74/599603974.db2.gz ACKPWYHSOVNZRG-ZCFIWIBFSA-N -1 1 377.348 2.420 20 0 GEADMM CCO[C@@H]1C[C@@H](OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000736612512 599618149 /nfs/dbraw/zinc/61/81/49/599618149.db2.gz PFVRLGVKQNUDMW-ZIAGYGMSSA-N -1 1 389.456 2.264 20 0 GEADMM O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823396927 599626581 /nfs/dbraw/zinc/62/65/81/599626581.db2.gz PCORKOAPRUIRHO-ZDUSSCGKSA-N -1 1 383.433 2.134 20 0 GEADMM O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1)OCC1CCC1 ZINC000823060712 599650803 /nfs/dbraw/zinc/65/08/03/599650803.db2.gz IMWALDNVGLXFCP-UHFFFAOYSA-N -1 1 389.359 2.422 20 0 GEADMM O=C([O-])[C@@H]1CCCCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000262254564 599709164 /nfs/dbraw/zinc/70/91/64/599709164.db2.gz DZQQGMDXMYZFNZ-KRWDZBQOSA-N -1 1 377.510 2.113 20 0 GEADMM CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000737361413 599728449 /nfs/dbraw/zinc/72/84/49/599728449.db2.gz SZTIKXHLBUAKJZ-HNNXBMFYSA-N -1 1 396.896 2.489 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)CCCN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736813991 599732732 /nfs/dbraw/zinc/73/27/32/599732732.db2.gz HCDXUCDTONFQRF-HOTGVXAUSA-N -1 1 377.485 2.302 20 0 GEADMM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738669165 599764987 /nfs/dbraw/zinc/76/49/87/599764987.db2.gz BCYMGUAWROGCKG-DZGCQCFKSA-N -1 1 376.434 2.283 20 0 GEADMM CCCC(=O)NC[C@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736952976 599784458 /nfs/dbraw/zinc/78/44/58/599784458.db2.gz YRKBAUHASBKDLV-MRXNPFEDSA-N -1 1 390.484 2.021 20 0 GEADMM CCCC(=O)NC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952997 599785705 /nfs/dbraw/zinc/78/57/05/599785705.db2.gz ZDZTYPZOSLBWMT-WBVHZDCISA-N -1 1 389.496 2.018 20 0 GEADMM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820854288 607403869 /nfs/dbraw/zinc/40/38/69/607403869.db2.gz SRUNTWQCKFRLRP-KRWDZBQOSA-N -1 1 387.831 2.288 20 0 GEADMM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820854288 607403871 /nfs/dbraw/zinc/40/38/71/607403871.db2.gz SRUNTWQCKFRLRP-KRWDZBQOSA-N -1 1 387.831 2.288 20 0 GEADMM CN(CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)[C@@H](CO)c1ccccc1 ZINC000737505097 599885719 /nfs/dbraw/zinc/88/57/19/599885719.db2.gz DROGATUNYZEBCG-AZUAARDMSA-N -1 1 395.459 2.387 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 ZINC000738278122 599905786 /nfs/dbraw/zinc/90/57/86/599905786.db2.gz WUGPSJKPEKNVHJ-UHFFFAOYSA-N -1 1 375.328 2.412 20 0 GEADMM CC(C)(NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000736339438 599927531 /nfs/dbraw/zinc/92/75/31/599927531.db2.gz JZKJSLDUBYSZKY-UHFFFAOYSA-N -1 1 394.424 2.050 20 0 GEADMM C[C@H](C(=O)NC1CC1)N1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736210518 599937597 /nfs/dbraw/zinc/93/75/97/599937597.db2.gz GHFVSZTVDZVEPH-CYBMUJFWSA-N -1 1 387.505 2.384 20 0 GEADMM C[C@H](O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000736678933 599959914 /nfs/dbraw/zinc/95/99/14/599959914.db2.gz ZKSJNJLKVPZECC-KGLIPLIRSA-N -1 1 375.494 2.395 20 0 GEADMM CC[C@H]1CN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC[N@H+]1CCOC ZINC000736943166 599960669 /nfs/dbraw/zinc/96/06/69/599960669.db2.gz IZNQNEGERVUGTC-WBVHZDCISA-N -1 1 377.485 2.063 20 0 GEADMM CC[C@H]1CN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1CCOC ZINC000736943166 599960672 /nfs/dbraw/zinc/96/06/72/599960672.db2.gz IZNQNEGERVUGTC-WBVHZDCISA-N -1 1 377.485 2.063 20 0 GEADMM CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC[N@H+]1CCOC ZINC000736943163 599960875 /nfs/dbraw/zinc/96/08/75/599960875.db2.gz IZNQNEGERVUGTC-DOTOQJQBSA-N -1 1 377.485 2.063 20 0 GEADMM CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1CCOC ZINC000736943163 599960877 /nfs/dbraw/zinc/96/08/77/599960877.db2.gz IZNQNEGERVUGTC-DOTOQJQBSA-N -1 1 377.485 2.063 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739427483 599961529 /nfs/dbraw/zinc/96/15/29/599961529.db2.gz QLOSNILMUXDMEX-UHFFFAOYSA-N -1 1 381.392 2.048 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739427483 599961531 /nfs/dbraw/zinc/96/15/31/599961531.db2.gz QLOSNILMUXDMEX-UHFFFAOYSA-N -1 1 381.392 2.048 20 0 GEADMM Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738850715 599969231 /nfs/dbraw/zinc/96/92/31/599969231.db2.gz VBMHMYJWYHVXTI-MRXNPFEDSA-N -1 1 385.468 2.252 20 0 GEADMM Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738850593 599969427 /nfs/dbraw/zinc/96/94/27/599969427.db2.gz QQFIUWPZUSZOML-RDTXWAMCSA-N -1 1 399.495 2.010 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1C(=O)[O-] ZINC000738744476 599982914 /nfs/dbraw/zinc/98/29/14/599982914.db2.gz LVGOLQHDICAYEA-UHFFFAOYSA-N -1 1 375.406 2.238 20 0 GEADMM COc1ccc([C@@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)cc1OC ZINC000737958180 600012051 /nfs/dbraw/zinc/01/20/51/600012051.db2.gz XVOKOZHLEWRCBY-AVVWSFFYSA-N -1 1 393.484 2.249 20 0 GEADMM O=C([O-])CN(Cc1ccc(Cl)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000739783849 600025033 /nfs/dbraw/zinc/02/50/33/600025033.db2.gz QZGNQTRPTWUXAU-UHFFFAOYSA-N -1 1 393.852 2.249 20 0 GEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCn1c(C)csc1=O)CC2 ZINC000737905623 600044399 /nfs/dbraw/zinc/04/43/99/600044399.db2.gz NUAUDRTWSGIALD-HNNXBMFYSA-N -1 1 392.477 2.310 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1C1CCCC1 ZINC000737688229 600054450 /nfs/dbraw/zinc/05/44/50/600054450.db2.gz KKLQPXIMHQTQPQ-UHFFFAOYSA-N -1 1 393.421 2.284 20 0 GEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000737227722 600073906 /nfs/dbraw/zinc/07/39/06/600073906.db2.gz QQTGSABSWSDRPA-UHFFFAOYSA-N -1 1 377.418 2.455 20 0 GEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000739545972 600077297 /nfs/dbraw/zinc/07/72/97/600077297.db2.gz CYLAXKRDYBEPME-ZWKOTPCHSA-N -1 1 380.448 2.063 20 0 GEADMM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cc1C ZINC000737719339 600105319 /nfs/dbraw/zinc/10/53/19/600105319.db2.gz YBPWSOMRWKZAHF-UHFFFAOYSA-N -1 1 398.462 2.408 20 0 GEADMM C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736587058 600115733 /nfs/dbraw/zinc/11/57/33/600115733.db2.gz UDKUGRKYZWFJNB-HNNXBMFYSA-N -1 1 394.541 2.152 20 0 GEADMM O=C(CNC1(C(=O)[O-])CCCCC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000739308302 600149744 /nfs/dbraw/zinc/14/97/44/600149744.db2.gz HPJUQBONZITBRM-UHFFFAOYSA-N -1 1 393.528 2.051 20 0 GEADMM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000736337965 600157958 /nfs/dbraw/zinc/15/79/58/600157958.db2.gz ZDIUJEDXVFXOPW-UHFFFAOYSA-N -1 1 397.479 2.389 20 0 GEADMM CC[C@](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)(C(=O)[O-])c1ccccc1 ZINC000736917643 600170284 /nfs/dbraw/zinc/17/02/84/600170284.db2.gz VFTKIYTXJLXECX-HXUWFJFHSA-N -1 1 397.456 2.342 20 0 GEADMM O=C([O-])[C@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Cc1ccc(O)cc1 ZINC000739398279 600179555 /nfs/dbraw/zinc/17/95/55/600179555.db2.gz 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600305825 /nfs/dbraw/zinc/30/58/25/600305825.db2.gz MSCAATWWTZNSFA-INIZCTEOSA-N -1 1 399.422 2.243 20 0 GEADMM CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737439102 600309369 /nfs/dbraw/zinc/30/93/69/600309369.db2.gz FLGATSLKWSASNJ-QGZVFWFLSA-N -1 1 378.444 2.240 20 0 GEADMM CCOc1ccc([C@@H](C)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000737194354 600309409 /nfs/dbraw/zinc/30/94/09/600309409.db2.gz CGANJLXLMLJVKV-ZBFHGGJFSA-N -1 1 390.480 2.458 20 0 GEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736217258 600309437 /nfs/dbraw/zinc/30/94/37/600309437.db2.gz AIAHNVZMMIXJCP-PBHICJAKSA-N -1 1 385.464 2.327 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736217263 600309478 /nfs/dbraw/zinc/30/94/78/600309478.db2.gz AIAHNVZMMIXJCP-WMLDXEAASA-N -1 1 385.464 2.327 20 0 GEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)CC2 ZINC000739277877 600311553 /nfs/dbraw/zinc/31/15/53/600311553.db2.gz 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/nfs/dbraw/zinc/65/08/94/600650894.db2.gz HEWCBPNBGQFJGU-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000738347233 600650895 /nfs/dbraw/zinc/65/08/95/600650895.db2.gz HEWCBPNBGQFJGU-UHFFFAOYSA-N -1 1 390.396 2.096 20 0 GEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000738475858 600659378 /nfs/dbraw/zinc/65/93/78/600659378.db2.gz HMCKOHXQSDRCCO-UHFFFAOYSA-N -1 1 398.463 2.004 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)o2)cc1C(=O)[O-] ZINC000738070003 600659436 /nfs/dbraw/zinc/65/94/36/600659436.db2.gz WJTQKDJEQFCPPS-UHFFFAOYSA-N -1 1 391.405 2.340 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c[nH]1 ZINC000392253680 600673094 /nfs/dbraw/zinc/67/30/94/600673094.db2.gz YGMUTEHUCYIWFD-UHFFFAOYSA-N -1 1 383.813 2.294 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c[nH]1 ZINC000833305918 600674965 /nfs/dbraw/zinc/67/49/65/600674965.db2.gz YFACCHQHDXNBNZ-UHFFFAOYSA-N -1 1 398.462 2.230 20 0 GEADMM CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000363134654 600675795 /nfs/dbraw/zinc/67/57/95/600675795.db2.gz JXDYLRXRMYJUHX-UHFFFAOYSA-N -1 1 388.405 2.239 20 0 GEADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000485224603 600682185 /nfs/dbraw/zinc/68/21/85/600682185.db2.gz DVYGXIMVEYYTMG-UHFFFAOYSA-N -1 1 398.780 2.282 20 0 GEADMM O=C([O-])c1sccc1S(=O)(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000833348152 600687439 /nfs/dbraw/zinc/68/74/39/600687439.db2.gz ODCFTBGAHXJDEM-UHFFFAOYSA-N -1 1 381.435 2.167 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000635503705 600701119 /nfs/dbraw/zinc/70/11/19/600701119.db2.gz YLLGAUXGFYJVRU-FUHWJXTLSA-N -1 1 375.469 2.338 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1cc(F)ccc1F ZINC000831079368 600736115 /nfs/dbraw/zinc/73/61/15/600736115.db2.gz UZIFIIJUEYAWMW-OAHLLOKOSA-N -1 1 399.371 2.164 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1cccs1 ZINC000831079217 600744254 /nfs/dbraw/zinc/74/42/54/600744254.db2.gz SRLSTFIQRTXQNT-GFCCVEGCSA-N -1 1 389.838 2.292 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)cs1 ZINC000390436712 600749364 /nfs/dbraw/zinc/74/93/64/600749364.db2.gz SMMGHXMRANUBCV-AWEZNQCLSA-N -1 1 380.491 2.389 20 0 GEADMM CN1CCC[C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000830928819 600762598 /nfs/dbraw/zinc/76/25/98/600762598.db2.gz RNZJKJJXIWVPBE-NHYWBVRUSA-N -1 1 383.495 2.136 20 0 GEADMM Cc1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)N2CCCC2)cc1 ZINC000832923091 600776703 /nfs/dbraw/zinc/77/67/03/600776703.db2.gz IOSUCQODURWLSO-SFHVURJKSA-N -1 1 391.493 2.147 20 0 GEADMM C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000382577175 600785243 /nfs/dbraw/zinc/78/52/43/600785243.db2.gz BJIKYSOOMODYDE-HNNXBMFYSA-N -1 1 391.493 2.008 20 0 GEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3CCCN(c4cnn(C)c4)C3)c12 ZINC000582668804 600817725 /nfs/dbraw/zinc/81/77/25/600817725.db2.gz LXSVEJYCDPONPP-GFCCVEGCSA-N -1 1 386.481 2.243 20 0 GEADMM C[C@H](O)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1C ZINC000827803536 600826283 /nfs/dbraw/zinc/82/62/83/600826283.db2.gz NJSABMPLQQDRCB-KGLIPLIRSA-N -1 1 375.494 2.395 20 0 GEADMM C[C@H]1CC[N@H+](CCOc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)C1 ZINC000828289898 600829158 /nfs/dbraw/zinc/82/91/58/600829158.db2.gz PIPJJIGVYXNGCO-ZDUSSCGKSA-N -1 1 393.465 2.234 20 0 GEADMM C[C@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)C1 ZINC000828289898 600829161 /nfs/dbraw/zinc/82/91/61/600829161.db2.gz PIPJJIGVYXNGCO-ZDUSSCGKSA-N -1 1 393.465 2.234 20 0 GEADMM O=C([O-])c1ccsc1NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000833162132 600870557 /nfs/dbraw/zinc/87/05/57/600870557.db2.gz IMWURTCZOVVZNH-HNNXBMFYSA-N -1 1 387.461 2.338 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2sccc2C(=O)[O-])N(C)C)cc1 ZINC000832920305 600882090 /nfs/dbraw/zinc/88/20/90/600882090.db2.gz AEIPIJIDVPCPPL-CQSZACIVSA-N -1 1 375.450 2.112 20 0 GEADMM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000833137985 600894634 /nfs/dbraw/zinc/89/46/34/600894634.db2.gz DYDVFCMGHGKRFV-AWEZNQCLSA-N -1 1 387.461 2.166 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1F ZINC000484958399 600898682 /nfs/dbraw/zinc/89/86/82/600898682.db2.gz JCLASTGWZMQOBT-UHFFFAOYSA-N -1 1 385.369 2.351 20 0 GEADMM NS(=O)(=O)C[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000833087928 601008396 /nfs/dbraw/zinc/00/83/96/601008396.db2.gz FCJZSAWMVHCXQM-RNCFNFMXSA-N -1 1 381.281 2.120 20 0 GEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(N(C)CC(F)F)CC1 ZINC000826004565 601042713 /nfs/dbraw/zinc/04/27/13/601042713.db2.gz CCORACNUNICOQH-ZDUSSCGKSA-N -1 1 383.439 2.051 20 0 GEADMM Cc1nn(C)c(=O)c(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)c1C ZINC000833012921 601054574 /nfs/dbraw/zinc/05/45/74/601054574.db2.gz KMAHRAQYZUYBNO-UHFFFAOYSA-N -1 1 378.498 2.453 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000630224424 601091032 /nfs/dbraw/zinc/09/10/32/601091032.db2.gz PEUHJUFECKNSKS-ZDUSSCGKSA-N -1 1 376.844 2.147 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)CC1 ZINC000827374287 601093300 /nfs/dbraw/zinc/09/33/00/601093300.db2.gz FZCNWPOIFKWXLF-CQSZACIVSA-N -1 1 399.447 2.074 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2OCc2ccncc2)CC1 ZINC000827380372 601094874 /nfs/dbraw/zinc/09/48/74/601094874.db2.gz SJCIFOKCUMUMMN-INIZCTEOSA-N -1 1 383.448 2.282 20 0 GEADMM CCOc1ccc(OC(C)(C)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000630224796 601099071 /nfs/dbraw/zinc/09/90/71/601099071.db2.gz PDQNJVANVDQTNT-OAHLLOKOSA-N -1 1 378.469 2.250 20 0 GEADMM CC(=O)c1cccc(OCCCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000630222274 601099970 /nfs/dbraw/zinc/09/99/70/601099970.db2.gz FWLWNSVITHKEFT-OAHLLOKOSA-N -1 1 376.453 2.056 20 0 GEADMM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1=O ZINC000833130862 601123026 /nfs/dbraw/zinc/12/30/26/601123026.db2.gz GSRRIUONZQXGKZ-LLVKDONJSA-N -1 1 380.809 2.341 20 0 GEADMM CCOc1ccc(OCC)c(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000830088645 601126398 /nfs/dbraw/zinc/12/63/98/601126398.db2.gz FQDIWDUAWOHXRT-AWEZNQCLSA-N -1 1 379.457 2.497 20 0 GEADMM COC(=O)c1cc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1Cl ZINC000831281172 601128423 /nfs/dbraw/zinc/12/84/23/601128423.db2.gz JCOOMHJCEHJTOF-LLVKDONJSA-N -1 1 383.832 2.139 20 0 GEADMM CCN(CC)C(=O)c1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829658291 601130637 /nfs/dbraw/zinc/13/06/37/601130637.db2.gz BVGDNWZYLSMDHX-HNNXBMFYSA-N -1 1 390.484 2.181 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 ZINC000827369270 601131633 /nfs/dbraw/zinc/13/16/33/601131633.db2.gz SXURSDORAZVIML-AWEZNQCLSA-N -1 1 376.457 2.416 20 0 GEADMM Cc1ccnc(-c2ccc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2)n1 ZINC000832983431 601134337 /nfs/dbraw/zinc/13/43/37/601134337.db2.gz WPVDWUBLPIEOMT-OAHLLOKOSA-N -1 1 383.452 2.465 20 0 GEADMM Cc1ccnc(-c2cccc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c2)n1 ZINC000832983151 601134485 /nfs/dbraw/zinc/13/44/85/601134485.db2.gz LEDIPVQVEFKYNS-HNNXBMFYSA-N -1 1 383.452 2.465 20 0 GEADMM O=C([O-])NCC(=O)O[C@H]1CCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1 ZINC000833279576 601143428 /nfs/dbraw/zinc/14/34/28/601143428.db2.gz JQQHPWHJETYZNO-HOTGVXAUSA-N -1 1 381.860 2.194 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000832274178 601174703 /nfs/dbraw/zinc/17/47/03/601174703.db2.gz WZPWQZBWEXJMER-FOIQADDNSA-N -1 1 376.453 2.210 20 0 GEADMM Cc1nc(C(=O)Nc2cccc(NC(=O)[O-])c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000832995107 601197608 /nfs/dbraw/zinc/19/76/08/601197608.db2.gz RWXWPRPGEDAZAU-UHFFFAOYSA-N -1 1 396.289 2.055 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)N(C)C1CC1 ZINC000184994822 601235308 /nfs/dbraw/zinc/23/53/08/601235308.db2.gz UWUKWVNZFHYRJE-MRVPVSSYSA-N -1 1 381.281 2.453 20 0 GEADMM CCN1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1 ZINC000829754199 601255802 /nfs/dbraw/zinc/25/58/02/601255802.db2.gz UYUCILVYYVLVJG-PRHODGIISA-N -1 1 381.281 2.310 20 0 GEADMM CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829464795 601258381 /nfs/dbraw/zinc/25/83/81/601258381.db2.gz POKHEDHSBBPKAT-SFHVURJKSA-N -1 1 397.541 2.014 20 0 GEADMM Cc1nn(C)c(C)c1CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000822491502 607499155 /nfs/dbraw/zinc/49/91/55/607499155.db2.gz BEXIJZNESRGTGE-UHFFFAOYSA-N -1 1 395.423 2.309 20 0 GEADMM Cc1nn(C)c(C)c1CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000822491502 607499156 /nfs/dbraw/zinc/49/91/56/607499156.db2.gz BEXIJZNESRGTGE-UHFFFAOYSA-N -1 1 395.423 2.309 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000830049682 601292789 /nfs/dbraw/zinc/29/27/89/601292789.db2.gz NEJZYVHYPWJPQL-UHFFFAOYSA-N -1 1 384.436 2.183 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000013358693 601317812 /nfs/dbraw/zinc/31/78/12/601317812.db2.gz AEGZWKZSURTMRA-UHFFFAOYSA-N -1 1 379.390 2.371 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000523901129 601330903 /nfs/dbraw/zinc/33/09/03/601330903.db2.gz KDQASLUGJUCSHZ-VWLOTQADSA-N -1 1 397.474 2.381 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(O)c1 ZINC000829881384 601331394 /nfs/dbraw/zinc/33/13/94/601331394.db2.gz HREJYHBDOZMXEZ-BJMVGYQFSA-N -1 1 391.401 2.468 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000827386241 601338622 /nfs/dbraw/zinc/33/86/22/601338622.db2.gz RDSZJJBZJQOCTO-JTQLQIEISA-N -1 1 387.408 2.186 20 0 GEADMM O=C([O-])c1cn(CC(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)nn1 ZINC000833121145 601387947 /nfs/dbraw/zinc/38/79/47/601387947.db2.gz BEAXEKHDVIUAGX-UHFFFAOYSA-N -1 1 380.339 2.297 20 0 GEADMM CO[C@@H](C)c1noc(CN2CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)n1 ZINC000831506269 601425635 /nfs/dbraw/zinc/42/56/35/601425635.db2.gz ZREFMTNANRLZMK-ZDUSSCGKSA-N -1 1 392.431 2.322 20 0 GEADMM NC(=O)C1(NCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CCCCC1 ZINC000833082774 601485551 /nfs/dbraw/zinc/48/55/51/601485551.db2.gz QSVVRPFSSIPAJR-UHFFFAOYSA-N -1 1 388.251 2.408 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)cc1 ZINC000532038008 601491935 /nfs/dbraw/zinc/49/19/35/601491935.db2.gz XXZRUBGESIQOIL-UHFFFAOYSA-N -1 1 391.380 2.276 20 0 GEADMM COc1cc(-c2noc(CN3C[C@H](C)[C@H](C(=O)[O-])C3)n2)ccc1OC(F)F ZINC000831856264 601523006 /nfs/dbraw/zinc/52/30/06/601523006.db2.gz ANDGOSJZHPNMRM-GXSJLCMTSA-N -1 1 383.351 2.499 20 0 GEADMM C[C@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C[C@H]1C(=O)[O-] ZINC000828441774 601539791 /nfs/dbraw/zinc/53/97/91/601539791.db2.gz SWMJYOSMJLAXCM-GXTWGEPZSA-N -1 1 376.844 2.176 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CN1C1CC1 ZINC000828167868 601569434 /nfs/dbraw/zinc/56/94/34/601569434.db2.gz LGJYFPBSEBILHR-MNOVXSKESA-N -1 1 393.509 2.424 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000248855499 601570327 /nfs/dbraw/zinc/57/03/27/601570327.db2.gz CZOSNPIOIMQVRI-WDEREUQCSA-N -1 1 376.425 2.062 20 0 GEADMM Cc1ccc2nc(CNS(=O)(=O)c3cc(F)c(F)c(C(=O)[O-])c3)[nH]c2c1 ZINC000832959202 601582812 /nfs/dbraw/zinc/58/28/12/601582812.db2.gz RACKVGCVDQGXHS-UHFFFAOYSA-N -1 1 381.360 2.326 20 0 GEADMM CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000828890382 601586507 /nfs/dbraw/zinc/58/65/07/601586507.db2.gz DJYYQBYOQAWPBT-KRWDZBQOSA-N -1 1 395.525 2.315 20 0 GEADMM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000825822740 601646462 /nfs/dbraw/zinc/64/64/62/601646462.db2.gz HITXFJNHXDYKLB-CQSZACIVSA-N -1 1 378.454 2.069 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827694322 601727253 /nfs/dbraw/zinc/72/72/53/601727253.db2.gz DOTNHXXRRLRIPX-JTQLQIEISA-N -1 1 385.351 2.262 20 0 GEADMM COCc1nc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cs1 ZINC000831826563 601740307 /nfs/dbraw/zinc/74/03/07/601740307.db2.gz GYWMDAKPTGQKMP-LJQANCHMSA-N -1 1 389.477 2.139 20 0 GEADMM O=Cc1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833360188 601741502 /nfs/dbraw/zinc/74/15/02/601741502.db2.gz RSIUTGVFBMUBMM-QFIPXVFZSA-N -1 1 396.443 2.114 20 0 GEADMM CCCCC[C@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000829321859 601747628 /nfs/dbraw/zinc/74/76/28/601747628.db2.gz ZRKLPOJWXCTXNS-AWEZNQCLSA-N -1 1 377.466 2.225 20 0 GEADMM CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829464603 601785501 /nfs/dbraw/zinc/78/55/01/601785501.db2.gz IZOKXSIZVJIRDX-AEFFLSMTSA-N -1 1 382.526 2.414 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000832532857 601803300 /nfs/dbraw/zinc/80/33/00/601803300.db2.gz GDWOCIGKXWCDID-WBAXXEDZSA-N -1 1 375.469 2.194 20 0 GEADMM O=C([O-])c1sccc1CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000579484898 601805646 /nfs/dbraw/zinc/80/56/46/601805646.db2.gz ZNRPJNRFXNYQRM-UHFFFAOYSA-N -1 1 386.520 2.451 20 0 GEADMM COc1ccc(Br)cc1[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826186960 607529197 /nfs/dbraw/zinc/52/91/97/607529197.db2.gz RWSGOLSNIWYGII-HSZRJFAPSA-N -1 1 394.254 2.341 20 0 GEADMM COc1ccc(Br)cc1[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826186960 607529198 /nfs/dbraw/zinc/52/91/98/607529198.db2.gz RWSGOLSNIWYGII-HSZRJFAPSA-N -1 1 394.254 2.341 20 0 GEADMM COC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000831210565 601835893 /nfs/dbraw/zinc/83/58/93/601835893.db2.gz RTVYKXFARXGWEM-UHFFFAOYSA-N -1 1 385.785 2.412 20 0 GEADMM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000830596406 601836064 /nfs/dbraw/zinc/83/60/64/601836064.db2.gz LPMOORKXFMSYIG-CQSZACIVSA-N -1 1 396.896 2.489 20 0 GEADMM Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])c2)n[nH]1 ZINC000832991881 601837049 /nfs/dbraw/zinc/83/70/49/601837049.db2.gz VDWZXKQTUVMUAN-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])ccc21 ZINC000830902382 601841280 /nfs/dbraw/zinc/84/12/80/601841280.db2.gz RICYUGWHOAZFTR-UHFFFAOYSA-N -1 1 395.824 2.143 20 0 GEADMM Cc1cnn(-c2ccc(S(=O)(=O)Nc3nc(CC(=O)[O-])cs3)cc2F)c1 ZINC000832986621 601847683 /nfs/dbraw/zinc/84/76/83/601847683.db2.gz HPQZTYDFFXFXIP-UHFFFAOYSA-N -1 1 396.425 2.204 20 0 GEADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000833295437 601848198 /nfs/dbraw/zinc/84/81/98/601848198.db2.gz WSJLQVVQBGLJBR-UHFFFAOYSA-N -1 1 379.369 2.068 20 0 GEADMM O=C([O-])N1[C@H](C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@H]2CCCC[C@@H]21 ZINC000740399880 601867360 /nfs/dbraw/zinc/86/73/60/601867360.db2.gz NUISVIRFWJOEDN-NEWSRXKRSA-N -1 1 386.496 2.473 20 0 GEADMM CN(CCN1C(=O)NC2(CCCC2)C1=O)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830781210 601906612 /nfs/dbraw/zinc/90/66/12/601906612.db2.gz PJUSPUQUIFPTHD-CQSZACIVSA-N -1 1 399.369 2.026 20 0 GEADMM COCc1ccccc1CNC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739847631 601927118 /nfs/dbraw/zinc/92/71/18/601927118.db2.gz WDZWMJIAOLGESP-RTBURBONSA-N -1 1 389.496 2.446 20 0 GEADMM COc1ccccc1CNC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739976493 601929001 /nfs/dbraw/zinc/92/90/01/601929001.db2.gz VJRVFAYNFWRENY-SJORKVTESA-N -1 1 375.469 2.308 20 0 GEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000740643174 601940451 /nfs/dbraw/zinc/94/04/51/601940451.db2.gz NSAAQOOPADAWHS-VIFPVBQESA-N -1 1 385.346 2.110 20 0 GEADMM Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832942595 601969659 /nfs/dbraw/zinc/96/96/59/601969659.db2.gz YUFNUTNKCPAJPV-MAUKXSAKSA-N -1 1 395.459 2.411 20 0 GEADMM Cc1c(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC000832855204 601969785 /nfs/dbraw/zinc/96/97/85/601969785.db2.gz NFAKJLLPMZUJTD-YOEHRIQHSA-N -1 1 395.459 2.411 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000828432546 601977553 /nfs/dbraw/zinc/97/75/53/601977553.db2.gz NTSSGEFHEKNRBH-MFKMUULPSA-N -1 1 393.509 2.281 20 0 GEADMM Cc1sc(NC(=O)COC(=O)[C@@H]2CCCc3[nH]ncc32)c(C(=O)[O-])c1C ZINC000833037291 602017427 /nfs/dbraw/zinc/01/74/27/602017427.db2.gz YDRUHBRBRZNMGD-SNVBAGLBSA-N -1 1 377.422 2.388 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000740079846 602056656 /nfs/dbraw/zinc/05/66/56/602056656.db2.gz KMAOBMOIDVBGGR-UHFFFAOYSA-N -1 1 375.473 2.011 20 0 GEADMM C[C@@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738982766 602057735 /nfs/dbraw/zinc/05/77/35/602057735.db2.gz SWTDNRMHHSKNOS-SJORKVTESA-N -1 1 396.532 2.099 20 0 GEADMM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000833100733 602058196 /nfs/dbraw/zinc/05/81/96/602058196.db2.gz LNUPWAVLCOOGMA-HUUCEWRRSA-N -1 1 386.452 2.223 20 0 GEADMM O=C([O-])NC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000740636573 602058622 /nfs/dbraw/zinc/05/86/22/602058622.db2.gz QXJPHHUGXUWFDL-HOTGVXAUSA-N -1 1 378.473 2.496 20 0 GEADMM CCC(CC)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1)N1CCOCC1 ZINC000739253645 602076115 /nfs/dbraw/zinc/07/61/15/602076115.db2.gz SFUFNUOROLSBIP-NXHRZFHOSA-N -1 1 398.548 2.201 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739640577 602105758 /nfs/dbraw/zinc/10/57/58/602105758.db2.gz HBPWLIAPEMPYCL-PBHICJAKSA-N -1 1 380.464 2.460 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737720093 602122747 /nfs/dbraw/zinc/12/27/47/602122747.db2.gz DOSRCNIAHPXOBK-KXBFYZLASA-N -1 1 395.459 2.204 20 0 GEADMM Cc1cc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cnc1Cl ZINC000832884624 602191465 /nfs/dbraw/zinc/19/14/65/602191465.db2.gz FOGNFNHDOAPUJM-UHFFFAOYSA-N -1 1 382.869 2.333 20 0 GEADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481597813 602202577 /nfs/dbraw/zinc/20/25/77/602202577.db2.gz KWQJHILSHRDSIZ-UHFFFAOYSA-N -1 1 381.406 2.140 20 0 GEADMM CCc1ccc([C@@]2(CC)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000825704947 607553047 /nfs/dbraw/zinc/55/30/47/607553047.db2.gz RESYIQDTODKNSA-HXUWFJFHSA-N -1 1 391.435 2.181 20 0 GEADMM CCc1ccc([C@@]2(CC)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000825704947 607553049 /nfs/dbraw/zinc/55/30/49/607553049.db2.gz RESYIQDTODKNSA-HXUWFJFHSA-N -1 1 391.435 2.181 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740000738 602252396 /nfs/dbraw/zinc/25/23/96/602252396.db2.gz KCJBIAXDGWLWIY-UHFFFAOYSA-N -1 1 393.396 2.490 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000739010533 602261018 /nfs/dbraw/zinc/26/10/18/602261018.db2.gz OFPFEDRWPRFPSS-JCGIZDLHSA-N -1 1 393.459 2.236 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1F ZINC000739909816 602265485 /nfs/dbraw/zinc/26/54/85/602265485.db2.gz RREXHQJFSIWFSJ-XJKSGUPXSA-N -1 1 381.448 2.303 20 0 GEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000736377336 602291868 /nfs/dbraw/zinc/29/18/68/602291868.db2.gz ZSVRDZIOWCUNFW-LBPRGKRZSA-N -1 1 396.245 2.143 20 0 GEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000736377336 602291870 /nfs/dbraw/zinc/29/18/70/602291870.db2.gz ZSVRDZIOWCUNFW-LBPRGKRZSA-N -1 1 396.245 2.143 20 0 GEADMM CN(Cc1cccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1)C(=O)[O-] ZINC000739707473 602305750 /nfs/dbraw/zinc/30/57/50/602305750.db2.gz SGCDOWKZZBCPEP-UHFFFAOYSA-N -1 1 395.419 2.431 20 0 GEADMM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000826039129 602323304 /nfs/dbraw/zinc/32/33/04/602323304.db2.gz NGIQZINBAPCTAA-PXAZEXFGSA-N -1 1 397.456 2.263 20 0 GEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCCNC(=O)[O-])CC1 ZINC000739454680 602409071 /nfs/dbraw/zinc/40/90/71/602409071.db2.gz FWDUQCMVXNUTFA-UHFFFAOYSA-N -1 1 383.880 2.261 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC(CN(C)C(=O)[O-])CC2)N(C)C)c1 ZINC000739944251 602413792 /nfs/dbraw/zinc/41/37/92/602413792.db2.gz DBDIAAUURGZKJG-SFHVURJKSA-N -1 1 392.500 2.329 20 0 GEADMM C[C@@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738916248 602416200 /nfs/dbraw/zinc/41/62/00/602416200.db2.gz LJPANZGNHAVIPE-INIZCTEOSA-N -1 1 388.512 2.465 20 0 GEADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739397079 602450832 /nfs/dbraw/zinc/45/08/32/602450832.db2.gz ICVSIQZTOCWJAA-AWEZNQCLSA-N -1 1 377.441 2.108 20 0 GEADMM O=C([O-])N1CCC[C@H](CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000740512216 602452455 /nfs/dbraw/zinc/45/24/55/602452455.db2.gz NWZYBJPNAJQLBP-MRXNPFEDSA-N -1 1 384.480 2.245 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCc2ncccc2C1 ZINC000826340808 607566157 /nfs/dbraw/zinc/56/61/57/607566157.db2.gz LTMAAMSQJXKPAY-UHFFFAOYSA-N -1 1 375.392 2.152 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCc2ncccc2C1 ZINC000826340808 607566158 /nfs/dbraw/zinc/56/61/58/607566158.db2.gz LTMAAMSQJXKPAY-UHFFFAOYSA-N -1 1 375.392 2.152 20 0 GEADMM CCCN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739350846 602547513 /nfs/dbraw/zinc/54/75/13/602547513.db2.gz OUWDEMGVUQKDHS-QZTJIDSGSA-N -1 1 393.459 2.190 20 0 GEADMM COc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(C=O)c1 ZINC000826211403 607573378 /nfs/dbraw/zinc/57/33/78/607573378.db2.gz BEZZRGHWRZNTKP-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM CC1(C)Cc2cccc(OS(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)c2O1 ZINC000824812076 607574675 /nfs/dbraw/zinc/57/46/75/607574675.db2.gz ICSHTHPEBZUQBM-UHFFFAOYSA-N -1 1 390.396 2.487 20 0 GEADMM CC1(C)Cc2cccc(OS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)c2O1 ZINC000824812076 607574677 /nfs/dbraw/zinc/57/46/77/607574677.db2.gz ICSHTHPEBZUQBM-UHFFFAOYSA-N -1 1 390.396 2.487 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739023780 602593100 /nfs/dbraw/zinc/59/31/00/602593100.db2.gz DULFXOYSCTZGSR-LLVKDONJSA-N -1 1 381.392 2.088 20 0 GEADMM CN1CCN(C(C)(C)CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000739736269 602606104 /nfs/dbraw/zinc/60/61/04/602606104.db2.gz YLTACPBJFKVNKC-UHFFFAOYSA-N -1 1 389.500 2.265 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])N1CCCC1 ZINC000739957868 602612318 /nfs/dbraw/zinc/61/23/18/602612318.db2.gz KAUHASSUMWGJLO-GOEBONIOSA-N -1 1 378.473 2.130 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824640384 607576711 /nfs/dbraw/zinc/57/67/11/607576711.db2.gz HNAYFDUDWAIVLR-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM CN(Cc1cccc(NS(=O)(=O)c2cccc3c2OCCO3)c1)C(=O)[O-] ZINC000739713551 602655122 /nfs/dbraw/zinc/65/51/22/602655122.db2.gz PEUOEOQGNCITLR-UHFFFAOYSA-N -1 1 378.406 2.368 20 0 GEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000740533736 602668921 /nfs/dbraw/zinc/66/89/21/602668921.db2.gz GYDRSBBQSVFSHP-OAHLLOKOSA-N -1 1 383.383 2.106 20 0 GEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000740533736 602668923 /nfs/dbraw/zinc/66/89/23/602668923.db2.gz GYDRSBBQSVFSHP-OAHLLOKOSA-N -1 1 383.383 2.106 20 0 GEADMM CC1(C)CN(C2(CNC(=O)N3CC[C@H](CNC(=O)[O-])C3)CCCCC2)CCO1 ZINC000739063570 602683587 /nfs/dbraw/zinc/68/35/87/602683587.db2.gz MFRYTXKNRVVIMN-MRXNPFEDSA-N -1 1 396.532 2.099 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000739009668 602690911 /nfs/dbraw/zinc/69/09/11/602690911.db2.gz WJNBATNISSVZTC-GOEBONIOSA-N -1 1 378.473 2.494 20 0 GEADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000740424922 602691504 /nfs/dbraw/zinc/69/15/04/602691504.db2.gz BFDJBQVEWDBRJE-HZPDHXFCSA-N -1 1 378.473 2.496 20 0 GEADMM O=S(=O)(NCCc1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491473 607581165 /nfs/dbraw/zinc/58/11/65/607581165.db2.gz KZWUVBCGKWARDZ-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=S(=O)(NCCc1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491473 607581166 /nfs/dbraw/zinc/58/11/66/607581166.db2.gz KZWUVBCGKWARDZ-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740081290 602695195 /nfs/dbraw/zinc/69/51/95/602695195.db2.gz WGGZESKWHGVCMA-UHFFFAOYSA-N -1 1 389.481 2.223 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000739011042 602696865 /nfs/dbraw/zinc/69/68/65/602696865.db2.gz YYEZKFPLYNIIIA-OAHLLOKOSA-N -1 1 389.500 2.124 20 0 GEADMM O=C([O-])NCCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC000740658770 602732035 /nfs/dbraw/zinc/73/20/35/602732035.db2.gz LQCXBDOFNQGPST-UHFFFAOYSA-N -1 1 383.813 2.357 20 0 GEADMM C[C@@H]1CN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC[C@H]1NC(=O)[O-] ZINC000739184246 602771069 /nfs/dbraw/zinc/77/10/69/602771069.db2.gz WJQALKLWVFEIEC-UKRRQHHQSA-N -1 1 389.477 2.327 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1F ZINC000739903186 602776115 /nfs/dbraw/zinc/77/61/15/602776115.db2.gz JOZIJHQWLFWSSM-HEHGZKQESA-N -1 1 381.448 2.159 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827228634 602783437 /nfs/dbraw/zinc/78/34/37/602783437.db2.gz QIRKWHGJDZHKDN-ZIAGYGMSSA-N -1 1 380.464 2.191 20 0 GEADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)on1 ZINC000826265952 607588699 /nfs/dbraw/zinc/58/86/99/607588699.db2.gz VCUQTCUGHHVWBP-LLVKDONJSA-N -1 1 394.844 2.342 20 0 GEADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)on1 ZINC000826265952 607588701 /nfs/dbraw/zinc/58/87/01/607588701.db2.gz VCUQTCUGHHVWBP-LLVKDONJSA-N -1 1 394.844 2.342 20 0 GEADMM CCN(CC)[C@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])c1ccccc1Cl ZINC000739405822 602835382 /nfs/dbraw/zinc/83/53/82/602835382.db2.gz DSHVHOSVYVVOOE-CVEARBPZSA-N -1 1 383.876 2.218 20 0 GEADMM CCCOc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825339195 607590040 /nfs/dbraw/zinc/59/00/40/607590040.db2.gz RBOATYPIZGXGAH-UHFFFAOYSA-N -1 1 391.428 2.273 20 0 GEADMM CCCOc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825339195 607590042 /nfs/dbraw/zinc/59/00/42/607590042.db2.gz RBOATYPIZGXGAH-UHFFFAOYSA-N -1 1 391.428 2.273 20 0 GEADMM C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739085141 602856048 /nfs/dbraw/zinc/85/60/48/602856048.db2.gz CDDJFKMKXYYBLQ-HUUCEWRRSA-N -1 1 390.484 2.113 20 0 GEADMM O=C([O-])Nc1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)c(O)c1 ZINC000740698246 602858014 /nfs/dbraw/zinc/85/80/14/602858014.db2.gz ANLRDWZVKKDSTD-UHFFFAOYSA-N -1 1 377.441 2.057 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2cccc(Cl)c21 ZINC000826495978 607591574 /nfs/dbraw/zinc/59/15/74/607591574.db2.gz HTQBMNRVYBTEQJ-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2cccc(Cl)c21 ZINC000826495978 607591576 /nfs/dbraw/zinc/59/15/76/607591576.db2.gz HTQBMNRVYBTEQJ-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000739458753 602883278 /nfs/dbraw/zinc/88/32/78/602883278.db2.gz WVHNCPLOVMIFBT-IYBDPMFKSA-N -1 1 389.500 2.433 20 0 GEADMM C[C@@H](Cc1ccsc1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824464185 607593296 /nfs/dbraw/zinc/59/32/96/607593296.db2.gz FWOWYJCVGLLXIV-VIFPVBQESA-N -1 1 383.886 2.491 20 0 GEADMM C[C@@H](Cc1ccsc1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824464185 607593297 /nfs/dbraw/zinc/59/32/97/607593297.db2.gz FWOWYJCVGLLXIV-VIFPVBQESA-N -1 1 383.886 2.491 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824641394 607593523 /nfs/dbraw/zinc/59/35/23/607593523.db2.gz VMGUBWRELVGXDV-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM O=C(OCc1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826466825 607594538 /nfs/dbraw/zinc/59/45/38/607594538.db2.gz VFRCFLRKNYNIQV-UHFFFAOYSA-N -1 1 398.448 2.023 20 0 GEADMM O=C(OCc1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826466825 607594540 /nfs/dbraw/zinc/59/45/40/607594540.db2.gz VFRCFLRKNYNIQV-UHFFFAOYSA-N -1 1 398.448 2.023 20 0 GEADMM CC(C)[C@H](CNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824110290 602923695 /nfs/dbraw/zinc/92/36/95/602923695.db2.gz HHNMCRIFUGEZBA-NZSAHSFTSA-N -1 1 390.528 2.020 20 0 GEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000740661337 602966509 /nfs/dbraw/zinc/96/65/09/602966509.db2.gz UFTXISNTZSSNHA-SNVBAGLBSA-N -1 1 390.303 2.106 20 0 GEADMM CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000825637940 607598680 /nfs/dbraw/zinc/59/86/80/607598680.db2.gz CBJXOBYPEVQEBD-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc(C=O)cc2Cl)c1-c1nn[n-]n1 ZINC000826304305 607599357 /nfs/dbraw/zinc/59/93/57/607599357.db2.gz GJXAHHPNSKCYQW-UHFFFAOYSA-N -1 1 378.797 2.409 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)NC(=O)[O-] ZINC000739958278 603000870 /nfs/dbraw/zinc/00/08/70/603000870.db2.gz LCCIDMXPXACCCD-VYDXJSESSA-N -1 1 390.484 2.272 20 0 GEADMM O=C(CSc1ncnc2sccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826421600 607599791 /nfs/dbraw/zinc/59/97/91/607599791.db2.gz PSVWKLWHMCQHEN-UHFFFAOYSA-N -1 1 385.434 2.102 20 0 GEADMM O=C(CSc1ncnc2sccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826421600 607599793 /nfs/dbraw/zinc/59/97/93/607599793.db2.gz PSVWKLWHMCQHEN-UHFFFAOYSA-N -1 1 385.434 2.102 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)cc1 ZINC000829310790 603009299 /nfs/dbraw/zinc/00/92/99/603009299.db2.gz KCMFRLARVUNHDQ-AEFFLSMTSA-N -1 1 390.484 2.274 20 0 GEADMM CCCN(C)CC(=O)Nc1cccc(C(=O)OC2CCN(C(=O)[O-])CC2)c1 ZINC000739346372 603020960 /nfs/dbraw/zinc/02/09/60/603020960.db2.gz CPYPZRVVDRXORX-UHFFFAOYSA-N -1 1 377.441 2.266 20 0 GEADMM CC1CCC(N(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C2CC2)CC1 ZINC000739083337 603046329 /nfs/dbraw/zinc/04/63/29/603046329.db2.gz CROJTQRLZGQONY-UHFFFAOYSA-N -1 1 378.473 2.051 20 0 GEADMM O=S(=O)(N[C@H]1CCCOc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487925 607604341 /nfs/dbraw/zinc/60/43/41/607604341.db2.gz DLWOOBFWLSSINT-ZDUSSCGKSA-N -1 1 389.412 2.198 20 0 GEADMM O=S(=O)(N[C@H]1CCCOc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487925 607604342 /nfs/dbraw/zinc/60/43/42/607604342.db2.gz DLWOOBFWLSSINT-ZDUSSCGKSA-N -1 1 389.412 2.198 20 0 GEADMM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000740465097 603069975 /nfs/dbraw/zinc/06/99/75/603069975.db2.gz LTDFUICDOMDTSN-XJKSGUPXSA-N -1 1 384.367 2.421 20 0 GEADMM CCN(c1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825444066 607606675 /nfs/dbraw/zinc/60/66/75/607606675.db2.gz IOGQZFOKHMNZSU-UHFFFAOYSA-N -1 1 398.370 2.496 20 0 GEADMM Cc1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000826323682 607612400 /nfs/dbraw/zinc/61/24/00/607612400.db2.gz NTVQONCHFRTVEC-SSDOTTSWSA-N -1 1 384.874 2.325 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739894768 603182939 /nfs/dbraw/zinc/18/29/39/603182939.db2.gz RAOLSAPVIXFIMQ-HZPDHXFCSA-N -1 1 379.482 2.001 20 0 GEADMM CC(C)c1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)on1 ZINC000824342305 607616116 /nfs/dbraw/zinc/61/61/16/607616116.db2.gz PKRWYZBKPCDCAV-UHFFFAOYSA-N -1 1 382.833 2.110 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827228054 603259877 /nfs/dbraw/zinc/25/98/77/603259877.db2.gz KUJJDJXHBAXKHA-JKSUJKDBSA-N -1 1 389.500 2.386 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000738824602 603268137 /nfs/dbraw/zinc/26/81/37/603268137.db2.gz KBDNYMAHKPIFJG-CVEARBPZSA-N -1 1 383.876 2.122 20 0 GEADMM CC(C)N(CCC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000738912218 603274621 /nfs/dbraw/zinc/27/46/21/603274621.db2.gz OKJPVANOODRPPG-KRWDZBQOSA-N -1 1 376.501 2.092 20 0 GEADMM O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487223 607620175 /nfs/dbraw/zinc/62/01/75/607620175.db2.gz IBASJKJDCDQWFD-OAHLLOKOSA-N -1 1 387.440 2.305 20 0 GEADMM O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487223 607620176 /nfs/dbraw/zinc/62/01/76/607620176.db2.gz IBASJKJDCDQWFD-OAHLLOKOSA-N -1 1 387.440 2.305 20 0 GEADMM CN1CCN(C)[C@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739735482 603318992 /nfs/dbraw/zinc/31/89/92/603318992.db2.gz RKMARGXVHCXZKJ-LLVKDONJSA-N -1 1 389.378 2.163 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])N1CCN(C)CC1 ZINC000738783104 603334745 /nfs/dbraw/zinc/33/47/45/603334745.db2.gz KOZRQBBIJFXRDC-SFHVURJKSA-N -1 1 391.516 2.190 20 0 GEADMM C[C@H](CC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)NC(=O)[O-] ZINC000824693659 603346867 /nfs/dbraw/zinc/34/68/67/603346867.db2.gz CMHQWBCTTOKNRV-CQSZACIVSA-N -1 1 376.457 2.486 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)N1CCN(C)CC1 ZINC000738782493 603359522 /nfs/dbraw/zinc/35/95/22/603359522.db2.gz IJSOQKVQEKLOSF-SFHVURJKSA-N -1 1 391.516 2.190 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000740141816 603415065 /nfs/dbraw/zinc/41/50/65/603415065.db2.gz RUNRNWKTXSPBQX-YCPHGPKFSA-N -1 1 376.457 2.318 20 0 GEADMM C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824707587 607630755 /nfs/dbraw/zinc/63/07/55/607630755.db2.gz TVHFLFMYLYSXNS-NSHDSACASA-N -1 1 399.904 2.224 20 0 GEADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000823771570 603470411 /nfs/dbraw/zinc/47/04/11/603470411.db2.gz FKONNKWXRBKINK-UHFFFAOYSA-N -1 1 390.484 2.133 20 0 GEADMM O=C([O-])N1CCN(C(=O)CSc2n[nH]c(=S)s2)c2ccccc2C1 ZINC000832025242 603486854 /nfs/dbraw/zinc/48/68/54/603486854.db2.gz VPLZDDNLGXYWDG-UHFFFAOYSA-N -1 1 382.492 2.446 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1 ZINC000832326433 603487162 /nfs/dbraw/zinc/48/71/62/603487162.db2.gz RERRKKCIVSILMV-OLZOCXBDSA-N -1 1 387.440 2.164 20 0 GEADMM CCN(CC1CCN(CC(=O)N(C)Cc2cccc(OC)c2)CC1)C(=O)[O-] ZINC000827093092 603502998 /nfs/dbraw/zinc/50/29/98/603502998.db2.gz LSRICJGJZUAPMJ-UHFFFAOYSA-N -1 1 377.485 2.366 20 0 GEADMM CCN(CC1CCN([C@H](C)C(=O)NCc2ccccc2OC)CC1)C(=O)[O-] ZINC000827089541 603503026 /nfs/dbraw/zinc/50/30/26/603503026.db2.gz KWDMWGPCELMQJT-OAHLLOKOSA-N -1 1 377.485 2.412 20 0 GEADMM CCN(CC1CCN([C@@H](C)C(=O)NCc2cccc(OC)c2)CC1)C(=O)[O-] ZINC000827089686 603510229 /nfs/dbraw/zinc/51/02/29/603510229.db2.gz QOGHJCBZZICENU-HNNXBMFYSA-N -1 1 377.485 2.412 20 0 GEADMM CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828114447 603533751 /nfs/dbraw/zinc/53/37/51/603533751.db2.gz ICOZFOSLCXKODO-JTQLQIEISA-N -1 1 385.346 2.204 20 0 GEADMM O=C([O-])Nc1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 ZINC000832842451 603540068 /nfs/dbraw/zinc/54/00/68/603540068.db2.gz YICZFDWWEOVWFQ-UHFFFAOYSA-N -1 1 390.465 2.246 20 0 GEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000832648084 603540924 /nfs/dbraw/zinc/54/09/24/603540924.db2.gz VXDWWCVVQQCPNG-AWEZNQCLSA-N -1 1 390.415 2.077 20 0 GEADMM O=C([O-])N[C@@H](CC(=O)NCc1n[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000832106418 603544637 /nfs/dbraw/zinc/54/46/37/603544637.db2.gz ZBVGQCZNILLZRY-MRXNPFEDSA-N -1 1 379.420 2.357 20 0 GEADMM O=C([O-])N[C@@H](CC(=O)NCc1nc(-c2ccccc2)n[nH]1)Cc1ccccc1 ZINC000832106418 603544642 /nfs/dbraw/zinc/54/46/42/603544642.db2.gz ZBVGQCZNILLZRY-MRXNPFEDSA-N -1 1 379.420 2.357 20 0 GEADMM COc1cccc(CNC(=O)CN2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000829558610 603551398 /nfs/dbraw/zinc/55/13/98/603551398.db2.gz BUOZJKLCNOKUJP-ZWKOTPCHSA-N -1 1 375.469 2.308 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)CCCCC2)CCO1 ZINC000825734180 603584177 /nfs/dbraw/zinc/58/41/77/603584177.db2.gz LBQCPVZPHNHORO-HOTGVXAUSA-N -1 1 381.517 2.353 20 0 GEADMM CC(C)C[C@@H]1CC[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232896 603592355 /nfs/dbraw/zinc/59/23/55/603592355.db2.gz USRUUMCTNCUZBI-YZVOILCLSA-N -1 1 380.489 2.060 20 0 GEADMM CC(C)C[C@@H]1CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232896 603592360 /nfs/dbraw/zinc/59/23/60/603592360.db2.gz USRUUMCTNCUZBI-YZVOILCLSA-N -1 1 380.489 2.060 20 0 GEADMM CC[C@@](C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nccs1 ZINC000825045285 607639605 /nfs/dbraw/zinc/63/96/05/607639605.db2.gz YZROZFZBAGTSJJ-CQSZACIVSA-N -1 1 382.446 2.066 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cc(NC(=O)[O-])ccc3F)[nH]c2c1 ZINC000830432931 603620382 /nfs/dbraw/zinc/62/03/82/603620382.db2.gz NNSNKDVWBAOHBK-UHFFFAOYSA-N -1 1 385.355 2.355 20 0 GEADMM O=S(=O)(NCCCc1ccc(O)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490786 607640701 /nfs/dbraw/zinc/64/07/01/607640701.db2.gz HSDKRZIUPMYLNN-UHFFFAOYSA-N -1 1 393.856 2.137 20 0 GEADMM O=S(=O)(NCCCc1ccc(O)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490786 607640702 /nfs/dbraw/zinc/64/07/02/607640702.db2.gz HSDKRZIUPMYLNN-UHFFFAOYSA-N -1 1 393.856 2.137 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823714586 603630289 /nfs/dbraw/zinc/63/02/89/603630289.db2.gz PTUFVMRKSXPDFT-ZDUSSCGKSA-N -1 1 379.457 2.401 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000825194717 603719491 /nfs/dbraw/zinc/71/94/91/603719491.db2.gz QFLLDHCLEWSBBQ-VQIMIIECSA-N -1 1 388.512 2.085 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488047 607647845 /nfs/dbraw/zinc/64/78/45/607647845.db2.gz HGDUUFFDVWHWLV-JSGCOSHPSA-N -1 1 389.868 2.430 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488047 607647847 /nfs/dbraw/zinc/64/78/47/607647847.db2.gz HGDUUFFDVWHWLV-JSGCOSHPSA-N -1 1 389.868 2.430 20 0 GEADMM COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@@H]3CCCN(C(=O)[O-])C3)C2=O)c1 ZINC000829211233 603731335 /nfs/dbraw/zinc/73/13/35/603731335.db2.gz OSGSZBVVEBDSPP-KBXCAEBGSA-N -1 1 391.468 2.131 20 0 GEADMM Cc1ccc(CC[C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000826287133 607650648 /nfs/dbraw/zinc/65/06/48/607650648.db2.gz DPYQJOGNQVPPGB-SNVBAGLBSA-N -1 1 379.417 2.207 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829591110 603815168 /nfs/dbraw/zinc/81/51/68/603815168.db2.gz BAZMTCKVVWWFAG-KXBFYZLASA-N -1 1 379.432 2.040 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@]3(F)CCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000826059640 603839215 /nfs/dbraw/zinc/83/92/15/603839215.db2.gz XYVCPVLMYRCQRB-SXGZJXTBSA-N -1 1 393.459 2.004 20 0 GEADMM COc1cccc([C@@H](CNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829543597 603865321 /nfs/dbraw/zinc/86/53/21/603865321.db2.gz NHFMBNCEJHVUND-XLIONFOSSA-N -1 1 375.469 2.338 20 0 GEADMM CCSCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825675173 607656417 /nfs/dbraw/zinc/65/64/17/607656417.db2.gz YRTKREWBJIFGTJ-VIFPVBQESA-N -1 1 375.907 2.330 20 0 GEADMM CCSCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825675173 607656419 /nfs/dbraw/zinc/65/64/19/607656419.db2.gz YRTKREWBJIFGTJ-VIFPVBQESA-N -1 1 375.907 2.330 20 0 GEADMM O=C([O-])N1CC[C@](F)(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000831889070 603872992 /nfs/dbraw/zinc/87/29/92/603872992.db2.gz QVXZUBZJCBBQAR-LJQANCHMSA-N -1 1 387.415 2.270 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)NCC(C)(C)NC(=O)[O-])N1CCCC1 ZINC000829597031 603888185 /nfs/dbraw/zinc/88/81/85/603888185.db2.gz DLFVLUKAILRLNK-HNNXBMFYSA-N -1 1 378.473 2.178 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000824640323 607659025 /nfs/dbraw/zinc/65/90/25/607659025.db2.gz GISPJOBYCKHYFJ-VXGBXAGGSA-N -1 1 375.429 2.476 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000824640323 607659027 /nfs/dbraw/zinc/65/90/27/607659027.db2.gz GISPJOBYCKHYFJ-VXGBXAGGSA-N -1 1 375.429 2.476 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)n1 ZINC000832729670 603913261 /nfs/dbraw/zinc/91/32/61/603913261.db2.gz IJJLXYSMUUNARQ-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)n[nH]1 ZINC000832729670 603913266 /nfs/dbraw/zinc/91/32/66/603913266.db2.gz IJJLXYSMUUNARQ-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@H]1c1nccs1 ZINC000826495575 607660354 /nfs/dbraw/zinc/66/03/54/607660354.db2.gz UJJXQLDMVNOVPC-LBPRGKRZSA-N -1 1 394.457 2.378 20 0 GEADMM Cc1nn(C)c(=O)c(-c2nc(CN[C@](C)(CNC(=O)[O-])C(C)C)cs2)c1C ZINC000830845038 603964400 /nfs/dbraw/zinc/96/44/00/603964400.db2.gz BYLLDLIILGGNKT-GOSISDBHSA-N -1 1 393.513 2.293 20 0 GEADMM Cc1cnc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826318138 607664845 /nfs/dbraw/zinc/66/48/45/607664845.db2.gz WWOPUYWHOGCMKM-QMMMGPOBSA-N -1 1 384.874 2.325 20 0 GEADMM Cc1cnc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826318138 607664847 /nfs/dbraw/zinc/66/48/47/607664847.db2.gz WWOPUYWHOGCMKM-QMMMGPOBSA-N -1 1 384.874 2.325 20 0 GEADMM CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000828266011 604043920 /nfs/dbraw/zinc/04/39/20/604043920.db2.gz AYROJTKQJPYKDS-PCCBWWKXSA-N -1 1 384.476 2.472 20 0 GEADMM CCOc1cc(C)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825616159 607668811 /nfs/dbraw/zinc/66/88/11/607668811.db2.gz YHDFLSLNANIUPB-UHFFFAOYSA-N -1 1 391.428 2.191 20 0 GEADMM CCOc1cc(C)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825616159 607668813 /nfs/dbraw/zinc/66/88/13/607668813.db2.gz YHDFLSLNANIUPB-UHFFFAOYSA-N -1 1 391.428 2.191 20 0 GEADMM O=S(=O)(NC[C@@H]1CCCS1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489912 607669769 /nfs/dbraw/zinc/66/97/69/607669769.db2.gz DCJFMKOAUUGZFA-VIFPVBQESA-N -1 1 393.416 2.059 20 0 GEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000829833304 604077424 /nfs/dbraw/zinc/07/74/24/604077424.db2.gz HSYUEPPTDFUCGD-UHFFFAOYSA-N -1 1 378.351 2.016 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C1 ZINC000825229664 604150228 /nfs/dbraw/zinc/15/02/28/604150228.db2.gz SXBDPQXYQWLLTD-HIFRSBDPSA-N -1 1 380.464 2.465 20 0 GEADMM C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])N1CCc2ccccc2C1 ZINC000824931257 604162552 /nfs/dbraw/zinc/16/25/52/604162552.db2.gz VKFIWXICPCLOJS-LZQZEXGQSA-N -1 1 386.496 2.360 20 0 GEADMM Cc1cc(CC(=O)Nc2cccc(C(=O)OC3CCN(C(=O)[O-])CC3)c2)n[nH]1 ZINC000830028774 604185607 /nfs/dbraw/zinc/18/56/07/604185607.db2.gz CDLALIUQBCMCIR-UHFFFAOYSA-N -1 1 386.408 2.199 20 0 GEADMM Cc1cc(CC(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)[O-])n[nH]1 ZINC000830029216 604190877 /nfs/dbraw/zinc/19/08/77/604190877.db2.gz FVBLVIUXXHCMIF-CQSZACIVSA-N -1 1 386.408 2.199 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000827418600 604203056 /nfs/dbraw/zinc/20/30/56/604203056.db2.gz QDPKDPZFYJCAFA-AWEZNQCLSA-N -1 1 378.473 2.022 20 0 GEADMM CCC(CC)[C@@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)OC ZINC000825096354 607679370 /nfs/dbraw/zinc/67/93/70/607679370.db2.gz MMCRHBQXONVQLC-CQSZACIVSA-N -1 1 385.465 2.125 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCCN(C)Cc2ccc(F)cc2)C1 ZINC000825229251 604271660 /nfs/dbraw/zinc/27/16/60/604271660.db2.gz PMQFTEDBVVWGIW-ZBFHGGJFSA-N -1 1 380.464 2.335 20 0 GEADMM C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824686589 604296454 /nfs/dbraw/zinc/29/64/54/604296454.db2.gz RBEVECZXUYAVGT-CVEARBPZSA-N -1 1 389.500 2.188 20 0 GEADMM C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685668 604309807 /nfs/dbraw/zinc/30/98/07/604309807.db2.gz OPYCCOFZUZXYKE-CVEARBPZSA-N -1 1 389.500 2.188 20 0 GEADMM CN1CCCC[C@@H]1C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000830940263 604344342 /nfs/dbraw/zinc/34/43/42/604344342.db2.gz DXUCFDGZONZZMZ-SJORKVTESA-N -1 1 379.888 2.094 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3ccc([C@@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000827621725 604346509 /nfs/dbraw/zinc/34/65/09/604346509.db2.gz VISYGFMHEVUGEW-BXUZGUMPSA-N -1 1 388.428 2.301 20 0 GEADMM C[C@H]1CCCN1C(=O)CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000828272000 604358022 /nfs/dbraw/zinc/35/80/22/604358022.db2.gz SHZHOMSIKNATMY-KXBFYZLASA-N -1 1 393.915 2.484 20 0 GEADMM NC(=O)c1csc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)n1 ZINC000444256297 649943494 /nfs/dbraw/zinc/94/34/94/649943494.db2.gz KCFAEBIPNGUYCA-UHFFFAOYSA-N -1 1 393.222 2.098 20 0 GEADMM O=C([O-])c1c2c(sc1NC(=O)C(=O)N[C@H]1CCCc3cn[nH]c31)CCCC2 ZINC000833162362 604423689 /nfs/dbraw/zinc/42/36/89/604423689.db2.gz KZRCNOIJSMUCFL-NSHDSACASA-N -1 1 388.449 2.181 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824257797 604440060 /nfs/dbraw/zinc/44/00/60/604440060.db2.gz VPMWMKCMCKCESM-MAUKXSAKSA-N -1 1 392.500 2.171 20 0 GEADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000832040231 604472878 /nfs/dbraw/zinc/47/28/78/604472878.db2.gz AWYYALBXAXSRPN-WMLDXEAASA-N -1 1 378.469 2.456 20 0 GEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000832040360 604500355 /nfs/dbraw/zinc/50/03/55/604500355.db2.gz DSOLUTZNUPJPGE-GJZGRUSLSA-N -1 1 377.359 2.465 20 0 GEADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833610641 604618825 /nfs/dbraw/zinc/61/88/25/604618825.db2.gz FWVCQZKXMMOKQH-ZWCUEREDSA-N -1 1 387.524 2.390 20 0 GEADMM Cc1nc([C@H]2CCCN(C(=O)[C@H](NC(=O)[O-])c3cccc(Cl)c3)C2)n[nH]1 ZINC000830732787 604644478 /nfs/dbraw/zinc/64/44/78/604644478.db2.gz DDWAHVQACXAXEH-GXTWGEPZSA-N -1 1 377.832 2.481 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3CC(=O)[O-])c2C1 ZINC000826681380 604655051 /nfs/dbraw/zinc/65/50/51/604655051.db2.gz PGFKJISQISRYMH-ZBFHGGJFSA-N -1 1 387.480 2.451 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3CC(=O)[O-])c2C1 ZINC000826681374 604655094 /nfs/dbraw/zinc/65/50/94/604655094.db2.gz PGFKJISQISRYMH-GOEBONIOSA-N -1 1 387.480 2.451 20 0 GEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)n[nH]1 ZINC000832908420 604673185 /nfs/dbraw/zinc/67/31/85/604673185.db2.gz KFPADNDXIIEHKN-HNNXBMFYSA-N -1 1 383.452 2.214 20 0 GEADMM CCOC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833658850 604688259 /nfs/dbraw/zinc/68/82/59/604688259.db2.gz LJSJOEIAWQMOJW-UHFFFAOYSA-N -1 1 379.394 2.173 20 0 GEADMM CC(C)(C)OC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833433916 604689409 /nfs/dbraw/zinc/68/94/09/604689409.db2.gz FIDHTQNMEWLECQ-UHFFFAOYSA-N -1 1 392.433 2.465 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCN1Cc1ccccc1 ZINC000833596606 604698058 /nfs/dbraw/zinc/69/80/58/604698058.db2.gz FQGFFWPWGKBDMS-ZBFHGGJFSA-N -1 1 389.477 2.111 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCO1 ZINC000825324689 604702966 /nfs/dbraw/zinc/70/29/66/604702966.db2.gz DCCCTCRKMGVJPG-BMIGLBTASA-N -1 1 378.816 2.227 20 0 GEADMM COC(=O)c1c(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)sc2c1CCC2 ZINC000831230467 604740630 /nfs/dbraw/zinc/74/06/30/604740630.db2.gz COTRMXJWECYDDK-JTQLQIEISA-N -1 1 380.466 2.147 20 0 GEADMM C[C@H](CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CC1)C(=O)[O-] ZINC000827450184 604746692 /nfs/dbraw/zinc/74/66/92/604746692.db2.gz SQHKQNIMQVWVSZ-CQSZACIVSA-N -1 1 387.480 2.483 20 0 GEADMM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(C2CCOCC2)n1 ZINC000832899459 604800764 /nfs/dbraw/zinc/80/07/64/604800764.db2.gz LQNKNOOGHVETSN-UHFFFAOYSA-N -1 1 379.438 2.350 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cc(-c2ccco2)on1 ZINC000826294868 607716515 /nfs/dbraw/zinc/71/65/15/607716515.db2.gz HAPLHXCWLWYYQU-UHFFFAOYSA-N -1 1 375.348 2.181 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cc2c(c(Cl)c1)OCO2 ZINC000826294867 607716753 /nfs/dbraw/zinc/71/67/53/607716753.db2.gz HAMJVVLJUTYCDL-UHFFFAOYSA-N -1 1 396.794 2.315 20 0 GEADMM COc1ccnc(N2CCN(C(=O)C[C@@H](C)C3CCN(C(=O)[O-])CC3)CC2)c1 ZINC000829651461 604837335 /nfs/dbraw/zinc/83/73/35/604837335.db2.gz ZOOKDRGHGDKWHV-OAHLLOKOSA-N -1 1 390.484 2.155 20 0 GEADMM Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)n[nH]1 ZINC000832883699 604873878 /nfs/dbraw/zinc/87/38/78/604873878.db2.gz OUNTVDREHBXNRW-SECBINFHSA-N -1 1 390.465 2.043 20 0 GEADMM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000833466677 604899102 /nfs/dbraw/zinc/89/91/02/604899102.db2.gz JVPSSAGPHYEFGG-AWEZNQCLSA-N -1 1 378.816 2.083 20 0 GEADMM CC(C)Cn1ncc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C(F)F ZINC000833493290 604918724 /nfs/dbraw/zinc/91/87/24/604918724.db2.gz IAGWEODZDOQRBM-GFCCVEGCSA-N -1 1 387.431 2.489 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000827368327 604930384 /nfs/dbraw/zinc/93/03/84/604930384.db2.gz BAUNLFRLXLFRDZ-NSHDSACASA-N -1 1 387.249 2.138 20 0 GEADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833516467 604962730 /nfs/dbraw/zinc/96/27/30/604962730.db2.gz XIYROVIRIUHLIU-QFIXIFRTSA-N -1 1 394.471 2.349 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000771909373 605009944 /nfs/dbraw/zinc/00/99/44/605009944.db2.gz QDQWGXDLVLAIKR-GFCCVEGCSA-N -1 1 394.836 2.443 20 0 GEADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])n[nH]1 ZINC000833512925 605023562 /nfs/dbraw/zinc/02/35/62/605023562.db2.gz WHZLBAICSAODRO-MRVPVSSYSA-N -1 1 391.453 2.381 20 0 GEADMM CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000833658385 605041710 /nfs/dbraw/zinc/04/17/10/605041710.db2.gz SEHYYZXNGFGSFD-JOYOIKCWSA-N -1 1 380.388 2.022 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833624910 605047201 /nfs/dbraw/zinc/04/72/01/605047201.db2.gz MCIKAFQFIIURKO-RNCFNFMXSA-N -1 1 392.399 2.165 20 0 GEADMM CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000327255669 605052448 /nfs/dbraw/zinc/05/24/48/605052448.db2.gz AQFREMZHPZHKLD-UHFFFAOYSA-N -1 1 383.447 2.288 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000833626287 605058418 /nfs/dbraw/zinc/05/84/18/605058418.db2.gz POPPKKMQRNROBI-CYBMUJFWSA-N -1 1 382.530 2.174 20 0 GEADMM CC(C)COc1cccc(OCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833490434 605114323 /nfs/dbraw/zinc/11/43/23/605114323.db2.gz ICKJEYHHXFKHHG-MRXNPFEDSA-N -1 1 378.469 2.108 20 0 GEADMM COC(=O)c1cc(NC(=O)CNC2(c3ccc(OC)cc3)CC2)cc(C(=O)[O-])c1 ZINC000833715603 605138014 /nfs/dbraw/zinc/13/80/14/605138014.db2.gz WHQJYELCWYXJCU-UHFFFAOYSA-N -1 1 398.415 2.397 20 0 GEADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000833702753 605145596 /nfs/dbraw/zinc/14/55/96/605145596.db2.gz ZGUBDFJIINARRD-CVEARBPZSA-N -1 1 384.436 2.474 20 0 GEADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833702753 605145598 /nfs/dbraw/zinc/14/55/98/605145598.db2.gz ZGUBDFJIINARRD-CVEARBPZSA-N -1 1 384.436 2.474 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000833625341 605166227 /nfs/dbraw/zinc/16/62/27/605166227.db2.gz LDEQCOWIAZGXQB-OAHLLOKOSA-N -1 1 389.496 2.084 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1-c1ccccc1Cl ZINC000630218726 605181279 /nfs/dbraw/zinc/18/12/79/605181279.db2.gz FFPACWGCQYAOAF-CYBMUJFWSA-N -1 1 390.871 2.455 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)OC[C@@H]3CCN(C(=O)[O-])C3)n2)cc1 ZINC000830160082 605199785 /nfs/dbraw/zinc/19/97/85/605199785.db2.gz MSCUPGJEPHJUIV-GFCCVEGCSA-N -1 1 376.438 2.415 20 0 GEADMM C[C@H]1CN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCN1CCC(=O)[O-] ZINC000833623814 605259043 /nfs/dbraw/zinc/25/90/43/605259043.db2.gz RDYRXMLTNMGWKS-ZDUSSCGKSA-N -1 1 384.436 2.235 20 0 GEADMM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@H](C)c2cncc(F)c2)cc(C(=O)[O-])c1 ZINC000833713086 605271294 /nfs/dbraw/zinc/27/12/94/605271294.db2.gz NACBVAXVRQPGOU-GHMZBOCLSA-N -1 1 389.383 2.383 20 0 GEADMM CC(C)OC1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824309430 607745393 /nfs/dbraw/zinc/74/53/93/607745393.db2.gz OEWDOOYEZJPWRX-UHFFFAOYSA-N -1 1 383.449 2.020 20 0 GEADMM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)Nc1cccc(CN2CCSCC2)c1 ZINC000831524408 605284317 /nfs/dbraw/zinc/28/43/17/605284317.db2.gz RSDWUZZYOVLBED-KRWDZBQOSA-N -1 1 393.509 2.333 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000830257946 605288847 /nfs/dbraw/zinc/28/88/47/605288847.db2.gz XWVUTWSDOLEIDT-JKSUJKDBSA-N -1 1 379.457 2.000 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C[C@H]1CCCCC1(C)C ZINC000824999781 607750437 /nfs/dbraw/zinc/75/04/37/607750437.db2.gz JNOWAJQQINEYTO-LSDHHAIUSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C[C@H]1CCCCC1(C)C ZINC000824999781 607750438 /nfs/dbraw/zinc/75/04/38/607750438.db2.gz JNOWAJQQINEYTO-LSDHHAIUSA-N -1 1 398.515 2.300 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)N(C)C)c1 ZINC000829543479 605372649 /nfs/dbraw/zinc/37/26/49/605372649.db2.gz LEYJEVAANVQXJF-FUHWJXTLSA-N -1 1 390.484 2.224 20 0 GEADMM CN(C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000827993819 605381825 /nfs/dbraw/zinc/38/18/25/605381825.db2.gz GJEPJEJGBSFNQN-IRXDYDNUSA-N -1 1 378.448 2.355 20 0 GEADMM O=C([O-])N1CCC[C@H]1CCC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000833996585 605409249 /nfs/dbraw/zinc/40/92/49/605409249.db2.gz RLNAPLNJHQDGCZ-IBGZPJMESA-N -1 1 388.512 2.238 20 0 GEADMM Cc1cc(C)c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c(=O)[nH]1 ZINC000829985767 605437693 /nfs/dbraw/zinc/43/76/93/605437693.db2.gz BFFHTIOJRAVVKB-UHFFFAOYSA-N -1 1 382.380 2.209 20 0 GEADMM Cc1cc(C)c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c(=O)[nH]1 ZINC000829985767 605437698 /nfs/dbraw/zinc/43/76/98/605437698.db2.gz BFFHTIOJRAVVKB-UHFFFAOYSA-N -1 1 382.380 2.209 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=Cc3cncc(F)c3)cc2)n1 ZINC000832729508 605439452 /nfs/dbraw/zinc/43/94/52/605439452.db2.gz FDSTVSQTHFQGKL-LZCJLJQNSA-N -1 1 382.355 2.425 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C=Cc3cncc(F)c3)cc2)n[nH]1 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O=C([O-])N[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000834159605 605795703 /nfs/dbraw/zinc/79/57/03/605795703.db2.gz QPZUDTNZYWCHHW-DLBZAZTESA-N -1 1 375.450 2.008 20 0 GEADMM CCOc1cc(-c2noc(CCSc3nnnn3C)n2)cc(Cl)c1[O-] ZINC000445412256 649961565 /nfs/dbraw/zinc/96/15/65/649961565.db2.gz NZVQQICCFKQCHH-UHFFFAOYSA-N -1 1 382.833 2.353 20 0 GEADMM O=C([O-])NCC1(C(=O)N2CCC(CCCN3CCOCC3)CC2)CCCC1 ZINC000834208242 605812715 /nfs/dbraw/zinc/81/27/15/605812715.db2.gz ZAVYZOPTPMGKPG-UHFFFAOYSA-N -1 1 381.517 2.165 20 0 GEADMM O=C([O-])Nc1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)c(O)c1 ZINC000834258280 605818206 /nfs/dbraw/zinc/81/82/06/605818206.db2.gz NZYKONRSFFGJBK-UHFFFAOYSA-N -1 1 391.468 2.447 20 0 GEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833794803 605821275 /nfs/dbraw/zinc/82/12/75/605821275.db2.gz NNYYZBOWAFZIST-KBPBESRZSA-N -1 1 378.477 2.253 20 0 GEADMM O=C([O-])N1CCC[C@H](CCNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834098962 605822642 /nfs/dbraw/zinc/82/26/42/605822642.db2.gz MKAGGCHOSSJMSG-HIFRSBDPSA-N -1 1 390.488 2.351 20 0 GEADMM C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833788754 605892272 /nfs/dbraw/zinc/89/22/72/605892272.db2.gz CQRWPHQAOBSTNA-GFCCVEGCSA-N -1 1 387.440 2.061 20 0 GEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCCCOc3ccccc3F)C2)CC1 ZINC000834007192 605893436 /nfs/dbraw/zinc/89/34/36/605893436.db2.gz IPELEIRIZUMILV-UHFFFAOYSA-N -1 1 393.459 2.177 20 0 GEADMM O=C([O-])N[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000740595852 605936495 /nfs/dbraw/zinc/93/64/95/605936495.db2.gz WLJKAEOAHGOZLK-WDEREUQCSA-N -1 1 393.665 2.184 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820227490 605937467 /nfs/dbraw/zinc/93/74/67/605937467.db2.gz HGVASLJMZOCPKQ-ZBFHGGJFSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000820227490 605937469 /nfs/dbraw/zinc/93/74/69/605937469.db2.gz HGVASLJMZOCPKQ-ZBFHGGJFSA-N -1 1 381.432 2.103 20 0 GEADMM O=C([O-])N1CCC2(CCN(C(=O)c3ccc4c(=O)[nH]c(=S)[nH]c4c3)C2)CC1 ZINC000834091317 605938666 /nfs/dbraw/zinc/93/86/66/605938666.db2.gz OENODTKEWKUPNT-UHFFFAOYSA-N -1 1 388.449 2.230 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H]1CSC(=O)N1 ZINC000823541861 606024188 /nfs/dbraw/zinc/02/41/88/606024188.db2.gz SYHLZCPOZDUAAR-NSHDSACASA-N -1 1 386.462 2.036 20 0 GEADMM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000833828621 606038558 /nfs/dbraw/zinc/03/85/58/606038558.db2.gz PFOXIRYIVZVMQX-HUUCEWRRSA-N -1 1 388.468 2.215 20 0 GEADMM Cc1cc(S(=O)(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)ccc1F ZINC000833901336 606078256 /nfs/dbraw/zinc/07/82/56/606078256.db2.gz OBEUCYVYOBAHJW-GFCCVEGCSA-N -1 1 379.413 2.455 20 0 GEADMM O=C([O-])N[C@H]1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)COC4)cc2C1 ZINC000834195040 606079955 /nfs/dbraw/zinc/07/99/55/606079955.db2.gz VXOUTRITZJJUGO-AWEZNQCLSA-N -1 1 389.433 2.038 20 0 GEADMM COC(=O)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc1C(C)(C)C ZINC000821671491 606108342 /nfs/dbraw/zinc/10/83/42/606108342.db2.gz YAJXOEIPQFWYHG-UHFFFAOYSA-N -1 1 387.425 2.055 20 0 GEADMM COC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc1C(C)(C)C ZINC000821671491 606108344 /nfs/dbraw/zinc/10/83/44/606108344.db2.gz YAJXOEIPQFWYHG-UHFFFAOYSA-N -1 1 387.425 2.055 20 0 GEADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821457567 606128149 /nfs/dbraw/zinc/12/81/49/606128149.db2.gz XGSZCPANVJTPGX-NWDGAFQWSA-N -1 1 394.526 2.483 20 0 GEADMM Cc1nc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)sc1C ZINC000822449938 606136323 /nfs/dbraw/zinc/13/63/23/606136323.db2.gz VWJCDNBPQUGXFL-SSDOTTSWSA-N -1 1 378.439 2.186 20 0 GEADMM Cc1nc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)sc1C ZINC000822449938 606136325 /nfs/dbraw/zinc/13/63/25/606136325.db2.gz VWJCDNBPQUGXFL-SSDOTTSWSA-N -1 1 378.439 2.186 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933508 606137286 /nfs/dbraw/zinc/13/72/86/606137286.db2.gz UJLXTOGRJCNOLT-JTQLQIEISA-N -1 1 379.442 2.342 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933508 606137287 /nfs/dbraw/zinc/13/72/87/606137287.db2.gz UJLXTOGRJCNOLT-JTQLQIEISA-N -1 1 379.442 2.342 20 0 GEADMM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819844855 606139085 /nfs/dbraw/zinc/13/90/85/606139085.db2.gz MTCIXOPGTHCKIJ-SNVBAGLBSA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819844855 606139086 /nfs/dbraw/zinc/13/90/86/606139086.db2.gz MTCIXOPGTHCKIJ-SNVBAGLBSA-N -1 1 385.405 2.315 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@]2(CCCOC2)C1 ZINC000823606902 606147258 /nfs/dbraw/zinc/14/72/58/606147258.db2.gz PDJCHQPKEGMUSB-INIZCTEOSA-N -1 1 397.888 2.101 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@]2(CCCOC2)C1 ZINC000823606902 606147260 /nfs/dbraw/zinc/14/72/60/606147260.db2.gz PDJCHQPKEGMUSB-INIZCTEOSA-N -1 1 397.888 2.101 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000822608291 606159968 /nfs/dbraw/zinc/15/99/68/606159968.db2.gz CNJLLKRSYWGMCQ-UHFFFAOYSA-N -1 1 384.419 2.226 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(Cc3ccc(F)cc3)CC2)n1 ZINC000822608291 606159970 /nfs/dbraw/zinc/15/99/70/606159970.db2.gz CNJLLKRSYWGMCQ-UHFFFAOYSA-N -1 1 384.419 2.226 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000820380167 606165297 /nfs/dbraw/zinc/16/52/97/606165297.db2.gz MJFVTCUCVVKSAJ-QMMMGPOBSA-N -1 1 378.343 2.084 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000820380167 606165298 /nfs/dbraw/zinc/16/52/98/606165298.db2.gz MJFVTCUCVVKSAJ-QMMMGPOBSA-N -1 1 378.343 2.084 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361455 606172891 /nfs/dbraw/zinc/17/28/91/606172891.db2.gz UYKUQJCFUNCNTJ-UONOGXRCSA-N -1 1 388.476 2.192 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361455 606172893 /nfs/dbraw/zinc/17/28/93/606172893.db2.gz UYKUQJCFUNCNTJ-UONOGXRCSA-N -1 1 388.476 2.192 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(OC[C@H]2CCCO2)c1 ZINC000823294862 606195682 /nfs/dbraw/zinc/19/56/82/606195682.db2.gz VEOVTIVIEASHKN-OAHLLOKOSA-N -1 1 381.392 2.382 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933621 606292605 /nfs/dbraw/zinc/29/26/05/606292605.db2.gz XOMCDAZGEKWZBQ-VXGBXAGGSA-N -1 1 388.428 2.204 20 0 GEADMM O=C(COCc1nc2ccccc2s1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823032128 606293423 /nfs/dbraw/zinc/29/34/23/606293423.db2.gz NWZGQSABIAHJJK-UHFFFAOYSA-N -1 1 382.405 2.337 20 0 GEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822014872 606333438 /nfs/dbraw/zinc/33/34/38/606333438.db2.gz ANXPKERLFSIMLJ-UHFFFAOYSA-N -1 1 398.404 2.458 20 0 GEADMM COc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1OC ZINC000821782821 606392283 /nfs/dbraw/zinc/39/22/83/606392283.db2.gz OXZKONSKIOISSA-DHZHZOJOSA-N -1 1 383.389 2.290 20 0 GEADMM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821319146 606393173 /nfs/dbraw/zinc/39/31/73/606393173.db2.gz AVONPIHZJOHAQI-CQSZACIVSA-N -1 1 390.469 2.488 20 0 GEADMM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1 ZINC000820642838 606394928 /nfs/dbraw/zinc/39/49/28/606394928.db2.gz LZXQFDFLROJQCV-OAHLLOKOSA-N -1 1 396.432 2.300 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(CC1CCC1)CC(F)(F)F ZINC000823600616 606435927 /nfs/dbraw/zinc/43/59/27/606435927.db2.gz JADOIVYHMHOJIS-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM O=C(Cc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1)N1CCOCC1 ZINC000823082269 606454650 /nfs/dbraw/zinc/45/46/50/606454650.db2.gz FRSHWJFBDMITBU-UHFFFAOYSA-N -1 1 399.842 2.060 20 0 GEADMM O=C(Cc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1)N1CCOCC1 ZINC000823082269 606454652 /nfs/dbraw/zinc/45/46/52/606454652.db2.gz FRSHWJFBDMITBU-UHFFFAOYSA-N -1 1 399.842 2.060 20 0 GEADMM Cc1ncc(CN2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)s1 ZINC000822471867 606464845 /nfs/dbraw/zinc/46/48/45/606464845.db2.gz LNLHUYIIQXOQAN-UHFFFAOYSA-N -1 1 376.877 2.002 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821572124 606480244 /nfs/dbraw/zinc/48/02/44/606480244.db2.gz SCKOWMVCVPTYBM-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821572124 606480245 /nfs/dbraw/zinc/48/02/45/606480245.db2.gz SCKOWMVCVPTYBM-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM O=S(=O)(Oc1ccc(N2CCCC2)cc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823595188 606484838 /nfs/dbraw/zinc/48/48/38/606484838.db2.gz YWIFBRFBZOPGJL-UHFFFAOYSA-N -1 1 389.412 2.374 20 0 GEADMM COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821782733 606496917 /nfs/dbraw/zinc/49/69/17/606496917.db2.gz MAQNZORBFRZUFV-UHFFFAOYSA-N -1 1 398.492 2.203 20 0 GEADMM COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821782733 606496918 /nfs/dbraw/zinc/49/69/18/606496918.db2.gz MAQNZORBFRZUFV-UHFFFAOYSA-N -1 1 398.492 2.203 20 0 GEADMM O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823372919 606498079 /nfs/dbraw/zinc/49/80/79/606498079.db2.gz NMIMWINKJLVLGQ-UHFFFAOYSA-N -1 1 396.354 2.473 20 0 GEADMM O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823372919 606498081 /nfs/dbraw/zinc/49/80/81/606498081.db2.gz NMIMWINKJLVLGQ-UHFFFAOYSA-N -1 1 396.354 2.473 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC000822693860 606499280 /nfs/dbraw/zinc/49/92/80/606499280.db2.gz MECQNCDWQCKOIU-CQSZACIVSA-N -1 1 383.412 2.320 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC000822693860 606499282 /nfs/dbraw/zinc/49/92/82/606499282.db2.gz MECQNCDWQCKOIU-CQSZACIVSA-N -1 1 383.412 2.320 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N[C@H]1CCCc2ccccc21 ZINC000823027155 606515718 /nfs/dbraw/zinc/51/57/18/606515718.db2.gz OFYWNOUSLWGEOS-ZDUSSCGKSA-N -1 1 383.433 2.279 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N[C@H]1CCCc2ccccc21 ZINC000823027155 606515720 /nfs/dbraw/zinc/51/57/20/606515720.db2.gz OFYWNOUSLWGEOS-ZDUSSCGKSA-N -1 1 383.433 2.279 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000823483255 606519316 /nfs/dbraw/zinc/51/93/16/606519316.db2.gz FYRULUAONLMTAQ-QPJJXVBHSA-N -1 1 380.477 2.399 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000823483255 606519317 /nfs/dbraw/zinc/51/93/17/606519317.db2.gz FYRULUAONLMTAQ-QPJJXVBHSA-N -1 1 380.477 2.399 20 0 GEADMM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823040634 606531420 /nfs/dbraw/zinc/53/14/20/606531420.db2.gz PLJQOIAAOQISKV-UHFFFAOYSA-N -1 1 391.391 2.186 20 0 GEADMM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823040634 606531422 /nfs/dbraw/zinc/53/14/22/606531422.db2.gz PLJQOIAAOQISKV-UHFFFAOYSA-N -1 1 391.391 2.186 20 0 GEADMM O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175460 606536740 /nfs/dbraw/zinc/53/67/40/606536740.db2.gz IXLYXMVTWYYZJA-SNVBAGLBSA-N -1 1 390.419 2.463 20 0 GEADMM O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175460 606536742 /nfs/dbraw/zinc/53/67/42/606536742.db2.gz IXLYXMVTWYYZJA-SNVBAGLBSA-N -1 1 390.419 2.463 20 0 GEADMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821330805 606541461 /nfs/dbraw/zinc/54/14/61/606541461.db2.gz SPWRPEMBJULTSY-UHFFFAOYSA-N -1 1 389.412 2.273 20 0 GEADMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821330805 606541462 /nfs/dbraw/zinc/54/14/62/606541462.db2.gz SPWRPEMBJULTSY-UHFFFAOYSA-N -1 1 389.412 2.273 20 0 GEADMM COc1cc(F)ccc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821720576 606563732 /nfs/dbraw/zinc/56/37/32/606563732.db2.gz VLPADZGKMUOKSB-UHFFFAOYSA-N -1 1 388.428 2.038 20 0 GEADMM COc1cc(F)ccc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821720576 606563735 /nfs/dbraw/zinc/56/37/35/606563735.db2.gz VLPADZGKMUOKSB-UHFFFAOYSA-N -1 1 388.428 2.038 20 0 GEADMM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC000821285585 606571245 /nfs/dbraw/zinc/57/12/45/606571245.db2.gz LCHMMTYTTXEARF-UHFFFAOYSA-N -1 1 383.437 2.273 20 0 GEADMM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821285585 606571247 /nfs/dbraw/zinc/57/12/47/606571247.db2.gz LCHMMTYTTXEARF-UHFFFAOYSA-N -1 1 383.437 2.273 20 0 GEADMM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823336928 606575431 /nfs/dbraw/zinc/57/54/31/606575431.db2.gz DCBFVDJQWSRBNB-UHFFFAOYSA-N -1 1 397.399 2.173 20 0 GEADMM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823336928 606575433 /nfs/dbraw/zinc/57/54/33/606575433.db2.gz DCBFVDJQWSRBNB-UHFFFAOYSA-N -1 1 397.399 2.173 20 0 GEADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000821596746 606577534 /nfs/dbraw/zinc/57/75/34/606577534.db2.gz TYIZYCBCNVMKQN-NSHDSACASA-N -1 1 392.485 2.400 20 0 GEADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000821596746 606577536 /nfs/dbraw/zinc/57/75/36/606577536.db2.gz TYIZYCBCNVMKQN-NSHDSACASA-N -1 1 392.485 2.400 20 0 GEADMM CC1CC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820658296 606577865 /nfs/dbraw/zinc/57/78/65/606577865.db2.gz RGCQUYSBHBPKHT-UHFFFAOYSA-N -1 1 397.439 2.246 20 0 GEADMM CN(Cc1ccccc1Br)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821614882 606596245 /nfs/dbraw/zinc/59/62/45/606596245.db2.gz YMCBIDDHTAFLSF-UHFFFAOYSA-N -1 1 391.233 2.027 20 0 GEADMM CN(Cc1ccccc1Br)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821614882 606596246 /nfs/dbraw/zinc/59/62/46/606596246.db2.gz YMCBIDDHTAFLSF-UHFFFAOYSA-N -1 1 391.233 2.027 20 0 GEADMM CN(Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821609601 606597488 /nfs/dbraw/zinc/59/74/88/606597488.db2.gz DMGFURLLEJYPMR-UHFFFAOYSA-N -1 1 391.233 2.027 20 0 GEADMM CN(Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821609601 606597489 /nfs/dbraw/zinc/59/74/89/606597489.db2.gz DMGFURLLEJYPMR-UHFFFAOYSA-N -1 1 391.233 2.027 20 0 GEADMM COC(=O)c1cccc(OCc2noc(-c3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000821669877 606619884 /nfs/dbraw/zinc/61/98/84/606619884.db2.gz BXYPKPCXNRPQMC-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM COC(=O)c1cccc(OCc2noc(-c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000821669877 606619886 /nfs/dbraw/zinc/61/98/86/606619886.db2.gz BXYPKPCXNRPQMC-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000823658071 606638223 /nfs/dbraw/zinc/63/82/23/606638223.db2.gz ZZOXDLQQKGELGE-UHFFFAOYSA-N -1 1 399.208 2.494 20 0 GEADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000820668998 606647834 /nfs/dbraw/zinc/64/78/34/606647834.db2.gz YJGRAOULCFPBNL-IAQYHMDHSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000820668998 606647835 /nfs/dbraw/zinc/64/78/35/606647835.db2.gz YJGRAOULCFPBNL-IAQYHMDHSA-N -1 1 378.392 2.213 20 0 GEADMM O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082667 606648155 /nfs/dbraw/zinc/64/81/55/606648155.db2.gz OURPRYPNINJUMH-UHFFFAOYSA-N -1 1 379.298 2.446 20 0 GEADMM O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082667 606648156 /nfs/dbraw/zinc/64/81/56/606648156.db2.gz OURPRYPNINJUMH-UHFFFAOYSA-N -1 1 379.298 2.446 20 0 GEADMM COc1ccc(F)c(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000821828384 606691960 /nfs/dbraw/zinc/69/19/60/606691960.db2.gz USFSJQDQNRVQJM-UHFFFAOYSA-N -1 1 386.387 2.303 20 0 GEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822228823 606746475 /nfs/dbraw/zinc/74/64/75/606746475.db2.gz GHJZTNUWCQTXLC-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000821476388 606747178 /nfs/dbraw/zinc/74/71/78/606747178.db2.gz OBQLZNJJNKQNEE-LLVKDONJSA-N -1 1 390.407 2.365 20 0 GEADMM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000821476388 606747180 /nfs/dbraw/zinc/74/71/80/606747180.db2.gz OBQLZNJJNKQNEE-LLVKDONJSA-N -1 1 390.407 2.365 20 0 GEADMM O=C(OCCOc1cncc(Br)c1)c1sccc1-c1nn[n-]n1 ZINC000823410179 606763900 /nfs/dbraw/zinc/76/39/00/606763900.db2.gz QFHSUUFQYIYSPO-UHFFFAOYSA-N -1 1 396.226 2.322 20 0 GEADMM Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822280646 606765249 /nfs/dbraw/zinc/76/52/49/606765249.db2.gz UXJGWJWCAFOTNY-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000820789069 606767933 /nfs/dbraw/zinc/76/79/33/606767933.db2.gz VEYMCUFHRBCDPB-LLVKDONJSA-N -1 1 399.846 2.053 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000820789069 606767934 /nfs/dbraw/zinc/76/79/34/606767934.db2.gz VEYMCUFHRBCDPB-LLVKDONJSA-N -1 1 399.846 2.053 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCCCC1 ZINC000820220328 606821312 /nfs/dbraw/zinc/82/13/12/606821312.db2.gz QZCBICRUTYXKHS-CABCVRRESA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCCCC1 ZINC000820220328 606821314 /nfs/dbraw/zinc/82/13/14/606821314.db2.gz QZCBICRUTYXKHS-CABCVRRESA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC1CCCCC1 ZINC000820777959 606824960 /nfs/dbraw/zinc/82/49/60/606824960.db2.gz UCJMTZRHXFDEJY-HNNXBMFYSA-N -1 1 398.515 2.444 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC1CCCCC1 ZINC000820777959 606824962 /nfs/dbraw/zinc/82/49/62/606824962.db2.gz UCJMTZRHXFDEJY-HNNXBMFYSA-N -1 1 398.515 2.444 20 0 GEADMM C[C@@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820635230 606844621 /nfs/dbraw/zinc/84/46/21/606844621.db2.gz KPFCSFHSPMNBON-GOSISDBHSA-N -1 1 387.440 2.358 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2c(F)ccc(F)c2C1 ZINC000823606227 606845901 /nfs/dbraw/zinc/84/59/01/606845901.db2.gz GWOCVJOJFXWAAZ-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O[C@@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674865 606877926 /nfs/dbraw/zinc/87/79/26/606877926.db2.gz SNLQDDZFVYMQGB-RYUDHWBXSA-N -1 1 392.872 2.306 20 0 GEADMM O[C@@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674865 606877927 /nfs/dbraw/zinc/87/79/27/606877927.db2.gz SNLQDDZFVYMQGB-RYUDHWBXSA-N -1 1 392.872 2.306 20 0 GEADMM COc1cc(OC)cc(OCCNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000821727143 606880767 /nfs/dbraw/zinc/88/07/67/606880767.db2.gz CVRCZYPWDZWZDV-UHFFFAOYSA-N -1 1 382.833 2.485 20 0 GEADMM COc1cc(OC)cc(OCCNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000821727143 606880768 /nfs/dbraw/zinc/88/07/68/606880768.db2.gz CVRCZYPWDZWZDV-UHFFFAOYSA-N -1 1 382.833 2.485 20 0 GEADMM CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000821422478 606888174 /nfs/dbraw/zinc/88/81/74/606888174.db2.gz WYCPLGADKBJQMW-UHFFFAOYSA-N -1 1 395.391 2.022 20 0 GEADMM COCC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC000821685668 606897645 /nfs/dbraw/zinc/89/76/45/606897645.db2.gz MDKLJNLJLPATFA-CQSZACIVSA-N -1 1 377.445 2.121 20 0 GEADMM CC1(C)C(=O)Nc2ccc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC000820577124 606949374 /nfs/dbraw/zinc/94/93/74/606949374.db2.gz KSQWSCWDCQHUTQ-UHFFFAOYSA-N -1 1 397.416 2.198 20 0 GEADMM CC1(C)C(=O)Nc2ccc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000820577124 606949375 /nfs/dbraw/zinc/94/93/75/606949375.db2.gz KSQWSCWDCQHUTQ-UHFFFAOYSA-N -1 1 397.416 2.198 20 0 GEADMM CN(Cc1cc(Br)cn1C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821607527 606987027 /nfs/dbraw/zinc/98/70/27/606987027.db2.gz SHXIRTUUVQPFOS-UHFFFAOYSA-N -1 1 381.259 2.301 20 0 GEADMM CN(Cc1cc(Br)cn1C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821607527 606987029 /nfs/dbraw/zinc/98/70/29/606987029.db2.gz SHXIRTUUVQPFOS-UHFFFAOYSA-N -1 1 381.259 2.301 20 0 GEADMM Nn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1cccs1 ZINC000822912370 607028244 /nfs/dbraw/zinc/02/82/44/607028244.db2.gz XLZPQSWSWYFAFZ-UHFFFAOYSA-N -1 1 377.846 2.100 20 0 GEADMM Nn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1cccs1 ZINC000822912370 607028246 /nfs/dbraw/zinc/02/82/46/607028246.db2.gz XLZPQSWSWYFAFZ-UHFFFAOYSA-N -1 1 377.846 2.100 20 0 GEADMM COc1cccc([C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000821863907 607040288 /nfs/dbraw/zinc/04/02/88/607040288.db2.gz QTWGVKQHSWPUTL-KRWDZBQOSA-N -1 1 389.419 2.396 20 0 GEADMM COc1cccc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000821863907 607040290 /nfs/dbraw/zinc/04/02/90/607040290.db2.gz QTWGVKQHSWPUTL-KRWDZBQOSA-N -1 1 389.419 2.396 20 0 GEADMM CCC(=CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)CC ZINC000820831992 607091763 /nfs/dbraw/zinc/09/17/63/607091763.db2.gz GRQFTKXEWIEREP-UHFFFAOYSA-N -1 1 395.423 2.281 20 0 GEADMM CCC(=CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC ZINC000820831992 607091764 /nfs/dbraw/zinc/09/17/64/607091764.db2.gz GRQFTKXEWIEREP-UHFFFAOYSA-N -1 1 395.423 2.281 20 0 GEADMM CC(C)c1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1-c1ccccn1 ZINC000820187839 607104010 /nfs/dbraw/zinc/10/40/10/607104010.db2.gz VHPHXBRLTAEFIE-UHFFFAOYSA-N -1 1 381.425 2.280 20 0 GEADMM CC(C)c1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1-c1ccccn1 ZINC000820187839 607104011 /nfs/dbraw/zinc/10/40/11/607104011.db2.gz VHPHXBRLTAEFIE-UHFFFAOYSA-N -1 1 381.425 2.280 20 0 GEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822487037 607106971 /nfs/dbraw/zinc/10/69/71/607106971.db2.gz YUOFAMXEWKCTEX-UHFFFAOYSA-N -1 1 398.427 2.446 20 0 GEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822487037 607106973 /nfs/dbraw/zinc/10/69/73/607106973.db2.gz YUOFAMXEWKCTEX-UHFFFAOYSA-N -1 1 398.427 2.446 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccc(F)c(F)c2C1 ZINC000823606147 607146377 /nfs/dbraw/zinc/14/63/77/607146377.db2.gz FYNUYXXTFCSSHG-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccc(F)c(F)c2C1 ZINC000823606147 607146379 /nfs/dbraw/zinc/14/63/79/607146379.db2.gz FYNUYXXTFCSSHG-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2cccc(F)c21 ZINC000823601048 607172495 /nfs/dbraw/zinc/17/24/95/607172495.db2.gz OUVOOVMVHMSWNM-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1Oc1cccc(F)c1 ZINC000823136212 607209952 /nfs/dbraw/zinc/20/99/52/607209952.db2.gz OOQITYUDWDYIEX-UHFFFAOYSA-N -1 1 380.343 2.028 20 0 GEADMM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)C1 ZINC000820697637 607211091 /nfs/dbraw/zinc/21/10/91/607211091.db2.gz JUDWWHSLHMAGCM-CZUORRHYSA-N -1 1 396.455 2.192 20 0 GEADMM C[C@@H](Oc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820548853 607217228 /nfs/dbraw/zinc/21/72/28/607217228.db2.gz GUDWXOCRCPGGDM-CYBMUJFWSA-N -1 1 390.407 2.237 20 0 GEADMM CC(C)(C)c1nc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2s1 ZINC000819965342 607219888 /nfs/dbraw/zinc/21/98/88/607219888.db2.gz CERZWQVFQRPXTN-UHFFFAOYSA-N -1 1 383.441 2.004 20 0 GEADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000822486294 607239089 /nfs/dbraw/zinc/23/90/89/607239089.db2.gz FHOBTGQBJQDUOE-LLVKDONJSA-N -1 1 385.375 2.312 20 0 GEADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000822486294 607239090 /nfs/dbraw/zinc/23/90/90/607239090.db2.gz FHOBTGQBJQDUOE-LLVKDONJSA-N -1 1 385.375 2.312 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCC1=CCCC1 ZINC000826328140 607803125 /nfs/dbraw/zinc/80/31/25/607803125.db2.gz HEIFGQSGCPDKIP-UHFFFAOYSA-N -1 1 380.456 2.075 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCC1=CCCC1 ZINC000826328140 607803126 /nfs/dbraw/zinc/80/31/26/607803126.db2.gz HEIFGQSGCPDKIP-UHFFFAOYSA-N -1 1 380.456 2.075 20 0 GEADMM CC(C)N(CCc1nccs1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824293859 607818229 /nfs/dbraw/zinc/81/82/29/607818229.db2.gz ZZSSLNQUXZYLAS-UHFFFAOYSA-N -1 1 396.473 2.104 20 0 GEADMM Cc1ccc(Cn2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2=O)cc1 ZINC000826289076 607825166 /nfs/dbraw/zinc/82/51/66/607825166.db2.gz JMVFPSZGUCJKCG-UHFFFAOYSA-N -1 1 387.403 2.032 20 0 GEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010499 607849516 /nfs/dbraw/zinc/84/95/16/607849516.db2.gz LEKLOLIDNPEPEN-CZUORRHYSA-N -1 1 387.806 2.438 20 0 GEADMM CN1C(=O)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010499 607849517 /nfs/dbraw/zinc/84/95/17/607849517.db2.gz LEKLOLIDNPEPEN-CZUORRHYSA-N -1 1 387.806 2.438 20 0 GEADMM CCOC(=O)c1[nH]c(C)c(C(=O)COc2cccc(F)c2-c2nnn[n-]2)c1C ZINC000825553788 607864996 /nfs/dbraw/zinc/86/49/96/607864996.db2.gz WPNVAXDSBOIOPX-UHFFFAOYSA-N -1 1 387.371 2.389 20 0 GEADMM CCOC(=O)c1[nH]c(C)c(C(=O)COc2cccc(F)c2-c2nn[n-]n2)c1C ZINC000825553788 607864997 /nfs/dbraw/zinc/86/49/97/607864997.db2.gz WPNVAXDSBOIOPX-UHFFFAOYSA-N -1 1 387.371 2.389 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1c(Cl)nc2ccccn21 ZINC000826493677 607868060 /nfs/dbraw/zinc/86/80/60/607868060.db2.gz XCIDPUZSJCPTKL-UHFFFAOYSA-N -1 1 394.775 2.075 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1c(Cl)nc2ccccn21 ZINC000826493677 607868061 /nfs/dbraw/zinc/86/80/61/607868061.db2.gz XCIDPUZSJCPTKL-UHFFFAOYSA-N -1 1 394.775 2.075 20 0 GEADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1OCC(=O)N(C)C ZINC000825149384 607901438 /nfs/dbraw/zinc/90/14/38/607901438.db2.gz XSUALJSOEQNZRD-AWEZNQCLSA-N -1 1 381.440 2.292 20 0 GEADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1OCC(=O)N(C)C ZINC000825149384 607901439 /nfs/dbraw/zinc/90/14/39/607901439.db2.gz XSUALJSOEQNZRD-AWEZNQCLSA-N -1 1 381.440 2.292 20 0 GEADMM O=C(NC[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1)Nc1ccccc1 ZINC000826435409 607903361 /nfs/dbraw/zinc/90/33/61/607903361.db2.gz NROLDQJWVBAPQM-OAHLLOKOSA-N -1 1 378.440 2.442 20 0 GEADMM O=C(NC[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC000826435409 607903362 /nfs/dbraw/zinc/90/33/62/607903362.db2.gz NROLDQJWVBAPQM-OAHLLOKOSA-N -1 1 378.440 2.442 20 0 GEADMM Cc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(I)n1 ZINC000826292963 607904698 /nfs/dbraw/zinc/90/46/98/607904698.db2.gz VDGAUVLBXUOLOC-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM Cc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(I)n1 ZINC000826292963 607904699 /nfs/dbraw/zinc/90/46/99/607904699.db2.gz VDGAUVLBXUOLOC-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000826484213 607908079 /nfs/dbraw/zinc/90/80/79/607908079.db2.gz SIRKOIQMBJMSNR-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC000826484213 607908080 /nfs/dbraw/zinc/90/80/80/607908080.db2.gz SIRKOIQMBJMSNR-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](CCO)C2)c1-c1nn[n-]n1 ZINC000826231492 607942242 /nfs/dbraw/zinc/94/22/42/607942242.db2.gz NLIMXPYLJJEZSN-LLVKDONJSA-N -1 1 388.497 2.096 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3c(F)cccc3C2)cc1-c1nn[n-]n1 ZINC000826229502 607962488 /nfs/dbraw/zinc/96/24/88/607962488.db2.gz HCKIUVCXIRIEIP-UHFFFAOYSA-N -1 1 386.412 2.027 20 0 GEADMM C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824391764 607971683 /nfs/dbraw/zinc/97/16/83/607971683.db2.gz KHLREMCQNCKTKF-SECBINFHSA-N -1 1 395.441 2.007 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1-c1ccccc1 ZINC000826322594 607985100 /nfs/dbraw/zinc/98/51/00/607985100.db2.gz SVXOEQBDARPWJN-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824107942 607997786 /nfs/dbraw/zinc/99/77/86/607997786.db2.gz AAUPMVCFAGVXBB-NWDGAFQWSA-N -1 1 388.428 2.204 20 0 GEADMM Cc1ccc([C@@H](NC(=O)Cn2ccnc2-c2nnn[n-]2)c2cccs2)cc1 ZINC000826284377 608013332 /nfs/dbraw/zinc/01/33/32/608013332.db2.gz RXAGGPKJQMVVPF-MRXNPFEDSA-N -1 1 379.449 2.339 20 0 GEADMM Cc1ccc([C@@H](NC(=O)Cn2ccnc2-c2nn[n-]n2)c2cccs2)cc1 ZINC000826284377 608013333 /nfs/dbraw/zinc/01/33/33/608013333.db2.gz RXAGGPKJQMVVPF-MRXNPFEDSA-N -1 1 379.449 2.339 20 0 GEADMM COc1ccc(COCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826206896 608030302 /nfs/dbraw/zinc/03/03/02/608030302.db2.gz PZRNRGKHYVJQKP-UHFFFAOYSA-N -1 1 383.408 2.311 20 0 GEADMM COc1ccc(COCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826206896 608030303 /nfs/dbraw/zinc/03/03/03/608030303.db2.gz PZRNRGKHYVJQKP-UHFFFAOYSA-N -1 1 383.408 2.311 20 0 GEADMM CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825506248 608031975 /nfs/dbraw/zinc/03/19/75/608031975.db2.gz IVBQQYMNPNCSDB-LLVKDONJSA-N -1 1 386.412 2.020 20 0 GEADMM CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825506248 608031976 /nfs/dbraw/zinc/03/19/76/608031976.db2.gz IVBQQYMNPNCSDB-LLVKDONJSA-N -1 1 386.412 2.020 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N(CC(F)F)CC2CCC2)cc1-c1nn[n-]n1 ZINC000826229691 608079556 /nfs/dbraw/zinc/07/95/56/608079556.db2.gz NDVFSCUZHYQSMM-UHFFFAOYSA-N -1 1 384.412 2.197 20 0 GEADMM C[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1nccs1 ZINC000824413055 608127008 /nfs/dbraw/zinc/12/70/08/608127008.db2.gz ITUCOXKZCWHGQC-SECBINFHSA-N -1 1 398.901 2.401 20 0 GEADMM C[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1nccs1 ZINC000824413055 608127009 /nfs/dbraw/zinc/12/70/09/608127009.db2.gz ITUCOXKZCWHGQC-SECBINFHSA-N -1 1 398.901 2.401 20 0 GEADMM COC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826104386 608146799 /nfs/dbraw/zinc/14/67/99/608146799.db2.gz VSQHQSIMUPKLQV-LLVKDONJSA-N -1 1 376.369 2.008 20 0 GEADMM COC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826104386 608146800 /nfs/dbraw/zinc/14/68/00/608146800.db2.gz VSQHQSIMUPKLQV-LLVKDONJSA-N -1 1 376.369 2.008 20 0 GEADMM COCCNc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000826160387 608170479 /nfs/dbraw/zinc/17/04/79/608170479.db2.gz PVFFQBSROZVVTI-UHFFFAOYSA-N -1 1 376.880 2.038 20 0 GEADMM COCCNc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000826160387 608170481 /nfs/dbraw/zinc/17/04/81/608170481.db2.gz PVFFQBSROZVVTI-UHFFFAOYSA-N -1 1 376.880 2.038 20 0 GEADMM CCN1C(=S)N=NC1C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825797323 608183700 /nfs/dbraw/zinc/18/37/00/608183700.db2.gz ZTIPPJDBGQZSSH-UHFFFAOYSA-N -1 1 397.921 2.261 20 0 GEADMM CCN1C(=S)N=NC1C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825797323 608183702 /nfs/dbraw/zinc/18/37/02/608183702.db2.gz ZTIPPJDBGQZSSH-UHFFFAOYSA-N -1 1 397.921 2.261 20 0 GEADMM CC1N=NC(=S)N1c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826336763 608208245 /nfs/dbraw/zinc/20/82/45/608208245.db2.gz MKROZXOYKMCCSG-UHFFFAOYSA-N -1 1 384.450 2.358 20 0 GEADMM CC1N=NC(=S)N1c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826336763 608208247 /nfs/dbraw/zinc/20/82/47/608208247.db2.gz MKROZXOYKMCCSG-UHFFFAOYSA-N -1 1 384.450 2.358 20 0 GEADMM Cc1scc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1C ZINC000826350056 608293537 /nfs/dbraw/zinc/29/35/37/608293537.db2.gz GKBRVSWLCBPSJN-UHFFFAOYSA-N -1 1 399.480 2.373 20 0 GEADMM Cc1cccc([C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297015 608307083 /nfs/dbraw/zinc/30/70/83/608307083.db2.gz RUAGDWILGPEXPQ-INIZCTEOSA-N -1 1 389.423 2.215 20 0 GEADMM Cc1cccc([C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826297015 608307085 /nfs/dbraw/zinc/30/70/85/608307085.db2.gz RUAGDWILGPEXPQ-INIZCTEOSA-N -1 1 389.423 2.215 20 0 GEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824052547 608308602 /nfs/dbraw/zinc/30/86/02/608308602.db2.gz PENFQWGWXCHFTI-MRVPVSSYSA-N -1 1 376.218 2.105 20 0 GEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824052547 608308604 /nfs/dbraw/zinc/30/86/04/608308604.db2.gz PENFQWGWXCHFTI-MRVPVSSYSA-N -1 1 376.218 2.105 20 0 GEADMM Fc1cc(Br)cc2c1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826372169 608415617 /nfs/dbraw/zinc/41/56/17/608415617.db2.gz KPMCMUQXQUUVAP-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM Fc1cc(Br)cc2c1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826372169 608415619 /nfs/dbraw/zinc/41/56/19/608415619.db2.gz KPMCMUQXQUUVAP-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM O=C(c1c(F)cc(F)cc1F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826468704 608420111 /nfs/dbraw/zinc/42/01/11/608420111.db2.gz DORILKRBYDQPBR-UHFFFAOYSA-N -1 1 389.341 2.173 20 0 GEADMM O=C(c1c(F)cc(F)cc1F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826468704 608420113 /nfs/dbraw/zinc/42/01/13/608420113.db2.gz DORILKRBYDQPBR-UHFFFAOYSA-N -1 1 389.341 2.173 20 0 GEADMM FC(F)(F)c1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)c1 ZINC000826369001 608428385 /nfs/dbraw/zinc/42/83/85/608428385.db2.gz JBUTZWFDOFZSTE-CYBMUJFWSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)c1 ZINC000826369001 608428387 /nfs/dbraw/zinc/42/83/87/608428387.db2.gz JBUTZWFDOFZSTE-CYBMUJFWSA-N -1 1 377.330 2.253 20 0 GEADMM CC(C)[C@H](CCN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)OC(C)(C)C ZINC000824193118 608428655 /nfs/dbraw/zinc/42/86/55/608428655.db2.gz SNJQQBURVIBAHG-LBPRGKRZSA-N -1 1 376.465 2.032 20 0 GEADMM CC(C)[C@H](CCN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)OC(C)(C)C ZINC000824193118 608428656 /nfs/dbraw/zinc/42/86/56/608428656.db2.gz SNJQQBURVIBAHG-LBPRGKRZSA-N -1 1 376.465 2.032 20 0 GEADMM CCOc1ccc([C@@H](C)NC(=O)CCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825632277 608430139 /nfs/dbraw/zinc/43/01/39/608430139.db2.gz NVURKRIZDOWEOG-CYBMUJFWSA-N -1 1 396.455 2.125 20 0 GEADMM CCOc1ccc([C@@H](C)NC(=O)CCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825632277 608430140 /nfs/dbraw/zinc/43/01/40/608430140.db2.gz NVURKRIZDOWEOG-CYBMUJFWSA-N -1 1 396.455 2.125 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000825923787 608556743 /nfs/dbraw/zinc/55/67/43/608556743.db2.gz VUHRTNSRXHUNMZ-HZSPNIEDSA-N -1 1 386.504 2.170 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000825923787 608556744 /nfs/dbraw/zinc/55/67/44/608556744.db2.gz VUHRTNSRXHUNMZ-HZSPNIEDSA-N -1 1 386.504 2.170 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Br)c2ccccc12 ZINC000826425775 608592412 /nfs/dbraw/zinc/59/24/12/608592412.db2.gz SWUAUHORRGNHLT-UHFFFAOYSA-N -1 1 399.212 2.013 20 0 GEADMM O=C(c1cc2occc2s1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826470999 608721673 /nfs/dbraw/zinc/72/16/73/608721673.db2.gz KUEIPARNHRMTLI-UHFFFAOYSA-N -1 1 384.421 2.225 20 0 GEADMM O=C(c1cc2occc2s1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826470999 608721674 /nfs/dbraw/zinc/72/16/74/608721674.db2.gz KUEIPARNHRMTLI-UHFFFAOYSA-N -1 1 384.421 2.225 20 0 GEADMM COc1cc(F)cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826179858 608756639 /nfs/dbraw/zinc/75/66/39/608756639.db2.gz IGZBBAPDZQWKRA-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1cc(F)cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826179858 608756640 /nfs/dbraw/zinc/75/66/40/608756640.db2.gz IGZBBAPDZQWKRA-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826190280 608889184 /nfs/dbraw/zinc/88/91/84/608889184.db2.gz WCIWCAYHADLZRM-INIZCTEOSA-N -1 1 381.440 2.216 20 0 GEADMM COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826190280 608889186 /nfs/dbraw/zinc/88/91/86/608889186.db2.gz WCIWCAYHADLZRM-INIZCTEOSA-N -1 1 381.440 2.216 20 0 GEADMM CCCc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825348638 609153184 /nfs/dbraw/zinc/15/31/84/609153184.db2.gz UGHUUQZQRIEGBO-UHFFFAOYSA-N -1 1 383.460 2.221 20 0 GEADMM CCCc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825348638 609153186 /nfs/dbraw/zinc/15/31/86/609153186.db2.gz UGHUUQZQRIEGBO-UHFFFAOYSA-N -1 1 383.460 2.221 20 0 GEADMM COc1ccc([C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(F)(F)F)cc1 ZINC000826189488 609158458 /nfs/dbraw/zinc/15/84/58/609158458.db2.gz WVQMPVOJVLBVRK-NSHDSACASA-N -1 1 396.333 2.034 20 0 GEADMM COc1ccc([C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(F)(F)F)cc1 ZINC000826189488 609158460 /nfs/dbraw/zinc/15/84/60/609158460.db2.gz WVQMPVOJVLBVRK-NSHDSACASA-N -1 1 396.333 2.034 20 0 GEADMM CON(Cc1ccccc1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826166495 609176042 /nfs/dbraw/zinc/17/60/42/609176042.db2.gz NQMNTEFPSBRGAQ-UHFFFAOYSA-N -1 1 382.424 2.107 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1-c1cccc(Cl)c1 ZINC000826260845 609234012 /nfs/dbraw/zinc/23/40/12/609234012.db2.gz HAAGYEUXFUMMQR-UHFFFAOYSA-N -1 1 383.803 2.000 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1-c1cccc(Cl)c1 ZINC000826260845 609234013 /nfs/dbraw/zinc/23/40/13/609234013.db2.gz HAAGYEUXFUMMQR-UHFFFAOYSA-N -1 1 383.803 2.000 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cnc(C)nc2C)c1-c1nn[n-]n1 ZINC000826329572 609246694 /nfs/dbraw/zinc/24/66/94/609246694.db2.gz JDWFBNMENJNFAE-UHFFFAOYSA-N -1 1 390.407 2.125 20 0 GEADMM CN(C)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc2n1 ZINC000825875240 609248873 /nfs/dbraw/zinc/24/88/73/609248873.db2.gz GYFIQYZTWHJBRQ-UHFFFAOYSA-N -1 1 375.392 2.439 20 0 GEADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000824908898 609288652 /nfs/dbraw/zinc/28/86/52/609288652.db2.gz RIGPFBQTEVNTSK-NEPJUHHUSA-N -1 1 385.403 2.478 20 0 GEADMM CC[C@@H]1C[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000825184683 609290550 /nfs/dbraw/zinc/29/05/50/609290550.db2.gz YBCFLCKJMLAKSF-NWDGAFQWSA-N -1 1 385.403 2.335 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1COc2ccccc21 ZINC000826458174 609291256 /nfs/dbraw/zinc/29/12/56/609291256.db2.gz GMWIQRGPMFGCJB-GFCCVEGCSA-N -1 1 391.366 2.306 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC(C)(C)c2nc(C)cs2)cc1-c1nn[n-]n1 ZINC000826229373 609300344 /nfs/dbraw/zinc/30/03/44/609300344.db2.gz BLKPOBWHYAMKHU-UHFFFAOYSA-N -1 1 391.482 2.119 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2cccnc2OC(C)C)c1-c1nn[n-]n1 ZINC000826304360 609319197 /nfs/dbraw/zinc/31/91/97/609319197.db2.gz IKEBAUKVVBVCER-UHFFFAOYSA-N -1 1 375.410 2.125 20 0 GEADMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)c(Cl)c3)cc21 ZINC000826044217 609338275 /nfs/dbraw/zinc/33/82/75/609338275.db2.gz CSLQKZQGKALULH-UHFFFAOYSA-N -1 1 390.856 2.313 20 0 GEADMM CCNc1nc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000825480717 609351114 /nfs/dbraw/zinc/35/11/14/609351114.db2.gz HRCLXMYJQSRPDQ-UHFFFAOYSA-N -1 1 399.415 2.332 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H](F)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826342612 609355039 /nfs/dbraw/zinc/35/50/39/609355039.db2.gz SIBBBSAZRDMMJY-CYBMUJFWSA-N -1 1 387.371 2.139 20 0 GEADMM O=C(NCCC(F)(F)F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435127 609359384 /nfs/dbraw/zinc/35/93/84/609359384.db2.gz HEUNWMIBKPPQLX-UHFFFAOYSA-N -1 1 384.297 2.265 20 0 GEADMM Cc1csc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826321269 609361382 /nfs/dbraw/zinc/36/13/82/609361382.db2.gz XYLDOMBIRNIFGD-UHFFFAOYSA-N -1 1 399.415 2.278 20 0 GEADMM CCc1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)on1 ZINC000825700878 609363352 /nfs/dbraw/zinc/36/33/52/609363352.db2.gz XOHXURQBYLNDLM-UHFFFAOYSA-N -1 1 397.374 2.064 20 0 GEADMM COCCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826156137 609364004 /nfs/dbraw/zinc/36/40/04/609364004.db2.gz RCEDFWBQEZKXPZ-UHFFFAOYSA-N -1 1 388.407 2.130 20 0 GEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826164988 609421049 /nfs/dbraw/zinc/42/10/49/609421049.db2.gz AHDPMDRYKFMULH-UHFFFAOYSA-N -1 1 379.829 2.467 20 0 GEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]2C ZINC000826212290 609427103 /nfs/dbraw/zinc/42/71/03/609427103.db2.gz MAJYAQAQPKZOMS-GHMZBOCLSA-N -1 1 382.424 2.249 20 0 GEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]2C ZINC000826212290 609427106 /nfs/dbraw/zinc/42/71/06/609427106.db2.gz MAJYAQAQPKZOMS-GHMZBOCLSA-N -1 1 382.424 2.249 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1ccc(CO)cc1 ZINC000826341161 609463122 /nfs/dbraw/zinc/46/31/22/609463122.db2.gz YODZFQFWMDRECJ-UHFFFAOYSA-N -1 1 379.376 2.408 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1ccc(CO)cc1 ZINC000826341161 609463124 /nfs/dbraw/zinc/46/31/24/609463124.db2.gz YODZFQFWMDRECJ-UHFFFAOYSA-N -1 1 379.376 2.408 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)c1ccc(C)o1 ZINC000826150423 609553887 /nfs/dbraw/zinc/55/38/87/609553887.db2.gz DPKNHXRXXGFZPY-LBPRGKRZSA-N -1 1 397.844 2.088 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccccc2)c(F)c1 ZINC000450959128 650076321 /nfs/dbraw/zinc/07/63/21/650076321.db2.gz ODUYDNSGIFJJBW-UHFFFAOYSA-N -1 1 386.470 2.456 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c(F)c1 ZINC000450958903 650076354 /nfs/dbraw/zinc/07/63/54/650076354.db2.gz NYSDGJXTNFTGSX-GFCCVEGCSA-N -1 1 378.491 2.398 20 0 GEADMM C[C@@]1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCS(=O)(=O)C1 ZINC000450981241 650077808 /nfs/dbraw/zinc/07/78/08/650077808.db2.gz PPOOHYHWXLHDGJ-CYBMUJFWSA-N -1 1 379.912 2.410 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl ZINC000451026372 650080929 /nfs/dbraw/zinc/08/09/29/650080929.db2.gz NGMUKEJWRLOBQO-VIFPVBQESA-N -1 1 379.912 2.268 20 0 GEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000451117086 650088499 /nfs/dbraw/zinc/08/84/99/650088499.db2.gz SWVWYIMKXQIBFY-UHFFFAOYSA-N -1 1 376.360 2.452 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C)(C)C2)c(F)c1 ZINC000451279948 650100654 /nfs/dbraw/zinc/10/06/54/650100654.db2.gz FTOKWYJAIBLQQW-UHFFFAOYSA-N -1 1 378.491 2.398 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCC2CC2)c(F)c1 ZINC000451334381 650104601 /nfs/dbraw/zinc/10/46/01/650104601.db2.gz AUQUCDGIUHUMSM-UHFFFAOYSA-N -1 1 378.491 2.398 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)OCC)c(F)c1 ZINC000451427337 650112966 /nfs/dbraw/zinc/11/29/66/650112966.db2.gz COVYRQFNCPTXKD-UHFFFAOYSA-N -1 1 396.506 2.071 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)s1 ZINC000451566610 650126063 /nfs/dbraw/zinc/12/60/63/650126063.db2.gz JXDFNXBTQMPPND-UHFFFAOYSA-N -1 1 389.886 2.327 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)n2)o1 ZINC000451674417 650131841 /nfs/dbraw/zinc/13/18/41/650131841.db2.gz ABIVVBXQBZGEKI-UHFFFAOYSA-N -1 1 378.328 2.349 20 0 GEADMM CC[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451748832 650138751 /nfs/dbraw/zinc/13/87/51/650138751.db2.gz NUJPHORFXCBFID-NWDGAFQWSA-N -1 1 378.491 2.302 20 0 GEADMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000452053414 650169488 /nfs/dbraw/zinc/16/94/88/650169488.db2.gz CYNSJWUSHKMRMS-RITPCOANSA-N -1 1 387.708 2.096 20 0 GEADMM CC[C@H](C)[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC ZINC000452406706 650184801 /nfs/dbraw/zinc/18/48/01/650184801.db2.gz LYCYRNDSRQKKFR-GWCFXTLKSA-N -1 1 397.324 2.449 20 0 GEADMM CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(I)c([O-])c1 ZINC000456072062 650329543 /nfs/dbraw/zinc/32/95/43/650329543.db2.gz SEKJOKQGBIKVRB-VIFPVBQESA-N -1 1 391.205 2.411 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1Cl ZINC000500362037 650375728 /nfs/dbraw/zinc/37/57/28/650375728.db2.gz TUTKXWAXHZHXNY-UHFFFAOYSA-N -1 1 381.797 2.481 20 0 GEADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000460426983 650442222 /nfs/dbraw/zinc/44/22/22/650442222.db2.gz ZZFJXSLIVCOIAN-UHFFFAOYSA-N -1 1 384.841 2.268 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000461454777 650454289 /nfs/dbraw/zinc/45/42/89/650454289.db2.gz VVLHILHUIOHQHE-JTQLQIEISA-N -1 1 384.841 2.360 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2nc(C(C)C)ncc2Cl)c1 ZINC000461465618 650455101 /nfs/dbraw/zinc/45/51/01/650455101.db2.gz UKLFNFOHWIRQDW-UHFFFAOYSA-N -1 1 384.845 2.119 20 0 GEADMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1cc2c(cc1Cl)OCCO2 ZINC000508113813 650474721 /nfs/dbraw/zinc/47/47/21/650474721.db2.gz WMOVFLIQJXUNOC-LBPRGKRZSA-N -1 1 387.763 2.111 20 0 GEADMM O=S(=O)([N-][C@H](CO)CC(F)F)c1c(Cl)cccc1Br ZINC000509255004 650491806 /nfs/dbraw/zinc/49/18/06/650491806.db2.gz NVKGMRIYNANURI-LURJTMIESA-N -1 1 378.622 2.397 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](CO)C(C)(C)C ZINC000509717586 650499502 /nfs/dbraw/zinc/49/95/02/650499502.db2.gz GVSMCFRGPHFKGF-NSHDSACASA-N -1 1 384.281 2.465 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cnn(C)c1C ZINC000510035477 650505361 /nfs/dbraw/zinc/50/53/61/650505361.db2.gz QNZZYNTWYRFRDH-UHFFFAOYSA-N -1 1 392.264 2.300 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)o1 ZINC000472208770 650519907 /nfs/dbraw/zinc/51/99/07/650519907.db2.gz UWLNQIMZALPPLU-UHFFFAOYSA-N -1 1 375.349 2.189 20 0 GEADMM CC1(C)CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)[N-]CC(F)(F)F ZINC000511191054 650529211 /nfs/dbraw/zinc/52/92/11/650529211.db2.gz SHTTZRMPVKDBRI-AWEZNQCLSA-N -1 1 379.448 2.273 20 0 GEADMM CNC(=O)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000475321255 650531948 /nfs/dbraw/zinc/53/19/48/650531948.db2.gz XPMQFFSLODKAPM-UHFFFAOYSA-N -1 1 381.841 2.215 20 0 GEADMM O=S(=O)([N-]CCn1cc(Br)cn1)c1cc(Cl)ccc1F ZINC000511428933 650536880 /nfs/dbraw/zinc/53/68/80/650536880.db2.gz ZBCADJQJIHXBKJ-UHFFFAOYSA-N -1 1 382.642 2.417 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cc(C)cc(F)c2)cc1[N-]S(C)(=O)=O ZINC000476259454 650547573 /nfs/dbraw/zinc/54/75/73/650547573.db2.gz LZSQZYFXHYMSOE-UHFFFAOYSA-N -1 1 388.442 2.315 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000476526931 650552939 /nfs/dbraw/zinc/55/29/39/650552939.db2.gz RFXMURXFMQPQBH-QMMMGPOBSA-N -1 1 390.177 2.063 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(O)ccc2C(F)(F)F)c1 ZINC000476534218 650553177 /nfs/dbraw/zinc/55/31/77/650553177.db2.gz NFNBFUHGNYKHTJ-UHFFFAOYSA-N -1 1 376.312 2.016 20 0 GEADMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000512781630 650554282 /nfs/dbraw/zinc/55/42/82/650554282.db2.gz VDWZHVRREOZFSB-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3sccc3C2)c(F)c1 ZINC000476893727 650562409 /nfs/dbraw/zinc/56/24/09/650562409.db2.gz DHXWVGKSABFICX-UHFFFAOYSA-N -1 1 390.483 2.006 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)c1 ZINC000513845637 650570164 /nfs/dbraw/zinc/57/01/64/650570164.db2.gz XRAGSIMTTYTBJJ-GFCCVEGCSA-N -1 1 375.443 2.101 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c(F)cc1F ZINC000477508787 650575190 /nfs/dbraw/zinc/57/51/90/650575190.db2.gz QIBZXCNXGOPDOT-UHFFFAOYSA-N -1 1 381.307 2.014 20 0 GEADMM CN(C)c1n[nH]c(C2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)n1 ZINC000515066192 650586032 /nfs/dbraw/zinc/58/60/32/650586032.db2.gz JSDGJJBFIPOGJB-UHFFFAOYSA-N -1 1 394.273 2.359 20 0 GEADMM COC[C@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC000479157258 650597694 /nfs/dbraw/zinc/59/76/94/650597694.db2.gz MUIXOMFNUWBUGB-LBPRGKRZSA-N -1 1 389.779 2.357 20 0 GEADMM 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COc1ccc(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1Br ZINC000180115074 644489017 /nfs/dbraw/zinc/48/90/17/644489017.db2.gz VCRAYWSXZYQDFZ-UHFFFAOYSA-N -1 1 383.227 2.301 20 0 GEADMM O=C(NN1Cc2ccccc2C1=O)c1cc(I)ccc1[O-] ZINC000180361328 644501408 /nfs/dbraw/zinc/50/14/08/644501408.db2.gz INZYGCRJTNEGQP-UHFFFAOYSA-N -1 1 394.168 2.298 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(Cl)cc1Cl ZINC000544103020 650933766 /nfs/dbraw/zinc/93/37/66/650933766.db2.gz IDVGMIRQSZGNQK-NOZJJQNGSA-N -1 1 382.265 2.163 20 0 GEADMM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1cc(Br)ccc1F ZINC000544610863 650946217 /nfs/dbraw/zinc/94/62/17/650946217.db2.gz CGEQIEVAQAQQMA-SECBINFHSA-N -1 1 380.157 2.180 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000182924740 644975150 /nfs/dbraw/zinc/97/51/50/644975150.db2.gz LDACYAVQSDFEID-GFCCVEGCSA-N -1 1 391.287 2.216 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1 ZINC000182919811 644975217 /nfs/dbraw/zinc/97/52/17/644975217.db2.gz 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654305550 /nfs/dbraw/zinc/30/55/50/654305550.db2.gz CXKXUIHMNWYWLD-CYBMUJFWSA-N -1 1 388.898 2.265 20 0 GEADMM CS(=O)(=O)c1cccc(CS(=O)(=O)[N-]c2ccc3c(n2)CCCC3)c1 ZINC000872011098 654312510 /nfs/dbraw/zinc/31/25/10/654312510.db2.gz WZPXSSWUPIXIKQ-UHFFFAOYSA-N -1 1 380.491 2.306 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1cnn(C)c1 ZINC000921844308 654329775 /nfs/dbraw/zinc/32/97/75/654329775.db2.gz UGRQWZHNAFOFAO-WNSKOXEYSA-N -1 1 376.548 2.382 20 0 GEADMM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1Br)C(F)(F)F ZINC000805003315 654333255 /nfs/dbraw/zinc/33/32/55/654333255.db2.gz ORPHIDNCOBDYGW-JTQLQIEISA-N -1 1 376.194 2.446 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c(Br)n1C ZINC000805015756 654335782 /nfs/dbraw/zinc/33/57/82/654335782.db2.gz SLTHUROEOKOZHO-OLZOCXBDSA-N -1 1 384.299 2.401 20 0 GEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000834623812 654338730 /nfs/dbraw/zinc/33/87/30/654338730.db2.gz YHDAAAXAFFAEKA-CLYYMRHHSA-N -1 1 377.384 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/nfs/dbraw/zinc/34/39/27/654343927.db2.gz SVDOXIURCLKEEI-RKNYENMMSA-N -1 1 389.543 2.005 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CC[C@H]2CCC3(CCC3)O2)c(Br)n1C ZINC000921935246 654344371 /nfs/dbraw/zinc/34/43/71/654344371.db2.gz WPFQXLZEOLQBCA-LLVKDONJSA-N -1 1 392.319 2.261 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)c(Br)n1C ZINC000805065130 654344519 /nfs/dbraw/zinc/34/45/19/654344519.db2.gz VHZVFDOGCLALMC-GHMZBOCLSA-N -1 1 394.335 2.361 20 0 GEADMM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cn1 ZINC000872471672 654348050 /nfs/dbraw/zinc/34/80/50/654348050.db2.gz PYIFSUKAAGMCRP-HSZRJFAPSA-N -1 1 377.532 2.490 20 0 GEADMM COC1(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCC(C)CC1 ZINC000805085256 654348105 /nfs/dbraw/zinc/34/81/05/654348105.db2.gz JNUPFTXXYIGBSM-UHFFFAOYSA-N -1 1 394.335 2.365 20 0 GEADMM COC(=O)[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000921972841 654349702 /nfs/dbraw/zinc/34/97/02/654349702.db2.gz BOQDUUBCFLVOIV-RITPCOANSA-N -1 1 388.692 2.394 20 0 GEADMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCc1ccc([O-])c(Cl)c1 ZINC000834829035 654351334 /nfs/dbraw/zinc/35/13/34/654351334.db2.gz IVSHMNXXYMKSQI-DUVNUKRYSA-N -1 1 383.901 2.388 20 0 GEADMM COc1ccc([C@H](CN(C)C)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1 ZINC000872485306 654352989 /nfs/dbraw/zinc/35/29/89/654352989.db2.gz NPNUYOKNVHYGLT-IZHWHUGBSA-N -1 1 391.559 2.029 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(S(=O)(=O)CC2CC3(CCC3)C2)C1)C(F)(F)F ZINC000872489406 654354181 /nfs/dbraw/zinc/35/41/81/654354181.db2.gz UNGHOSFJPCKSAE-LBPRGKRZSA-N -1 1 382.448 2.287 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)c1ccccc1 ZINC000872515471 654362280 /nfs/dbraw/zinc/36/22/80/654362280.db2.gz NUJVOIOVFBPNSX-LLVKDONJSA-N -1 1 375.372 2.379 20 0 GEADMM COc1ccc2c(c1)C[C@H](COC(=O)c1sccc1[N-]S(C)(=O)=O)O2 ZINC000922364498 654386953 /nfs/dbraw/zinc/38/69/53/654386953.db2.gz VAHQDRMGMWQYSY-GFCCVEGCSA-N -1 1 383.447 2.289 20 0 GEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cn2nc3n(c2=S)CCCCC3)C1 ZINC000872756313 654394923 /nfs/dbraw/zinc/39/49/23/654394923.db2.gz QQUWQIMWSIFZDN-AWEZNQCLSA-N -1 1 377.436 2.241 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]c1ccc(CN(C)C)c(Br)c1 ZINC000906063232 654411726 /nfs/dbraw/zinc/41/17/26/654411726.db2.gz FVYJCMWBPWDSLW-FQEVSTJZSA-N -1 1 398.348 2.285 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2ncc(Cl)s2)C1)C(F)(F)F ZINC000873174509 654420496 /nfs/dbraw/zinc/42/04/96/654420496.db2.gz RQCIUBQGWUEKPH-QMMMGPOBSA-N -1 1 384.811 2.397 20 0 GEADMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000855472609 654420702 /nfs/dbraw/zinc/42/07/02/654420702.db2.gz ZQEJUBRDXQDFLE-GHMZBOCLSA-N -1 1 388.219 2.013 20 0 GEADMM O=C([O-])c1cccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1F ZINC000907027477 654501510 /nfs/dbraw/zinc/50/15/10/654501510.db2.gz UBLOFPRBGOJCLM-GZMMTYOYSA-N -1 1 385.335 2.302 20 0 GEADMM C[C@@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)C(=O)c1ccc(Cl)cc1 ZINC000907479764 654547863 /nfs/dbraw/zinc/54/78/63/654547863.db2.gz MJKCXXVJHDGDEE-GXFFZTMASA-N -1 1 379.873 2.379 20 0 GEADMM O=C([C@@H]1CCc2cc(Br)ccc21)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481665 654548168 /nfs/dbraw/zinc/54/81/68/654548168.db2.gz XQPZGLDXFWOFGZ-OLZOCXBDSA-N -1 1 394.298 2.309 20 0 GEADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)CCO2 ZINC000908022943 654597679 /nfs/dbraw/zinc/59/76/79/654597679.db2.gz DJVWPUVNYDAZBQ-CVEARBPZSA-N -1 1 377.409 2.328 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@]12C[C@H]1COC21CCC1)C1CCCCC1 ZINC000908122324 654605946 /nfs/dbraw/zinc/60/59/46/654605946.db2.gz PEDGJGDDXOTOSX-WXQIDZRNSA-N -1 1 376.544 2.211 20 0 GEADMM O=S(=O)([N-][C@@H]1CCOC12CCOCC2)c1sccc1Br ZINC000908197055 654612133 /nfs/dbraw/zinc/61/21/33/654612133.db2.gz GGCDDYJDTDWLPJ-SNVBAGLBSA-N -1 1 382.301 2.127 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@@H](O)C2CC2)c1F ZINC000908313767 654621278 /nfs/dbraw/zinc/62/12/78/654621278.db2.gz PYIJCJUZRRRKAE-SNVBAGLBSA-N -1 1 382.251 2.036 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2COC[C@H]2C2CC2)c1F ZINC000908407494 654627106 /nfs/dbraw/zinc/62/71/06/654627106.db2.gz NWLIBEQMRAGMTM-ONGXEEELSA-N -1 1 394.262 2.300 20 0 GEADMM O=C([O-])[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000908596788 654635125 /nfs/dbraw/zinc/63/51/25/654635125.db2.gz CFAXQXCSSHBUHJ-VIFPVBQESA-N -1 1 379.210 2.227 20 0 GEADMM C[C@H](C(=O)Nc1cccc([O-])c1Br)S(=O)(=O)C1CCOCC1 ZINC000908710200 654638647 /nfs/dbraw/zinc/63/86/47/654638647.db2.gz ZOFAHVMQFGYWEO-SECBINFHSA-N -1 1 392.271 2.076 20 0 GEADMM CN1CCC[C@H](NC(=O)N2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])C1 ZINC000908872225 654642970 /nfs/dbraw/zinc/64/29/70/654642970.db2.gz XIWUOTVKUNXWBX-SWLSCSKDSA-N -1 1 396.285 2.064 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000909124195 654653358 /nfs/dbraw/zinc/65/33/58/654653358.db2.gz PTXOEVQEKVCKSM-STQMWFEESA-N -1 1 375.803 2.447 20 0 GEADMM CC[C@H](C(=O)Nc1cc(I)cc(C(=O)[O-])c1)N(C)C ZINC000909362422 654661216 /nfs/dbraw/zinc/66/12/16/654661216.db2.gz ISAALXAWADIKRS-LLVKDONJSA-N -1 1 376.194 2.268 20 0 GEADMM O=C([O-])C[C@H]1CCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000909741720 654673937 /nfs/dbraw/zinc/67/39/37/654673937.db2.gz INXSJOSXXIZVDY-SNVBAGLBSA-N -1 1 379.210 2.370 20 0 GEADMM Cc1c(Br)cccc1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000910172288 654690249 /nfs/dbraw/zinc/69/02/49/654690249.db2.gz ANSFBTYRYJJLQR-GFCCVEGCSA-N -1 1 383.286 2.307 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC2(Br)CC2)o1 ZINC000910195539 654691679 /nfs/dbraw/zinc/69/16/79/654691679.db2.gz LGRXDJOERONDGF-UHFFFAOYSA-N -1 1 379.276 2.014 20 0 GEADMM C[C@@]1(C(=O)[O-])CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCO1 ZINC000910327094 654696013 /nfs/dbraw/zinc/69/60/13/654696013.db2.gz ZYMZVSVFDSRWTO-INIZCTEOSA-N -1 1 394.225 2.155 20 0 GEADMM O=C([O-])c1cc(Br)cc(C(=O)N[C@H]2CCCN3CCSC[C@H]23)c1 ZINC000910985729 654715100 /nfs/dbraw/zinc/71/51/00/654715100.db2.gz BVZQMXPPTATQNH-UONOGXRCSA-N -1 1 399.310 2.457 20 0 GEADMM O=C([O-])CN1CCCN(C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000911215500 654719548 /nfs/dbraw/zinc/71/95/48/654719548.db2.gz LHPPTGCDITYRCC-UHFFFAOYSA-N -1 1 398.282 2.291 20 0 GEADMM O=C(CCc1ccc(Br)cc1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913743408 654807246 /nfs/dbraw/zinc/80/72/46/654807246.db2.gz UJCOUMXCZABYNX-UHFFFAOYSA-N -1 1 382.237 2.440 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)CC2(F)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000914113169 654827614 /nfs/dbraw/zinc/82/76/14/654827614.db2.gz JLUGDQZGIWQQLM-GFCCVEGCSA-N -1 1 380.363 2.232 20 0 GEADMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914161450 654830850 /nfs/dbraw/zinc/83/08/50/654830850.db2.gz YTIHRMXWJVJZPG-PSASIEDQSA-N -1 1 384.267 2.282 20 0 GEADMM CC[C@H](O)CCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914181025 654832958 /nfs/dbraw/zinc/83/29/58/654832958.db2.gz CUQCNEZMOJPHKS-RULNZOCKSA-N -1 1 388.433 2.419 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccnn1C1CCC1)c1ccc(Cl)cc1 ZINC000914211036 654835539 /nfs/dbraw/zinc/83/55/39/654835539.db2.gz ZKJGZZZOZWIGEH-HNNXBMFYSA-N -1 1 383.857 2.454 20 0 GEADMM CC[C@H](CCO)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914237927 654837748 /nfs/dbraw/zinc/83/77/48/654837748.db2.gz JXLYZGSNMOORQI-SECBINFHSA-N -1 1 384.267 2.284 20 0 GEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CCO1 ZINC000914318717 654844872 /nfs/dbraw/zinc/84/48/72/654844872.db2.gz WWRIGPCMNAYLQE-GEDWGEIESA-N -1 1 386.417 2.435 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCCCCCO)c1F ZINC000914332355 654846133 /nfs/dbraw/zinc/84/61/33/654846133.db2.gz QWASVRNHJMXYRM-UHFFFAOYSA-N -1 1 384.267 2.428 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H]1CCCOCC1 ZINC000914333055 654846155 /nfs/dbraw/zinc/84/61/55/654846155.db2.gz PHRRRVJBGORVBK-BSNNYGBQSA-N -1 1 386.417 2.437 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1CCCOCC1 ZINC000914333054 654846217 /nfs/dbraw/zinc/84/62/17/654846217.db2.gz PHRRRVJBGORVBK-BGJPBQGDSA-N -1 1 386.417 2.437 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@@H]1CCOC1 ZINC000914361818 654848497 /nfs/dbraw/zinc/84/84/97/654848497.db2.gz UOFUPPPPRVBPMG-QVQLBTGDSA-N -1 1 386.417 2.294 20 0 GEADMM COC[C@@](C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OC ZINC000934525971 654852038 /nfs/dbraw/zinc/85/20/38/654852038.db2.gz HIJQQENVNKWCKR-CYBMUJFWSA-N -1 1 380.185 2.235 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CCC1CC(O)C1 ZINC000915002017 654860179 /nfs/dbraw/zinc/86/01/79/654860179.db2.gz MDHFXXBQTIHPQG-PCMVPAAESA-N -1 1 386.417 2.029 20 0 GEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2Br)C(=O)O1 ZINC000915657711 654875998 /nfs/dbraw/zinc/87/59/98/654875998.db2.gz WRMIRXJAGFRAOI-GMSGAONNSA-N -1 1 382.663 2.226 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000915877011 654881388 /nfs/dbraw/zinc/88/13/88/654881388.db2.gz JSAMUBMUWXDXMO-GRYCIOLGSA-N -1 1 388.511 2.360 20 0 GEADMM Cc1c(Br)cc(F)cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000935455156 654894611 /nfs/dbraw/zinc/89/46/11/654894611.db2.gz DISGFGNDTXUOJE-NSHDSACASA-N -1 1 386.250 2.340 20 0 GEADMM O=C(c1cnn2cccc(Br)c12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000935793211 654916957 /nfs/dbraw/zinc/91/69/57/654916957.db2.gz FXXNOGBWUHGFIT-SECBINFHSA-N -1 1 392.213 2.205 20 0 GEADMM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007056999 531536853 /nfs/dbraw/zinc/53/68/53/531536853.db2.gz WZKGCDBFNFRQEA-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000152176315 531534665 /nfs/dbraw/zinc/53/46/65/531534665.db2.gz DCVBPULQATVRIO-WRWORJQWSA-N -1 1 397.241 2.050 20 0 GEADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000024431608 531603133 /nfs/dbraw/zinc/60/31/33/531603133.db2.gz AKOKDUYPMIYGOF-UHFFFAOYSA-N -1 1 399.266 2.422 20 0 GEADMM Cc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1S(N)(=O)=O ZINC000154087246 531620304 /nfs/dbraw/zinc/62/03/04/531620304.db2.gz UPPSQUGVXTWIHX-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000044662141 531684703 /nfs/dbraw/zinc/68/47/03/531684703.db2.gz WGQJBMXBGREHCE-UHFFFAOYSA-N -1 1 399.266 2.456 20 0 GEADMM O=C(CCc1ccc(Br)cc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155631297 531692072 /nfs/dbraw/zinc/69/20/72/531692072.db2.gz ZOAJWNXFAKBMKX-LLVKDONJSA-N -1 1 382.237 2.440 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(F)c1F ZINC000157452584 531742160 /nfs/dbraw/zinc/74/21/60/531742160.db2.gz JLLJIXOCAHRCMG-VIFPVBQESA-N -1 1 375.347 2.195 20 0 GEADMM CCOc1ccc(Cl)cc1CCNC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000158027581 531761909 /nfs/dbraw/zinc/76/19/09/531761909.db2.gz GCFKMNDTXHASEA-UHFFFAOYSA-N -1 1 386.857 2.212 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000055579374 531793644 /nfs/dbraw/zinc/79/36/44/531793644.db2.gz HJBHKVLOOWXVBS-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000055596578 531795521 /nfs/dbraw/zinc/79/55/21/531795521.db2.gz ZSPOEIHCQHVTFP-UHFFFAOYSA-N -1 1 380.491 2.322 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@@H](c3cccs3)C2)c(=O)[n-]1 ZINC000162173467 531837016 /nfs/dbraw/zinc/83/70/16/531837016.db2.gz ZTUXLUHDNQWOLG-CYBMUJFWSA-N -1 1 379.507 2.394 20 0 GEADMM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Br)c([O-])c1 ZINC000162638217 531845508 /nfs/dbraw/zinc/84/55/08/531845508.db2.gz RUXORJRXFHRAJQ-JTQLQIEISA-N -1 1 395.175 2.438 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)c(C)c1 ZINC000064476710 531867397 /nfs/dbraw/zinc/86/73/97/531867397.db2.gz FTDZYVSGKROAMP-UHFFFAOYSA-N -1 1 384.479 2.103 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1OC ZINC000063879752 531863438 /nfs/dbraw/zinc/86/34/38/531863438.db2.gz DSSVOBWVQJVMNS-UHFFFAOYSA-N -1 1 385.463 2.049 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000064467871 531865243 /nfs/dbraw/zinc/86/52/43/531865243.db2.gz SBVCBZDEMSZDKJ-UHFFFAOYSA-N -1 1 380.491 2.274 20 0 GEADMM O=S(=O)([N-]Cc1nnc2n1CCCCC2)c1ccc(Cl)nc1Cl ZINC000170656196 531886832 /nfs/dbraw/zinc/88/68/32/531886832.db2.gz UDDSYHBVWWPMLO-UHFFFAOYSA-N -1 1 376.269 2.185 20 0 GEADMM CC1CCC(N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000067718109 531888006 /nfs/dbraw/zinc/88/80/06/531888006.db2.gz SCAYWUUCXDJGKN-UHFFFAOYSA-N -1 1 378.491 2.396 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1S(N)(=O)=O ZINC000172889393 531972729 /nfs/dbraw/zinc/97/27/29/531972729.db2.gz AORVGLIYRDJTBW-UHFFFAOYSA-N -1 1 386.470 2.453 20 0 GEADMM C[C@H]1CN(CCC[N-]S(=O)(=O)c2sccc2Br)C[C@H](C)O1 ZINC000121181040 532016464 /nfs/dbraw/zinc/01/64/64/532016464.db2.gz XFKQXLOWHZDEBU-QWRGUYRKSA-N -1 1 397.360 2.288 20 0 GEADMM CSc1nc(C)c(CCC(=O)NC[C@@H](O)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000121368604 532025131 /nfs/dbraw/zinc/02/51/31/532025131.db2.gz AXNCHWGCBSOLNL-CQSZACIVSA-N -1 1 381.885 2.236 20 0 GEADMM CC(C)(C)N1C[C@H](NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1=O ZINC000174552680 532069885 /nfs/dbraw/zinc/06/98/85/532069885.db2.gz JGURRFDJSKUDTC-SNVBAGLBSA-N -1 1 379.511 2.185 20 0 GEADMM CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cc(F)ccc1[O-] ZINC000175215610 532092304 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20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)co1 ZINC000124065615 532114059 /nfs/dbraw/zinc/11/40/59/532114059.db2.gz ZDKBMGSPPYLAQO-UHFFFAOYSA-N -1 1 381.841 2.295 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1C(F)(F)F ZINC000125536089 532137241 /nfs/dbraw/zinc/13/72/41/532137241.db2.gz FFGFUCMREJTGJW-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM CCC[C@@H](NC(=O)c1ccc(F)cc1I)c1nn[n-]n1 ZINC000176790074 532149447 /nfs/dbraw/zinc/14/94/47/532149447.db2.gz IXIUCIFFOPXPGJ-SNVBAGLBSA-N -1 1 389.172 2.215 20 0 GEADMM O=C(NCCOc1ncc(Cl)cc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000127952897 532159647 /nfs/dbraw/zinc/15/96/47/532159647.db2.gz CMBMIJAFBQCBBM-UHFFFAOYSA-N -1 1 379.203 2.434 20 0 GEADMM COC(=O)[C@]1(C)CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000177393630 532170772 /nfs/dbraw/zinc/17/07/72/532170772.db2.gz RLIPJGGNPZUNTJ-CQSZACIVSA-N -1 1 389.189 2.022 20 0 GEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000129050886 532172265 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COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000179193114 532224325 /nfs/dbraw/zinc/22/43/25/532224325.db2.gz SATAXIJLUNGPNE-CQSZACIVSA-N -1 1 386.857 2.301 20 0 GEADMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000133551723 532238108 /nfs/dbraw/zinc/23/81/08/532238108.db2.gz SIBJYLWNASXBAP-UHFFFAOYSA-N -1 1 375.219 2.396 20 0 GEADMM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000180089024 532257140 /nfs/dbraw/zinc/25/71/40/532257140.db2.gz SVSAKBFJQJHTDW-UHFFFAOYSA-N -1 1 393.408 2.376 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNc1cccc(Br)c1 ZINC000180342617 532267775 /nfs/dbraw/zinc/26/77/75/532267775.db2.gz JOJNWIGBDDFJHM-UHFFFAOYSA-N -1 1 397.298 2.405 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)cccc1S(=O)(=O)NC1CC1 ZINC000150869067 532303481 /nfs/dbraw/zinc/30/34/81/532303481.db2.gz IZJCQHGYCFPDIC-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000182123735 532309774 /nfs/dbraw/zinc/30/97/74/532309774.db2.gz 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O=C(c1cc(I)ccc1[O-])N1CCC[C@H](n2ccnn2)C1 ZINC000425011151 532362402 /nfs/dbraw/zinc/36/24/02/532362402.db2.gz XBYDHJPMMHQIMC-NSHDSACASA-N -1 1 398.204 2.066 20 0 GEADMM C[C@@]1(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)NC(=O)NC1=O ZINC000515409868 532362890 /nfs/dbraw/zinc/36/28/90/532362890.db2.gz OCCOZDDCWWJTPK-INIZCTEOSA-N -1 1 379.825 2.195 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000590612341 532379834 /nfs/dbraw/zinc/37/98/34/532379834.db2.gz VAEJEYZVZWABAL-UHFFFAOYSA-N -1 1 378.237 2.372 20 0 GEADMM Cc1nc(C2([N-]S(=O)(=O)c3c[nH]nc3C(F)(F)F)CCCCC2)no1 ZINC000647895079 532382709 /nfs/dbraw/zinc/38/27/09/532382709.db2.gz GWCXIQGICNZCQC-UHFFFAOYSA-N -1 1 379.364 2.258 20 0 GEADMM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000647902140 532383812 /nfs/dbraw/zinc/38/38/12/532383812.db2.gz BKNJEFWRTGANIL-JQWIXIFHSA-N -1 1 377.388 2.262 20 0 GEADMM O=C(c1ccc(Br)c([O-])c1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000677852878 532383839 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CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CCOCC1 ZINC000560036517 532409133 /nfs/dbraw/zinc/40/91/33/532409133.db2.gz USPXWKZRAQNQPB-AWEZNQCLSA-N -1 1 379.837 2.116 20 0 GEADMM O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCOCC2)c1)c1ccccc1 ZINC000295153053 532411694 /nfs/dbraw/zinc/41/16/94/532411694.db2.gz BXWXXDYQYNYWCI-UHFFFAOYSA-N -1 1 381.475 2.440 20 0 GEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@]12CCCO2 ZINC000680539192 532417099 /nfs/dbraw/zinc/41/70/99/532417099.db2.gz SIRBMCQWJWVKJR-GIPNMCIBSA-N -1 1 380.260 2.047 20 0 GEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@]12CCCO2 ZINC000680539194 532417318 /nfs/dbraw/zinc/41/73/18/532417318.db2.gz SIRBMCQWJWVKJR-OPQQBVKSSA-N -1 1 380.260 2.047 20 0 GEADMM C[C@H](CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)n1cc(Br)cn1 ZINC000649218971 532418388 /nfs/dbraw/zinc/41/83/88/532418388.db2.gz AWIHRNOFNDNOEM-ZJUUUORDSA-N -1 1 384.234 2.092 20 0 GEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000373073444 532430495 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CC(C)S(=O)(=O)CCCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195113737 532469365 /nfs/dbraw/zinc/46/93/65/532469365.db2.gz XDYBYTGVJAQPJO-UHFFFAOYSA-N -1 1 391.902 2.112 20 0 GEADMM CC(C)S(=O)(=O)CCCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195113737 532469368 /nfs/dbraw/zinc/46/93/68/532469368.db2.gz XDYBYTGVJAQPJO-UHFFFAOYSA-N -1 1 391.902 2.112 20 0 GEADMM O=C([O-])CCN(C(=O)c1[nH]nc2ccc(Br)cc21)C1CCOCC1 ZINC000562516892 532470202 /nfs/dbraw/zinc/47/02/02/532470202.db2.gz OLHGUARNZFASBP-UHFFFAOYSA-N -1 1 396.241 2.421 20 0 GEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000295963937 532489709 /nfs/dbraw/zinc/48/97/09/532489709.db2.gz PVDBNVFGSSBJNQ-QMMMGPOBSA-N -1 1 376.360 2.187 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)s1 ZINC000282747020 532492700 /nfs/dbraw/zinc/49/27/00/532492700.db2.gz WBOBAMADDDPMTH-UHFFFAOYSA-N -1 1 384.445 2.444 20 0 GEADMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)onc2N)cc1Br ZINC000685489985 532492964 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CC[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H](O)c1c(F)cccc1F ZINC000269882062 532791979 /nfs/dbraw/zinc/79/19/79/532791979.db2.gz WLYDYDALSQULHQ-JQWIXIFHSA-N -1 1 379.816 2.142 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]2CCC[C@H]21 ZINC000549554898 532794500 /nfs/dbraw/zinc/79/45/00/532794500.db2.gz NERMGRFTBCMXMT-OCCSQVGLSA-N -1 1 390.502 2.396 20 0 GEADMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cn1 ZINC000314370445 532781150 /nfs/dbraw/zinc/78/11/50/532781150.db2.gz OTTSCTQKXDVFFZ-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM C[C@@H]1C[C@H](CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)O1 ZINC000412635001 532797862 /nfs/dbraw/zinc/79/78/62/532797862.db2.gz BTDYIPSKXPJZLT-GMTAPVOTSA-N -1 1 395.308 2.201 20 0 GEADMM Cc1ccc(Br)cc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000550793125 532798681 /nfs/dbraw/zinc/79/86/81/532798681.db2.gz FTCSBUGHEOQLPU-UHFFFAOYSA-N -1 1 381.255 2.214 20 0 GEADMM COC(=O)CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCOCC1 ZINC000551575186 532801165 /nfs/dbraw/zinc/80/11/65/532801165.db2.gz FUYFNNXGLCWVHY-UHFFFAOYSA-N -1 1 379.837 2.117 20 0 GEADMM CC[C@@H](NC(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccc(Cl)s1 ZINC000287616359 532802775 /nfs/dbraw/zinc/80/27/75/532802775.db2.gz MNBHXETYLAEAAO-DRAXOVJSSA-N -1 1 377.857 2.263 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(Br)n1C ZINC000288079597 532816651 /nfs/dbraw/zinc/81/66/51/532816651.db2.gz JTLLDDZTUKDQFJ-YNEHKIRRSA-N -1 1 382.283 2.108 20 0 GEADMM COC[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)OC ZINC000272686695 532816869 /nfs/dbraw/zinc/81/68/69/532816869.db2.gz OMAYQMZDESIMKO-QMMMGPOBSA-N -1 1 390.658 2.181 20 0 GEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000414226676 532820519 /nfs/dbraw/zinc/82/05/19/532820519.db2.gz UNPDYDKGZCUTAW-QMMMGPOBSA-N -1 1 376.360 2.187 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(Cl)c(OC)c1 ZINC000414399692 532824828 /nfs/dbraw/zinc/82/48/28/532824828.db2.gz VRQFZIIZWZPOQG-SNVBAGLBSA-N -1 1 387.845 2.316 20 0 GEADMM O=C(c1c[nH]c2ccc(I)cc2c1=O)N1CCCOC1 ZINC000288399404 532826304 /nfs/dbraw/zinc/82/63/04/532826304.db2.gz KMUADEUNGNTBKI-UHFFFAOYSA-N -1 1 384.173 2.365 20 0 GEADMM CC[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000288534765 532830373 /nfs/dbraw/zinc/83/03/73/532830373.db2.gz DCQBZKFFDUPKJV-ONGXEEELSA-N -1 1 376.272 2.192 20 0 GEADMM CCOCCS(=O)(=O)[N-]Cc1nc(CSc2ccc(Cl)cc2)no1 ZINC000273627201 532828736 /nfs/dbraw/zinc/82/87/36/532828736.db2.gz AESOPODTIKCUGV-UHFFFAOYSA-N -1 1 391.902 2.471 20 0 GEADMM C[S@](=O)Cc1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000273840047 532835872 /nfs/dbraw/zinc/83/58/72/532835872.db2.gz HWUKKHPNGTYKDV-VWLOTQADSA-N -1 1 379.316 2.432 20 0 GEADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000273820399 532835005 /nfs/dbraw/zinc/83/50/05/532835005.db2.gz VDTIDVIHJVVPIQ-UHFFFAOYSA-N -1 1 394.280 2.423 20 0 GEADMM CCS(=O)(=O)N1CCC([N@@H+](CC(=O)[O-])Cc2ccc(F)cc2Cl)CC1 ZINC000294441729 209135266 /nfs/dbraw/zinc/13/52/66/209135266.db2.gz RBFLCCJFRGUEDP-UHFFFAOYSA-N -1 1 392.880 2.180 20 0 GEADMM O=S(=O)([N-]CCc1cn2c(n1)SCC2)c1c(Cl)ccnc1Cl ZINC000274258205 532846625 /nfs/dbraw/zinc/84/66/25/532846625.db2.gz JYINJKDXIJKMQN-UHFFFAOYSA-N -1 1 379.294 2.212 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)C2(c3cncc(Br)c3)CC2)n1 ZINC000415654980 532852304 /nfs/dbraw/zinc/85/23/04/532852304.db2.gz ZKSQTSFHHIGZIV-UHFFFAOYSA-N -1 1 379.214 2.414 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1)C(F)(F)F ZINC000289425510 532854623 /nfs/dbraw/zinc/85/46/23/532854623.db2.gz CJNGKCGLYLGYNL-LBPRGKRZSA-N -1 1 382.379 2.046 20 0 GEADMM C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1cccs1 ZINC000289457076 532855149 /nfs/dbraw/zinc/85/51/49/532855149.db2.gz LQPHWGURLCDOTG-NEPJUHHUSA-N -1 1 377.432 2.316 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)s1 ZINC000289524763 532857237 /nfs/dbraw/zinc/85/72/37/532857237.db2.gz MNSPMZCBQMEBGQ-UHFFFAOYSA-N -1 1 380.264 2.481 20 0 GEADMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)Cc2c(F)cccc2F)no1 ZINC000289560176 532858762 /nfs/dbraw/zinc/85/87/62/532858762.db2.gz OXBFNRHSUPUEBK-JTQLQIEISA-N -1 1 375.397 2.453 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)c1ccccc1Br ZINC000416173671 532866006 /nfs/dbraw/zinc/86/60/06/532866006.db2.gz AMKULICSENLTGS-UHFFFAOYSA-N -1 1 382.214 2.324 20 0 GEADMM COc1cc(Br)ccc1[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416213933 532867405 /nfs/dbraw/zinc/86/74/05/532867405.db2.gz JKOJYAMUADFSTO-ZETCQYMHSA-N -1 1 398.213 2.159 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2cnc(Cl)s2)c(Br)n1C ZINC000289935561 532868311 /nfs/dbraw/zinc/86/83/11/532868311.db2.gz ROJPDWBRHJRXOD-UHFFFAOYSA-N -1 1 385.696 2.079 20 0 GEADMM C[C@@H](O)CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290184554 532874505 /nfs/dbraw/zinc/87/45/05/532874505.db2.gz ZMFDLWGJABYOFF-SNVBAGLBSA-N -1 1 397.324 2.185 20 0 GEADMM CCOc1cc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc(Cl)c1[O-] ZINC000333917757 532875469 /nfs/dbraw/zinc/87/54/69/532875469.db2.gz CCTMKHFAPWDPHG-KRWDZBQOSA-N -1 1 387.885 2.485 20 0 GEADMM O=C(CCSc1ccccn1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290271678 532877147 /nfs/dbraw/zinc/87/71/47/532877147.db2.gz CAJVEGUIBUCOER-LBPRGKRZSA-N -1 1 375.416 2.481 20 0 GEADMM Cc1cc(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)c(F)cc1Br ZINC000416438298 532877220 /nfs/dbraw/zinc/87/72/20/532877220.db2.gz JPWRHFZSXIQFQL-ZETCQYMHSA-N -1 1 394.184 2.488 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)Cc2cc(OC)ccc2Br)o1 ZINC000416436709 532877079 /nfs/dbraw/zinc/87/70/79/532877079.db2.gz DSFVJVGWEXDOBD-UHFFFAOYSA-N -1 1 390.259 2.023 20 0 GEADMM C[C@@H]1CSCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000290336765 532878453 /nfs/dbraw/zinc/87/84/53/532878453.db2.gz DEJRZCIANBVPRF-JTQLQIEISA-N -1 1 397.349 2.483 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC000349528289 532882377 /nfs/dbraw/zinc/88/23/77/532882377.db2.gz XPESZZVZXNPJTG-CQSZACIVSA-N -1 1 391.559 2.218 20 0 GEADMM CCOC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C)cc(S(C)(=O)=O)c1 ZINC000290451713 532881318 /nfs/dbraw/zinc/88/13/18/532881318.db2.gz DGEWMIALPZHZKH-UHFFFAOYSA-N -1 1 391.511 2.445 20 0 GEADMM CCS(=O)(=O)c1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290631268 532885363 /nfs/dbraw/zinc/88/53/63/532885363.db2.gz HCFFMPDKELFRSR-GFCCVEGCSA-N -1 1 378.416 2.375 20 0 GEADMM CCS(=O)(=O)c1ccccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290646437 532885633 /nfs/dbraw/zinc/88/56/33/532885633.db2.gz IIRDOOZINKQJMV-GFCCVEGCSA-N -1 1 378.416 2.375 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)NCc2ccc(Cl)nc2)C1)C(F)(F)F ZINC000290666316 532886417 /nfs/dbraw/zinc/88/64/17/532886417.db2.gz KBRUNPKDVSUBFH-LLVKDONJSA-N -1 1 378.782 2.335 20 0 GEADMM CCc1cnc(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000290680160 532886824 /nfs/dbraw/zinc/88/68/24/532886824.db2.gz HUKNUJOJKSYSBG-UHFFFAOYSA-N -1 1 392.264 2.139 20 0 GEADMM CN(C)S(=O)(=O)CC(N=c1nc(C2CCCCC2)[n-]s1)C(F)(F)F ZINC000420622990 532884122 /nfs/dbraw/zinc/88/41/22/532884122.db2.gz IQOPAOVNRARUMQ-JTQLQIEISA-N -1 1 386.465 2.242 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@@H](OCCO)C1 ZINC000290791800 532889294 /nfs/dbraw/zinc/88/92/94/532889294.db2.gz RYACOABNHMISNS-LLVKDONJSA-N -1 1 395.253 2.316 20 0 GEADMM C[C@H]1COCC[C@H]1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290884283 532891658 /nfs/dbraw/zinc/89/16/58/532891658.db2.gz KYRUZEFTMPUDDB-QWRGUYRKSA-N -1 1 395.308 2.061 20 0 GEADMM CCNC(=O)C1(C[N-]S(=O)(=O)c2sccc2Br)CCC1 ZINC000276919387 532903348 /nfs/dbraw/zinc/90/33/48/532903348.db2.gz KYOVDBNSAOZWFN-UHFFFAOYSA-N -1 1 381.317 2.095 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)N[C@H]2CCCN(C3CCCCC3)C2)s1 ZINC000364131406 532903804 /nfs/dbraw/zinc/90/38/04/532903804.db2.gz VWPQFILDJQXLDG-ZDUSSCGKSA-N -1 1 386.539 2.451 20 0 GEADMM C[C@H]1C[C@@H](CO)CCN1C(=O)c1cc(I)ccc1[O-] ZINC000291913700 532910592 /nfs/dbraw/zinc/91/05/92/532910592.db2.gz NDLQRIAHVGXMEV-UWVGGRQHSA-N -1 1 375.206 2.230 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000292135727 532913713 /nfs/dbraw/zinc/91/37/13/532913713.db2.gz SYGMSSVIXBSYRR-GWCFXTLKSA-N -1 1 378.778 2.291 20 0 GEADMM COc1cc(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)ccc1C ZINC000292696054 532917576 /nfs/dbraw/zinc/91/75/76/532917576.db2.gz ATKOONDGPWSMRM-UHFFFAOYSA-N -1 1 377.388 2.277 20 0 GEADMM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000292791714 532918730 /nfs/dbraw/zinc/91/87/30/532918730.db2.gz LNZAGGSQXAMQHF-ZETCQYMHSA-N -1 1 394.322 2.484 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366654206 532919961 /nfs/dbraw/zinc/91/99/61/532919961.db2.gz LHFDROTVCWODEN-GHMZBOCLSA-N -1 1 387.217 2.495 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)c(C(F)(F)F)n1 ZINC000293482230 532927589 /nfs/dbraw/zinc/92/75/89/532927589.db2.gz MKWHEQXGJYPZSX-GFCCVEGCSA-N -1 1 377.388 2.231 20 0 GEADMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293531079 532928324 /nfs/dbraw/zinc/92/83/24/532928324.db2.gz PNIWIOANNCEGFX-ZYHUDNBSSA-N -1 1 377.388 2.229 20 0 GEADMM CN(C)[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccsc1 ZINC000293883253 532933057 /nfs/dbraw/zinc/93/30/57/532933057.db2.gz BMSUJWJZSMPENQ-SNVBAGLBSA-N -1 1 382.433 2.082 20 0 GEADMM O=S(=O)(NCc1ccccc1CN1CC[C@@H](O)C1)c1cccc(Cl)c1[O-] ZINC000632196898 450598058 /nfs/dbraw/zinc/59/80/58/450598058.db2.gz DFLVSKBDEVLZDT-OAHLLOKOSA-N -1 1 396.896 2.091 20 0 GEADMM C[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736204520 598873315 /nfs/dbraw/zinc/87/33/15/598873315.db2.gz QWNUYHBUXYZRSF-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736204520 598873317 /nfs/dbraw/zinc/87/33/17/598873317.db2.gz QWNUYHBUXYZRSF-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736205466 598873672 /nfs/dbraw/zinc/87/36/72/598873672.db2.gz WXRGKJXXIHLFQZ-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736205466 598873673 /nfs/dbraw/zinc/87/36/73/598873673.db2.gz WXRGKJXXIHLFQZ-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1c1cccnc1 ZINC000738355155 598874367 /nfs/dbraw/zinc/87/43/67/598874367.db2.gz MEKWXSHSRRCSEU-CYBMUJFWSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1c1cccnc1 ZINC000738355155 598874369 /nfs/dbraw/zinc/87/43/69/598874369.db2.gz MEKWXSHSRRCSEU-CYBMUJFWSA-N -1 1 390.856 2.441 20 0 GEADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000737263951 598874725 /nfs/dbraw/zinc/87/47/25/598874725.db2.gz MMNDYLQZXNSVGO-GFCCVEGCSA-N -1 1 394.844 2.342 20 0 GEADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000737263951 598874726 /nfs/dbraw/zinc/87/47/26/598874726.db2.gz MMNDYLQZXNSVGO-GFCCVEGCSA-N -1 1 394.844 2.342 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)c2cccs2)cc1-c1nn[n-]n1 ZINC000737186081 598922398 /nfs/dbraw/zinc/92/23/98/598922398.db2.gz GBHARUDBMWXQEX-UHFFFAOYSA-N -1 1 390.494 2.458 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000737769694 598922530 /nfs/dbraw/zinc/92/25/30/598922530.db2.gz BXKDENXSYJNXKV-UHFFFAOYSA-N -1 1 382.771 2.175 20 0 GEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1F ZINC000737026472 598948072 /nfs/dbraw/zinc/94/80/72/598948072.db2.gz UFHBCUSDHPPNAT-UHFFFAOYSA-N -1 1 381.364 2.263 20 0 GEADMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000737015931 598948091 /nfs/dbraw/zinc/94/80/91/598948091.db2.gz RGDYBGSQGOOGOZ-UHFFFAOYSA-N -1 1 389.437 2.001 20 0 GEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)c2)no1 ZINC000737463094 598949469 /nfs/dbraw/zinc/94/94/69/598949469.db2.gz IBLJFRKDWPCDAT-UHFFFAOYSA-N -1 1 397.420 2.334 20 0 GEADMM CC(C)CC(=O)N1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735759994 598961724 /nfs/dbraw/zinc/96/17/24/598961724.db2.gz YSMAIMKESMTKAW-UHFFFAOYSA-N -1 1 380.456 2.259 20 0 GEADMM CC(C)CC(=O)N1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735759994 598961725 /nfs/dbraw/zinc/96/17/25/598961725.db2.gz YSMAIMKESMTKAW-UHFFFAOYSA-N -1 1 380.456 2.259 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000737617003 598985151 /nfs/dbraw/zinc/98/51/51/598985151.db2.gz YNUPXRNXRWSPOH-HNNXBMFYSA-N -1 1 394.826 2.168 20 0 GEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000737617003 598985153 /nfs/dbraw/zinc/98/51/53/598985153.db2.gz YNUPXRNXRWSPOH-HNNXBMFYSA-N -1 1 394.826 2.168 20 0 GEADMM CC(C)OC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735892052 598985912 /nfs/dbraw/zinc/98/59/12/598985912.db2.gz CIVQVQFHSIHEIB-INIZCTEOSA-N -1 1 380.408 2.075 20 0 GEADMM CC(C)OC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735892052 598985914 /nfs/dbraw/zinc/98/59/14/598985914.db2.gz CIVQVQFHSIHEIB-INIZCTEOSA-N -1 1 380.408 2.075 20 0 GEADMM O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738176409 598992121 /nfs/dbraw/zinc/99/21/21/598992121.db2.gz ZWFZOASGVSQSHP-UHFFFAOYSA-N -1 1 398.448 2.230 20 0 GEADMM O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738176409 598992123 /nfs/dbraw/zinc/99/21/23/598992123.db2.gz ZWFZOASGVSQSHP-UHFFFAOYSA-N -1 1 398.448 2.230 20 0 GEADMM O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738116659 598997672 /nfs/dbraw/zinc/99/76/72/598997672.db2.gz KWRCJLSPZNIEER-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738116659 598997673 /nfs/dbraw/zinc/99/76/73/598997673.db2.gz KWRCJLSPZNIEER-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCc2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC000737186093 599014056 /nfs/dbraw/zinc/01/40/56/599014056.db2.gz GPENZQULGMVVMB-UHFFFAOYSA-N -1 1 384.465 2.279 20 0 GEADMM COCc1csc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000737022649 599017427 /nfs/dbraw/zinc/01/74/27/599017427.db2.gz YVMDNRSTMYVQRR-UHFFFAOYSA-N -1 1 385.409 2.414 20 0 GEADMM COCc1csc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000737022649 599017429 /nfs/dbraw/zinc/01/74/29/599017429.db2.gz YVMDNRSTMYVQRR-UHFFFAOYSA-N -1 1 385.409 2.414 20 0 GEADMM O=C(CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(Cl)cc1 ZINC000737842720 599024126 /nfs/dbraw/zinc/02/41/26/599024126.db2.gz VOSZLMBBVQGBSH-UHFFFAOYSA-N -1 1 385.815 2.064 20 0 GEADMM O=C(CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(Cl)cc1 ZINC000737842720 599024127 /nfs/dbraw/zinc/02/41/27/599024127.db2.gz VOSZLMBBVQGBSH-UHFFFAOYSA-N -1 1 385.815 2.064 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735626378 599027955 /nfs/dbraw/zinc/02/79/55/599027955.db2.gz JDUSDAOODZFOEH-ZDUSSCGKSA-N -1 1 388.428 2.208 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735626378 599027957 /nfs/dbraw/zinc/02/79/57/599027957.db2.gz JDUSDAOODZFOEH-ZDUSSCGKSA-N -1 1 388.428 2.208 20 0 GEADMM Cn1cc(N2CCC[C@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2)cn1 ZINC000822680407 599036987 /nfs/dbraw/zinc/03/69/87/599036987.db2.gz OBVSGUCBOUTSNK-ZDUSSCGKSA-N -1 1 375.440 2.229 20 0 GEADMM Cn1cc(N2CCC[C@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cn1 ZINC000822680407 599036989 /nfs/dbraw/zinc/03/69/89/599036989.db2.gz OBVSGUCBOUTSNK-ZDUSSCGKSA-N -1 1 375.440 2.229 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccncc2F)c1-c1nn[n-]n1 ZINC000737504158 599059641 /nfs/dbraw/zinc/05/96/41/599059641.db2.gz QITSVUNLRDCUJN-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM NC(=O)C1(c2ccccc2)CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737738434 599061288 /nfs/dbraw/zinc/06/12/88/599061288.db2.gz JJCICDXKHMLOBJ-UHFFFAOYSA-N -1 1 389.872 2.000 20 0 GEADMM NC(=O)C1(c2ccccc2)CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737738434 599061291 /nfs/dbraw/zinc/06/12/91/599061291.db2.gz JJCICDXKHMLOBJ-UHFFFAOYSA-N -1 1 389.872 2.000 20 0 GEADMM C[C@H]1CCC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736244659 599100111 /nfs/dbraw/zinc/10/01/11/599100111.db2.gz LQQQFLJCPLHFRS-GXTWGEPZSA-N -1 1 385.472 2.207 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cccc(N(C)C)c1 ZINC000737202280 599114439 /nfs/dbraw/zinc/11/44/39/599114439.db2.gz ZRCQVDHKZQUCHS-UHFFFAOYSA-N -1 1 396.451 2.326 20 0 GEADMM CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735649872 599134275 /nfs/dbraw/zinc/13/42/75/599134275.db2.gz LIHPFPFFSUGTKE-UHFFFAOYSA-N -1 1 380.408 2.355 20 0 GEADMM CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735649872 599134277 /nfs/dbraw/zinc/13/42/77/599134277.db2.gz LIHPFPFFSUGTKE-UHFFFAOYSA-N -1 1 380.408 2.355 20 0 GEADMM CCN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)c1ccc(F)cc1 ZINC000736505845 599135024 /nfs/dbraw/zinc/13/50/24/599135024.db2.gz SQODVRWCHMWHCI-GFCCVEGCSA-N -1 1 398.398 2.167 20 0 GEADMM CCN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)c1ccc(F)cc1 ZINC000736505845 599135025 /nfs/dbraw/zinc/13/50/25/599135025.db2.gz SQODVRWCHMWHCI-GFCCVEGCSA-N -1 1 398.398 2.167 20 0 GEADMM Cc1ccc2c(COC(=O)c3ccc(-c4nnn[n-]4)nc3)cc(=O)oc2c1C ZINC000737372486 599136986 /nfs/dbraw/zinc/13/69/86/599136986.db2.gz YZKUKYCGWMFKKB-UHFFFAOYSA-N -1 1 377.360 2.342 20 0 GEADMM Cc1ccc2c(COC(=O)c3ccc(-c4nn[n-]n4)nc3)cc(=O)oc2c1C ZINC000737372486 599136987 /nfs/dbraw/zinc/13/69/87/599136987.db2.gz YZKUKYCGWMFKKB-UHFFFAOYSA-N -1 1 377.360 2.342 20 0 GEADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000737356480 599139569 /nfs/dbraw/zinc/13/95/69/599139569.db2.gz PUWHDFWZOOXGKX-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000737356480 599139571 /nfs/dbraw/zinc/13/95/71/599139571.db2.gz PUWHDFWZOOXGKX-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736100692 599142444 /nfs/dbraw/zinc/14/24/44/599142444.db2.gz NAJDCBCBYTXCNE-SUMWQHHRSA-N -1 1 394.435 2.321 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736100692 599142446 /nfs/dbraw/zinc/14/24/46/599142446.db2.gz NAJDCBCBYTXCNE-SUMWQHHRSA-N -1 1 394.435 2.321 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2n[nH]c(C)c2C)c1-c1nn[n-]n1 ZINC000737503790 599143669 /nfs/dbraw/zinc/14/36/69/599143669.db2.gz LGNVEDSSRNRTKZ-UHFFFAOYSA-N -1 1 378.396 2.058 20 0 GEADMM O=C(Oc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738246733 599151358 /nfs/dbraw/zinc/15/13/58/599151358.db2.gz KFFOAJKLXUANJS-UHFFFAOYSA-N -1 1 378.392 2.107 20 0 GEADMM O=C(Oc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738246733 599151359 /nfs/dbraw/zinc/15/13/59/599151359.db2.gz KFFOAJKLXUANJS-UHFFFAOYSA-N -1 1 378.392 2.107 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735625898 599153309 /nfs/dbraw/zinc/15/33/09/599153309.db2.gz GZQKBKLMRLZZQG-LBPRGKRZSA-N -1 1 388.428 2.066 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735625898 599153311 /nfs/dbraw/zinc/15/33/11/599153311.db2.gz GZQKBKLMRLZZQG-LBPRGKRZSA-N -1 1 388.428 2.066 20 0 GEADMM CCCC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(C)=O)c1 ZINC000736418056 599154704 /nfs/dbraw/zinc/15/47/04/599154704.db2.gz YMWOZAABHWRLKF-UHFFFAOYSA-N -1 1 394.391 2.422 20 0 GEADMM CCCC(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(C)=O)c1 ZINC000736418056 599154705 /nfs/dbraw/zinc/15/47/05/599154705.db2.gz YMWOZAABHWRLKF-UHFFFAOYSA-N -1 1 394.391 2.422 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccn(C(C)C)n1 ZINC000737198577 599214898 /nfs/dbraw/zinc/21/48/98/599214898.db2.gz BCEJLEPCBYUVEO-UHFFFAOYSA-N -1 1 385.428 2.038 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS[C@H](C(C)C)C1 ZINC000822004548 599212281 /nfs/dbraw/zinc/21/22/81/599212281.db2.gz IZHGRKGPZDUOEQ-AWEZNQCLSA-N -1 1 390.513 2.117 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)CN3CCC(C(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000739197564 596917925 /nfs/dbraw/zinc/91/79/25/596917925.db2.gz YMXAWTMXOZTDCR-GJZGRUSLSA-N -1 1 375.469 2.035 20 0 GEADMM CS[C@@H]1CCC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737169604 599227148 /nfs/dbraw/zinc/22/71/48/599227148.db2.gz BVEQXJLYDHDRHU-QWHCGFSZSA-N -1 1 390.513 2.307 20 0 GEADMM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)[C@@H](C)CO2)c1 ZINC000737322721 599229061 /nfs/dbraw/zinc/22/90/61/599229061.db2.gz MKYPKEDKFKYEME-KBXCAEBGSA-N -1 1 378.436 2.481 20 0 GEADMM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)[C@@H](C)CO2)c1 ZINC000737322721 599229062 /nfs/dbraw/zinc/22/90/62/599229062.db2.gz MKYPKEDKFKYEME-KBXCAEBGSA-N -1 1 378.436 2.481 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(=O)[O-])ccc1C ZINC000739978636 597116933 /nfs/dbraw/zinc/11/69/33/597116933.db2.gz OBJRMNKUYMZHMB-UHFFFAOYSA-N -1 1 392.433 2.009 20 0 GEADMM O=C(NCc1ccccn1)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000823261731 607312750 /nfs/dbraw/zinc/31/27/50/607312750.db2.gz RGYOCQUXSFZBFG-UHFFFAOYSA-N -1 1 375.392 2.397 20 0 GEADMM O=C(NCc1ccccn1)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000823261731 607312751 /nfs/dbraw/zinc/31/27/51/607312751.db2.gz RGYOCQUXSFZBFG-UHFFFAOYSA-N -1 1 375.392 2.397 20 0 GEADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1-n1nnnc1C1CC1 ZINC000821836068 607318940 /nfs/dbraw/zinc/31/89/40/607318940.db2.gz ZMQIQSXKNVVMDM-UHFFFAOYSA-N -1 1 395.452 2.402 20 0 GEADMM O=C(O[C@H](CSc1nc[nH]n1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823392134 607323687 /nfs/dbraw/zinc/32/36/87/607323687.db2.gz LFHMCFOTYNCPOZ-CQSZACIVSA-N -1 1 394.420 2.070 20 0 GEADMM O=C(O[C@H](CSc1nc[nH]n1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392134 607323688 /nfs/dbraw/zinc/32/36/88/607323688.db2.gz LFHMCFOTYNCPOZ-CQSZACIVSA-N -1 1 394.420 2.070 20 0 GEADMM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000821720170 607327993 /nfs/dbraw/zinc/32/79/93/607327993.db2.gz OIMFOMOQHUBTBT-UHFFFAOYSA-N -1 1 383.792 2.469 20 0 GEADMM O=C([O-])[C@H]1CC(C(=O)Nc2ccccc2-c2nnc[nH]2)=NN1c1ccccc1 ZINC000821470253 598158407 /nfs/dbraw/zinc/15/84/07/598158407.db2.gz HDKBYRFPCQDBHS-MRXNPFEDSA-N -1 1 376.376 2.130 20 0 GEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)NCc3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000819932772 598191349 /nfs/dbraw/zinc/19/13/49/598191349.db2.gz ZGLGPQFMYMWBCO-CQSZACIVSA-N -1 1 387.440 2.084 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)NCc3cccc(C(=O)[O-])c3)CCO2)[nH]1 ZINC000819932772 598191350 /nfs/dbraw/zinc/19/13/50/598191350.db2.gz ZGLGPQFMYMWBCO-CQSZACIVSA-N -1 1 387.440 2.084 20 0 GEADMM CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816671 598260336 /nfs/dbraw/zinc/26/03/36/598260336.db2.gz MWOPCMOCMSGQBB-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816671 598260338 /nfs/dbraw/zinc/26/03/38/598260338.db2.gz MWOPCMOCMSGQBB-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735733727 598261773 /nfs/dbraw/zinc/26/17/73/598261773.db2.gz JCXODBWUCGVLGP-OAHLLOKOSA-N -1 1 376.417 2.076 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735733727 598261775 /nfs/dbraw/zinc/26/17/75/598261775.db2.gz JCXODBWUCGVLGP-OAHLLOKOSA-N -1 1 376.417 2.076 20 0 GEADMM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735590135 598264685 /nfs/dbraw/zinc/26/46/85/598264685.db2.gz UZOAGSTWPCVNMC-OAHLLOKOSA-N -1 1 390.444 2.467 20 0 GEADMM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735590135 598264686 /nfs/dbraw/zinc/26/46/86/598264686.db2.gz UZOAGSTWPCVNMC-OAHLLOKOSA-N -1 1 390.444 2.467 20 0 GEADMM c1ccc2c(c1)CCN(c1ccc(CNc3nccnc3-c3nnn[n-]3)cn1)C2 ZINC000738440420 598345987 /nfs/dbraw/zinc/34/59/87/598345987.db2.gz DYZGGBNWJJTTOH-UHFFFAOYSA-N -1 1 385.435 2.227 20 0 GEADMM c1ccc2c(c1)CCN(c1ccc(CNc3nccnc3-c3nn[n-]n3)cn1)C2 ZINC000738440420 598345989 /nfs/dbraw/zinc/34/59/89/598345989.db2.gz DYZGGBNWJJTTOH-UHFFFAOYSA-N -1 1 385.435 2.227 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC(C)(C)CC1 ZINC000737488840 598385235 /nfs/dbraw/zinc/38/52/35/598385235.db2.gz YFOVCRPWHYDHOO-UHFFFAOYSA-N -1 1 382.472 2.107 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC(C)(C)CC1 ZINC000737488840 598385237 /nfs/dbraw/zinc/38/52/37/598385237.db2.gz YFOVCRPWHYDHOO-UHFFFAOYSA-N -1 1 382.472 2.107 20 0 GEADMM CC(=O)NCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735474519 598399770 /nfs/dbraw/zinc/39/97/70/598399770.db2.gz PFQCOQPLEWHQNK-UHFFFAOYSA-N -1 1 398.398 2.054 20 0 GEADMM CC(=O)NCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735474519 598399772 /nfs/dbraw/zinc/39/97/72/598399772.db2.gz PFQCOQPLEWHQNK-UHFFFAOYSA-N -1 1 398.398 2.054 20 0 GEADMM CCNC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736574571 598400239 /nfs/dbraw/zinc/40/02/39/598400239.db2.gz QKKWAUJOZLOTNJ-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM CCNC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736574571 598400241 /nfs/dbraw/zinc/40/02/41/598400241.db2.gz QKKWAUJOZLOTNJ-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM COc1ccc(-c2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c(F)c2)cc1 ZINC000737056357 598408479 /nfs/dbraw/zinc/40/84/79/598408479.db2.gz KHYDQDCSJINPLE-UHFFFAOYSA-N -1 1 379.355 2.149 20 0 GEADMM Cc1cc(C)n(CCOC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000737257216 598414664 /nfs/dbraw/zinc/41/46/64/598414664.db2.gz QVTKHYMKUBRCBV-UHFFFAOYSA-N -1 1 381.396 2.229 20 0 GEADMM Cc1cc(C)n(CCOC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000737257216 598414666 /nfs/dbraw/zinc/41/46/66/598414666.db2.gz QVTKHYMKUBRCBV-UHFFFAOYSA-N -1 1 381.396 2.229 20 0 GEADMM CC(C)[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000735725489 598423974 /nfs/dbraw/zinc/42/39/74/598423974.db2.gz WOSRLYSPQQETCE-INIZCTEOSA-N -1 1 398.398 2.038 20 0 GEADMM CC(C)[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000735725489 598423976 /nfs/dbraw/zinc/42/39/76/598423976.db2.gz WOSRLYSPQQETCE-INIZCTEOSA-N -1 1 398.398 2.038 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1nccnc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000736636820 598467584 /nfs/dbraw/zinc/46/75/84/598467584.db2.gz SSUBJNYNKDQCKW-OSMZGAPFSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1nccnc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000736636820 598467585 /nfs/dbraw/zinc/46/75/85/598467585.db2.gz SSUBJNYNKDQCKW-OSMZGAPFSA-N -1 1 379.424 2.347 20 0 GEADMM COc1ccc([C@@H](C)C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000737071379 598475576 /nfs/dbraw/zinc/47/55/76/598475576.db2.gz FALUSUZGFAFGJI-LLVKDONJSA-N -1 1 399.407 2.371 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCCCC(C)(C)CO)c1-c1nn[n-]n1 ZINC000821989348 607358545 /nfs/dbraw/zinc/35/85/45/607358545.db2.gz JYZWJINXXOVFNQ-UHFFFAOYSA-N -1 1 390.513 2.390 20 0 GEADMM Cn1cc(C(=O)Nc2cccc(OC(=O)c3sccc3-c3nn[n-]n3)c2)cn1 ZINC000737603897 598496234 /nfs/dbraw/zinc/49/62/34/598496234.db2.gz GTBBHIFWCJURBI-UHFFFAOYSA-N -1 1 395.404 2.133 20 0 GEADMM Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)nc1 ZINC000737356050 598576312 /nfs/dbraw/zinc/57/63/12/598576312.db2.gz OJCGYFOYTQJPBG-GFCCVEGCSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)nc1 ZINC000737356050 598576314 /nfs/dbraw/zinc/57/63/14/598576314.db2.gz OJCGYFOYTQJPBG-GFCCVEGCSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1ccc(CCC(=O)NCCOC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737336936 598608111 /nfs/dbraw/zinc/60/81/11/598608111.db2.gz AORHIOJPAHEJOC-UHFFFAOYSA-N -1 1 385.449 2.142 20 0 GEADMM CCc1noc(C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000736712972 598608329 /nfs/dbraw/zinc/60/83/29/598608329.db2.gz KZBWUTNJWRGCJA-UHFFFAOYSA-N -1 1 382.384 2.444 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cc(N)ccc2Cl)c(-c2nn[n-]n2)c1C ZINC000737551535 598619699 /nfs/dbraw/zinc/61/96/99/598619699.db2.gz INQTUPJAXKEEIC-UHFFFAOYSA-N -1 1 390.787 2.108 20 0 GEADMM CC(C)(C)/C=C\C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000735592576 598625448 /nfs/dbraw/zinc/62/54/48/598625448.db2.gz BNEIHOIGQTXOSV-SREVYHEPSA-N -1 1 397.439 2.366 20 0 GEADMM CCc1nn(CC(=O)Nc2ccccc2C(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705852 598642108 /nfs/dbraw/zinc/64/21/08/598642108.db2.gz QCSUPIXZVBHXCG-UHFFFAOYSA-N -1 1 395.467 2.310 20 0 GEADMM CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736565413 598662989 /nfs/dbraw/zinc/66/29/89/598662989.db2.gz WLIFQNYIASSHOC-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000737198634 598671529 /nfs/dbraw/zinc/67/15/29/598671529.db2.gz BNIIQJORLZRAJK-NSHDSACASA-N -1 1 394.435 2.331 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1cccs1)C1CC1 ZINC000738352861 598689062 /nfs/dbraw/zinc/68/90/62/598689062.db2.gz BHOCZKZZWJTFLR-UHFFFAOYSA-N -1 1 379.442 2.421 20 0 GEADMM CCN(CCc1cccs1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736541492 598693142 /nfs/dbraw/zinc/69/31/42/598693142.db2.gz IJODEZRIGMDBMA-UHFFFAOYSA-N -1 1 381.458 2.321 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738354612 598711834 /nfs/dbraw/zinc/71/18/34/598711834.db2.gz IERPKFIPPVHEGR-LBPRGKRZSA-N -1 1 390.856 2.093 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738354612 598711835 /nfs/dbraw/zinc/71/18/35/598711835.db2.gz IERPKFIPPVHEGR-LBPRGKRZSA-N -1 1 390.856 2.093 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(CCOCCOc2ccccc2)c2ccccc21 ZINC000738370504 598719888 /nfs/dbraw/zinc/71/98/88/598719888.db2.gz DTMIUPLEFMSHIH-UHFFFAOYSA-N -1 1 377.404 2.277 20 0 GEADMM C[C@@H]1CCCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736267126 598720749 /nfs/dbraw/zinc/72/07/49/598720749.db2.gz LYQICOXMCOOVCG-LLVKDONJSA-N -1 1 386.843 2.236 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)c1ccccc1C ZINC000737420639 598779873 /nfs/dbraw/zinc/77/98/73/598779873.db2.gz KTBQIWXBUKUQSK-OAHLLOKOSA-N -1 1 392.419 2.331 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)c1ccccc1C ZINC000737420639 598779875 /nfs/dbraw/zinc/77/98/75/598779875.db2.gz KTBQIWXBUKUQSK-OAHLLOKOSA-N -1 1 392.419 2.331 20 0 GEADMM CCNC(=O)CCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736573507 598808933 /nfs/dbraw/zinc/80/89/33/598808933.db2.gz JCYLLRBUASPDOM-UHFFFAOYSA-N -1 1 395.423 2.217 20 0 GEADMM COc1cc(OC)cc([C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737051384 599305847 /nfs/dbraw/zinc/30/58/47/599305847.db2.gz IYDXEYHOYMAZGI-CYBMUJFWSA-N -1 1 376.804 2.078 20 0 GEADMM COc1cc(OC)cc([C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737051384 599305849 /nfs/dbraw/zinc/30/58/49/599305849.db2.gz IYDXEYHOYMAZGI-CYBMUJFWSA-N -1 1 376.804 2.078 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H](C(F)(F)F)C1 ZINC000738355720 599335114 /nfs/dbraw/zinc/33/51/14/599335114.db2.gz QKRBOURCHVVBEK-QMMMGPOBSA-N -1 1 395.794 2.483 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ccccc2CC1 ZINC000823601186 599345506 /nfs/dbraw/zinc/34/55/06/599345506.db2.gz VHBXAYLXILZPHN-UHFFFAOYSA-N -1 1 389.868 2.310 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)c1ccccc1 ZINC000820925602 599347303 /nfs/dbraw/zinc/34/73/03/599347303.db2.gz KERAXRRKEZDMCS-INIZCTEOSA-N -1 1 386.481 2.296 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)c1ccccc1 ZINC000820925602 599347306 /nfs/dbraw/zinc/34/73/06/599347306.db2.gz KERAXRRKEZDMCS-INIZCTEOSA-N -1 1 386.481 2.296 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCC2(CCOCC2)C1 ZINC000823601111 599355610 /nfs/dbraw/zinc/35/56/10/599355610.db2.gz RNYPAHUFGUVTQI-UHFFFAOYSA-N -1 1 397.888 2.101 20 0 GEADMM CCc1nn(CC(=O)c2ccc(F)c(Cl)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706868 599369600 /nfs/dbraw/zinc/36/96/00/599369600.db2.gz ZGNBKSYNAOVSED-UHFFFAOYSA-N -1 1 390.806 2.224 20 0 GEADMM CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1 ZINC000820045981 599373082 /nfs/dbraw/zinc/37/30/82/599373082.db2.gz PKOKHPCBXSFUDA-LLVKDONJSA-N -1 1 387.918 2.282 20 0 GEADMM CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1 ZINC000820045981 599373084 /nfs/dbraw/zinc/37/30/84/599373084.db2.gz PKOKHPCBXSFUDA-LLVKDONJSA-N -1 1 387.918 2.282 20 0 GEADMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2F)c1 ZINC000737445248 599382857 /nfs/dbraw/zinc/38/28/57/599382857.db2.gz RELKDHUHQYHOFI-UHFFFAOYSA-N -1 1 399.411 2.301 20 0 GEADMM Cc1cc(Br)ccc1NC(=O)CNc1cccc(-c2nnn[n-]2)n1 ZINC000737230452 599395662 /nfs/dbraw/zinc/39/56/62/599395662.db2.gz FOJMCXBXXDSGMC-UHFFFAOYSA-N -1 1 388.229 2.383 20 0 GEADMM Cc1cc(Br)ccc1NC(=O)CNc1cccc(-c2nn[n-]n2)n1 ZINC000737230452 599395665 /nfs/dbraw/zinc/39/56/65/599395665.db2.gz FOJMCXBXXDSGMC-UHFFFAOYSA-N -1 1 388.229 2.383 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000821970826 599415711 /nfs/dbraw/zinc/41/57/11/599415711.db2.gz SWTPQAHMVQVSHC-ZDUSSCGKSA-N -1 1 396.476 2.394 20 0 GEADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)COc1cccc(C(F)(F)F)c1 ZINC000738384564 599418047 /nfs/dbraw/zinc/41/80/47/599418047.db2.gz SZODDGHAYURMRB-LLVKDONJSA-N -1 1 380.330 2.132 20 0 GEADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)COc1cccc(C(F)(F)F)c1 ZINC000738384564 599418048 /nfs/dbraw/zinc/41/80/48/599418048.db2.gz SZODDGHAYURMRB-LLVKDONJSA-N -1 1 380.330 2.132 20 0 GEADMM O=S(=O)(c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1)N1CCCCC1 ZINC000738354733 599426493 /nfs/dbraw/zinc/42/64/93/599426493.db2.gz JLBOWYAXOGOZKG-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM O=S(=O)(c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1)N1CCCCC1 ZINC000738354733 599426496 /nfs/dbraw/zinc/42/64/96/599426496.db2.gz JLBOWYAXOGOZKG-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)ccc1F ZINC000735485884 599469521 /nfs/dbraw/zinc/46/95/21/599469521.db2.gz XPCYQMOQSCZBSW-UHFFFAOYSA-N -1 1 390.400 2.073 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CCc2ccc(C)o2)cc1-c1nn[n-]n1 ZINC000821969467 599488892 /nfs/dbraw/zinc/48/88/92/599488892.db2.gz ATIQSBABFGGYCB-VIFPVBQESA-N -1 1 388.453 2.342 20 0 GEADMM CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1nccs1 ZINC000736356994 599551658 /nfs/dbraw/zinc/55/16/58/599551658.db2.gz KSWVNKQZRGGGDA-LBPRGKRZSA-N -1 1 387.469 2.241 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000737548879 599572007 /nfs/dbraw/zinc/57/20/07/599572007.db2.gz SREZGYGHRHNQLI-UHFFFAOYSA-N -1 1 392.423 2.302 20 0 GEADMM CN(Cc1ccncc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736829910 599593954 /nfs/dbraw/zinc/59/39/54/599593954.db2.gz MJCVPAJDQHTFET-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CC(C)CO[C@H](C)c1noc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000820097299 599658735 /nfs/dbraw/zinc/65/87/35/599658735.db2.gz MECLASSVVAMGFC-SECBINFHSA-N -1 1 378.414 2.402 20 0 GEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C/c2cccc(Br)c2)n1 ZINC000739920265 599738805 /nfs/dbraw/zinc/73/88/05/599738805.db2.gz KUGYOFGZUDVRLY-FNORWQNLSA-N -1 1 386.227 2.143 20 0 GEADMM CS[C@@H]1CCCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821956631 607390627 /nfs/dbraw/zinc/39/06/27/607390627.db2.gz UAYJIYABJOXWCG-SNVBAGLBSA-N -1 1 387.918 2.426 20 0 GEADMM CS[C@@H]1CCCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821956631 607390629 /nfs/dbraw/zinc/39/06/29/607390629.db2.gz UAYJIYABJOXWCG-SNVBAGLBSA-N -1 1 387.918 2.426 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736649471 599800454 /nfs/dbraw/zinc/80/04/54/599800454.db2.gz GMTVNJMGTWGRRS-MEDUHNTESA-N -1 1 398.394 2.153 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C(=O)[O-])s1 ZINC000737682237 599814238 /nfs/dbraw/zinc/81/42/38/599814238.db2.gz XUZLMVBKOFGSNO-UHFFFAOYSA-N -1 1 377.346 2.312 20 0 GEADMM C[C@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736741335 599839850 /nfs/dbraw/zinc/83/98/50/599839850.db2.gz KJWPZMSWZCUPHQ-KBXCAEBGSA-N -1 1 379.844 2.394 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000736203552 599866726 /nfs/dbraw/zinc/86/67/26/599866726.db2.gz DLKYUPZUCCGXMC-AUUYWEPGSA-N -1 1 392.471 2.283 20 0 GEADMM CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000737361835 599876903 /nfs/dbraw/zinc/87/69/03/599876903.db2.gz WHKJPUJBOQAEQG-SFHVURJKSA-N -1 1 383.448 2.061 20 0 GEADMM O=C([O-])Cc1csc(NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)n1 ZINC000738634134 599896278 /nfs/dbraw/zinc/89/62/78/599896278.db2.gz QFYBWXSBTPLPDK-UHFFFAOYSA-N -1 1 376.373 2.016 20 0 GEADMM O=C([O-])Cc1csc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000738634134 599896279 /nfs/dbraw/zinc/89/62/79/599896279.db2.gz QFYBWXSBTPLPDK-UHFFFAOYSA-N -1 1 376.373 2.016 20 0 GEADMM COc1ccc(-c2csc(NC(=O)CNC(C)(C)C(=O)[O-])n2)c(OC)c1 ZINC000737912468 599925888 /nfs/dbraw/zinc/92/58/88/599925888.db2.gz OSWGFKNQTMUGFH-UHFFFAOYSA-N -1 1 379.438 2.219 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCc1ccccc1)CCN(C)C ZINC000738277225 599934457 /nfs/dbraw/zinc/93/44/57/599934457.db2.gz AYWMGJWUVPWIPW-UHFFFAOYSA-N -1 1 390.505 2.488 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000738527275 599957616 /nfs/dbraw/zinc/95/76/16/599957616.db2.gz ZJYWQTBIXITIKP-MRXNPFEDSA-N -1 1 383.452 2.023 20 0 GEADMM CCOCCN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C[C@@H]1CC ZINC000737177752 599962172 /nfs/dbraw/zinc/96/21/72/599962172.db2.gz RUSPKUHJPJEROC-HNNXBMFYSA-N -1 1 397.541 2.434 20 0 GEADMM CON(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000737837110 599989394 /nfs/dbraw/zinc/98/93/94/599989394.db2.gz ZSJFDJXRORHJMP-UHFFFAOYSA-N -1 1 398.824 2.472 20 0 GEADMM Cc1cc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000738442172 600019127 /nfs/dbraw/zinc/01/91/27/600019127.db2.gz NRJQQTCUTUQQEI-SFHVURJKSA-N -1 1 383.448 2.234 20 0 GEADMM O=C([O-])[C@@H]1CN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000738546596 600032773 /nfs/dbraw/zinc/03/27/73/600032773.db2.gz JPCFKXOKMCBLTK-KRWDZBQOSA-N -1 1 395.887 2.047 20 0 GEADMM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000068216291 600052610 /nfs/dbraw/zinc/05/26/10/600052610.db2.gz NKYXEAXBHZVMMW-UHFFFAOYSA-N -1 1 396.380 2.222 20 0 GEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000740025762 600093112 /nfs/dbraw/zinc/09/31/12/600093112.db2.gz WPCSSZIGZWJUGN-INIZCTEOSA-N -1 1 383.452 2.222 20 0 GEADMM CCC[C@](C)(NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736962120 600151297 /nfs/dbraw/zinc/15/12/97/600151297.db2.gz XWPAFMSDGBXIPG-YWZLYKJASA-N -1 1 376.453 2.354 20 0 GEADMM CCC[C@](C)(NCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000736965504 600156748 /nfs/dbraw/zinc/15/67/48/600156748.db2.gz VIMYRQQUKJNJTG-AVYPCKFXSA-N -1 1 377.485 2.472 20 0 GEADMM CCC[C@](C)(NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)[O-] ZINC000736962485 600157214 /nfs/dbraw/zinc/15/72/14/600157214.db2.gz GDRGOBGFPFUWTK-IBGZPJMESA-N -1 1 393.509 2.047 20 0 GEADMM O=C([O-])c1cccc(CS(=O)(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000740226460 600224759 /nfs/dbraw/zinc/22/47/59/600224759.db2.gz YWXBATQOUPPJMA-UHFFFAOYSA-N -1 1 398.550 2.166 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c(O)c1 ZINC000737155186 600245440 /nfs/dbraw/zinc/24/54/40/600245440.db2.gz LMXFTPCWZHVMLW-UHFFFAOYSA-N -1 1 379.390 2.376 20 0 GEADMM CCOC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000737160942 600286101 /nfs/dbraw/zinc/28/61/01/600286101.db2.gz BCTPWGUZXIVUEB-KBPBESRZSA-N -1 1 392.452 2.247 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000737362637 600297818 /nfs/dbraw/zinc/29/78/18/600297818.db2.gz XOUVYLFAQNBFJQ-MRXNPFEDSA-N -1 1 391.374 2.021 20 0 GEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CC2 ZINC000739489313 600302483 /nfs/dbraw/zinc/30/24/83/600302483.db2.gz RIKIYSZWCOOFLL-SFHVURJKSA-N -1 1 399.491 2.050 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738163882 600307847 /nfs/dbraw/zinc/30/78/47/600307847.db2.gz JRIGFDVOYYVDJP-UHFFFAOYSA-N -1 1 381.385 2.217 20 0 GEADMM C[C@@H]1CN(Cc2ccccc2)CCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738217225 600336553 /nfs/dbraw/zinc/33/65/53/600336553.db2.gz MBZODTKKJNVRHC-XLIONFOSSA-N -1 1 384.476 2.331 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736352273 600342281 /nfs/dbraw/zinc/34/22/81/600342281.db2.gz JEOUBYWAGUCGEQ-SFHVURJKSA-N -1 1 391.516 2.190 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390570801 600345263 /nfs/dbraw/zinc/34/52/63/600345263.db2.gz UYYAEJRISPXHMX-OAHLLOKOSA-N -1 1 376.478 2.492 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C)c1 ZINC000737681734 600360032 /nfs/dbraw/zinc/36/00/32/600360032.db2.gz KKEAWYJSCROQMG-UHFFFAOYSA-N -1 1 392.433 2.034 20 0 GEADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737359833 600360340 /nfs/dbraw/zinc/36/03/40/600360340.db2.gz HVMNEEUNVCUFBI-GOSISDBHSA-N -1 1 398.463 2.154 20 0 GEADMM O=C([O-])CCN(Cc1ccccc1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000739724113 600361296 /nfs/dbraw/zinc/36/12/96/600361296.db2.gz QLHBDOSIALJRND-UHFFFAOYSA-N -1 1 394.431 2.186 20 0 GEADMM COc1ccc(OC)c(-c2csc(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])n2)c1 ZINC000738044140 600371691 /nfs/dbraw/zinc/37/16/91/600371691.db2.gz KPPLFNRDJUIPKJ-LLVKDONJSA-N -1 1 393.465 2.418 20 0 GEADMM O=C([O-])c1ccc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(F)c1 ZINC000739403494 600399822 /nfs/dbraw/zinc/39/98/22/600399822.db2.gz OZPRRTFZPMOHLM-INIZCTEOSA-N -1 1 387.411 2.065 20 0 GEADMM CC(C)N1CCO[C@H](CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000736474227 600405992 /nfs/dbraw/zinc/40/59/92/600405992.db2.gz KSFANWIBRLCYLO-RTBURBONSA-N -1 1 395.931 2.193 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)NCCc3ccc(NC(=O)[O-])cc3)cc2[nH]c1=S ZINC000739013713 600412144 /nfs/dbraw/zinc/41/21/44/600412144.db2.gz HKQFVNRPYNFUIP-UHFFFAOYSA-N -1 1 398.444 2.285 20 0 GEADMM COc1ccnc(N2CCN(C(=O)NCCc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000738143610 600461392 /nfs/dbraw/zinc/46/13/92/600461392.db2.gz TWRJYKFGPFEUMX-UHFFFAOYSA-N -1 1 399.451 2.254 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000262962234 600488528 /nfs/dbraw/zinc/48/85/28/600488528.db2.gz JDLIQUBHDVNZPP-GOSISDBHSA-N -1 1 388.512 2.013 20 0 GEADMM CN1CCN(c2cc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)ccn2)CC1 ZINC000737528553 600492876 /nfs/dbraw/zinc/49/28/76/600492876.db2.gz HWTYTQDVQSKBCX-SFHVURJKSA-N -1 1 382.464 2.169 20 0 GEADMM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000042792636 600542579 /nfs/dbraw/zinc/54/25/79/600542579.db2.gz GNTTUUMGNPMXRV-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000738498445 600550022 /nfs/dbraw/zinc/55/00/22/600550022.db2.gz HXBNVORJMXVZQN-GOSISDBHSA-N -1 1 381.432 2.104 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC(C(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000736813259 600560123 /nfs/dbraw/zinc/56/01/23/600560123.db2.gz CWSOBUWQIBHFIF-HZPDHXFCSA-N -1 1 389.496 2.302 20 0 GEADMM CC(=O)NCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736156211 600565054 /nfs/dbraw/zinc/56/50/54/600565054.db2.gz SNYZHMZUMRVOFA-UHFFFAOYSA-N -1 1 384.360 2.100 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827695418 600659834 /nfs/dbraw/zinc/65/98/34/600659834.db2.gz SOXRFMCXXMIBTH-MGPLVRAMSA-N -1 1 385.351 2.189 20 0 GEADMM O=C([O-])COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000833259815 600675756 /nfs/dbraw/zinc/67/57/56/600675756.db2.gz ZYWJVSRLFHSNKN-UHFFFAOYSA-N -1 1 398.780 2.039 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(CN3CCOC3=O)c2)cs1 ZINC000833306002 600676609 /nfs/dbraw/zinc/67/66/09/600676609.db2.gz DMKOZTGZMKVZRT-UHFFFAOYSA-N -1 1 382.419 2.199 20 0 GEADMM CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000830596558 600719527 /nfs/dbraw/zinc/71/95/27/600719527.db2.gz TUNDZZOAIFXHBV-INIZCTEOSA-N -1 1 396.896 2.489 20 0 GEADMM COC(=O)c1sc(N)c(C(=O)[O-])c1COC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000737716595 600735670 /nfs/dbraw/zinc/73/56/70/600735670.db2.gz CAJCCGLOSKJVBL-ZDUSSCGKSA-N -1 1 398.481 2.369 20 0 GEADMM CN1CCN(C(=O)c2ccc(CN[C@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000830949132 600738645 /nfs/dbraw/zinc/73/86/45/600738645.db2.gz BOKKAKCPBHEYJW-IBGZPJMESA-N -1 1 385.439 2.129 20 0 GEADMM Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)[nH]c2c1 ZINC000832959579 600777349 /nfs/dbraw/zinc/77/73/49/600777349.db2.gz WSAXQMYXYMCPEE-OAHLLOKOSA-N -1 1 388.449 2.434 20 0 GEADMM CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737369318 600797354 /nfs/dbraw/zinc/79/73/54/600797354.db2.gz GBXLSTAUSOHGJU-UHFFFAOYSA-N -1 1 382.526 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GEADMM CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC000830239442 601466361 /nfs/dbraw/zinc/46/63/61/601466361.db2.gz XKLSCCOLWRAYLK-IBGZPJMESA-N -1 1 397.475 2.234 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])cc2)CC1 ZINC000663148214 601472560 /nfs/dbraw/zinc/47/25/60/601472560.db2.gz QWKLOVLJDUNULT-NRFANRHFSA-N -1 1 393.487 2.258 20 0 GEADMM CCC1CCC(NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)(C(=O)[O-])CC1 ZINC000829101265 601494096 /nfs/dbraw/zinc/49/40/96/601494096.db2.gz LPAPOPPRHLKYRQ-UHFFFAOYSA-N -1 1 397.422 2.033 20 0 GEADMM COc1cccc([C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)N2CCCC2)c1 ZINC000832533355 601505556 /nfs/dbraw/zinc/50/55/56/601505556.db2.gz LXSGCTSCXPGFMD-QGZVFWFLSA-N -1 1 396.509 2.006 20 0 GEADMM C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828440544 601506397 /nfs/dbraw/zinc/50/63/97/601506397.db2.gz NAMGGPYMMFIOOC-YJBOKZPZSA-N -1 1 395.459 2.208 20 0 GEADMM C[C@@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828441777 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ZCXNHHRHUIPBCF-KBXCAEBGSA-N -1 1 393.459 2.094 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000739003113 602460306 /nfs/dbraw/zinc/46/03/06/602460306.db2.gz RSHSJDWDNHVFDQ-BEFAXECRSA-N -1 1 389.496 2.079 20 0 GEADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc4c(c3)CN(C(=O)[O-])CC4)cc12 ZINC000740268130 602491065 /nfs/dbraw/zinc/49/10/65/602491065.db2.gz YYXHWCNMYLAJKV-UHFFFAOYSA-N -1 1 388.405 2.368 20 0 GEADMM O=C([O-])N1CCC[C@@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000740412532 602495675 /nfs/dbraw/zinc/49/56/75/602495675.db2.gz PBJBAIXWBXKGCW-VIFPVBQESA-N -1 1 381.230 2.445 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739960820 602580836 /nfs/dbraw/zinc/58/08/36/602580836.db2.gz GCVLRTLFYALGHL-NVXWUHKLSA-N -1 1 390.484 2.274 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000739905236 602603005 /nfs/dbraw/zinc/60/30/05/602603005.db2.gz HWNZEZXQGQIVHI-KRWDZBQOSA-N -1 1 390.484 2.055 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000740709768 602603004 /nfs/dbraw/zinc/60/30/04/602603004.db2.gz FQSLLKOSRIOONB-GOSISDBHSA-N -1 1 384.436 2.317 20 0 GEADMM COc1ccc([C@H](CNC(=O)NCCN(C)C(=O)[O-])N2CCCCC2)cc1 ZINC000739891457 602610566 /nfs/dbraw/zinc/61/05/66/602610566.db2.gz BZBMHCYSWHAYBC-KRWDZBQOSA-N -1 1 378.473 2.131 20 0 GEADMM COc1ccc([C@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739891677 602612089 /nfs/dbraw/zinc/61/20/89/602612089.db2.gz DMTNHFBYSDFXCO-WMZOPIPTSA-N -1 1 390.484 2.274 20 0 GEADMM O=Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826484295 607576102 /nfs/dbraw/zinc/57/61/02/607576102.db2.gz XFMHKHGGYUELOY-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826484295 607576104 /nfs/dbraw/zinc/57/61/04/607576104.db2.gz XFMHKHGGYUELOY-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM CCN(CCNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)C(=O)[O-] ZINC000739424598 602635029 /nfs/dbraw/zinc/63/50/29/602635029.db2.gz CVNLEFSXEVVWBY-UHFFFAOYSA-N -1 1 386.456 2.361 20 0 GEADMM O=C([O-])NC[C@H](NC(=O)NCc1n[nH]c(-c2ccccc2)n1)C1CCCCC1 ZINC000740612436 602638808 /nfs/dbraw/zinc/63/88/08/602638808.db2.gz RWZMVVKFHXUZTN-HNNXBMFYSA-N -1 1 386.456 2.487 20 0 GEADMM O=C([O-])NC[C@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000740612436 602638810 /nfs/dbraw/zinc/63/88/10/602638810.db2.gz RWZMVVKFHXUZTN-HNNXBMFYSA-N -1 1 386.456 2.487 20 0 GEADMM O=S(=O)(N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489350 607578964 /nfs/dbraw/zinc/57/89/64/607578964.db2.gz NBTDSRHBNMSIHC-LBPRGKRZSA-N -1 1 391.840 2.322 20 0 GEADMM O=S(=O)(N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489350 607578966 /nfs/dbraw/zinc/57/89/66/607578966.db2.gz NBTDSRHBNMSIHC-LBPRGKRZSA-N -1 1 391.840 2.322 20 0 GEADMM COc1cccc([C@@H](CNC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945822 602655463 /nfs/dbraw/zinc/65/54/63/602655463.db2.gz PHEPKCUEOCAETL-MAUKXSAKSA-N -1 1 392.500 2.377 20 0 GEADMM O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492060 607579762 /nfs/dbraw/zinc/57/97/62/607579762.db2.gz QHJFWARAFNSOEJ-UHFFFAOYSA-N -1 1 399.354 2.086 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826189397 607580480 /nfs/dbraw/zinc/58/04/80/607580480.db2.gz UWAGAUNQABMSIS-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826189397 607580481 /nfs/dbraw/zinc/58/04/81/607580481.db2.gz UWAGAUNQABMSIS-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM O=S(=O)(NCCSc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491559 607581192 /nfs/dbraw/zinc/58/11/92/607581192.db2.gz PGXOOCNNPDEYII-UHFFFAOYSA-N -1 1 379.442 2.076 20 0 GEADMM O=S(=O)(NCCSc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491559 607581193 /nfs/dbraw/zinc/58/11/93/607581193.db2.gz PGXOOCNNPDEYII-UHFFFAOYSA-N -1 1 379.442 2.076 20 0 GEADMM O=C([O-])NCc1nc(C(=O)NCC2(N3CCSCC3)CCCC2)cs1 ZINC000740685633 602699254 /nfs/dbraw/zinc/69/92/54/602699254.db2.gz ZFFYNXGJLRVHKP-UHFFFAOYSA-N -1 1 384.527 2.002 20 0 GEADMM CN(CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000739695860 602714348 /nfs/dbraw/zinc/71/43/48/602714348.db2.gz UWVLVTIIUYNXHM-UHFFFAOYSA-N -1 1 382.892 2.461 20 0 GEADMM O=S(=O)(NCc1ccccc1OC(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491799 607582709 /nfs/dbraw/zinc/58/27/09/607582709.db2.gz BUPHJCLXELWFMY-UHFFFAOYSA-N -1 1 399.354 2.086 20 0 GEADMM O=S(=O)(NCc1ccccc1OC(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491799 607582714 /nfs/dbraw/zinc/58/27/14/607582714.db2.gz BUPHJCLXELWFMY-UHFFFAOYSA-N -1 1 399.354 2.086 20 0 GEADMM C[C@H](Cc1cccs1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824457733 607584563 /nfs/dbraw/zinc/58/45/63/607584563.db2.gz RAMRWIKWNMAMET-SECBINFHSA-N -1 1 383.886 2.491 20 0 GEADMM C[C@H](Cc1cccs1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824457733 607584565 /nfs/dbraw/zinc/58/45/65/607584565.db2.gz RAMRWIKWNMAMET-SECBINFHSA-N -1 1 383.886 2.491 20 0 GEADMM C[C@@H](Cc1cccs1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824457734 607584750 /nfs/dbraw/zinc/58/47/50/607584750.db2.gz RAMRWIKWNMAMET-VIFPVBQESA-N -1 1 383.886 2.491 20 0 GEADMM C[C@@H](Cc1cccs1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824457734 607584751 /nfs/dbraw/zinc/58/47/51/607584751.db2.gz RAMRWIKWNMAMET-VIFPVBQESA-N -1 1 383.886 2.491 20 0 GEADMM CC(C)Oc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824334511 607591342 /nfs/dbraw/zinc/59/13/42/607591342.db2.gz WOTMOSZYKBYNDV-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM CC(C)Oc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824334511 607591343 /nfs/dbraw/zinc/59/13/43/607591343.db2.gz WOTMOSZYKBYNDV-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000824899344 607591348 /nfs/dbraw/zinc/59/13/48/607591348.db2.gz JHUILCKZBUJDRY-SKDRFNHKSA-N -1 1 377.401 2.201 20 0 GEADMM COCCN1CCC[C@H](NC(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C1 ZINC000828992851 602872844 /nfs/dbraw/zinc/87/28/44/602872844.db2.gz SBSLBZOHZJJXTK-NSHDSACASA-N -1 1 385.848 2.279 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000739965897 602901587 /nfs/dbraw/zinc/90/15/87/602901587.db2.gz IUIOMLYOFMVIIB-MRXNPFEDSA-N -1 1 381.392 2.105 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000739965897 602901588 /nfs/dbraw/zinc/90/15/88/602901588.db2.gz IUIOMLYOFMVIIB-MRXNPFEDSA-N -1 1 381.392 2.105 20 0 GEADMM COc1cccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826214730 607594233 /nfs/dbraw/zinc/59/42/33/607594233.db2.gz VNDUAYCALMOBEF-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM O=S(=O)(NC[C@@H]1Cc2ccccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490648 607594947 /nfs/dbraw/zinc/59/49/47/607594947.db2.gz CBKVXNPXSFSXPC-NSHDSACASA-N -1 1 375.841 2.138 20 0 GEADMM O=S(=O)(NC[C@@H]1Cc2ccccc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490648 607594949 /nfs/dbraw/zinc/59/49/49/607594949.db2.gz CBKVXNPXSFSXPC-NSHDSACASA-N -1 1 375.841 2.138 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)N(C)C)c1 ZINC000739945499 602956509 /nfs/dbraw/zinc/95/65/09/602956509.db2.gz LIHPWGLSPQIIQY-CPUCHLNUSA-N -1 1 378.473 2.080 20 0 GEADMM C[C@H](C(=O)N1CCN(CC2CCOCC2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823676490 602965613 /nfs/dbraw/zinc/96/56/13/602965613.db2.gz CUCXWZBZKSOWOC-QFBILLFUSA-N -1 1 389.496 2.202 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1COc2ccccc21 ZINC000826232952 607597821 /nfs/dbraw/zinc/59/78/21/607597821.db2.gz OBJUAVKVEWCCCI-OAHLLOKOSA-N -1 1 381.392 2.194 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])CCCCC2)CCO1 ZINC000739063464 602992607 /nfs/dbraw/zinc/99/26/07/602992607.db2.gz JQVTXZXCWYFDBH-JKSUJKDBSA-N -1 1 381.517 2.353 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)N2CCCC2)cc1 ZINC000829313112 603002180 /nfs/dbraw/zinc/00/21/80/603002180.db2.gz ZYVLMWKAXBLCHP-MAUKXSAKSA-N -1 1 390.484 2.226 20 0 GEADMM CSCc1nc2ccccc2n1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826228801 607599948 /nfs/dbraw/zinc/59/99/48/607599948.db2.gz AYOCCXXDRWKDHO-UHFFFAOYSA-N -1 1 395.448 2.218 20 0 GEADMM CSCc1nc2ccccc2n1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826228801 607599950 /nfs/dbraw/zinc/59/99/50/607599950.db2.gz AYOCCXXDRWKDHO-UHFFFAOYSA-N -1 1 395.448 2.218 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1 ZINC000739906813 603016950 /nfs/dbraw/zinc/01/69/50/603016950.db2.gz NREYDCKTBQSFIB-MSOLQXFVSA-N -1 1 375.469 2.166 20 0 GEADMM Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305051 607603334 /nfs/dbraw/zinc/60/33/34/607603334.db2.gz ITYGHXMKDSDRIC-AWEZNQCLSA-N -1 1 389.412 2.116 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc3c(c2)CCCC3=O)c1-c1nn[n-]n1 ZINC000826304490 607603666 /nfs/dbraw/zinc/60/36/66/607603666.db2.gz MXGBSMUWBOFSOY-UHFFFAOYSA-N -1 1 384.417 2.462 20 0 GEADMM CCc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000825744843 607604563 /nfs/dbraw/zinc/60/45/63/607604563.db2.gz GDOGYYWGQLBVJI-UHFFFAOYSA-N -1 1 398.901 2.060 20 0 GEADMM CCc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000825744843 607604565 /nfs/dbraw/zinc/60/45/65/607604565.db2.gz GDOGYYWGQLBVJI-UHFFFAOYSA-N -1 1 398.901 2.060 20 0 GEADMM CCc1nnc([C@H]2CN(C(=O)CC[C@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827619740 603075500 /nfs/dbraw/zinc/07/55/00/603075500.db2.gz AGTQIXJJRQSJIF-LSDHHAIUSA-N -1 1 387.440 2.056 20 0 GEADMM COCCN(CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)C(=O)[O-] ZINC000739818712 603105939 /nfs/dbraw/zinc/10/59/39/603105939.db2.gz LNLDCZOQJFFYHG-IBGZPJMESA-N -1 1 382.420 2.395 20 0 GEADMM Nc1c(F)cc(Br)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826395402 607608095 /nfs/dbraw/zinc/60/80/95/607608095.db2.gz AATGDXPLCMYRAE-UHFFFAOYSA-N -1 1 393.176 2.103 20 0 GEADMM Nc1c(F)cc(Br)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826395402 607608098 /nfs/dbraw/zinc/60/80/98/607608098.db2.gz AATGDXPLCMYRAE-UHFFFAOYSA-N -1 1 393.176 2.103 20 0 GEADMM O=S(=O)(NC1(c2ccc(F)cc2)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487435 607609523 /nfs/dbraw/zinc/60/95/23/607609523.db2.gz OPPIJOKJAFEWHJ-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM O=C([O-])N1CCC(N(C(=O)CC2(N3CCOCC3)CCCC2)C2CC2)CC1 ZINC000740500685 603171212 /nfs/dbraw/zinc/17/12/12/603171212.db2.gz IRSYYCMJSPVCFY-UHFFFAOYSA-N -1 1 379.501 2.155 20 0 GEADMM Cc1nc(C)c(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826324051 607612036 /nfs/dbraw/zinc/61/20/36/607612036.db2.gz CEWJJQUHXMUQEP-UHFFFAOYSA-N -1 1 398.901 2.114 20 0 GEADMM Cc1nc(C)c(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826324051 607612037 /nfs/dbraw/zinc/61/20/37/607612037.db2.gz CEWJJQUHXMUQEP-UHFFFAOYSA-N -1 1 398.901 2.114 20 0 GEADMM O=C(Cc1cccc(OCC(F)(F)F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826423526 607614314 /nfs/dbraw/zinc/61/43/14/607614314.db2.gz TUIPJOPFBDTQFJ-UHFFFAOYSA-N -1 1 393.325 2.489 20 0 GEADMM O=C(Cc1cccc(OCC(F)(F)F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826423526 607614316 /nfs/dbraw/zinc/61/43/16/607614316.db2.gz TUIPJOPFBDTQFJ-UHFFFAOYSA-N -1 1 393.325 2.489 20 0 GEADMM CC1(C)C[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824795898 607614533 /nfs/dbraw/zinc/61/45/33/607614533.db2.gz IAOOXTKJJZGWLP-SECBINFHSA-N -1 1 375.376 2.210 20 0 GEADMM O=S(=O)(NC[C@@H]1CCc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489838 607618935 /nfs/dbraw/zinc/61/89/35/607618935.db2.gz BGQAHISXPZBKNO-GFCCVEGCSA-N -1 1 387.440 2.089 20 0 GEADMM O=S(=O)(NCCOC1CCCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491419 607619160 /nfs/dbraw/zinc/61/91/60/607619160.db2.gz IRJKAKKLODRGTK-UHFFFAOYSA-N -1 1 383.449 2.024 20 0 GEADMM CN(c1ccc2ccccc2n1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826004262 607619887 /nfs/dbraw/zinc/61/98/87/607619887.db2.gz QBYXKRKVQBGTGR-UHFFFAOYSA-N -1 1 384.396 2.379 20 0 GEADMM O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487076 607620419 /nfs/dbraw/zinc/62/04/19/607620419.db2.gz CHKUPKUGFFFBJY-MRXNPFEDSA-N -1 1 387.440 2.305 20 0 GEADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)c1 ZINC000740170874 603304168 /nfs/dbraw/zinc/30/41/68/603304168.db2.gz LQKMBHXBHKUVJN-QGZVFWFLSA-N -1 1 389.496 2.297 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)CN(CC3CC3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000826059220 603319036 /nfs/dbraw/zinc/31/90/36/603319036.db2.gz RWIBTFHJWYWWHZ-HOTGVXAUSA-N -1 1 389.496 2.302 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000824257314 603363030 /nfs/dbraw/zinc/36/30/30/603363030.db2.gz OSXKMKUFUNTRPT-PBHICJAKSA-N -1 1 378.473 2.494 20 0 GEADMM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000740361148 603382470 /nfs/dbraw/zinc/38/24/70/603382470.db2.gz AQKGTWCHRJAQMY-HOTGVXAUSA-N -1 1 379.457 2.082 20 0 GEADMM COCCN1CCCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)CC1 ZINC000828993220 603408573 /nfs/dbraw/zinc/40/85/73/603408573.db2.gz ZBTPLFQMJCNGAN-UHFFFAOYSA-N -1 1 385.848 2.233 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1)C(=O)[O-] ZINC000827170524 603455515 /nfs/dbraw/zinc/45/55/15/603455515.db2.gz ITWVBSZPCMECQC-HNNXBMFYSA-N -1 1 388.428 2.218 20 0 GEADMM CCC1(CC)CCN(CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000826649466 603492122 /nfs/dbraw/zinc/49/21/22/603492122.db2.gz HCGLPLBDUSYOBB-LIRRHRJNSA-N -1 1 380.489 2.204 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000829474398 603493988 /nfs/dbraw/zinc/49/39/88/603493988.db2.gz GMWUHMRCHVRULW-UHFFFAOYSA-N -1 1 389.389 2.427 20 0 GEADMM CCN(CC1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1)C(=O)[O-] ZINC000827066852 603500451 /nfs/dbraw/zinc/50/04/51/603500451.db2.gz WGRNAOZQOZJZSH-UHFFFAOYSA-N -1 1 376.529 2.157 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3CNC(=O)[O-])n[nH]2)cc1OC ZINC000829233524 603530157 /nfs/dbraw/zinc/53/01/57/603530157.db2.gz CKMGQQIBJJUTPB-CYBMUJFWSA-N -1 1 388.424 2.356 20 0 GEADMM CN(C[C@@H]1CCCN1CC(=O)N1CCC(OCc2ccccc2)CC1)C(=O)[O-] ZINC000828223856 603580485 /nfs/dbraw/zinc/58/04/85/603580485.db2.gz QZBJTYFNPAWKCW-SFHVURJKSA-N -1 1 389.496 2.268 20 0 GEADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828235339 603588726 /nfs/dbraw/zinc/58/87/26/603588726.db2.gz GPKZDXOLTZCXKT-MJGOQNOKSA-N -1 1 387.480 2.256 20 0 GEADMM CC1CCC(N(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)CC1 ZINC000825880289 603593773 /nfs/dbraw/zinc/59/37/73/603593773.db2.gz KMZGYYPKPBQBOB-JHMODEIMSA-N -1 1 380.489 2.203 20 0 GEADMM CC(C)C[C@@H]1CCCN1CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000824226185 603596445 /nfs/dbraw/zinc/59/64/45/603596445.db2.gz ZOZXHXUNLHCMOR-VCBZYWHSSA-N -1 1 380.489 2.203 20 0 GEADMM CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OC[C@H]1CCN(C(=O)[O-])C1 ZINC000829692095 603622351 /nfs/dbraw/zinc/62/23/51/603622351.db2.gz WNLPZCCXTJMJKM-LBPRGKRZSA-N -1 1 392.433 2.368 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@@H](C)[C@H]2CNC(=O)[O-])c1OC ZINC000829556167 603718721 /nfs/dbraw/zinc/71/87/21/603718721.db2.gz JXWGGGAWDCFYIB-GDBMZVCRSA-N -1 1 393.484 2.030 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cn3ncc4ccccc43)cc2)n1 ZINC000832730915 603736620 /nfs/dbraw/zinc/73/66/20/603736620.db2.gz XGMIJINIPDTBOG-UHFFFAOYSA-N -1 1 391.391 2.228 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cn3ncc4ccccc43)cc2)n[nH]1 ZINC000832730915 603736621 /nfs/dbraw/zinc/73/66/21/603736621.db2.gz XGMIJINIPDTBOG-UHFFFAOYSA-N -1 1 391.391 2.228 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])N2CCCC2)o1 ZINC000830262594 603743154 /nfs/dbraw/zinc/74/31/54/603743154.db2.gz UUHHBHLCAUMTGI-XHSDSOJGSA-N -1 1 378.473 2.460 20 0 GEADMM Cc1ccc(CC[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000826287417 607650636 /nfs/dbraw/zinc/65/06/36/607650636.db2.gz OGSMDTQNBRZJOM-JTQLQIEISA-N -1 1 379.417 2.207 20 0 GEADMM Cc1ccc(CC[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000826287417 607650638 /nfs/dbraw/zinc/65/06/38/607650638.db2.gz OGSMDTQNBRZJOM-JTQLQIEISA-N -1 1 379.417 2.207 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829591103 603815564 /nfs/dbraw/zinc/81/55/64/603815564.db2.gz BAZMTCKVVWWFAG-BEFAXECRSA-N -1 1 379.432 2.040 20 0 GEADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[C@H](C)O1 ZINC000826050275 603861093 /nfs/dbraw/zinc/86/10/93/603861093.db2.gz VFGHHNGQZWJRII-SOXVBUEASA-N -1 1 393.528 2.398 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](c1ccco1)N1CCCC1)CC2 ZINC000831628428 603888271 /nfs/dbraw/zinc/88/82/71/603888271.db2.gz ROQUOIKACDVIKW-OWCLPIDISA-N -1 1 376.457 2.343 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829543391 603890596 /nfs/dbraw/zinc/89/05/96/603890596.db2.gz JLKVELFHHKIVDQ-UAGQMJEPSA-N -1 1 378.473 2.033 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])N(C)C)c1 ZINC000829543016 603890677 /nfs/dbraw/zinc/89/06/77/603890677.db2.gz CGYDCGWUHPZWPH-RDJZCZTQSA-N -1 1 378.473 2.082 20 0 GEADMM Cc1ccn2cc(C(=O)Nc3ccc(-c4nc(CNC(=O)[O-])n[nH]4)cc3)nc2c1 ZINC000830607520 603911470 /nfs/dbraw/zinc/91/14/70/603911470.db2.gz RKBNBHMJOAXCLM-UHFFFAOYSA-N -1 1 391.391 2.448 20 0 GEADMM Cc1ccn2cc(C(=O)Nc3ccc(-c4n[nH]c(CNC(=O)[O-])n4)cc3)nc2c1 ZINC000830607520 603911471 /nfs/dbraw/zinc/91/14/71/603911471.db2.gz RKBNBHMJOAXCLM-UHFFFAOYSA-N -1 1 391.391 2.448 20 0 GEADMM C[C@H](C(=O)Nc1ccc(-c2nnc(CNC(=O)[O-])[n-]2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000825872060 603912672 /nfs/dbraw/zinc/91/26/72/603912672.db2.gz KFHWGBDKARQJDV-FRRDWIJNSA-N -1 1 386.456 2.439 20 0 GEADMM Cc1noc(Cl)c1CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830924613 603913842 /nfs/dbraw/zinc/91/38/42/603913842.db2.gz IMJPRUQBANBFKT-UHFFFAOYSA-N -1 1 390.787 2.370 20 0 GEADMM Cc1noc(Cl)c1CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830924613 603913845 /nfs/dbraw/zinc/91/38/45/603913845.db2.gz IMJPRUQBANBFKT-UHFFFAOYSA-N -1 1 390.787 2.370 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@@H]1c1nccs1 ZINC000826495574 607660348 /nfs/dbraw/zinc/66/03/48/607660348.db2.gz UJJXQLDMVNOVPC-GFCCVEGCSA-N -1 1 394.457 2.378 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(Cc1ccccc1)CC(F)F ZINC000826495907 607662038 /nfs/dbraw/zinc/66/20/38/607662038.db2.gz GANVPYAPNSTUCQ-UHFFFAOYSA-N -1 1 397.382 2.462 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(Cc1ccccc1)CC(F)F ZINC000826495907 607662040 /nfs/dbraw/zinc/66/20/40/607662040.db2.gz GANVPYAPNSTUCQ-UHFFFAOYSA-N -1 1 397.382 2.462 20 0 GEADMM CCS[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825669428 607665268 /nfs/dbraw/zinc/66/52/68/607665268.db2.gz XTRZEKZXPGSLEE-NWDGAFQWSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825669428 607665270 /nfs/dbraw/zinc/66/52/70/607665270.db2.gz XTRZEKZXPGSLEE-NWDGAFQWSA-N -1 1 385.490 2.348 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827418804 604014296 /nfs/dbraw/zinc/01/42/96/604014296.db2.gz SDLXCWKSOKLHIM-GJZGRUSLSA-N -1 1 390.484 2.212 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828042801 604014707 /nfs/dbraw/zinc/01/47/07/604014707.db2.gz PZQYPKZYUWJYSH-SFESLNEESA-N -1 1 388.468 2.097 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000827419631 604014803 /nfs/dbraw/zinc/01/48/03/604014803.db2.gz YWFIRJIZNCVTHF-INIZCTEOSA-N -1 1 390.484 2.308 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000825220266 604038227 /nfs/dbraw/zinc/03/82/27/604038227.db2.gz SBNJNQHIERZZOG-JYJNAYRXSA-N -1 1 378.473 2.494 20 0 GEADMM CCOc1cc(C)ccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825616050 607669101 /nfs/dbraw/zinc/66/91/01/607669101.db2.gz UXAGXYIPACVRHD-UHFFFAOYSA-N -1 1 391.428 2.191 20 0 GEADMM CCO[C@H](C)c1nc(CN2CCN(C[C@@H]3CCN(C(=O)[O-])C3)CC2)cs1 ZINC000827362828 604059619 /nfs/dbraw/zinc/05/96/19/604059619.db2.gz UGGLLXQKYJKRSB-CABCVRRESA-N -1 1 382.530 2.358 20 0 GEADMM CCO[C@H](C)c1nc(CN2CCN(C[C@H]3CCN(C(=O)[O-])C3)CC2)cs1 ZINC000827362830 604059748 /nfs/dbraw/zinc/05/97/48/604059748.db2.gz UGGLLXQKYJKRSB-HUUCEWRRSA-N -1 1 382.530 2.358 20 0 GEADMM COc1ccc(CN(C(=O)CN2CCC[C@@H]2CN(C)C(=O)[O-])C2CC2)cc1 ZINC000829355307 604092283 /nfs/dbraw/zinc/09/22/83/604092283.db2.gz AIZLNMMRJBCQNN-QGZVFWFLSA-N -1 1 375.469 2.260 20 0 GEADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825889005 604102352 /nfs/dbraw/zinc/10/23/52/604102352.db2.gz SGKWARVLKMYXED-HPFXQQBRSA-N -1 1 383.533 2.455 20 0 GEADMM Cc1ccc(N2CC[C@H](N3CCC(OCCCNC(=O)[O-])CC3)C2=O)cc1 ZINC000830340077 604104120 /nfs/dbraw/zinc/10/41/20/604104120.db2.gz JDLLQVTZTRMYBU-SFHVURJKSA-N -1 1 375.469 2.239 20 0 GEADMM COCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000826155490 607672055 /nfs/dbraw/zinc/67/20/55/607672055.db2.gz RRNRZFIKQNGMRI-UHFFFAOYSA-N -1 1 399.904 2.395 20 0 GEADMM COCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000826155490 607672057 /nfs/dbraw/zinc/67/20/57/607672057.db2.gz RRNRZFIKQNGMRI-UHFFFAOYSA-N -1 1 399.904 2.395 20 0 GEADMM O=S(=O)([N-][C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1-c1nn[nH]n1 ZINC000826487700 607673932 /nfs/dbraw/zinc/67/39/32/607673932.db2.gz XGPCDNZZEKDFOY-CQSZACIVSA-N -1 1 397.382 2.319 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)CC1 ZINC000825287270 604143333 /nfs/dbraw/zinc/14/33/33/604143333.db2.gz ILJPHYBKPJHLBW-CQSZACIVSA-N -1 1 380.464 2.335 20 0 GEADMM CCC(CC)(CNC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)NC(=O)[O-] ZINC000826540607 604145368 /nfs/dbraw/zinc/14/53/68/604145368.db2.gz BKECUJCAUVPFMV-UHFFFAOYSA-N -1 1 378.408 2.236 20 0 GEADMM CCC(CC)(CNC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)NC(=O)[O-] ZINC000826540607 604145369 /nfs/dbraw/zinc/14/53/69/604145369.db2.gz BKECUJCAUVPFMV-UHFFFAOYSA-N -1 1 378.408 2.236 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000825254381 604161311 /nfs/dbraw/zinc/16/13/11/604161311.db2.gz MHAJNBUWCVUDAF-GJZGRUSLSA-N -1 1 384.480 2.421 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000825263795 604171844 /nfs/dbraw/zinc/17/18/44/604171844.db2.gz IGQHHIGYNDICIS-KGLIPLIRSA-N -1 1 390.509 2.323 20 0 GEADMM O=S(=O)(Oc1cccnc1F)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826494380 607677693 /nfs/dbraw/zinc/67/76/93/607677693.db2.gz ZQJSHFTVDUBQPN-UHFFFAOYSA-N -1 1 389.290 2.187 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000825256325 604223497 /nfs/dbraw/zinc/22/34/97/604223497.db2.gz WJMJMHKDYCMZDB-YXJHDRRASA-N -1 1 393.459 2.094 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000825229576 604232605 /nfs/dbraw/zinc/23/26/05/604232605.db2.gz ROSNDJOUQUAWRG-DGCLKSJQSA-N -1 1 390.419 2.189 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000825229576 604232611 /nfs/dbraw/zinc/23/26/11/604232611.db2.gz ROSNDJOUQUAWRG-DGCLKSJQSA-N -1 1 390.419 2.189 20 0 GEADMM C[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824686592 604296488 /nfs/dbraw/zinc/29/64/88/604296488.db2.gz RBEVECZXUYAVGT-JKSUJKDBSA-N -1 1 389.500 2.188 20 0 GEADMM COc1ccnc(N2CCN(C(=O)C[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000829649735 604340111 /nfs/dbraw/zinc/34/01/11/604340111.db2.gz KMAQWWFNAHQXAV-CVEARBPZSA-N -1 1 390.484 2.155 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)Nc3nc(CCC(=O)[O-])cs3)c2)CC1 ZINC000830954639 604344143 /nfs/dbraw/zinc/34/41/43/604344143.db2.gz BTPZCPCTTXULEC-UHFFFAOYSA-N -1 1 388.493 2.160 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000826058187 604422139 /nfs/dbraw/zinc/42/21/39/604422139.db2.gz MZGSTLSCNXKYMD-XHSDSOJGSA-N -1 1 392.500 2.314 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000824257796 604440049 /nfs/dbraw/zinc/44/00/49/604440049.db2.gz VPMWMKCMCKCESM-CRAIPNDOSA-N -1 1 392.500 2.171 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000833638612 604475167 /nfs/dbraw/zinc/47/51/67/604475167.db2.gz JRTYMKBZRZWFKB-YSVLISHTSA-N -1 1 385.468 2.224 20 0 GEADMM CC(C)N(CCC(=O)NCC(=O)[O-])Cc1nnc(-c2ccccc2Cl)o1 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ZINC000834029627 605520549 /nfs/dbraw/zinc/52/05/49/605520549.db2.gz VDHIFVFZZNEEFB-GDBMZVCRSA-N -1 1 386.452 2.298 20 0 GEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000834241148 605566443 /nfs/dbraw/zinc/56/64/43/605566443.db2.gz PBYQKKGVBGRRBJ-AWEZNQCLSA-N -1 1 380.514 2.397 20 0 GEADMM NC(=O)c1n[nH]c2ccc(NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)cc21 ZINC000833986997 605583317 /nfs/dbraw/zinc/58/33/17/605583317.db2.gz VZZUWVKXWNHHAL-CQSZACIVSA-N -1 1 381.392 2.389 20 0 GEADMM O=C([O-])N1CC[C@H](N(C(=O)NC[C@H](c2ccco2)N2CCCC2)C2CC2)C1 ZINC000831928282 605600692 /nfs/dbraw/zinc/60/06/92/605600692.db2.gz LAJPWCCPPOTLDY-JKSUJKDBSA-N -1 1 376.457 2.343 20 0 GEADMM O=C(COc1ccccc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])NCC1CC1 ZINC000834009678 605614911 /nfs/dbraw/zinc/61/49/11/605614911.db2.gz AOZZWTOAHOLMND-MSOLQXFVSA-N -1 1 387.480 2.308 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cn1 ZINC000833881257 605627408 /nfs/dbraw/zinc/62/74/08/605627408.db2.gz XYWRFEQCEOCOJL-UHFFFAOYSA-N -1 1 391.405 2.100 20 0 GEADMM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NCCNC(=O)c1ccco1)c1ccccc1O2 ZINC000834042629 605629327 /nfs/dbraw/zinc/62/93/27/605629327.db2.gz ZVCNAXALSDJTKK-QRWLVFNGSA-N -1 1 385.420 2.245 20 0 GEADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc3ccsc32)c1-c1nnn[n-]1 ZINC000826396104 607768144 /nfs/dbraw/zinc/76/81/44/607768144.db2.gz HFTFSKADLBNICQ-UHFFFAOYSA-N -1 1 383.441 2.141 20 0 GEADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc3ccsc32)c1-c1nn[n-]n1 ZINC000826396104 607768145 /nfs/dbraw/zinc/76/81/45/607768145.db2.gz HFTFSKADLBNICQ-UHFFFAOYSA-N -1 1 383.441 2.141 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000833817724 605669480 /nfs/dbraw/zinc/66/94/80/605669480.db2.gz ONXTVYGFBGHEBP-HRCADAONSA-N -1 1 378.473 2.494 20 0 GEADMM O=C([O-])Nc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000834254589 605683799 /nfs/dbraw/zinc/68/37/99/605683799.db2.gz AGLSIGRHHUJARJ-HKUYNNGSSA-N -1 1 383.448 2.389 20 0 GEADMM CCN(CCCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000833859110 605712675 /nfs/dbraw/zinc/71/26/75/605712675.db2.gz ZYYXRGCEZSPRCT-OAHLLOKOSA-N -1 1 377.489 2.296 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)cc1Cl ZINC000833880658 605789188 /nfs/dbraw/zinc/78/91/88/605789188.db2.gz LMFSBGZHNHHRRU-UHFFFAOYSA-N -1 1 385.785 2.412 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833790093 605899303 /nfs/dbraw/zinc/89/93/03/605899303.db2.gz MJXGUYDXGKZWPC-CYBMUJFWSA-N -1 1 375.425 2.208 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833830085 605907070 /nfs/dbraw/zinc/90/70/70/605907070.db2.gz JMBLWWYFPKDNHC-RDBSUJKOSA-N -1 1 377.441 2.153 20 0 GEADMM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000833828619 606038293 /nfs/dbraw/zinc/03/82/93/606038293.db2.gz PFOXIRYIVZVMQX-GJZGRUSLSA-N -1 1 388.468 2.215 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccco3)N3CCCC3)C[C@@H]21 ZINC000834176932 606073567 /nfs/dbraw/zinc/07/35/67/606073567.db2.gz RJDZMCUFVHEINE-YYIAUSFCSA-N -1 1 390.484 2.494 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1csc(N(C)C)n1 ZINC000822540391 606124482 /nfs/dbraw/zinc/12/44/82/606124482.db2.gz ADEKNZCHTLJFCM-UHFFFAOYSA-N -1 1 398.452 2.011 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1csc(N(C)C)n1 ZINC000822540391 606124483 /nfs/dbraw/zinc/12/44/83/606124483.db2.gz ADEKNZCHTLJFCM-UHFFFAOYSA-N -1 1 398.452 2.011 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccccc1OC(F)F ZINC000823027392 606135042 /nfs/dbraw/zinc/13/50/42/606135042.db2.gz SVKMIWGMXZUSFX-UHFFFAOYSA-N -1 1 395.347 2.325 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccccc1OC(F)F ZINC000823027392 606135043 /nfs/dbraw/zinc/13/50/43/606135043.db2.gz SVKMIWGMXZUSFX-UHFFFAOYSA-N -1 1 395.347 2.325 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820507640 606135389 /nfs/dbraw/zinc/13/53/89/606135389.db2.gz JAOCOAMUWRXACC-QWRGUYRKSA-N -1 1 383.433 2.451 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820507640 606135391 /nfs/dbraw/zinc/13/53/91/606135391.db2.gz JAOCOAMUWRXACC-QWRGUYRKSA-N -1 1 383.433 2.451 20 0 GEADMM CCc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821481572 606137794 /nfs/dbraw/zinc/13/77/94/606137794.db2.gz LGOJUEOAPFENRV-UHFFFAOYSA-N -1 1 385.449 2.306 20 0 GEADMM CCc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821481572 606137795 /nfs/dbraw/zinc/13/77/95/606137795.db2.gz LGOJUEOAPFENRV-UHFFFAOYSA-N -1 1 385.449 2.306 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@]2(CCCOC2)C1 ZINC000823600552 606146808 /nfs/dbraw/zinc/14/68/08/606146808.db2.gz IDZPYYGYVOTTJR-MRXNPFEDSA-N -1 1 397.888 2.101 20 0 GEADMM Cc1nc([C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)sc1C ZINC000822436037 606158620 /nfs/dbraw/zinc/15/86/20/606158620.db2.gz GCHZRDGLVJPPGP-NSHDSACASA-N -1 1 387.473 2.085 20 0 GEADMM Cc1nc([C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)sc1C ZINC000822436037 606158622 /nfs/dbraw/zinc/15/86/22/606158622.db2.gz GCHZRDGLVJPPGP-NSHDSACASA-N -1 1 387.473 2.085 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000821083266 606162025 /nfs/dbraw/zinc/16/20/25/606162025.db2.gz WOTIYUJWZCKRBH-OLZOCXBDSA-N -1 1 376.465 2.048 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000821083266 606162027 /nfs/dbraw/zinc/16/20/27/606162027.db2.gz WOTIYUJWZCKRBH-OLZOCXBDSA-N -1 1 376.465 2.048 20 0 GEADMM Fc1cc(Cl)cnc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822748165 606183306 /nfs/dbraw/zinc/18/33/06/606183306.db2.gz KXBGWDAMTYTCOH-UHFFFAOYSA-N -1 1 390.810 2.246 20 0 GEADMM COc1ccc(-n2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])n2)cc1 ZINC000821770414 606194910 /nfs/dbraw/zinc/19/49/10/606194910.db2.gz SQUNCYYWUDXZFH-UHFFFAOYSA-N -1 1 377.364 2.019 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C[C@@H](C)O2 ZINC000822280369 606202122 /nfs/dbraw/zinc/20/21/22/606202122.db2.gz LIYDSTTXTYNIKK-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C[C@@H](C)O2 ZINC000822280369 606202124 /nfs/dbraw/zinc/20/21/24/606202124.db2.gz LIYDSTTXTYNIKK-LLVKDONJSA-N -1 1 389.412 2.290 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCSC2(CCCCC2)C1 ZINC000823601077 606202970 /nfs/dbraw/zinc/20/29/70/606202970.db2.gz PYICOPACFBPEEE-UHFFFAOYSA-N -1 1 397.501 2.446 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)c1ccccc1 ZINC000822535191 606204212 /nfs/dbraw/zinc/20/42/12/606204212.db2.gz JDAKZDUMUPSQDA-CQSZACIVSA-N -1 1 378.392 2.022 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)c1ccccc1 ZINC000822535191 606204214 /nfs/dbraw/zinc/20/42/14/606204214.db2.gz JDAKZDUMUPSQDA-CQSZACIVSA-N -1 1 378.392 2.022 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)c(=O)[n-]1 ZINC000821990019 606266565 /nfs/dbraw/zinc/26/65/65/606266565.db2.gz OUDMFKIPYARWJQ-UHFFFAOYSA-N -1 1 389.416 2.103 20 0 GEADMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1sccc1-c1nn[nH]n1 ZINC000823383117 606327251 /nfs/dbraw/zinc/32/72/51/606327251.db2.gz LYCNUEGNOWHPRV-UHFFFAOYSA-N -1 1 386.828 2.474 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000822535484 606327332 /nfs/dbraw/zinc/32/73/32/606327332.db2.gz SZBCWRODULPJPB-DJJJIMSYSA-N -1 1 384.440 2.230 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000822535484 606327334 /nfs/dbraw/zinc/32/73/34/606327334.db2.gz SZBCWRODULPJPB-DJJJIMSYSA-N -1 1 384.440 2.230 20 0 GEADMM CC(C)(C)C(=O)CSCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000819891575 606332093 /nfs/dbraw/zinc/33/20/93/606332093.db2.gz BFFVCJKSWWTMCN-UHFFFAOYSA-N -1 1 399.480 2.339 20 0 GEADMM CC(C)(C)C(=O)CSCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000819891575 606332095 /nfs/dbraw/zinc/33/20/95/606332095.db2.gz BFFVCJKSWWTMCN-UHFFFAOYSA-N -1 1 399.480 2.339 20 0 GEADMM CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821455816 606332867 /nfs/dbraw/zinc/33/28/67/606332867.db2.gz LXOJNOGVHPDSGQ-GHMZBOCLSA-N -1 1 387.918 2.473 20 0 GEADMM CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821455816 606332869 /nfs/dbraw/zinc/33/28/69/606332869.db2.gz LXOJNOGVHPDSGQ-GHMZBOCLSA-N -1 1 387.918 2.473 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCCSC2)c1-c1nn[n-]n1 ZINC000821988627 606364667 /nfs/dbraw/zinc/36/46/67/606364667.db2.gz FRGCGPUMKPHYBU-SNVBAGLBSA-N -1 1 376.511 2.486 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cc(C)c(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000822183436 606380904 /nfs/dbraw/zinc/38/09/04/606380904.db2.gz GQQPPISGUNFGDO-UHFFFAOYSA-N -1 1 391.334 2.459 20 0 GEADMM C[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820726947 606434879 /nfs/dbraw/zinc/43/48/79/606434879.db2.gz DOQNZFCITYZZMG-DTWKUNHWSA-N -1 1 375.376 2.305 20 0 GEADMM Cc1cc(-c2cccc(F)c2)nnc1NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822128465 606441821 /nfs/dbraw/zinc/44/18/21/606441821.db2.gz CRKFZFCRSDBIHI-UHFFFAOYSA-N -1 1 394.418 2.121 20 0 GEADMM Cc1cc(-c2cccc(F)c2)nnc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822128465 606441822 /nfs/dbraw/zinc/44/18/22/606441822.db2.gz CRKFZFCRSDBIHI-UHFFFAOYSA-N -1 1 394.418 2.121 20 0 GEADMM CC(C)(C)c1nccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000819966133 606451262 /nfs/dbraw/zinc/45/12/62/606451262.db2.gz XKLQHVOLJMDQSR-UHFFFAOYSA-N -1 1 395.471 2.146 20 0 GEADMM NC(=O)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1Cl ZINC000822850844 606465661 /nfs/dbraw/zinc/46/56/61/606465661.db2.gz RVBIPZIFVCBTES-JTQLQIEISA-N -1 1 392.250 2.325 20 0 GEADMM NC(=O)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1Cl ZINC000822850844 606465662 /nfs/dbraw/zinc/46/56/62/606465662.db2.gz RVBIPZIFVCBTES-JTQLQIEISA-N -1 1 392.250 2.325 20 0 GEADMM COc1cc(OC)c(OC)cc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821724341 606489296 /nfs/dbraw/zinc/48/92/96/606489296.db2.gz SUICJQANFMWJPA-UHFFFAOYSA-N -1 1 376.394 2.311 20 0 GEADMM COc1cc(OC)c(OC)cc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821724341 606489294 /nfs/dbraw/zinc/48/92/94/606489294.db2.gz SUICJQANFMWJPA-UHFFFAOYSA-N -1 1 376.394 2.311 20 0 GEADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821708666 606511696 /nfs/dbraw/zinc/51/16/96/606511696.db2.gz VNRKMKFMEZZACR-SECBINFHSA-N -1 1 389.437 2.445 20 0 GEADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821708666 606511698 /nfs/dbraw/zinc/51/16/98/606511698.db2.gz VNRKMKFMEZZACR-SECBINFHSA-N -1 1 389.437 2.445 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822486526 606518691 /nfs/dbraw/zinc/51/86/91/606518691.db2.gz NCVJSASXTJZNHQ-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822486526 606518693 /nfs/dbraw/zinc/51/86/93/606518693.db2.gz NCVJSASXTJZNHQ-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000823483251 606519227 /nfs/dbraw/zinc/51/92/27/606519227.db2.gz FYRULUAONLMTAQ-DAXSKMNVSA-N -1 1 380.477 2.399 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000823483251 606519229 /nfs/dbraw/zinc/51/92/29/606519229.db2.gz FYRULUAONLMTAQ-DAXSKMNVSA-N -1 1 380.477 2.399 20 0 GEADMM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000822284086 606523531 /nfs/dbraw/zinc/52/35/31/606523531.db2.gz JBDQHJWDPPZKDD-UHFFFAOYSA-N -1 1 396.476 2.225 20 0 GEADMM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000822284086 606523532 /nfs/dbraw/zinc/52/35/32/606523532.db2.gz JBDQHJWDPPZKDD-UHFFFAOYSA-N -1 1 396.476 2.225 20 0 GEADMM CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819933176 606528801 /nfs/dbraw/zinc/52/88/01/606528801.db2.gz IRBLDVRBEIOXOX-UHFFFAOYSA-N -1 1 378.458 2.011 20 0 GEADMM CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819933176 606528802 /nfs/dbraw/zinc/52/88/02/606528802.db2.gz IRBLDVRBEIOXOX-UHFFFAOYSA-N -1 1 378.458 2.011 20 0 GEADMM CCCCCCN(CCN1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821056720 606534273 /nfs/dbraw/zinc/53/42/73/606534273.db2.gz WZVJRTCJGIWXQV-UHFFFAOYSA-N -1 1 392.529 2.283 20 0 GEADMM CCCCCCN(CCN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821056720 606534275 /nfs/dbraw/zinc/53/42/75/606534275.db2.gz WZVJRTCJGIWXQV-UHFFFAOYSA-N -1 1 392.529 2.283 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821572290 606544343 /nfs/dbraw/zinc/54/43/43/606544343.db2.gz YTJMGSISPSVNQA-LLVKDONJSA-N -1 1 392.485 2.400 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821572290 606544345 /nfs/dbraw/zinc/54/43/45/606544345.db2.gz YTJMGSISPSVNQA-LLVKDONJSA-N -1 1 392.485 2.400 20 0 GEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000821573424 606547320 /nfs/dbraw/zinc/54/73/20/606547320.db2.gz PQZHWGIHZNPBLK-UHFFFAOYSA-N -1 1 396.476 2.305 20 0 GEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000821573424 606547322 /nfs/dbraw/zinc/54/73/22/606547322.db2.gz PQZHWGIHZNPBLK-UHFFFAOYSA-N -1 1 396.476 2.305 20 0 GEADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)Oc1ccccc1 ZINC000823149388 606547992 /nfs/dbraw/zinc/54/79/92/606547992.db2.gz AJZZFIMIDLLCCQ-UHFFFAOYSA-N -1 1 398.448 2.321 20 0 GEADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)Oc1ccccc1 ZINC000823149388 606547994 /nfs/dbraw/zinc/54/79/94/606547994.db2.gz AJZZFIMIDLLCCQ-UHFFFAOYSA-N -1 1 398.448 2.321 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000822458114 606552750 /nfs/dbraw/zinc/55/27/50/606552750.db2.gz CUIAVYSWZLLPAJ-CYBMUJFWSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000822458114 606552751 /nfs/dbraw/zinc/55/27/51/606552751.db2.gz CUIAVYSWZLLPAJ-CYBMUJFWSA-N -1 1 382.472 2.106 20 0 GEADMM O=C(CCCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)OCc1ccccc1 ZINC000822955178 606554107 /nfs/dbraw/zinc/55/41/07/606554107.db2.gz LAAKFYNNOOCJPS-UHFFFAOYSA-N -1 1 394.435 2.295 20 0 GEADMM O=C(CCCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)OCc1ccccc1 ZINC000822955178 606554109 /nfs/dbraw/zinc/55/41/09/606554109.db2.gz LAAKFYNNOOCJPS-UHFFFAOYSA-N -1 1 394.435 2.295 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933097 606554460 /nfs/dbraw/zinc/55/44/60/606554460.db2.gz FSKSTXYOSNANIZ-LLVKDONJSA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933097 606554461 /nfs/dbraw/zinc/55/44/61/606554461.db2.gz FSKSTXYOSNANIZ-LLVKDONJSA-N -1 1 392.485 2.305 20 0 GEADMM O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823155461 606556111 /nfs/dbraw/zinc/55/61/11/606556111.db2.gz SVMBIFDIIFOQHD-JTQLQIEISA-N -1 1 376.392 2.215 20 0 GEADMM O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823155461 606556112 /nfs/dbraw/zinc/55/61/12/606556112.db2.gz SVMBIFDIIFOQHD-JTQLQIEISA-N -1 1 376.392 2.215 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000823488333 606576749 /nfs/dbraw/zinc/57/67/49/606576749.db2.gz LPQQAHHTXJDGIK-UHFFFAOYSA-N -1 1 396.432 2.083 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000823488333 606576751 /nfs/dbraw/zinc/57/67/51/606576751.db2.gz LPQQAHHTXJDGIK-UHFFFAOYSA-N -1 1 396.432 2.083 20 0 GEADMM CCN(C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1)CC(F)(F)F ZINC000821197400 606581898 /nfs/dbraw/zinc/58/18/98/606581898.db2.gz KHVGUWJJQQMCKW-JTQLQIEISA-N -1 1 388.419 2.275 20 0 GEADMM CCN(C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1)CC(F)(F)F ZINC000821197400 606581899 /nfs/dbraw/zinc/58/18/99/606581899.db2.gz KHVGUWJJQQMCKW-JTQLQIEISA-N -1 1 388.419 2.275 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000820379984 606595779 /nfs/dbraw/zinc/59/57/79/606595779.db2.gz JMTJJGLXAQQIFP-QMMMGPOBSA-N -1 1 391.233 2.245 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000820379984 606595780 /nfs/dbraw/zinc/59/57/80/606595780.db2.gz JMTJJGLXAQQIFP-QMMMGPOBSA-N -1 1 391.233 2.245 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-n3cccc3)nc2)n1 ZINC000819971110 606603414 /nfs/dbraw/zinc/60/34/14/606603414.db2.gz DFRFZNLEFZLHBH-UHFFFAOYSA-N -1 1 377.412 2.256 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-n3cccc3)nc2)n1 ZINC000819971110 606603415 /nfs/dbraw/zinc/60/34/15/606603415.db2.gz DFRFZNLEFZLHBH-UHFFFAOYSA-N -1 1 377.412 2.256 20 0 GEADMM CC(C)(C)c1cc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)on1 ZINC000819959057 606607312 /nfs/dbraw/zinc/60/73/12/606607312.db2.gz WRIPGXBGOSVUAA-UHFFFAOYSA-N -1 1 393.407 2.106 20 0 GEADMM COc1cc(CC2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)cc(OC)c1 ZINC000821713445 606640982 /nfs/dbraw/zinc/64/09/82/606640982.db2.gz XWOCMIKIIURSFQ-UHFFFAOYSA-N -1 1 385.449 2.260 20 0 GEADMM COc1cc(CC2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)cc(OC)c1 ZINC000821713445 606640983 /nfs/dbraw/zinc/64/09/83/606640983.db2.gz XWOCMIKIIURSFQ-UHFFFAOYSA-N -1 1 385.449 2.260 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC(Cc3cccc(C)c3)C2)cc1-c1nn[n-]n1 ZINC000821970642 606642891 /nfs/dbraw/zinc/64/28/91/606642891.db2.gz PRWAAEIUBVGARB-UHFFFAOYSA-N -1 1 396.476 2.312 20 0 GEADMM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819976571 606647022 /nfs/dbraw/zinc/64/70/22/606647022.db2.gz XOGJWWRZFBLVIG-UHFFFAOYSA-N -1 1 390.444 2.388 20 0 GEADMM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819976571 606647023 /nfs/dbraw/zinc/64/70/23/606647023.db2.gz XOGJWWRZFBLVIG-UHFFFAOYSA-N -1 1 390.444 2.388 20 0 GEADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000820668999 606647900 /nfs/dbraw/zinc/64/79/00/606647900.db2.gz YJGRAOULCFPBNL-NHYWBVRUSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000820668999 606647901 /nfs/dbraw/zinc/64/79/01/606647901.db2.gz YJGRAOULCFPBNL-NHYWBVRUSA-N -1 1 378.392 2.213 20 0 GEADMM CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820012243 606649474 /nfs/dbraw/zinc/64/94/74/606649474.db2.gz XBIBVSMAZAJAQA-UHFFFAOYSA-N -1 1 394.435 2.233 20 0 GEADMM CC(C)C(=O)N(C)Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820012243 606649475 /nfs/dbraw/zinc/64/94/75/606649475.db2.gz XBIBVSMAZAJAQA-UHFFFAOYSA-N -1 1 394.435 2.233 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000823430895 606653049 /nfs/dbraw/zinc/65/30/49/606653049.db2.gz LEAMWVVOSKVIKE-UHFFFAOYSA-N -1 1 383.383 2.192 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000823430895 606653050 /nfs/dbraw/zinc/65/30/50/606653050.db2.gz LEAMWVVOSKVIKE-UHFFFAOYSA-N -1 1 383.383 2.192 20 0 GEADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)c1cccc(OCc2ccccc2)c1 ZINC000823690416 606723784 /nfs/dbraw/zinc/72/37/84/606723784.db2.gz OKAUBDAZFZYXEI-KRWDZBQOSA-N -1 1 389.419 2.381 20 0 GEADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)c1cccc(OCc2ccccc2)c1 ZINC000823690416 606723785 /nfs/dbraw/zinc/72/37/85/606723785.db2.gz OKAUBDAZFZYXEI-KRWDZBQOSA-N -1 1 389.419 2.381 20 0 GEADMM CCOc1cccc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000821431560 606738864 /nfs/dbraw/zinc/73/88/64/606738864.db2.gz VRAGBHVULDJVQX-UHFFFAOYSA-N -1 1 398.423 2.054 20 0 GEADMM C[C@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820635249 606744271 /nfs/dbraw/zinc/74/42/71/606744271.db2.gz LBNJWWFEHZLUIY-SFHVURJKSA-N -1 1 387.440 2.358 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H]1Cc2ccccc2O1 ZINC000822010031 606758938 /nfs/dbraw/zinc/75/89/38/606758938.db2.gz KTYMZNOFQOEQKV-AWEZNQCLSA-N -1 1 395.419 2.064 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000820769306 606764949 /nfs/dbraw/zinc/76/49/49/606764949.db2.gz SEAVHAVEPOAAEN-VIFPVBQESA-N -1 1 393.375 2.121 20 0 GEADMM Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822280647 606765381 /nfs/dbraw/zinc/76/53/81/606765381.db2.gz UXJGWJWCAFOTNY-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000822153994 606779188 /nfs/dbraw/zinc/77/91/88/606779188.db2.gz RVAHJRLCCURCDW-UHFFFAOYSA-N -1 1 375.458 2.288 20 0 GEADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000821077925 606783704 /nfs/dbraw/zinc/78/37/04/606783704.db2.gz XEXMQALYVXDRRN-CYBMUJFWSA-N -1 1 399.528 2.167 20 0 GEADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000821077925 606783705 /nfs/dbraw/zinc/78/37/05/606783705.db2.gz XEXMQALYVXDRRN-CYBMUJFWSA-N -1 1 399.528 2.167 20 0 GEADMM COc1cc(OC)cc(N2CC[C@@H](CNc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000821724090 606804838 /nfs/dbraw/zinc/80/48/38/606804838.db2.gz PRKHONAUNMBYPA-ZDUSSCGKSA-N -1 1 381.440 2.217 20 0 GEADMM COc1cc(OC)cc(N2CC[C@@H](CNc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000821724090 606804839 /nfs/dbraw/zinc/80/48/39/606804839.db2.gz PRKHONAUNMBYPA-ZDUSSCGKSA-N -1 1 381.440 2.217 20 0 GEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820733043 606805121 /nfs/dbraw/zinc/80/51/21/606805121.db2.gz CIBGNLRQZMPYGW-WFASDCNBSA-N -1 1 377.452 2.474 20 0 GEADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820733043 606805123 /nfs/dbraw/zinc/80/51/23/606805123.db2.gz CIBGNLRQZMPYGW-WFASDCNBSA-N -1 1 377.452 2.474 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCCC1 ZINC000820220331 606821447 /nfs/dbraw/zinc/82/14/47/606821447.db2.gz QZCBICRUTYXKHS-LSDHHAIUSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCCC1 ZINC000820220331 606821450 /nfs/dbraw/zinc/82/14/50/606821450.db2.gz QZCBICRUTYXKHS-LSDHHAIUSA-N -1 1 398.515 2.300 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2CO)c1-c1nn[n-]n1 ZINC000821990296 606822263 /nfs/dbraw/zinc/82/22/63/606822263.db2.gz QWKRCXCWVGSXBQ-UHFFFAOYSA-N -1 1 396.476 2.283 20 0 GEADMM O=C(NCC1(CO)CC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823170797 606824673 /nfs/dbraw/zinc/82/46/73/606824673.db2.gz IOQUSNYRIIIGHQ-UHFFFAOYSA-N -1 1 383.383 2.300 20 0 GEADMM O=C(NCC1(CO)CC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823170797 606824674 /nfs/dbraw/zinc/82/46/74/606824674.db2.gz IOQUSNYRIIIGHQ-UHFFFAOYSA-N -1 1 383.383 2.300 20 0 GEADMM Cc1cccc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822293747 606833786 /nfs/dbraw/zinc/83/37/86/606833786.db2.gz KDCKPGCFTSWCCS-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1cccc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822293747 606833788 /nfs/dbraw/zinc/83/37/88/606833788.db2.gz KDCKPGCFTSWCCS-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821310295 606834328 /nfs/dbraw/zinc/83/43/28/606834328.db2.gz YLQYNAGLCJCOGN-UHFFFAOYSA-N -1 1 381.396 2.123 20 0 GEADMM CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821310295 606834329 /nfs/dbraw/zinc/83/43/29/606834329.db2.gz YLQYNAGLCJCOGN-UHFFFAOYSA-N -1 1 381.396 2.123 20 0 GEADMM C[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820254528 606843178 /nfs/dbraw/zinc/84/31/78/606843178.db2.gz QNZIOIHCGXIFDB-LBPRGKRZSA-N -1 1 375.429 2.430 20 0 GEADMM CN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821592801 606843866 /nfs/dbraw/zinc/84/38/66/606843866.db2.gz WFTSNXMODYQQLQ-HNNXBMFYSA-N -1 1 387.440 2.184 20 0 GEADMM CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821592802 606844029 /nfs/dbraw/zinc/84/40/29/606844029.db2.gz WFTSNXMODYQQLQ-OAHLLOKOSA-N -1 1 387.440 2.184 20 0 GEADMM C[C@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820635231 606844576 /nfs/dbraw/zinc/84/45/76/606844576.db2.gz KPFCSFHSPMNBON-SFHVURJKSA-N -1 1 387.440 2.358 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccn(-c3ccccc3)n2)n1 ZINC000819971275 606849347 /nfs/dbraw/zinc/84/93/47/606849347.db2.gz GQUALMBSCXZCMZ-UHFFFAOYSA-N -1 1 391.439 2.185 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccn(-c3ccccc3)n2)n1 ZINC000819971275 606849349 /nfs/dbraw/zinc/84/93/49/606849349.db2.gz GQUALMBSCXZCMZ-UHFFFAOYSA-N -1 1 391.439 2.185 20 0 GEADMM CCCCCC(C)(C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821042540 606855894 /nfs/dbraw/zinc/85/58/94/606855894.db2.gz DPFGOGYBKDHYQZ-CQSZACIVSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCCC(C)(C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821042540 606855896 /nfs/dbraw/zinc/85/58/96/606855896.db2.gz DPFGOGYBKDHYQZ-CQSZACIVSA-N -1 1 386.504 2.300 20 0 GEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@@H](C)CS(C)(=O)=O)n1 ZINC000822191336 606873394 /nfs/dbraw/zinc/87/33/94/606873394.db2.gz IUFKMKRYOHKKEN-SSDOTTSWSA-N -1 1 395.432 2.362 20 0 GEADMM COc1cc(OC)cc(OCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821727521 606881023 /nfs/dbraw/zinc/88/10/23/606881023.db2.gz JJWLQVXHRCNXTI-UHFFFAOYSA-N -1 1 376.804 2.423 20 0 GEADMM COc1cc(OC)cc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821727521 606881025 /nfs/dbraw/zinc/88/10/25/606881025.db2.gz JJWLQVXHRCNXTI-UHFFFAOYSA-N -1 1 376.804 2.423 20 0 GEADMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000821778025 606889108 /nfs/dbraw/zinc/88/91/08/606889108.db2.gz RWLUWQQYVKKBJD-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccnn1CC1CC1 ZINC000822542510 606938784 /nfs/dbraw/zinc/93/87/84/606938784.db2.gz YFCKCVCXMKSPBL-UHFFFAOYSA-N -1 1 378.396 2.418 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccnn1CC1CC1 ZINC000822542510 606938786 /nfs/dbraw/zinc/93/87/86/606938786.db2.gz YFCKCVCXMKSPBL-UHFFFAOYSA-N -1 1 378.396 2.418 20 0 GEADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000822946464 606955257 /nfs/dbraw/zinc/95/52/57/606955257.db2.gz XXIHNJBVIBTWAC-CYBMUJFWSA-N -1 1 383.433 2.042 20 0 GEADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822946464 606955259 /nfs/dbraw/zinc/95/52/59/606955259.db2.gz XXIHNJBVIBTWAC-CYBMUJFWSA-N -1 1 383.433 2.042 20 0 GEADMM Cc1cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Br ZINC000822211998 607008652 /nfs/dbraw/zinc/00/86/52/607008652.db2.gz XQVZMAQZZQHRBG-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM Cc1cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Br ZINC000822211998 607008653 /nfs/dbraw/zinc/00/86/53/607008653.db2.gz XQVZMAQZZQHRBG-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM COc1ccc(C)cc1CSCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000821782502 607016906 /nfs/dbraw/zinc/01/69/06/607016906.db2.gz GICXZZPZJBXYOV-UHFFFAOYSA-N -1 1 383.437 2.365 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(I)c1 ZINC000823383281 607025471 /nfs/dbraw/zinc/02/54/71/607025471.db2.gz OYEQIOGZXMSKCX-UHFFFAOYSA-N -1 1 398.189 2.180 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(I)c1 ZINC000823383281 607025473 /nfs/dbraw/zinc/02/54/73/607025473.db2.gz OYEQIOGZXMSKCX-UHFFFAOYSA-N -1 1 398.189 2.180 20 0 GEADMM COc1cccc([C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000821863908 607040091 /nfs/dbraw/zinc/04/00/91/607040091.db2.gz QTWGVKQHSWPUTL-QGZVFWFLSA-N -1 1 389.419 2.396 20 0 GEADMM COc1cccc([C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000821863908 607040093 /nfs/dbraw/zinc/04/00/93/607040093.db2.gz QTWGVKQHSWPUTL-QGZVFWFLSA-N -1 1 389.419 2.396 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCCc3c[nH]nc32)c1-c1nn[n-]n1 ZINC000821990933 607097023 /nfs/dbraw/zinc/09/70/23/607097023.db2.gz ZMHNGSGCNOCZEO-GFCCVEGCSA-N -1 1 396.480 2.392 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000822535166 607097398 /nfs/dbraw/zinc/09/73/98/607097398.db2.gz ILRBXLKTSLULCB-LBPRGKRZSA-N -1 1 378.396 2.089 20 0 GEADMM O=C(Cc1ccc(F)c(Br)c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823082800 607107177 /nfs/dbraw/zinc/10/71/77/607107177.db2.gz QPLIZKSRZGACPZ-UHFFFAOYSA-N -1 1 383.206 2.406 20 0 GEADMM O=C(Cc1ccc(F)c(Br)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823082800 607107179 /nfs/dbraw/zinc/10/71/79/607107179.db2.gz QPLIZKSRZGACPZ-UHFFFAOYSA-N -1 1 383.206 2.406 20 0 GEADMM CN(C)c1nc2sc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2s1 ZINC000821591058 607107992 /nfs/dbraw/zinc/10/79/92/607107992.db2.gz SPQZWBMAYDOBAW-UHFFFAOYSA-N -1 1 378.468 2.313 20 0 GEADMM CN(C)c1nc2sc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2s1 ZINC000821591058 607107993 /nfs/dbraw/zinc/10/79/93/607107993.db2.gz SPQZWBMAYDOBAW-UHFFFAOYSA-N -1 1 378.468 2.313 20 0 GEADMM COc1cc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cc(OC)c1OC ZINC000821703162 607145627 /nfs/dbraw/zinc/14/56/27/607145627.db2.gz RTDSKVITJLYHEN-UHFFFAOYSA-N -1 1 381.352 2.005 20 0 GEADMM COc1cc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cc(OC)c1OC ZINC000821703162 607145629 /nfs/dbraw/zinc/14/56/29/607145629.db2.gz RTDSKVITJLYHEN-UHFFFAOYSA-N -1 1 381.352 2.005 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1-c1nn[n-]n1 ZINC000821976421 607162727 /nfs/dbraw/zinc/16/27/27/607162727.db2.gz ARGQQHUIFHFPSL-KCPJHIHWSA-N -1 1 394.460 2.005 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000823135954 607211024 /nfs/dbraw/zinc/21/10/24/607211024.db2.gz CBTIYAUQHHBOIK-UHFFFAOYSA-N -1 1 388.819 2.072 20 0 GEADMM Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000822352413 607216840 /nfs/dbraw/zinc/21/68/40/607216840.db2.gz ZCAKZRPKQOSHPN-DDUZABMNSA-N -1 1 394.483 2.450 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000821882463 607228288 /nfs/dbraw/zinc/22/82/88/607228288.db2.gz BNYSWYISRMBLRI-QGZVFWFLSA-N -1 1 376.376 2.383 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC000821882463 607228289 /nfs/dbraw/zinc/22/82/89/607228289.db2.gz BNYSWYISRMBLRI-QGZVFWFLSA-N -1 1 376.376 2.383 20 0 GEADMM COc1ccc(CCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826191338 607827260 /nfs/dbraw/zinc/82/72/60/607827260.db2.gz DDACGAOYQNBUCY-UHFFFAOYSA-N -1 1 383.408 2.345 20 0 GEADMM COc1ccc(CCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826191338 607827261 /nfs/dbraw/zinc/82/72/61/607827261.db2.gz DDACGAOYQNBUCY-UHFFFAOYSA-N -1 1 383.408 2.345 20 0 GEADMM Cc1cnc(CCN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826318250 607853013 /nfs/dbraw/zinc/85/30/13/607853013.db2.gz ACGWQJSYXWALBX-UHFFFAOYSA-N -1 1 398.901 2.148 20 0 GEADMM Cc1cnc(CCN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826318250 607853014 /nfs/dbraw/zinc/85/30/14/607853014.db2.gz ACGWQJSYXWALBX-UHFFFAOYSA-N -1 1 398.901 2.148 20 0 GEADMM CCOC(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825560010 607865044 /nfs/dbraw/zinc/86/50/44/607865044.db2.gz MPOARMAQADJLCA-UHFFFAOYSA-N -1 1 385.355 2.200 20 0 GEADMM CCOC(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825560010 607865045 /nfs/dbraw/zinc/86/50/45/607865045.db2.gz MPOARMAQADJLCA-UHFFFAOYSA-N -1 1 385.355 2.200 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCCOc1ccccc1F ZINC000826418435 607865605 /nfs/dbraw/zinc/86/56/05/607865605.db2.gz GXSGEQUMQFTIET-UHFFFAOYSA-N -1 1 389.362 2.109 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCCOc1ccccc1F ZINC000826418435 607865606 /nfs/dbraw/zinc/86/56/06/607865606.db2.gz GXSGEQUMQFTIET-UHFFFAOYSA-N -1 1 389.362 2.109 20 0 GEADMM CCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000825643021 607868406 /nfs/dbraw/zinc/86/84/06/607868406.db2.gz FXQCWHAJHJYURP-UHFFFAOYSA-N -1 1 378.385 2.481 20 0 GEADMM CCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000825643021 607868407 /nfs/dbraw/zinc/86/84/07/607868407.db2.gz FXQCWHAJHJYURP-UHFFFAOYSA-N -1 1 378.385 2.481 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CCSC2)c1-c1nn[n-]n1 ZINC000826231449 607918490 /nfs/dbraw/zinc/91/84/90/607918490.db2.gz LQQGEXMQKWEDEA-SNVBAGLBSA-N -1 1 376.511 2.439 20 0 GEADMM CC(C)CS(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824272331 607929534 /nfs/dbraw/zinc/92/95/34/607929534.db2.gz WDVBTXRTUJGZBX-UHFFFAOYSA-N -1 1 385.515 2.235 20 0 GEADMM CC(C)CS(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824272331 607929535 /nfs/dbraw/zinc/92/95/35/607929535.db2.gz WDVBTXRTUJGZBX-UHFFFAOYSA-N -1 1 385.515 2.235 20 0 GEADMM c1cc(-c2nnn[n-]2)nc(N2CCN(Cc3noc(C4CCCCC4)n3)CC2)c1 ZINC000826514133 607937793 /nfs/dbraw/zinc/93/77/93/607937793.db2.gz IIDDGGUNVRKXLP-UHFFFAOYSA-N -1 1 395.471 2.015 20 0 GEADMM c1cc(-c2nn[n-]n2)nc(N2CCN(Cc3noc(C4CCCCC4)n3)CC2)c1 ZINC000826514133 607937794 /nfs/dbraw/zinc/93/77/94/607937794.db2.gz IIDDGGUNVRKXLP-UHFFFAOYSA-N -1 1 395.471 2.015 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](CCO)C2)c1-c1nn[n-]n1 ZINC000826231493 607942257 /nfs/dbraw/zinc/94/22/57/607942257.db2.gz NLIMXPYLJJEZSN-NSHDSACASA-N -1 1 388.497 2.096 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2c(F)cccc2C1 ZINC000826232721 607956833 /nfs/dbraw/zinc/95/68/33/607956833.db2.gz FMNVQUPWEYSNBG-UHFFFAOYSA-N -1 1 396.426 2.241 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC[C@H]1COC(C)(C)O1 ZINC000826340773 607993552 /nfs/dbraw/zinc/99/35/52/607993552.db2.gz KORNNOVCCGENCX-LBPRGKRZSA-N -1 1 387.396 2.257 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC[C@H]1COC(C)(C)O1 ZINC000826340773 607993553 /nfs/dbraw/zinc/99/35/53/607993553.db2.gz KORNNOVCCGENCX-LBPRGKRZSA-N -1 1 387.396 2.257 20 0 GEADMM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825242226 607998412 /nfs/dbraw/zinc/99/84/12/607998412.db2.gz LQRFRHKEZVZMAF-LLVKDONJSA-N -1 1 376.417 2.204 20 0 GEADMM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCC1 ZINC000824108695 607998414 /nfs/dbraw/zinc/99/84/14/607998414.db2.gz IWWCDVYPNNKPHR-UHFFFAOYSA-N -1 1 388.428 2.348 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000826233233 608008571 /nfs/dbraw/zinc/00/85/71/608008571.db2.gz YXLQKKWOJPKIOX-SFHVURJKSA-N -1 1 393.451 2.179 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000826424879 608013852 /nfs/dbraw/zinc/01/38/52/608013852.db2.gz HFPDPOXNEIKRPI-LBPRGKRZSA-N -1 1 394.420 2.096 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000826424879 608013853 /nfs/dbraw/zinc/01/38/53/608013853.db2.gz HFPDPOXNEIKRPI-LBPRGKRZSA-N -1 1 394.420 2.096 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824640683 608025566 /nfs/dbraw/zinc/02/55/66/608025566.db2.gz NLHWJROKFLQEKP-QMMMGPOBSA-N -1 1 386.359 2.253 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820744539 608051641 /nfs/dbraw/zinc/05/16/41/608051641.db2.gz YNUXNPROYLSBTM-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820744539 608051642 /nfs/dbraw/zinc/05/16/42/608051642.db2.gz YNUXNPROYLSBTM-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM O=C(CN[C@@H](c1ccccc1)C(F)(F)F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826412422 608058590 /nfs/dbraw/zinc/05/85/90/608058590.db2.gz NLCLKHPSCWUJDP-HNNXBMFYSA-N -1 1 392.341 2.198 20 0 GEADMM O=C(CN[C@@H](c1ccccc1)C(F)(F)F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826412422 608058591 /nfs/dbraw/zinc/05/85/91/608058591.db2.gz NLCLKHPSCWUJDP-HNNXBMFYSA-N -1 1 392.341 2.198 20 0 GEADMM Cc1nn(-c2ccccc2)c(Cn2cnc(-c3ccccn3)n2)c1-c1nn[n-]n1 ZINC000826332689 608097406 /nfs/dbraw/zinc/09/74/06/608097406.db2.gz CVMBEEAKKCTXBW-UHFFFAOYSA-N -1 1 384.407 2.063 20 0 GEADMM COC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826102939 608146280 /nfs/dbraw/zinc/14/62/80/608146280.db2.gz AVDGIWXTIIZOFP-LBPRGKRZSA-N -1 1 376.369 2.008 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CC12CCCCC2 ZINC000826328147 608165408 /nfs/dbraw/zinc/16/54/08/608165408.db2.gz HIOUNIFZMGTRAO-MRXNPFEDSA-N -1 1 394.483 2.298 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC12CCCCC2 ZINC000826328147 608165410 /nfs/dbraw/zinc/16/54/10/608165410.db2.gz HIOUNIFZMGTRAO-MRXNPFEDSA-N -1 1 394.483 2.298 20 0 GEADMM Clc1nsc(Sc2nnnn2Cc2cccs2)c1-c1nnn[n-]1 ZINC000826354644 608172814 /nfs/dbraw/zinc/17/28/14/608172814.db2.gz OMXFXHSCIRJONW-UHFFFAOYSA-N -1 1 383.875 2.224 20 0 GEADMM Clc1nsc(Sc2nnnn2Cc2cccs2)c1-c1nn[n-]n1 ZINC000826354644 608172815 /nfs/dbraw/zinc/17/28/15/608172815.db2.gz OMXFXHSCIRJONW-UHFFFAOYSA-N -1 1 383.875 2.224 20 0 GEADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000825146226 608181686 /nfs/dbraw/zinc/18/16/86/608181686.db2.gz AUBZHNZAMKICDZ-SECBINFHSA-N -1 1 399.889 2.187 20 0 GEADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000825146226 608181688 /nfs/dbraw/zinc/18/16/88/608181688.db2.gz AUBZHNZAMKICDZ-SECBINFHSA-N -1 1 399.889 2.187 20 0 GEADMM Cc1occc1-c1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)n1N ZINC000826342685 608191307 /nfs/dbraw/zinc/19/13/07/608191307.db2.gz WALWBXRQJNCQLR-UHFFFAOYSA-N -1 1 381.834 2.002 20 0 GEADMM Cc1occc1-c1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)n1N ZINC000826342685 608191309 /nfs/dbraw/zinc/19/13/09/608191309.db2.gz WALWBXRQJNCQLR-UHFFFAOYSA-N -1 1 381.834 2.002 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824104745 608194988 /nfs/dbraw/zinc/19/49/88/608194988.db2.gz XPBPOFLGGQKBLG-UHFFFAOYSA-N -1 1 379.442 2.485 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824104745 608194989 /nfs/dbraw/zinc/19/49/89/608194989.db2.gz XPBPOFLGGQKBLG-UHFFFAOYSA-N -1 1 379.442 2.485 20 0 GEADMM Cc1cc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)oc2cc1C ZINC000826272947 608211898 /nfs/dbraw/zinc/21/18/98/608211898.db2.gz IEGPWNXVBHRGJZ-UHFFFAOYSA-N -1 1 394.439 2.240 20 0 GEADMM Cc1cc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)oc2cc1C ZINC000826272947 608211900 /nfs/dbraw/zinc/21/19/00/608211900.db2.gz IEGPWNXVBHRGJZ-UHFFFAOYSA-N -1 1 394.439 2.240 20 0 GEADMM Cc1ccc(CCCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826287458 608212037 /nfs/dbraw/zinc/21/20/37/608212037.db2.gz PTUASZPEJMTTFM-UHFFFAOYSA-N -1 1 396.499 2.284 20 0 GEADMM Cc1ccc(CCCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826287458 608212039 /nfs/dbraw/zinc/21/20/39/608212039.db2.gz PTUASZPEJMTTFM-UHFFFAOYSA-N -1 1 396.499 2.284 20 0 GEADMM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825740016 608303583 /nfs/dbraw/zinc/30/35/83/608303583.db2.gz NEYDKHVNZBTRHU-SECBINFHSA-N -1 1 394.407 2.142 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)C1CCCCC1 ZINC000825001120 608309374 /nfs/dbraw/zinc/30/93/74/608309374.db2.gz XJCISFIKQVMNBG-CQSZACIVSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)C1CCCCC1 ZINC000825001120 608309375 /nfs/dbraw/zinc/30/93/75/608309375.db2.gz XJCISFIKQVMNBG-CQSZACIVSA-N -1 1 398.515 2.300 20 0 GEADMM CC(C)(C)c1cc(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c(-c2nnn[n-]2)s1 ZINC000824130870 608348341 /nfs/dbraw/zinc/34/83/41/608348341.db2.gz QKYNTBCDLUEDCA-FGWVZKOKSA-N -1 1 389.481 2.406 20 0 GEADMM CC(C)(C)c1cc(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c(-c2nn[n-]n2)s1 ZINC000824130870 608348342 /nfs/dbraw/zinc/34/83/42/608348342.db2.gz QKYNTBCDLUEDCA-FGWVZKOKSA-N -1 1 389.481 2.406 20 0 GEADMM CCc1cnccc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825735657 608359705 /nfs/dbraw/zinc/35/97/05/608359705.db2.gz SEIOCWVAJIEGPK-SECBINFHSA-N -1 1 385.453 2.138 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nnn[n-]3)nn1)O[C@@H](C)C2 ZINC000825616035 608415392 /nfs/dbraw/zinc/41/53/92/608415392.db2.gz UMAFIJUHRDCQCU-WBIUFABUSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nn[n-]n3)nn1)O[C@@H](C)C2 ZINC000825616035 608415394 /nfs/dbraw/zinc/41/53/94/608415394.db2.gz UMAFIJUHRDCQCU-WBIUFABUSA-N -1 1 379.424 2.347 20 0 GEADMM COC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc2ccccc2c1 ZINC000826103032 608418218 /nfs/dbraw/zinc/41/82/18/608418218.db2.gz BUVJCPKXLVRJBJ-INIZCTEOSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc2ccccc2c1 ZINC000826103032 608418220 /nfs/dbraw/zinc/41/82/20/608418220.db2.gz BUVJCPKXLVRJBJ-INIZCTEOSA-N -1 1 389.419 2.254 20 0 GEADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(Br)c1 ZINC000824426263 608425846 /nfs/dbraw/zinc/42/58/46/608425846.db2.gz CGUJSXQCEVYWIN-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(Br)c1 ZINC000824426263 608425847 /nfs/dbraw/zinc/42/58/47/608425847.db2.gz CGUJSXQCEVYWIN-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM Clc1cnc(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c(Cl)c1 ZINC000826353924 608519866 /nfs/dbraw/zinc/51/98/66/608519866.db2.gz JLINETDYOCVEDW-UHFFFAOYSA-N -1 1 380.239 2.484 20 0 GEADMM Clc1cnc(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c(Cl)c1 ZINC000826353924 608519868 /nfs/dbraw/zinc/51/98/68/608519868.db2.gz JLINETDYOCVEDW-UHFFFAOYSA-N -1 1 380.239 2.484 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000826280584 608544390 /nfs/dbraw/zinc/54/43/90/608544390.db2.gz HYEWBLSYOWRWRD-KRWDZBQOSA-N -1 1 383.431 2.195 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2cc(F)ccc2C1 ZINC000826495206 608565613 /nfs/dbraw/zinc/56/56/13/608565613.db2.gz HIRCVJPOSCVAKW-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2cc(F)ccc2C1 ZINC000826495206 608565615 /nfs/dbraw/zinc/56/56/15/608565615.db2.gz HIRCVJPOSCVAKW-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CC(CCO)C1 ZINC000826473284 608592934 /nfs/dbraw/zinc/59/29/34/608592934.db2.gz ROPQAOHGEJBXCI-UHFFFAOYSA-N -1 1 383.383 2.253 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CC(CCO)C1 ZINC000826473284 608592937 /nfs/dbraw/zinc/59/29/37/608592937.db2.gz ROPQAOHGEJBXCI-UHFFFAOYSA-N -1 1 383.383 2.253 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OCc2ccccc2F)CC1 ZINC000826472818 608607063 /nfs/dbraw/zinc/60/70/63/608607063.db2.gz XTJZYOVPEZEPAP-UHFFFAOYSA-N -1 1 382.399 2.222 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OCc2ccccc2F)CC1 ZINC000826472818 608607064 /nfs/dbraw/zinc/60/70/64/608607064.db2.gz XTJZYOVPEZEPAP-UHFFFAOYSA-N -1 1 382.399 2.222 20 0 GEADMM c1nnc([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1C1CC1 ZINC000826523395 608668470 /nfs/dbraw/zinc/66/84/70/608668470.db2.gz LHDSQDMLNNFCRU-LBPRGKRZSA-N -1 1 388.439 2.120 20 0 GEADMM c1nnc([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1C1CC1 ZINC000826523395 608668474 /nfs/dbraw/zinc/66/84/74/608668474.db2.gz LHDSQDMLNNFCRU-LBPRGKRZSA-N -1 1 388.439 2.120 20 0 GEADMM Cc1cc(N2C[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)ccc1F ZINC000826269271 609162216 /nfs/dbraw/zinc/16/22/16/609162216.db2.gz GVWQGBXAGLAQNG-LBPRGKRZSA-N -1 1 396.382 2.011 20 0 GEADMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3nn[nH]n3)c(Cl)c1)OCO2 ZINC000826272796 609274012 /nfs/dbraw/zinc/27/40/12/609274012.db2.gz BJFHEJQBEFJVCH-UHFFFAOYSA-N -1 1 393.812 2.358 20 0 GEADMM CCCn1c(C)nnc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825351713 609277471 /nfs/dbraw/zinc/27/74/71/609277471.db2.gz HVFKDECQCFGBOU-UHFFFAOYSA-N -1 1 382.407 2.114 20 0 GEADMM CC(C)(C)c1nc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000824142478 609277926 /nfs/dbraw/zinc/27/79/26/609277926.db2.gz UUCJTOYTNSKBTD-UHFFFAOYSA-N -1 1 383.391 2.484 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(C)CCCCCC1 ZINC000825000497 609281898 /nfs/dbraw/zinc/28/18/98/609281898.db2.gz RGVILRMBDGXPKQ-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(C)CCCCCC1 ZINC000825000497 609281900 /nfs/dbraw/zinc/28/19/00/609281900.db2.gz RGVILRMBDGXPKQ-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM CCOc1cccnc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825658649 609288934 /nfs/dbraw/zinc/28/89/34/609288934.db2.gz IBKMBMJDIQLDFU-UHFFFAOYSA-N -1 1 394.370 2.238 20 0 GEADMM O=C(COc1ccccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826418627 609291051 /nfs/dbraw/zinc/29/10/51/609291051.db2.gz OVPHXSUMRMYAJQ-UHFFFAOYSA-N -1 1 379.355 2.209 20 0 GEADMM CC(C)(C)n1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000824148430 609312110 /nfs/dbraw/zinc/31/21/10/609312110.db2.gz UPWIPRIDHCPAEO-UHFFFAOYSA-N -1 1 395.402 2.395 20 0 GEADMM COCc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826164197 609313020 /nfs/dbraw/zinc/31/30/20/609313020.db2.gz GUGJNWUDIOUFEF-UHFFFAOYSA-N -1 1 383.343 2.183 20 0 GEADMM CC1(C)C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C(C)(C)O1 ZINC000824788562 609330743 /nfs/dbraw/zinc/33/07/43/609330743.db2.gz AWOBVEBZUVSXGP-LLVKDONJSA-N -1 1 385.877 2.145 20 0 GEADMM CC1(C)C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C(C)(C)O1 ZINC000824788562 609330745 /nfs/dbraw/zinc/33/07/45/609330745.db2.gz AWOBVEBZUVSXGP-LLVKDONJSA-N -1 1 385.877 2.145 20 0 GEADMM CCC(CC)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000825106596 609331906 /nfs/dbraw/zinc/33/19/06/609331906.db2.gz GHHRJIWYEGHXEJ-JSGCOSHPSA-N -1 1 397.476 2.268 20 0 GEADMM CCC(CC)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000825106596 609331908 /nfs/dbraw/zinc/33/19/08/609331908.db2.gz GHHRJIWYEGHXEJ-JSGCOSHPSA-N -1 1 397.476 2.268 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccc(Cl)cn1 ZINC000826233064 609339409 /nfs/dbraw/zinc/33/94/09/609339409.db2.gz SIQRYCCJEXATLE-UHFFFAOYSA-N -1 1 388.815 2.309 20 0 GEADMM O=C(NCCc1ccco1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826440124 609362547 /nfs/dbraw/zinc/36/25/47/609362547.db2.gz ZJRCNFGXYAXZQE-UHFFFAOYSA-N -1 1 382.359 2.149 20 0 GEADMM C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1F ZINC000824949536 609363347 /nfs/dbraw/zinc/36/33/47/609363347.db2.gz YBTLQYSUUXATQX-CMPLNLGQSA-N -1 1 388.382 2.403 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCCSCC1 ZINC000826458197 609364014 /nfs/dbraw/zinc/36/40/14/609364014.db2.gz HOJBUMWDPFTJQA-UHFFFAOYSA-N -1 1 388.432 2.162 20 0 GEADMM Cc1cncc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826319700 609364067 /nfs/dbraw/zinc/36/40/67/609364067.db2.gz OHCTUZGOQUOBQQ-UHFFFAOYSA-N -1 1 393.386 2.217 20 0 GEADMM CSCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228423 609364385 /nfs/dbraw/zinc/36/43/85/609364385.db2.gz OAAFGSMRVUVOQV-UHFFFAOYSA-N -1 1 390.448 2.456 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](CO)c2ccccc2)c1-c1nn[n-]n1 ZINC000826231736 609397360 /nfs/dbraw/zinc/39/73/60/609397360.db2.gz XTKDFVNIVFPHNV-OAHLLOKOSA-N -1 1 396.476 2.324 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824640386 609398587 /nfs/dbraw/zinc/39/85/87/609398587.db2.gz HNEDCTABOSOFJS-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM CCCn1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825356842 609405256 /nfs/dbraw/zinc/40/52/56/609405256.db2.gz MODPIXCMNOAELH-UHFFFAOYSA-N -1 1 381.375 2.050 20 0 GEADMM O=C1NCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccccc1C(F)(F)F ZINC000826482777 609410645 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393.366 2.357 20 0 GEADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824908205 609586884 /nfs/dbraw/zinc/58/68/84/609586884.db2.gz NOISMYOAKQUPDX-RKDXNWHRSA-N -1 1 393.366 2.357 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC000824108434 609601856 /nfs/dbraw/zinc/60/18/56/609601856.db2.gz FYHJLNPRGYBARR-HZSPNIEDSA-N -1 1 385.472 2.391 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC000824108434 609601857 /nfs/dbraw/zinc/60/18/57/609601857.db2.gz FYHJLNPRGYBARR-HZSPNIEDSA-N -1 1 385.472 2.391 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3cccc(-c4nnn[n-]4)n3)C[C@H]21 ZINC000824108431 609602303 /nfs/dbraw/zinc/60/23/03/609602303.db2.gz FYHJLNPRGYBARR-BFHYXJOUSA-N -1 1 385.472 2.391 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3cccc(-c4nn[n-]n4)n3)C[C@H]21 ZINC000824108431 609602305 /nfs/dbraw/zinc/60/23/05/609602305.db2.gz FYHJLNPRGYBARR-BFHYXJOUSA-N -1 1 385.472 2.391 20 0 GEADMM 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Cn1[n-]cc2c(=NS(=O)(=O)c3cc(F)ccc3Br)ccnc1-2 ZINC000461113972 650449346 /nfs/dbraw/zinc/44/93/46/650449346.db2.gz OWHSWMNOKMGAMU-UHFFFAOYSA-N -1 1 385.218 2.044 20 0 GEADMM O=C(CCCC(=O)c1ccc(Br)cc1)NC1(c2nn[n-]n2)CC1 ZINC000507289399 650458185 /nfs/dbraw/zinc/45/81/85/650458185.db2.gz FYZQPJWFABWRIZ-UHFFFAOYSA-N -1 1 378.230 2.121 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000507613160 650464837 /nfs/dbraw/zinc/46/48/37/650464837.db2.gz OVAPMFKRVGHQOM-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 ZINC000507614016 650464904 /nfs/dbraw/zinc/46/49/04/650464904.db2.gz ATDWASKDZMOMRX-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000508026314 650472605 /nfs/dbraw/zinc/47/26/05/650472605.db2.gz SGMXPPDCAOFTNR-UHFFFAOYSA-N -1 1 377.447 2.407 20 0 GEADMM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1cc2c(cc1Cl)OCCO2 ZINC000508113812 650474889 /nfs/dbraw/zinc/47/48/89/650474889.db2.gz WMOVFLIQJXUNOC-GFCCVEGCSA-N -1 1 387.763 2.111 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccncc1 ZINC000462331796 650475467 /nfs/dbraw/zinc/47/54/67/650475467.db2.gz LEQDBGAVLGTRCB-CQSZACIVSA-N -1 1 387.458 2.022 20 0 GEADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000509102115 650486582 /nfs/dbraw/zinc/48/65/82/650486582.db2.gz DNCCOMAIDDJDGB-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2I)cn1 ZINC000509204532 650489563 /nfs/dbraw/zinc/48/95/63/650489563.db2.gz WWDAMGKABCDVJN-UHFFFAOYSA-N -1 1 375.191 2.190 20 0 GEADMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc([S@@](C)=O)c3)cc2oc1=O ZINC000466961350 650500048 /nfs/dbraw/zinc/50/00/48/650500048.db2.gz JJOLJRPFYQBWER-XMMPIXPASA-N -1 1 380.447 2.153 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCN1CC=CCC1 ZINC000509767762 650500152 /nfs/dbraw/zinc/50/01/52/650500152.db2.gz WRWHUNPXAGWPKJ-UHFFFAOYSA-N -1 1 393.292 2.320 20 0 GEADMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000510731529 650518218 /nfs/dbraw/zinc/51/82/18/650518218.db2.gz NGMTUPLGMRHYRD-PRHODGIISA-N -1 1 379.276 2.014 20 0 GEADMM NC(=O)[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000510644978 650515790 /nfs/dbraw/zinc/51/57/90/650515790.db2.gz CUQJICTVUIPIQA-NSHDSACASA-N -1 1 392.786 2.132 20 0 GEADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1 ZINC000471905040 650518558 /nfs/dbraw/zinc/51/85/58/650518558.db2.gz JUWYENKZRGLAMH-DEOSSOPVSA-N -1 1 385.438 2.459 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCOC(C)C ZINC000472734089 650522150 /nfs/dbraw/zinc/52/21/50/650522150.db2.gz JJAACSGTYRAMTO-OAHLLOKOSA-N -1 1 377.890 2.159 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)o1 ZINC000475875505 650541702 /nfs/dbraw/zinc/54/17/02/650541702.db2.gz IHJIVSDBNOKHQQ-UHFFFAOYSA-N -1 1 380.813 2.279 20 0 GEADMM COC[C@@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)OC ZINC000512416932 650548153 /nfs/dbraw/zinc/54/81/53/650548153.db2.gz XVWNIURTDXHKFH-ZCFIWIBFSA-N -1 1 378.697 2.104 20 0 GEADMM C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000476983827 650564942 /nfs/dbraw/zinc/56/49/42/650564942.db2.gz UMYONJNNSOWFDW-AAEUAGOBSA-N -1 1 378.491 2.396 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000477149394 650569470 /nfs/dbraw/zinc/56/94/70/650569470.db2.gz KLEPYMYDZUOBOA-UKRRQHHQSA-N -1 1 384.454 2.032 20 0 GEADMM CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477152934 650569948 /nfs/dbraw/zinc/56/99/48/650569948.db2.gz VZUWCMCGFPWLGU-UHFFFAOYSA-N -1 1 386.470 2.408 20 0 GEADMM C[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)C(=O)N1CCCC1 ZINC000514832831 650580547 /nfs/dbraw/zinc/58/05/47/650580547.db2.gz SNULXIXLENFKTO-JTQLQIEISA-N -1 1 392.253 2.444 20 0 GEADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](CO)c1c(Cl)cccc1Cl)c2=O ZINC000478441888 650585811 /nfs/dbraw/zinc/58/58/11/650585811.db2.gz FCSRZARIHDOLDR-GFCCVEGCSA-N -1 1 381.219 2.444 20 0 GEADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1F ZINC000478695598 650590345 /nfs/dbraw/zinc/59/03/45/650590345.db2.gz PHQWSQZZFNHVCC-UHFFFAOYSA-N -1 1 377.756 2.183 20 0 GEADMM CC(C)C[C@@H](CO)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000479108566 650596275 /nfs/dbraw/zinc/59/62/75/650596275.db2.gz NRIKRTQAXBVZRQ-NSHDSACASA-N -1 1 377.222 2.476 20 0 GEADMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000479520108 650605454 /nfs/dbraw/zinc/60/54/54/650605454.db2.gz VHRNWINHKUNMRW-UHFFFAOYSA-N -1 1 380.323 2.344 20 0 GEADMM CCc1[n-][nH]c(=NC(=O)c2cccc(Nc3cnccn3)c2)c1Br ZINC000479998657 650614107 /nfs/dbraw/zinc/61/41/07/650614107.db2.gz VIAHBVHQLRBGSD-UHFFFAOYSA-N -1 1 387.241 2.364 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)OC ZINC000480019727 650614711 /nfs/dbraw/zinc/61/47/11/650614711.db2.gz FTSYPSWVDKGJGH-SECBINFHSA-N -1 1 376.645 2.113 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000521417956 650617390 /nfs/dbraw/zinc/61/73/90/650617390.db2.gz RAUBEVDPFJEUOI-UHFFFAOYSA-N -1 1 376.406 2.333 20 0 GEADMM COC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(N(C)C)c1 ZINC000480216685 650617842 /nfs/dbraw/zinc/61/78/42/650617842.db2.gz KWFBNECEQFRMQZ-UHFFFAOYSA-N -1 1 384.435 2.100 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)o1 ZINC000522716587 650626923 /nfs/dbraw/zinc/62/69/23/650626923.db2.gz KPGHLJFNVZWXRL-UHFFFAOYSA-N -1 1 388.239 2.350 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522927823 650629515 /nfs/dbraw/zinc/62/95/15/650629515.db2.gz FDSWRGGTIGFIGP-SNVBAGLBSA-N -1 1 380.246 2.315 20 0 GEADMM CCc1nc2sccc2c(NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)n1 ZINC000527118410 650669640 /nfs/dbraw/zinc/66/96/40/650669640.db2.gz FWBDXXHCOAYAGK-UHFFFAOYSA-N -1 1 399.523 2.115 20 0 GEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)o1 ZINC000528333288 650688843 /nfs/dbraw/zinc/68/88/43/650688843.db2.gz FZGDSOMWLZRKME-SNVBAGLBSA-N -1 1 381.376 2.260 20 0 GEADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000484136282 650685443 /nfs/dbraw/zinc/68/54/43/650685443.db2.gz TXUJFCMNUYSPAZ-DGCLKSJQSA-N -1 1 399.285 2.158 20 0 GEADMM O=C([O-])c1cc(NS(=O)(=O)c2cnc3n2CCC3)ccc1Br ZINC000484939472 650691240 /nfs/dbraw/zinc/69/12/40/650691240.db2.gz NASBAXGJLIPERI-UHFFFAOYSA-N -1 1 386.227 2.091 20 0 GEADMM Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485275905 650694638 /nfs/dbraw/zinc/69/46/38/650694638.db2.gz SZNWGZISQCKVRE-UHFFFAOYSA-N -1 1 387.410 2.037 20 0 GEADMM Cc1cc(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)no1 ZINC000528537566 650695224 /nfs/dbraw/zinc/69/52/24/650695224.db2.gz JUHYXESVSBMCQM-ZDUSSCGKSA-N -1 1 387.820 2.000 20 0 GEADMM CN(CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000529539122 650703857 /nfs/dbraw/zinc/70/38/57/650703857.db2.gz PUCFROJYTOEZCR-LLVKDONJSA-N -1 1 382.869 2.256 20 0 GEADMM COC(=O)c1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)c(Br)c1 ZINC000486172063 650707792 /nfs/dbraw/zinc/70/77/92/650707792.db2.gz PQXSSKKZIPXFCL-PLNGDYQASA-N -1 1 375.182 2.137 20 0 GEADMM COCCN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000486259175 650710146 /nfs/dbraw/zinc/71/01/46/650710146.db2.gz XSKVZTKIVMYLRU-UHFFFAOYSA-N -1 1 394.269 2.107 20 0 GEADMM COC[C@@](C)(NC(=O)c1c([O-])cnc2c(Br)cccc21)C(=O)OC ZINC000486633433 650717378 /nfs/dbraw/zinc/71/73/78/650717378.db2.gz UEBKXEUQTQZVRU-MRXNPFEDSA-N -1 1 397.225 2.011 20 0 GEADMM Cn1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(-c2ccc(Cl)s2)n1 ZINC000530401324 650724726 /nfs/dbraw/zinc/72/47/26/650724726.db2.gz BGXKAIBDMKCWJD-VIFPVBQESA-N -1 1 377.861 2.335 20 0 GEADMM Cc1cc(C(=O)Nc2ccc(Br)cc2O)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000531049416 650733879 /nfs/dbraw/zinc/73/38/79/650733879.db2.gz JEPBXKHRWKVSEX-UHFFFAOYSA-N -1 1 391.181 2.465 20 0 GEADMM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000488252801 650743619 /nfs/dbraw/zinc/74/36/19/650743619.db2.gz KKLRXMFEATYCAR-UHFFFAOYSA-N -1 1 394.396 2.203 20 0 GEADMM CCC(Nc1cccc(SC)c1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000009771432 642355729 /nfs/dbraw/zinc/35/57/29/642355729.db2.gz IVRFBEWHWFRPCV-YPKPFQOOSA-N -1 1 379.507 2.374 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 ZINC000013028198 642374752 /nfs/dbraw/zinc/37/47/52/642374752.db2.gz UUBGNOLVGFPSCB-UHFFFAOYSA-N -1 1 375.328 2.412 20 0 GEADMM CON(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000026319268 642431811 /nfs/dbraw/zinc/43/18/11/642431811.db2.gz KMBCGSWSVNOKII-UHFFFAOYSA-N -1 1 390.870 2.323 20 0 GEADMM COc1ccc(CC(=O)NNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000028814065 642454223 /nfs/dbraw/zinc/45/42/23/642454223.db2.gz UXQFXCXFQHMCAN-UHFFFAOYSA-N -1 1 379.210 2.167 20 0 GEADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000029044807 642457233 /nfs/dbraw/zinc/45/72/33/642457233.db2.gz WXBPXTXMGBBJQM-UHFFFAOYSA-N -1 1 384.479 2.184 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2csc(-c3ccccc3)n2)o1 ZINC000032934097 642500027 /nfs/dbraw/zinc/50/00/27/642500027.db2.gz HCEJRMMDVFXUCH-UHFFFAOYSA-N -1 1 377.447 2.241 20 0 GEADMM Cc1nnsc1C(=O)[N-]c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000490016053 650766652 /nfs/dbraw/zinc/76/66/52/650766652.db2.gz GMTOZHQAIQVUEM-UHFFFAOYSA-N -1 1 390.849 2.332 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)sc1C ZINC000533916847 650766848 /nfs/dbraw/zinc/76/68/48/650766848.db2.gz QNFCTUPFJLEHQT-HNNXBMFYSA-N -1 1 379.507 2.087 20 0 GEADMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)c1 ZINC000533626635 650763962 /nfs/dbraw/zinc/76/39/62/650763962.db2.gz IOZZBOSXHPARPQ-UHFFFAOYSA-N -1 1 386.813 2.188 20 0 GEADMM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000533689623 650764212 /nfs/dbraw/zinc/76/42/12/650764212.db2.gz PEQROLXNJDDXAY-UHFFFAOYSA-N -1 1 378.834 2.068 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)o1 ZINC000046316116 642609967 /nfs/dbraw/zinc/60/99/67/642609967.db2.gz MIXKPLRXNJSZIV-VIFPVBQESA-N -1 1 386.813 2.025 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]c2ccc(I)cc2Cl)cn1 ZINC000048653994 642658052 /nfs/dbraw/zinc/65/80/52/642658052.db2.gz QNHYYSXTRUAFLI-UHFFFAOYSA-N -1 1 397.625 2.479 20 0 GEADMM O=S(=O)([N-]CCc1nccs1)c1cc(Br)cnc1Cl ZINC000051162919 642691902 /nfs/dbraw/zinc/69/19/02/642691902.db2.gz RIOAPHZOOHJHLU-UHFFFAOYSA-N -1 1 382.692 2.475 20 0 GEADMM Cn1cc(-c2nc(COC(=O)c3sccc3[N-]S(C)(=O)=O)cs2)cn1 ZINC000051695237 642702954 /nfs/dbraw/zinc/70/29/54/642702954.db2.gz DWHVWHOORPXNLM-UHFFFAOYSA-N -1 1 398.491 2.334 20 0 GEADMM O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000052846113 642729173 /nfs/dbraw/zinc/72/91/73/642729173.db2.gz QNIHVQWCNPYSDQ-UHFFFAOYSA-N -1 1 398.278 2.500 20 0 GEADMM NS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc([O-])c(Br)c1)C(=O)N2 ZINC000053107433 642730762 /nfs/dbraw/zinc/73/07/62/642730762.db2.gz IUMXFRTUYYSBIE-WZUFQYTHSA-N -1 1 395.234 2.295 20 0 GEADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000055652095 642778397 /nfs/dbraw/zinc/77/83/97/642778397.db2.gz YUCDNNVDFAOTRM-UHFFFAOYSA-N -1 1 384.479 2.136 20 0 GEADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000055652200 642778508 /nfs/dbraw/zinc/77/85/08/642778508.db2.gz PRTSVNHSWMUSCS-UHFFFAOYSA-N -1 1 384.479 2.230 20 0 GEADMM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000055678747 642779660 /nfs/dbraw/zinc/77/96/60/642779660.db2.gz RYPANOXBJLXOJO-UHFFFAOYSA-N -1 1 398.359 2.293 20 0 GEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000055677464 642779682 /nfs/dbraw/zinc/77/96/82/642779682.db2.gz CRRLGGGWPSRFGT-UHFFFAOYSA-N -1 1 382.825 2.272 20 0 GEADMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115449 642804868 /nfs/dbraw/zinc/80/48/68/642804868.db2.gz YKBKINIUYUYQGK-LLVKDONJSA-N -1 1 384.454 2.337 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000064347993 642873778 /nfs/dbraw/zinc/87/37/78/642873778.db2.gz HORLCKXAJFEHGH-UHFFFAOYSA-N -1 1 399.643 2.186 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)[n-]1 ZINC000064347993 642873782 /nfs/dbraw/zinc/87/37/82/642873782.db2.gz HORLCKXAJFEHGH-UHFFFAOYSA-N -1 1 399.643 2.186 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC23CCC(CC2)C3)c(F)c1 ZINC000536001181 650793543 /nfs/dbraw/zinc/79/35/43/650793543.db2.gz BBRDZTDLTYTWFY-UHFFFAOYSA-N -1 1 376.475 2.056 20 0 GEADMM CC(C)n1c(CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)n[n-]c1=S ZINC000066639278 642930248 /nfs/dbraw/zinc/93/02/48/642930248.db2.gz UCTQYDWQWZXOOM-NSHDSACASA-N -1 1 385.559 2.475 20 0 GEADMM O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000067244204 642966378 /nfs/dbraw/zinc/96/63/78/642966378.db2.gz VSNGIBAHVVQEHM-UHFFFAOYSA-N -1 1 387.870 2.076 20 0 GEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CCn2c(C)csc2=O)CC1 ZINC000068452933 642998544 /nfs/dbraw/zinc/99/85/44/642998544.db2.gz INRHITDEKZVMKP-UHFFFAOYSA-N -1 1 381.527 2.289 20 0 GEADMM CC(C)n1c(CCNC(=O)c2cnc(-c3cnn(C)c3)s2)n[n-]c1=S ZINC000069706010 643039651 /nfs/dbraw/zinc/03/96/51/643039651.db2.gz ZJJRMPCYWHYAHS-UHFFFAOYSA-N -1 1 377.499 2.351 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000537504405 650815171 /nfs/dbraw/zinc/81/51/71/650815171.db2.gz HTAQVTOEWXKQLB-UHFFFAOYSA-N -1 1 378.475 2.259 20 0 GEADMM Cc1ccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000102932711 643146855 /nfs/dbraw/zinc/14/68/55/643146855.db2.gz TWVGMNQBAHTAPS-UHFFFAOYSA-N -1 1 378.472 2.046 20 0 GEADMM CC(C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932837 643147355 /nfs/dbraw/zinc/14/73/55/643147355.db2.gz LPVLSGJYJWIFHO-CYBMUJFWSA-N -1 1 378.491 2.396 20 0 GEADMM Cc1nnc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)[nH]1 ZINC000103255958 643159872 /nfs/dbraw/zinc/15/98/72/643159872.db2.gz SIDMDCGGLCVNTQ-UHFFFAOYSA-N -1 1 377.451 2.157 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2csc(-c3cccs3)n2)c1 ZINC000537850340 650824695 /nfs/dbraw/zinc/82/46/95/650824695.db2.gz JEBGJSWWOIRAGV-UHFFFAOYSA-N -1 1 395.487 2.406 20 0 GEADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000105390691 643204841 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O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@H]1CCOC1 ZINC000914361819 654848600 /nfs/dbraw/zinc/84/86/00/654848600.db2.gz UOFUPPPPRVBPMG-RULNZOCKSA-N -1 1 386.417 2.294 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](CO)C(C)C)c1F ZINC000915637488 654875640 /nfs/dbraw/zinc/87/56/40/654875640.db2.gz CVGAKIUVWBHNFJ-VIFPVBQESA-N -1 1 384.267 2.140 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](C)CCCO)c1F ZINC000916021103 654884936 /nfs/dbraw/zinc/88/49/36/654884936.db2.gz MEXNDMZUDFNOGI-VIFPVBQESA-N -1 1 384.267 2.284 20 0 GEADMM CCOc1ccc(Br)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1F ZINC000935366004 654889946 /nfs/dbraw/zinc/88/99/46/654889946.db2.gz OYSBYPWDJSYRSS-MRVPVSSYSA-N -1 1 386.225 2.376 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000935594367 654902967 /nfs/dbraw/zinc/90/29/67/654902967.db2.gz FTNMHNVJSQYHKT-SSDOTTSWSA-N -1 1 396.163 2.289 20 0 GEADMM O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000935795015 654917553 /nfs/dbraw/zinc/91/75/53/654917553.db2.gz UFEQQCHPELAVLB-SECBINFHSA-N -1 1 392.213 2.205 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c1 ZINC000151753111 531518929 /nfs/dbraw/zinc/51/89/29/531518929.db2.gz KIIXHJCKJZQRCB-UHFFFAOYSA-N -1 1 380.241 2.369 20 0 GEADMM CCc1nc(S(=O)(=O)Cc2ccc(OC)c(OC)c2Br)n[n-]1 ZINC000153151304 531591433 /nfs/dbraw/zinc/59/14/33/531591433.db2.gz DEUIPUFDWYUEBL-UHFFFAOYSA-N -1 1 390.259 2.121 20 0 GEADMM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000025132259 531611128 /nfs/dbraw/zinc/61/11/28/531611128.db2.gz PTAIDFPQSUOHRK-UHFFFAOYSA-N -1 1 389.260 2.407 20 0 GEADMM C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000153940511 531614117 /nfs/dbraw/zinc/61/41/17/531614117.db2.gz IZPCZXSOTQBHPD-ZJUUUORDSA-N -1 1 375.206 2.230 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cccs2)c(Br)o1 ZINC000154030740 531618435 /nfs/dbraw/zinc/61/84/35/531618435.db2.gz GANXLDAIOOOXKC-UHFFFAOYSA-N -1 1 394.268 2.411 20 0 GEADMM COc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2)cc1[N-]S(C)(=O)=O ZINC000055582868 531796030 /nfs/dbraw/zinc/79/60/30/531796030.db2.gz BAOIITJXWJJFDC-UHFFFAOYSA-N -1 1 388.442 2.315 20 0 GEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1C ZINC000055586696 531796150 /nfs/dbraw/zinc/79/61/50/531796150.db2.gz FHUXFWUGVHWMOF-UHFFFAOYSA-N -1 1 384.479 2.484 20 0 GEADMM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000163220300 531854142 /nfs/dbraw/zinc/85/41/42/531854142.db2.gz OXPUMGYGVZFLJD-QMMMGPOBSA-N -1 1 393.836 2.460 20 0 GEADMM CNC(=O)c1cccc(CCNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000163521713 531858879 /nfs/dbraw/zinc/85/88/79/531858879.db2.gz ZRGBARQQXQRICQ-UHFFFAOYSA-N -1 1 377.238 2.487 20 0 GEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000064474718 531865718 /nfs/dbraw/zinc/86/57/18/531865718.db2.gz XTXGUWVUQVLGIP-UHFFFAOYSA-N -1 1 382.463 2.239 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(F)c2F)c(F)c1 ZINC000067124766 531876080 /nfs/dbraw/zinc/87/60/80/531876080.db2.gz JUFMSKQEEXWPBA-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)c1 ZINC000093909142 531927411 /nfs/dbraw/zinc/92/74/11/531927411.db2.gz OVDPIDCDEGMYAT-UHFFFAOYSA-N -1 1 379.463 2.466 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)c1 ZINC000093909142 531927423 /nfs/dbraw/zinc/92/74/23/531927423.db2.gz OVDPIDCDEGMYAT-UHFFFAOYSA-N -1 1 379.463 2.466 20 0 GEADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000112117022 531945151 /nfs/dbraw/zinc/94/51/51/531945151.db2.gz LGYLPMZEFJBOGI-VIFPVBQESA-N -1 1 381.148 2.048 20 0 GEADMM O=C(c1c[nH]c2cccc(Br)c12)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000119509922 531972020 /nfs/dbraw/zinc/97/20/20/531972020.db2.gz KPRDYPZRMJVFBJ-SECBINFHSA-N -1 1 375.230 2.463 20 0 GEADMM CS(=O)(=O)C1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000172676131 531964289 /nfs/dbraw/zinc/96/42/89/531964289.db2.gz UPWAAQCHLIFYPZ-UHFFFAOYSA-N -1 1 376.272 2.240 20 0 GEADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C2CC2)n1 ZINC000173463792 532012946 /nfs/dbraw/zinc/01/29/46/532012946.db2.gz DTXJLOMKLHOWBV-AWEZNQCLSA-N -1 1 386.520 2.285 20 0 GEADMM O=C(Nc1ccc(C(=O)N2CC(O)C2)c([O-])c1)c1cccc(Br)c1 ZINC000123288131 532097620 /nfs/dbraw/zinc/09/76/20/532097620.db2.gz IGPWOGGPDXCYAL-UHFFFAOYSA-N -1 1 391.221 2.224 20 0 GEADMM CN(CC1(O)CCCC1)C(=O)c1cc(I)ccc1[O-] ZINC000123898980 532110654 /nfs/dbraw/zinc/11/06/54/532110654.db2.gz QQCSTTPGXWLTKX-UHFFFAOYSA-N -1 1 375.206 2.374 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1nc(Cc2ccccc2)no1 ZINC000124529117 532123140 /nfs/dbraw/zinc/12/31/40/532123140.db2.gz IGDSHVVNNGFSNR-SNVBAGLBSA-N -1 1 381.845 2.087 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)co1 ZINC000124623360 532126046 /nfs/dbraw/zinc/12/60/46/532126046.db2.gz PLUVPKCYTHNOSV-AWEZNQCLSA-N -1 1 384.841 2.135 20 0 GEADMM Cc1cc(C(=O)NCCCc2nc(=O)[n-][nH]2)c2cc(Br)ccc2n1 ZINC000176257934 532131704 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CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)o1 ZINC000177450299 532171941 /nfs/dbraw/zinc/17/19/41/532171941.db2.gz KQEGXNNIPATFRO-UHFFFAOYSA-N -1 1 384.479 2.313 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)[n-]1 ZINC000129218923 532174994 /nfs/dbraw/zinc/17/49/94/532174994.db2.gz HRGVEMYWZLKLPQ-UHFFFAOYSA-N -1 1 383.842 2.237 20 0 GEADMM CS(=O)(=O)c1nc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)n[n-]1 ZINC000129218923 532174995 /nfs/dbraw/zinc/17/49/95/532174995.db2.gz HRGVEMYWZLKLPQ-UHFFFAOYSA-N -1 1 383.842 2.237 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)NCC1CCCC1 ZINC000178825588 532214153 /nfs/dbraw/zinc/21/41/53/532214153.db2.gz MUELCFYTNKQVRR-UHFFFAOYSA-N -1 1 378.416 2.467 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl ZINC000133224275 532229959 /nfs/dbraw/zinc/22/99/59/532229959.db2.gz FSKJLWGCNDUUEH-LBPRGKRZSA-N -1 1 384.864 2.464 20 0 GEADMM O=C(C1CCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000133312836 532231758 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NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccn2Cc2cccs2)c1 ZINC000181032756 532289130 /nfs/dbraw/zinc/28/91/30/532289130.db2.gz LFRZLJFCMZIWQW-UHFFFAOYSA-N -1 1 377.447 2.203 20 0 GEADMM COc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1Br ZINC000147471476 532298803 /nfs/dbraw/zinc/29/88/03/532298803.db2.gz UOBIKJWIJYTTSP-UHFFFAOYSA-N -1 1 375.200 2.285 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCOCC1 ZINC000151058364 532306688 /nfs/dbraw/zinc/30/66/88/532306688.db2.gz YRCIZDZKTKIGKC-SNVBAGLBSA-N -1 1 386.823 2.358 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)co1 ZINC000182490371 532314163 /nfs/dbraw/zinc/31/41/63/532314163.db2.gz JICPIACBBSMEGY-HIFRSBDPSA-N -1 1 384.841 2.101 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000182502581 532314212 /nfs/dbraw/zinc/31/42/12/532314212.db2.gz XAXWRBYOMLCKPR-WFASDCNBSA-N -1 1 384.841 2.101 20 0 GEADMM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1cn(C)cc(Br)c1=O)c2=O ZINC000186779462 532341859 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CCOC(=O)C[C@H](C)N(C)C(=O)c1cc(I)ccc1[O-] ZINC000190181857 532355197 /nfs/dbraw/zinc/35/51/97/532355197.db2.gz XNKBEHCPFUUBDB-VIFPVBQESA-N -1 1 391.205 2.411 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C1CC1 ZINC000190637759 532357123 /nfs/dbraw/zinc/35/71/23/532357123.db2.gz TWTKCKRMGXXDBW-UHFFFAOYSA-N -1 1 399.669 2.046 20 0 GEADMM COCCOCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190665207 532357352 /nfs/dbraw/zinc/35/73/52/532357352.db2.gz UTBQAQNCKIVAGM-UHFFFAOYSA-N -1 1 390.658 2.183 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(N)=O ZINC000190713587 532357567 /nfs/dbraw/zinc/35/75/67/532357567.db2.gz ZLVFAFWRAISLSY-JTQLQIEISA-N -1 1 387.658 2.030 20 0 GEADMM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000190958288 532358882 /nfs/dbraw/zinc/35/88/82/532358882.db2.gz DBVMVUULTIDXTO-UHFFFAOYSA-N -1 1 381.845 2.312 20 0 GEADMM Cc1csc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1Br ZINC000191513884 532361254 /nfs/dbraw/zinc/36/12/54/532361254.db2.gz 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380.246 2.136 20 0 GEADMM CCC(CC)(CCO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000517152517 532407140 /nfs/dbraw/zinc/40/71/40/532407140.db2.gz OOPCQHGQTQOBDY-UHFFFAOYSA-N -1 1 397.324 2.329 20 0 GEADMM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000280249846 532411334 /nfs/dbraw/zinc/41/13/34/532411334.db2.gz NDCZEQNNUDVUSN-ZCFIWIBFSA-N -1 1 393.086 2.042 20 0 GEADMM O=S(=O)([N-]c1cc([C@@H]2CCCOC2)n[nH]1)c1cncc(Br)c1 ZINC000280328140 532412588 /nfs/dbraw/zinc/41/25/88/532412588.db2.gz QARICBVGGNJHLK-SECBINFHSA-N -1 1 387.259 2.262 20 0 GEADMM CSc1cncc([N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000591498530 532412981 /nfs/dbraw/zinc/41/29/81/532412981.db2.gz MJXSJJHKOSXRHQ-UHFFFAOYSA-N -1 1 399.519 2.144 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCSc1ccc(F)cc1 ZINC000591583190 532414524 /nfs/dbraw/zinc/41/45/24/532414524.db2.gz MSFVBPCABQWTDQ-UHFFFAOYSA-N -1 1 387.458 2.186 20 0 GEADMM O=C(N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1cncc([O-])c1 ZINC000372894638 532417073 /nfs/dbraw/zinc/41/70/73/532417073.db2.gz FUEYIBQFUGZBAC-ZDUSSCGKSA-N -1 1 397.250 2.198 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCn2ccc3cc(Cl)ccc32)o1 ZINC000560717192 532422867 /nfs/dbraw/zinc/42/28/67/532422867.db2.gz FZTRLNMZQUJZJP-UHFFFAOYSA-N -1 1 381.841 2.226 20 0 GEADMM Cc1cc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc2n(C)c1=O ZINC000427337360 532421497 /nfs/dbraw/zinc/42/14/97/532421497.db2.gz GWWGDOQUGSAWRA-UHFFFAOYSA-N -1 1 378.431 2.407 20 0 GEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000466405977 532426871 /nfs/dbraw/zinc/42/68/71/532426871.db2.gz IXEKATAGXVKVHI-UHFFFAOYSA-N -1 1 383.491 2.221 20 0 GEADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cc(F)ccc2OC)nc1C ZINC000592037750 532434851 /nfs/dbraw/zinc/43/48/51/532434851.db2.gz NWKRCYUIJUQOLQ-UHFFFAOYSA-N -1 1 388.442 2.254 20 0 GEADMM Cc1ncc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)c(=O)[nH]1 ZINC000561405532 532438483 /nfs/dbraw/zinc/43/84/83/532438483.db2.gz AYAORDUNJMNWNO-UHFFFAOYSA-N -1 1 389.209 2.437 20 0 GEADMM CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)OC ZINC000592079668 532439666 /nfs/dbraw/zinc/43/96/66/532439666.db2.gz ZSFCMINGLISPHC-QMMMGPOBSA-N -1 1 398.264 2.258 20 0 GEADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000282147542 532445043 /nfs/dbraw/zinc/44/50/43/532445043.db2.gz FFSUHUIXOILLES-VIFPVBQESA-N -1 1 377.344 2.386 20 0 GEADMM CCOc1cc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)cc(Cl)c1[O-] ZINC000561779666 532451584 /nfs/dbraw/zinc/45/15/84/532451584.db2.gz WJZADOWCCDCOFX-ZYHUDNBSSA-N -1 1 375.874 2.482 20 0 GEADMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2SCC(N)=O)n1 ZINC000428699396 532459234 /nfs/dbraw/zinc/45/92/34/532459234.db2.gz IVMVCKWJCDCJLY-UHFFFAOYSA-N -1 1 378.479 2.053 20 0 GEADMM COCCN(Cc1cncs1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000468571188 532468631 /nfs/dbraw/zinc/46/86/31/532468631.db2.gz XDXLKJYTJUVUQC-UHFFFAOYSA-N -1 1 382.511 2.277 20 0 GEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000295865371 532483710 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CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000628811524 532473888 /nfs/dbraw/zinc/47/38/88/532473888.db2.gz GVILFGCEMQIUHO-VXGBXAGGSA-N -1 1 380.388 2.001 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@@H](O)C(F)F ZINC000295765170 532474122 /nfs/dbraw/zinc/47/41/22/532474122.db2.gz PLSYJCDNLQKGSR-WCBMZHEXSA-N -1 1 376.194 2.271 20 0 GEADMM O=C(CCc1cc(F)ccc1Br)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282898041 532504845 /nfs/dbraw/zinc/50/48/45/532504845.db2.gz LIFCRORVYXBYSA-LLVKDONJSA-N -1 1 397.248 2.338 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1F ZINC000594453932 532506899 /nfs/dbraw/zinc/50/68/99/532506899.db2.gz VZNPYNXAXSDJDK-FZQKWOKYSA-N -1 1 391.848 2.358 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c1F ZINC000594453855 532506962 /nfs/dbraw/zinc/50/69/62/532506962.db2.gz UGRLQTUINJANET-KOLCDFICSA-N -1 1 379.837 2.095 20 0 GEADMM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CCC1 ZINC000594463202 532508090 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CC[C@@]([N-]S(=O)(=O)CC(C)(C)OC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000521516441 532514557 /nfs/dbraw/zinc/51/45/57/532514557.db2.gz YOZVXBVVLYVBTM-INIZCTEOSA-N -1 1 377.890 2.463 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1c(F)cccc1Cl ZINC000374707607 532515825 /nfs/dbraw/zinc/51/58/25/532515825.db2.gz PJFZAHKHXIGNNL-ABAIWWIYSA-N -1 1 377.865 2.325 20 0 GEADMM CC[C@@H](C)N(CCS(=O)(=O)c1cccc(Br)c1)CC(=O)[O-] ZINC000236866978 532498097 /nfs/dbraw/zinc/49/80/97/532498097.db2.gz NVVDVFQJDOVCCW-LLVKDONJSA-N -1 1 378.288 2.408 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)S(C)(=O)=O)c(C)c1 ZINC000244211839 532520227 /nfs/dbraw/zinc/52/02/27/532520227.db2.gz VURSWAVSZQNCNG-UHFFFAOYSA-N -1 1 384.479 2.200 20 0 GEADMM COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000594762619 532523086 /nfs/dbraw/zinc/52/30/86/532523086.db2.gz OJJJWDTUJZYWOB-OAHLLOKOSA-N -1 1 381.523 2.199 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)[C@@H]1CCCOC1 ZINC000594773603 532526916 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CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000435603616 532621638 /nfs/dbraw/zinc/62/16/38/532621638.db2.gz KGPPHJHUZJWVCT-TVQRCGJNSA-N -1 1 387.820 2.213 20 0 GEADMM CC(C)n1cc(C[N-]S(=O)(=O)c2cccc(Br)c2F)nn1 ZINC000632529187 532621612 /nfs/dbraw/zinc/62/16/12/532621612.db2.gz ZRYVJUNYBXAYTB-UHFFFAOYSA-N -1 1 377.239 2.239 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCCS(=O)(=O)Cc2ccccc2)sc1C ZINC000435226075 532610772 /nfs/dbraw/zinc/61/07/72/532610772.db2.gz KGPCAXOVYJYCOF-UHFFFAOYSA-N -1 1 388.536 2.043 20 0 GEADMM O=S(=O)(Cc1ncsc1Br)[N-]Cc1nnc(C2CC2)s1 ZINC000632459293 532612645 /nfs/dbraw/zinc/61/26/45/532612645.db2.gz CWERWYVEJSJVME-UHFFFAOYSA-N -1 1 395.329 2.254 20 0 GEADMM CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)CCc1nn[n-]n1 ZINC000632540384 532625075 /nfs/dbraw/zinc/62/50/75/532625075.db2.gz FGYWJIXRSLYYBP-AWEZNQCLSA-N -1 1 396.289 2.049 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1F)[C@H]1CCOC1 ZINC000656622142 532625772 /nfs/dbraw/zinc/62/57/72/532625772.db2.gz AWFIRCLHQLTSEG-TVQRCGJNSA-N -1 1 382.251 2.381 20 0 GEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2noc3c2CCCCC3)s1 ZINC000436146279 532627176 /nfs/dbraw/zinc/62/71/76/532627176.db2.gz YIWQBXTVZFUUBR-UHFFFAOYSA-N -1 1 382.467 2.703 20 0 GEADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc2n1C ZINC000530722190 532627209 /nfs/dbraw/zinc/62/72/09/532627209.db2.gz LFJAKWJEIBPSJP-UHFFFAOYSA-N -1 1 379.463 2.086 20 0 GEADMM O=S(=O)([N-]c1cccc(CN2CCCS2(=O)=O)c1)c1cccc(F)c1 ZINC000656632595 532627825 /nfs/dbraw/zinc/62/78/25/532627825.db2.gz GYSAKFJHJJDVCL-UHFFFAOYSA-N -1 1 384.454 2.162 20 0 GEADMM COC(=O)c1ccc([O-])c(NC(=O)CCn2cc(Br)ccc2=O)c1 ZINC000436501839 532635244 /nfs/dbraw/zinc/63/52/44/532635244.db2.gz AVMOOHRRJUWNIR-UHFFFAOYSA-N -1 1 395.209 2.132 20 0 GEADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000436533198 532638064 /nfs/dbraw/zinc/63/80/64/532638064.db2.gz MKEZPVQUDANPQH-GFCCVEGCSA-N -1 1 375.874 2.484 20 0 GEADMM CCOC(=O)CC[C@@H](C)NC(=O)c1cc(I)ccc1[O-] ZINC000436580125 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COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1C[C@@H](OC)C1 ZINC000599517913 532664183 /nfs/dbraw/zinc/66/41/83/532664183.db2.gz KUTFZYXCTBTVIO-WAAGHKOSSA-N -1 1 382.265 2.483 20 0 GEADMM COc1ccc(NC(=O)CSCc2cscn2)cc1[N-]S(C)(=O)=O ZINC000437161489 532651149 /nfs/dbraw/zinc/65/11/49/532651149.db2.gz RZLQMGNLCQPWKK-UHFFFAOYSA-N -1 1 387.508 2.395 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C(C)(C)c2nccs2)c1F ZINC000599236692 532655043 /nfs/dbraw/zinc/65/50/43/532655043.db2.gz NUODDQDTVITYQF-UHFFFAOYSA-N -1 1 376.406 2.422 20 0 GEADMM Cc1nnc(N2C[C@@H](F)C[C@H]2C[N-]S(=O)(=O)c2c(F)cccc2Cl)o1 ZINC000377401175 532657434 /nfs/dbraw/zinc/65/74/34/532657434.db2.gz RXZJMZJMDDTZDW-UWVGGRQHSA-N -1 1 392.815 2.066 20 0 GEADMM C[C@@H]1CSC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000568702635 532684344 /nfs/dbraw/zinc/68/43/44/532684344.db2.gz PEYJICYZHPUSSO-LDYMZIIASA-N -1 1 383.322 2.139 20 0 GEADMM COc1cc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2OC)on1 ZINC000660011621 532669759 /nfs/dbraw/zinc/66/97/59/532669759.db2.gz HXUPJTOTCIHUBK-UHFFFAOYSA-N -1 1 395.206 2.072 20 0 GEADMM CC[C@]([N-]S(=O)(=O)c1c(C)cnn1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285352271 532673620 /nfs/dbraw/zinc/67/36/20/532673620.db2.gz PSJIZPOQHHKGTO-MRXNPFEDSA-N -1 1 385.873 2.139 20 0 GEADMM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc(Br)ccc1[O-] ZINC000600423960 532675382 /nfs/dbraw/zinc/67/53/82/532675382.db2.gz AYZWCCZWTRZADT-ZWNOBZJWSA-N -1 1 386.242 2.243 20 0 GEADMM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000484497271 532679855 /nfs/dbraw/zinc/67/98/55/532679855.db2.gz JGLSADPHHZKKHY-UHFFFAOYSA-N -1 1 386.744 2.413 20 0 GEADMM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)s1 ZINC000439787968 532701615 /nfs/dbraw/zinc/70/16/15/532701615.db2.gz FFBJOLMXZZLUSS-UHFFFAOYSA-N -1 1 376.485 2.054 20 0 GEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)c1 ZINC000265224289 532688722 /nfs/dbraw/zinc/68/87/22/532688722.db2.gz AURCCQKTYHLMQP-UHFFFAOYSA-N -1 1 383.491 2.487 20 0 GEADMM O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299003279 532689657 /nfs/dbraw/zinc/68/96/57/532689657.db2.gz QJIABABBHVIDOP-QMMMGPOBSA-N -1 1 379.829 2.488 20 0 GEADMM CN(CC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000266213336 532708239 /nfs/dbraw/zinc/70/82/39/532708239.db2.gz QTSQIXKTCPFVAM-UHFFFAOYSA-N -1 1 379.187 2.292 20 0 GEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000440279610 532709225 /nfs/dbraw/zinc/70/92/25/532709225.db2.gz HAEFKBWKMQGVIN-UHFFFAOYSA-N -1 1 386.788 2.150 20 0 GEADMM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000574585136 532715053 /nfs/dbraw/zinc/71/50/53/532715053.db2.gz PUYDPTQFVKQLJE-WDEREUQCSA-N -1 1 375.372 2.282 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1 ZINC000609730472 532717325 /nfs/dbraw/zinc/71/73/25/532717325.db2.gz MSWZFSCDFIGJPJ-XMMPIXPASA-N -1 1 381.475 2.461 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000538756858 532717810 /nfs/dbraw/zinc/71/78/10/532717810.db2.gz DZHLENIXEAMDOW-UHFFFAOYSA-N -1 1 384.797 2.411 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c1 ZINC000299454232 532719215 /nfs/dbraw/zinc/71/92/15/532719215.db2.gz UITLQZXNJBOYHZ-UHFFFAOYSA-N -1 1 384.479 2.021 20 0 GEADMM CCOC(=O)C1([N-]S(=O)(=O)c2nc(C)c(C)s2)Cc2ccccc2C1 ZINC000610930455 532719696 /nfs/dbraw/zinc/71/96/96/532719696.db2.gz JIOPHERAFKXUBQ-UHFFFAOYSA-N -1 1 380.491 2.139 20 0 GEADMM COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000443281269 532744340 /nfs/dbraw/zinc/74/43/40/532744340.db2.gz ZTQHALAJOHNVKF-GXTWGEPZSA-N -1 1 375.874 2.482 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(C(=O)OC)s1 ZINC000443497299 532747910 /nfs/dbraw/zinc/74/79/10/532747910.db2.gz FJSUHAXHAINHBE-MRVPVSSYSA-N -1 1 397.421 2.178 20 0 GEADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cn1 ZINC000410419326 532739687 /nfs/dbraw/zinc/73/96/87/532739687.db2.gz MPBVZKABDQVGMZ-UHFFFAOYSA-N -1 1 382.200 2.303 20 0 GEADMM COc1ccc(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000286341664 532741041 /nfs/dbraw/zinc/74/10/41/532741041.db2.gz BEESEXJRCDUTQM-UHFFFAOYSA-N -1 1 388.287 2.021 20 0 GEADMM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000618347920 532756631 /nfs/dbraw/zinc/75/66/31/532756631.db2.gz YKXNSUFFOVCBBN-UHFFFAOYSA-N -1 1 378.435 2.315 20 0 GEADMM CS(=O)(=O)c1cccc(CS(=O)(=O)[N-]C2(C(F)F)CCCCC2)c1 ZINC000451030446 532760949 /nfs/dbraw/zinc/76/09/49/532760949.db2.gz UIRVYWCIPVZYFU-UHFFFAOYSA-N -1 1 381.466 2.478 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC=CCC2)c(F)c1 ZINC000451216097 532762422 /nfs/dbraw/zinc/76/24/22/532762422.db2.gz LWGMUZFQHHFOLK-LBPRGKRZSA-N -1 1 376.475 2.364 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2sccc2Br)CN1c1ccccc1 ZINC000542145175 532765006 /nfs/dbraw/zinc/76/50/06/532765006.db2.gz HPEUWFOMCQVOGN-LLVKDONJSA-N -1 1 387.280 2.204 20 0 GEADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1Cl ZINC000509386718 532766949 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Cn1[n-]c(CN2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)nc1=O ZINC000554958592 532807030 /nfs/dbraw/zinc/80/70/30/532807030.db2.gz OQCWSZJVXWQSGS-SNVBAGLBSA-N -1 1 396.264 2.389 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCc1ccco1 ZINC000550090024 532797486 /nfs/dbraw/zinc/79/74/86/532797486.db2.gz VJVDETFFGFQBSL-UHFFFAOYSA-N -1 1 377.249 2.224 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCN1c1cccnc1 ZINC000551562225 532800412 /nfs/dbraw/zinc/80/04/12/532800412.db2.gz ZAYZPCDFDIVWIO-CQSZACIVSA-N -1 1 383.832 2.348 20 0 GEADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1csnn1 ZINC000412810419 532801080 /nfs/dbraw/zinc/80/10/80/532801080.db2.gz XHXNBHIZXPXTTQ-ZETCQYMHSA-N -1 1 395.293 2.001 20 0 GEADMM CO[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1 ZINC000288017068 532815163 /nfs/dbraw/zinc/81/51/63/532815163.db2.gz HEERLYOBINLMMM-GFCCVEGCSA-N -1 1 388.287 2.157 20 0 GEADMM CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000272266151 532814108 /nfs/dbraw/zinc/81/41/08/532814108.db2.gz VTAZLAGZYNPENP-VHSXEESVSA-N -1 1 380.297 2.314 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c(C)c1F ZINC000272872241 532818572 /nfs/dbraw/zinc/81/85/72/532818572.db2.gz VSOJJGKFWVGLPM-UHFFFAOYSA-N -1 1 385.438 2.273 20 0 GEADMM CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000330508254 532820100 /nfs/dbraw/zinc/82/01/00/532820100.db2.gz IOJWTMZOXJZJOR-VXNVDRBHSA-N -1 1 376.327 2.491 20 0 GEADMM Cc1nncn1CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000414454668 532827992 /nfs/dbraw/zinc/82/79/92/532827992.db2.gz DYUAGWADBNAJCU-UHFFFAOYSA-N -1 1 397.657 2.120 20 0 GEADMM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000273637646 532829413 /nfs/dbraw/zinc/82/94/13/532829413.db2.gz UEQCMQOKEGDVCW-UHFFFAOYSA-N -1 1 398.275 2.170 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(N(C)C)nc2)no1 ZINC000273701885 532831748 /nfs/dbraw/zinc/83/17/48/532831748.db2.gz GRQVUFHQNTVRKM-SNVBAGLBSA-N -1 1 379.467 2.299 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000414617082 532833736 /nfs/dbraw/zinc/83/37/36/532833736.db2.gz XXECLMXROFKSLM-OAHLLOKOSA-N -1 1 381.230 2.332 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2cc(Br)cs2)C1=O ZINC000414650411 532833929 /nfs/dbraw/zinc/83/39/29/532833929.db2.gz FLWHETMZGTWCND-NWDGAFQWSA-N -1 1 375.288 2.310 20 0 GEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)cc2F)no1 ZINC000274687225 532853983 /nfs/dbraw/zinc/85/39/83/532853983.db2.gz PJHNFWSWVJSJMU-UHFFFAOYSA-N -1 1 378.223 2.493 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(Br)ccc2OC)s1 ZINC000289510933 532857417 /nfs/dbraw/zinc/85/74/17/532857417.db2.gz LUBIMDBELAMOBA-UHFFFAOYSA-N -1 1 392.300 2.350 20 0 GEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)no1 ZINC000289547305 532858362 /nfs/dbraw/zinc/85/83/62/532858362.db2.gz MWOFYUUAEQUTSC-QMMMGPOBSA-N -1 1 380.348 2.059 20 0 GEADMM COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289554447 532858545 /nfs/dbraw/zinc/85/85/45/532858545.db2.gz XKEOUXVRBPLRNF-ZDUSSCGKSA-N -1 1 385.251 2.499 20 0 GEADMM Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289590382 532859954 /nfs/dbraw/zinc/85/99/54/532859954.db2.gz PROZHUAEEXVHGJ-NSHDSACASA-N -1 1 382.379 2.213 20 0 GEADMM CCN(Cc1cccc(Br)c1)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416140431 532864924 /nfs/dbraw/zinc/86/49/24/532864924.db2.gz UCTBQDMIUIWMTF-UHFFFAOYSA-N -1 1 382.214 2.321 20 0 GEADMM O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000275162303 532866774 /nfs/dbraw/zinc/86/67/74/532866774.db2.gz AOQMLOCBZDDEIJ-SSDOTTSWSA-N -1 1 394.140 2.114 20 0 GEADMM CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416237012 532867876 /nfs/dbraw/zinc/86/78/76/532867876.db2.gz ATERDAMFWOFQOW-KCJUWKMLSA-N -1 1 385.193 2.014 20 0 GEADMM CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416239502 532868475 /nfs/dbraw/zinc/86/84/75/532868475.db2.gz HWIMECKSDUHTIY-SKDRFNHKSA-N -1 1 399.220 2.323 20 0 GEADMM CCSCc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)no1 ZINC000290465804 532881531 /nfs/dbraw/zinc/88/15/31/532881531.db2.gz VRZBXIMSOPEJRE-SNVBAGLBSA-N -1 1 379.404 2.458 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CCC1)C(C)(F)F ZINC000349481843 532881592 /nfs/dbraw/zinc/88/15/92/532881592.db2.gz OUPYOVCDTXQQSY-LLVKDONJSA-N -1 1 396.481 2.182 20 0 GEADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(C)C ZINC000349524648 532882214 /nfs/dbraw/zinc/88/22/14/532882214.db2.gz QFAWVGVBLRMAAM-UHFFFAOYSA-N -1 1 397.950 2.093 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)CCCC1 ZINC000290489231 532882270 /nfs/dbraw/zinc/88/22/70/532882270.db2.gz JAEHGNFMIVJGMD-UHFFFAOYSA-N -1 1 375.418 2.318 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCC2(C)C)n1 ZINC000349556630 532882914 /nfs/dbraw/zinc/88/29/14/532882914.db2.gz WZNVKFQEVQNIBV-AWEZNQCLSA-N -1 1 389.543 2.020 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCC2(C)C)c1 ZINC000349557343 532882937 /nfs/dbraw/zinc/88/29/37/532882937.db2.gz YRUGLSXQGRVFPM-AWEZNQCLSA-N -1 1 389.543 2.020 20 0 GEADMM CC[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1 ZINC000349561026 532883022 /nfs/dbraw/zinc/88/30/22/532883022.db2.gz ZLQKCAKUURDUQO-CABCVRRESA-N -1 1 389.543 2.020 20 0 GEADMM CCC(C)(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000349597980 532883676 /nfs/dbraw/zinc/88/36/76/532883676.db2.gz DEFFMFJSCQEXCS-UHFFFAOYSA-N -1 1 397.950 2.283 20 0 GEADMM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349609002 532883895 /nfs/dbraw/zinc/88/38/95/532883895.db2.gz HMHDEYDRAWROPC-CABCVRRESA-N -1 1 389.543 2.054 20 0 GEADMM CCC(=O)N[C@@H](CCSC)C(=O)Nc1nc(Br)ccc1[O-] ZINC000275906348 532885687 /nfs/dbraw/zinc/88/56/87/532885687.db2.gz RSALYCOALPRWFK-QMMMGPOBSA-N -1 1 376.276 2.136 20 0 GEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1)OC ZINC000421138453 532888174 /nfs/dbraw/zinc/88/81/74/532888174.db2.gz BBGMEBIPHGFGOY-ZDUSSCGKSA-N -1 1 385.511 2.300 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCO[C@@]2(CCOC2)C1 ZINC000290762444 532888828 /nfs/dbraw/zinc/88/88/28/532888828.db2.gz OUBVDJPRVWUYJC-KRWDZBQOSA-N -1 1 393.237 2.334 20 0 GEADMM C[C@@H](O)C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000291123583 532896136 /nfs/dbraw/zinc/89/61/36/532896136.db2.gz UQSFMDIMBDBZPX-MNOVXSKESA-N -1 1 395.308 2.034 20 0 GEADMM O=S(=O)([N-]C[C@H]1CN2CCCC[C@H]2CO1)c1sccc1Br ZINC000363149773 532897165 /nfs/dbraw/zinc/89/71/65/532897165.db2.gz GCDOVCAAOMQOBC-QWRGUYRKSA-N -1 1 395.344 2.042 20 0 GEADMM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000291858515 532909685 /nfs/dbraw/zinc/90/96/85/532909685.db2.gz DZACNRLIJPIHBA-YFKPBYRVSA-N -1 1 390.086 2.169 20 0 GEADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000365352788 532910053 /nfs/dbraw/zinc/91/00/53/532910053.db2.gz BTPIZLDJRWSHGO-UHFFFAOYSA-N -1 1 386.771 2.098 20 0 GEADMM Cc1nnc([C@H](NC(=O)CSc2n[nH]c(=S)s2)c2ccccc2)[nH]1 ZINC000365811488 532912043 /nfs/dbraw/zinc/91/20/43/532912043.db2.gz DGMHJBSLCCCABQ-LLVKDONJSA-N -1 1 378.508 2.251 20 0 GEADMM C[C@@H](NC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)c1cccs1 ZINC000292070732 532912682 /nfs/dbraw/zinc/91/26/82/532912682.db2.gz DMFZBLUILSNWJP-IJLUTSLNSA-N -1 1 377.432 2.457 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c(C)o1 ZINC000292693585 532917541 /nfs/dbraw/zinc/91/75/41/532917541.db2.gz CSUDRVMOKZQHMA-VIFPVBQESA-N -1 1 384.357 2.413 20 0 GEADMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1I ZINC000366648211 532919550 /nfs/dbraw/zinc/91/95/50/532919550.db2.gz AJZVQTCREBYCDL-LLVKDONJSA-N -1 1 397.220 2.133 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366656336 532919877 /nfs/dbraw/zinc/91/98/77/532919877.db2.gz PTVRKCZMAHMGCX-WDEREUQCSA-N -1 1 380.246 2.136 20 0 GEADMM CO[C@@H](C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000367038122 532922441 /nfs/dbraw/zinc/92/24/41/532922441.db2.gz XDAZHTXZZXMXBK-SDBXPKJASA-N -1 1 377.825 2.214 20 0 GEADMM O=S(=O)([N-]CC(F)(F)F)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000367022769 532922574 /nfs/dbraw/zinc/92/25/74/532922574.db2.gz JERQQZICKZQQJB-UHFFFAOYSA-N -1 1 380.314 2.005 20 0 GEADMM Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000293584189 532928986 /nfs/dbraw/zinc/92/89/86/532928986.db2.gz ANJHOKLWCJPOAC-RKDXNWHRSA-N -1 1 381.445 2.341 20 0 GEADMM CS(=O)(=O)CC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000294445035 532939265 /nfs/dbraw/zinc/93/92/65/532939265.db2.gz ZLVHOOXKFBRAHZ-UHFFFAOYSA-N -1 1 376.272 2.052 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CCCN1C(=O)c1ccncc1 ZINC000370476733 532943645 /nfs/dbraw/zinc/94/36/45/532943645.db2.gz OSJOCIKTDBYZOS-NSHDSACASA-N -1 1 391.225 2.188 20 0 GEADMM O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1cc(Br)ccc1[O-] ZINC000370582011 532944337 /nfs/dbraw/zinc/94/43/37/532944337.db2.gz HUQMLZVMUWGAIK-CYBMUJFWSA-N -1 1 390.237 2.194 20 0 GEADMM COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736912169 598833527 /nfs/dbraw/zinc/83/35/27/598833527.db2.gz ZQGKIVCRHRJFOK-CHWSQXEVSA-N -1 1 383.433 2.021 20 0 GEADMM CCN1C[C@@H](C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000736565917 598835680 /nfs/dbraw/zinc/83/56/80/598835680.db2.gz UKTWXNRJKVTUCW-AWEZNQCLSA-N -1 1 396.476 2.080 20 0 GEADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000737097011 598843229 /nfs/dbraw/zinc/84/32/29/598843229.db2.gz GWRGDZZSDKIFJK-UHFFFAOYSA-N -1 1 383.792 2.469 20 0 GEADMM CCN(c1ccccc1OC)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736564343 598843404 /nfs/dbraw/zinc/84/34/04/598843404.db2.gz DSMMNFZXJKMHSV-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CCN(c1ccccc1OC)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736564343 598843406 /nfs/dbraw/zinc/84/34/06/598843406.db2.gz DSMMNFZXJKMHSV-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CCC(=O)N[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736306480 598846415 /nfs/dbraw/zinc/84/64/15/598846415.db2.gz YSCJNTMFMMDNOF-NSHDSACASA-N -1 1 384.465 2.126 20 0 GEADMM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)c1 ZINC000738216023 598867451 /nfs/dbraw/zinc/86/74/51/598867451.db2.gz VGSVEEXRUPYDSV-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM CCn1cc(CN(C)C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)cn1 ZINC000736723016 598868766 /nfs/dbraw/zinc/86/87/66/598868766.db2.gz TZCVNULJQPZCAJ-UHFFFAOYSA-N -1 1 398.496 2.350 20 0 GEADMM O=C(NCc1cc[nH]n1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738112888 598907526 /nfs/dbraw/zinc/90/75/26/598907526.db2.gz UAJHMDCHNQVFFO-UHFFFAOYSA-N -1 1 380.437 2.318 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC000737626830 598914695 /nfs/dbraw/zinc/91/46/95/598914695.db2.gz MCQKDHKKSKDEBS-SNVBAGLBSA-N -1 1 392.345 2.246 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC000737626830 598914696 /nfs/dbraw/zinc/91/46/96/598914696.db2.gz MCQKDHKKSKDEBS-SNVBAGLBSA-N -1 1 392.345 2.246 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000737300545 598930195 /nfs/dbraw/zinc/93/01/95/598930195.db2.gz ANBWUHRBWWECLX-UHFFFAOYSA-N -1 1 395.448 2.221 20 0 GEADMM Cc1csc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000737452450 598941912 /nfs/dbraw/zinc/94/19/12/598941912.db2.gz KIRZQDWOSZFGIN-QMMMGPOBSA-N -1 1 382.906 2.457 20 0 GEADMM Cc1csc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000737452450 598941913 /nfs/dbraw/zinc/94/19/13/598941913.db2.gz KIRZQDWOSZFGIN-QMMMGPOBSA-N -1 1 382.906 2.457 20 0 GEADMM CC(=O)Nc1cccc2c1CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000735489052 598961667 /nfs/dbraw/zinc/96/16/67/598961667.db2.gz SWWZQLANLJBQCD-UHFFFAOYSA-N -1 1 386.419 2.331 20 0 GEADMM CC(=O)Nc1cccc2c1CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000735489052 598961668 /nfs/dbraw/zinc/96/16/68/598961668.db2.gz SWWZQLANLJBQCD-UHFFFAOYSA-N -1 1 386.419 2.331 20 0 GEADMM COc1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc(OC)c1O ZINC000737048398 598962472 /nfs/dbraw/zinc/96/24/72/598962472.db2.gz ZWLIXWVUSUNONJ-UHFFFAOYSA-N -1 1 379.380 2.145 20 0 GEADMM COc1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc(OC)c1O ZINC000737048398 598962473 /nfs/dbraw/zinc/96/24/73/598962473.db2.gz ZWLIXWVUSUNONJ-UHFFFAOYSA-N -1 1 379.380 2.145 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735636488 598964847 /nfs/dbraw/zinc/96/48/47/598964847.db2.gz WTMSTIGIAYEOGE-GFCCVEGCSA-N -1 1 396.455 2.161 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735636488 598964848 /nfs/dbraw/zinc/96/48/48/598964848.db2.gz WTMSTIGIAYEOGE-GFCCVEGCSA-N -1 1 396.455 2.161 20 0 GEADMM O=C(C1CCC1)N(CCCNc1c2ccccc2nnc1-c1nnn[n-]1)C1CC1 ZINC000737784883 598967388 /nfs/dbraw/zinc/96/73/88/598967388.db2.gz ODMRIUDRVKNEMB-UHFFFAOYSA-N -1 1 392.467 2.403 20 0 GEADMM O=C(C1CCC1)N(CCCNc1c2ccccc2nnc1-c1nn[n-]n1)C1CC1 ZINC000737784883 598967389 /nfs/dbraw/zinc/96/73/89/598967389.db2.gz ODMRIUDRVKNEMB-UHFFFAOYSA-N -1 1 392.467 2.403 20 0 GEADMM O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236497 598984393 /nfs/dbraw/zinc/98/43/93/598984393.db2.gz KKYPFTCJMJCPKR-UHFFFAOYSA-N -1 1 387.783 2.433 20 0 GEADMM O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236497 598984394 /nfs/dbraw/zinc/98/43/94/598984394.db2.gz KKYPFTCJMJCPKR-UHFFFAOYSA-N -1 1 387.783 2.433 20 0 GEADMM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738151719 598988566 /nfs/dbraw/zinc/98/85/66/598988566.db2.gz VSUWYNDIVRCILG-UHFFFAOYSA-N -1 1 383.375 2.248 20 0 GEADMM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738151719 598988569 /nfs/dbraw/zinc/98/85/69/598988569.db2.gz VSUWYNDIVRCILG-UHFFFAOYSA-N -1 1 383.375 2.248 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736118864 598992045 /nfs/dbraw/zinc/99/20/45/598992045.db2.gz KXKWWPJRUHZWDE-NSHDSACASA-N -1 1 392.423 2.037 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000736118864 598992047 /nfs/dbraw/zinc/99/20/47/598992047.db2.gz KXKWWPJRUHZWDE-NSHDSACASA-N -1 1 392.423 2.037 20 0 GEADMM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(=O)N1CCCC1 ZINC000737399420 598992676 /nfs/dbraw/zinc/99/26/76/598992676.db2.gz JXXUQGFNYGKGAB-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C(=O)N1CCCC1 ZINC000737399420 598992677 /nfs/dbraw/zinc/99/26/77/598992677.db2.gz JXXUQGFNYGKGAB-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145438 598993627 /nfs/dbraw/zinc/99/36/27/598993627.db2.gz LOGGBJHJADYOLA-UHFFFAOYSA-N -1 1 397.826 2.403 20 0 GEADMM O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145438 598993629 /nfs/dbraw/zinc/99/36/29/598993629.db2.gz LOGGBJHJADYOLA-UHFFFAOYSA-N -1 1 397.826 2.403 20 0 GEADMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2F)n1 ZINC000737257205 598994575 /nfs/dbraw/zinc/99/45/75/598994575.db2.gz UAZNOZDTUJFTEG-UHFFFAOYSA-N -1 1 378.371 2.456 20 0 GEADMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2F)n1 ZINC000737257205 598994577 /nfs/dbraw/zinc/99/45/77/598994577.db2.gz UAZNOZDTUJFTEG-UHFFFAOYSA-N -1 1 378.371 2.456 20 0 GEADMM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738191775 598998548 /nfs/dbraw/zinc/99/85/48/598998548.db2.gz WNDWVRITNANHGR-CQSZACIVSA-N -1 1 380.408 2.462 20 0 GEADMM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738191775 598998550 /nfs/dbraw/zinc/99/85/50/598998550.db2.gz WNDWVRITNANHGR-CQSZACIVSA-N -1 1 380.408 2.462 20 0 GEADMM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738018685 599001908 /nfs/dbraw/zinc/00/19/08/599001908.db2.gz DSIZUMAZJJYYJR-OCCSQVGLSA-N -1 1 385.225 2.310 20 0 GEADMM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738018685 599001910 /nfs/dbraw/zinc/00/19/10/599001910.db2.gz DSIZUMAZJJYYJR-OCCSQVGLSA-N -1 1 385.225 2.310 20 0 GEADMM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)CCC1 ZINC000735632884 599009951 /nfs/dbraw/zinc/00/99/51/599009951.db2.gz HQFIOOYMCHNZIH-UHFFFAOYSA-N -1 1 384.400 2.216 20 0 GEADMM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)CCC1 ZINC000735632884 599009953 /nfs/dbraw/zinc/00/99/53/599009953.db2.gz HQFIOOYMCHNZIH-UHFFFAOYSA-N -1 1 384.400 2.216 20 0 GEADMM CCOC(=O)CCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736591334 599015028 /nfs/dbraw/zinc/01/50/28/599015028.db2.gz AIOQSNDBVQZFLG-UHFFFAOYSA-N -1 1 387.396 2.449 20 0 GEADMM CCOC(=O)CCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736591334 599015030 /nfs/dbraw/zinc/01/50/30/599015030.db2.gz AIOQSNDBVQZFLG-UHFFFAOYSA-N -1 1 387.396 2.449 20 0 GEADMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2)n1 ZINC000737435617 599019197 /nfs/dbraw/zinc/01/91/97/599019197.db2.gz ATJZADQNGJGTFO-UHFFFAOYSA-N -1 1 393.432 2.433 20 0 GEADMM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736200453 599029339 /nfs/dbraw/zinc/02/93/39/599029339.db2.gz SICGYPPOKZEEIK-GFCCVEGCSA-N -1 1 399.405 2.059 20 0 GEADMM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736200453 599029340 /nfs/dbraw/zinc/02/93/40/599029340.db2.gz SICGYPPOKZEEIK-GFCCVEGCSA-N -1 1 399.405 2.059 20 0 GEADMM CCc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736690729 599030993 /nfs/dbraw/zinc/03/09/93/599030993.db2.gz MMGABYKNJLTPQY-UHFFFAOYSA-N -1 1 375.429 2.389 20 0 GEADMM CCc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736690729 599030995 /nfs/dbraw/zinc/03/09/95/599030995.db2.gz MMGABYKNJLTPQY-UHFFFAOYSA-N -1 1 375.429 2.389 20 0 GEADMM CSCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2[nH]1 ZINC000737183676 599031537 /nfs/dbraw/zinc/03/15/37/599031537.db2.gz USYLMPYPRRYJSI-HNNXBMFYSA-N -1 1 394.464 2.362 20 0 GEADMM CSCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2[nH]1 ZINC000737183676 599031539 /nfs/dbraw/zinc/03/15/39/599031539.db2.gz USYLMPYPRRYJSI-HNNXBMFYSA-N -1 1 394.464 2.362 20 0 GEADMM Cc1ccc(OCCN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737365954 599033191 /nfs/dbraw/zinc/03/31/91/599033191.db2.gz MVVJYHHRJKRWRZ-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM Cc1ccc(OCCN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737365954 599033193 /nfs/dbraw/zinc/03/31/93/599033193.db2.gz MVVJYHHRJKRWRZ-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000737200955 599091568 /nfs/dbraw/zinc/09/15/68/599091568.db2.gz OQSOZWIBRWRAKD-WBVHZDCISA-N -1 1 392.463 2.264 20 0 GEADMM Cc1ccc2c(c1)OCCN2C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737378572 599094465 /nfs/dbraw/zinc/09/44/65/599094465.db2.gz UVJPEXPNKVIGSJ-UHFFFAOYSA-N -1 1 394.435 2.251 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000737548956 599096028 /nfs/dbraw/zinc/09/60/28/599096028.db2.gz RUSZQIJUZYPZNO-MAZHCROVSA-N -1 1 396.451 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000737548956 599096029 /nfs/dbraw/zinc/09/60/29/599096029.db2.gz RUSZQIJUZYPZNO-MAZHCROVSA-N -1 1 396.451 2.492 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1C ZINC000736950355 599098432 /nfs/dbraw/zinc/09/84/32/599098432.db2.gz YGMWEIGPPZGZKK-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736407593 599131774 /nfs/dbraw/zinc/13/17/74/599131774.db2.gz AGXISHVJJOJDDU-AWEZNQCLSA-N -1 1 398.448 2.016 20 0 GEADMM CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736407593 599131776 /nfs/dbraw/zinc/13/17/76/599131776.db2.gz AGXISHVJJOJDDU-AWEZNQCLSA-N -1 1 398.448 2.016 20 0 GEADMM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736159573 599134242 /nfs/dbraw/zinc/13/42/42/599134242.db2.gz WSXXBEQEUNIMFH-AWEZNQCLSA-N -1 1 394.435 2.244 20 0 GEADMM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736159573 599134244 /nfs/dbraw/zinc/13/42/44/599134244.db2.gz WSXXBEQEUNIMFH-AWEZNQCLSA-N -1 1 394.435 2.244 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@H](c3ccccc3C)C2)c(-c2nn[n-]n2)c1C ZINC000737423346 599143109 /nfs/dbraw/zinc/14/31/09/599143109.db2.gz PHBQDETZQDKSES-INIZCTEOSA-N -1 1 396.451 2.397 20 0 GEADMM FC(F)(F)CN1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737625816 599149176 /nfs/dbraw/zinc/14/91/76/599149176.db2.gz CJGKBKIFXBTQDW-UHFFFAOYSA-N -1 1 377.374 2.489 20 0 GEADMM FC(F)(F)CN1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737625816 599149178 /nfs/dbraw/zinc/14/91/78/599149178.db2.gz CJGKBKIFXBTQDW-UHFFFAOYSA-N -1 1 377.374 2.489 20 0 GEADMM CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735497221 599153354 /nfs/dbraw/zinc/15/33/54/599153354.db2.gz QMFXPTRRMXIXTL-UHFFFAOYSA-N -1 1 388.181 2.446 20 0 GEADMM CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735497221 599153356 /nfs/dbraw/zinc/15/33/56/599153356.db2.gz QMFXPTRRMXIXTL-UHFFFAOYSA-N -1 1 388.181 2.446 20 0 GEADMM CC(=O)c1ccc(N2CCC(OC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000735496118 599153454 /nfs/dbraw/zinc/15/34/54/599153454.db2.gz VEGWGZOMGSRWAD-UHFFFAOYSA-N -1 1 392.419 2.290 20 0 GEADMM CC(=O)c1ccc(N2CCC(OC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000735496118 599153457 /nfs/dbraw/zinc/15/34/57/599153457.db2.gz VEGWGZOMGSRWAD-UHFFFAOYSA-N -1 1 392.419 2.290 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000737199543 599163302 /nfs/dbraw/zinc/16/33/02/599163302.db2.gz IBKFTGYICIXWGH-CQSZACIVSA-N -1 1 382.424 2.473 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1 ZINC000735628520 599165966 /nfs/dbraw/zinc/16/59/66/599165966.db2.gz VIOMALQLGBXJIB-CYBMUJFWSA-N -1 1 396.451 2.439 20 0 GEADMM CN1CC[C@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1=O ZINC000736856151 599186048 /nfs/dbraw/zinc/18/60/48/599186048.db2.gz NFLMGZVMFYZVRQ-HNNXBMFYSA-N -1 1 397.366 2.186 20 0 GEADMM CN1CC[C@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1=O ZINC000736856151 599186051 /nfs/dbraw/zinc/18/60/51/599186051.db2.gz NFLMGZVMFYZVRQ-HNNXBMFYSA-N -1 1 397.366 2.186 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C2CCCC1CCC2 ZINC000737488497 599227081 /nfs/dbraw/zinc/22/70/81/599227081.db2.gz WHKYZYIKGTYDJD-UHFFFAOYSA-N -1 1 394.483 2.392 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C2CCCC1CCC2 ZINC000737488497 599227083 /nfs/dbraw/zinc/22/70/83/599227083.db2.gz WHKYZYIKGTYDJD-UHFFFAOYSA-N -1 1 394.483 2.392 20 0 GEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818603502 597312676 /nfs/dbraw/zinc/31/26/76/597312676.db2.gz ZXIBLEVFTAHEBE-UHFFFAOYSA-N -1 1 378.406 2.082 20 0 GEADMM C[C@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)[O-] ZINC000818034591 597319732 /nfs/dbraw/zinc/31/97/32/597319732.db2.gz QJALCTOJIRETQR-AWEZNQCLSA-N -1 1 376.457 2.486 20 0 GEADMM CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)C(=O)[O-] ZINC000820405426 597350050 /nfs/dbraw/zinc/35/00/50/597350050.db2.gz LPYKLJAKQRZYLZ-OAHLLOKOSA-N -1 1 393.403 2.057 20 0 GEADMM CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)[O-] ZINC000820405426 597350052 /nfs/dbraw/zinc/35/00/52/597350052.db2.gz LPYKLJAKQRZYLZ-OAHLLOKOSA-N -1 1 393.403 2.057 20 0 GEADMM C[C@@H](C(=O)[O-])N(C)C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000269082841 597459319 /nfs/dbraw/zinc/45/93/19/597459319.db2.gz IUVSGXPJSXEIPX-LBPRGKRZSA-N -1 1 377.466 2.177 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc1 ZINC000533189331 597464826 /nfs/dbraw/zinc/46/48/26/597464826.db2.gz NZCHRTIEITYISH-GFCCVEGCSA-N -1 1 392.433 2.041 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)[O-])cc1 ZINC000738107497 597494560 /nfs/dbraw/zinc/49/45/60/597494560.db2.gz DUOITHWYXVBVHK-NSHDSACASA-N -1 1 379.390 2.126 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000818583030 597505969 /nfs/dbraw/zinc/50/59/69/597505969.db2.gz NYBGSCKUXAFHNF-FUHWJXTLSA-N -1 1 375.469 2.338 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ncccc1Br ZINC000822154034 607326127 /nfs/dbraw/zinc/32/61/27/607326127.db2.gz SWTVOUAAYIHKES-UHFFFAOYSA-N -1 1 395.242 2.133 20 0 GEADMM CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736819282 598260757 /nfs/dbraw/zinc/26/07/57/598260757.db2.gz CVSLMFGRTJVDFQ-UHFFFAOYSA-N -1 1 380.433 2.236 20 0 GEADMM CN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736819282 598260759 /nfs/dbraw/zinc/26/07/59/598260759.db2.gz CVSLMFGRTJVDFQ-UHFFFAOYSA-N -1 1 380.433 2.236 20 0 GEADMM O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340556 598261386 /nfs/dbraw/zinc/26/13/86/598261386.db2.gz YYIBDIILKQOQRY-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340556 598261387 /nfs/dbraw/zinc/26/13/87/598261387.db2.gz YYIBDIILKQOQRY-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736829047 598261695 /nfs/dbraw/zinc/26/16/95/598261695.db2.gz VPCJNENYHCEMII-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736829047 598261697 /nfs/dbraw/zinc/26/16/97/598261697.db2.gz VPCJNENYHCEMII-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CC(C)Oc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735915215 598264625 /nfs/dbraw/zinc/26/46/25/598264625.db2.gz LZNCUUYFDJPGTR-LBPRGKRZSA-N -1 1 388.453 2.088 20 0 GEADMM CC(C)Oc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735915215 598264626 /nfs/dbraw/zinc/26/46/26/598264626.db2.gz LZNCUUYFDJPGTR-LBPRGKRZSA-N -1 1 388.453 2.088 20 0 GEADMM CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736481547 598270020 /nfs/dbraw/zinc/27/00/20/598270020.db2.gz WILUXCPJPJUYNM-UHFFFAOYSA-N -1 1 376.417 2.002 20 0 GEADMM CCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736481547 598270021 /nfs/dbraw/zinc/27/00/21/598270021.db2.gz WILUXCPJPJUYNM-UHFFFAOYSA-N -1 1 376.417 2.002 20 0 GEADMM Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000737334410 598271018 /nfs/dbraw/zinc/27/10/18/598271018.db2.gz HGJHZFKCCVRZOC-INIZCTEOSA-N -1 1 398.492 2.214 20 0 GEADMM Cc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000737334410 598271019 /nfs/dbraw/zinc/27/10/19/598271019.db2.gz HGJHZFKCCVRZOC-INIZCTEOSA-N -1 1 398.492 2.214 20 0 GEADMM O=S(=O)(NCc1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344251 598271384 /nfs/dbraw/zinc/27/13/84/598271384.db2.gz DFLSGBLGXWITIR-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=S(=O)(NCc1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344251 598271385 /nfs/dbraw/zinc/27/13/85/598271385.db2.gz DFLSGBLGXWITIR-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=S(=O)(c1ccccc1)c1ccc(Oc2nccnc2-c2nn[n-]n2)cc1 ZINC000738356750 598346395 /nfs/dbraw/zinc/34/63/95/598346395.db2.gz JFRSCRWWBMNNAO-UHFFFAOYSA-N -1 1 380.389 2.282 20 0 GEADMM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1nccnc1-c1nnn[n-]1 ZINC000736798143 598348121 /nfs/dbraw/zinc/34/81/21/598348121.db2.gz QUMZMBNLKFBBMT-UHFFFAOYSA-N -1 1 393.430 2.265 20 0 GEADMM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1nccnc1-c1nn[n-]n1 ZINC000736798143 598348123 /nfs/dbraw/zinc/34/81/23/598348123.db2.gz QUMZMBNLKFBBMT-UHFFFAOYSA-N -1 1 393.430 2.265 20 0 GEADMM O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1sccc1-c1nn[n-]n1 ZINC000738244391 598372118 /nfs/dbraw/zinc/37/21/18/598372118.db2.gz HWTMCLVQSWKYSZ-UHFFFAOYSA-N -1 1 398.360 2.064 20 0 GEADMM O=C(CC1=CCCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737808685 598400683 /nfs/dbraw/zinc/40/06/83/598400683.db2.gz QLMRQTXGBUDZEI-UHFFFAOYSA-N -1 1 383.456 2.271 20 0 GEADMM O=C(O[C@@H]1CCOC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738216006 598412660 /nfs/dbraw/zinc/41/26/60/598412660.db2.gz UPIRBMMSZXXMAX-CQSZACIVSA-N -1 1 384.323 2.270 20 0 GEADMM O=C(O[C@@H]1CCOC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738216006 598412661 /nfs/dbraw/zinc/41/26/61/598412661.db2.gz UPIRBMMSZXXMAX-CQSZACIVSA-N -1 1 384.323 2.270 20 0 GEADMM COC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000736981691 598418141 /nfs/dbraw/zinc/41/81/41/598418141.db2.gz ZPXQGUWVRLDCLR-MRXNPFEDSA-N -1 1 396.451 2.021 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000737488217 598422180 /nfs/dbraw/zinc/42/21/80/598422180.db2.gz RMZGPYVWVZHYAZ-LBPRGKRZSA-N -1 1 390.451 2.336 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000737488217 598422181 /nfs/dbraw/zinc/42/21/81/598422181.db2.gz RMZGPYVWVZHYAZ-LBPRGKRZSA-N -1 1 390.451 2.336 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc3ncoc3c2)c(-c2nn[n-]n2)c1C ZINC000737554016 598426856 /nfs/dbraw/zinc/42/68/56/598426856.db2.gz ZJCALKRDYDYTGH-UHFFFAOYSA-N -1 1 382.336 2.013 20 0 GEADMM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736911135 598442732 /nfs/dbraw/zinc/44/27/32/598442732.db2.gz SIQRXFXPUSQEGH-UONOGXRCSA-N -1 1 394.391 2.110 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCSC(C)(C)C ZINC000737199522 598455538 /nfs/dbraw/zinc/45/55/38/598455538.db2.gz HMSVLYIEJPSBTC-UHFFFAOYSA-N -1 1 378.502 2.165 20 0 GEADMM O=S(=O)([N-]c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccc2c(c1)COC2 ZINC000738345440 598500400 /nfs/dbraw/zinc/50/04/00/598500400.db2.gz MKWLTLDOPXPNNR-UHFFFAOYSA-N -1 1 377.813 2.351 20 0 GEADMM CCN(Cc1ccccc1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736559484 598502181 /nfs/dbraw/zinc/50/21/81/598502181.db2.gz YBNAGZPIBLYHPK-UHFFFAOYSA-N -1 1 388.431 2.230 20 0 GEADMM CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C1CCCCC1 ZINC000736506052 598502375 /nfs/dbraw/zinc/50/23/75/598502375.db2.gz PITYKGWQHXSXMP-UHFFFAOYSA-N -1 1 380.452 2.363 20 0 GEADMM Cc1oc(NC(=O)COC(=O)Cc2cc(C)ccc2C)c(-c2nn[n-]n2)c1C ZINC000737321022 598559296 /nfs/dbraw/zinc/55/92/96/598559296.db2.gz BJMJZCBGVDXENU-UHFFFAOYSA-N -1 1 383.408 2.418 20 0 GEADMM Clc1ccc(N2CCN(c3ncnc4sccc43)CC2)nc1-c1nnn[n-]1 ZINC000737574613 598573460 /nfs/dbraw/zinc/57/34/60/598573460.db2.gz IDJJOQWIUWRJDG-UHFFFAOYSA-N -1 1 399.871 2.246 20 0 GEADMM Clc1ccc(N2CCN(c3ncnc4sccc43)CC2)nc1-c1nn[n-]n1 ZINC000737574613 598573461 /nfs/dbraw/zinc/57/34/61/598573461.db2.gz IDJJOQWIUWRJDG-UHFFFAOYSA-N -1 1 399.871 2.246 20 0 GEADMM O=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738269945 598573478 /nfs/dbraw/zinc/57/34/78/598573478.db2.gz ZAORSVALYTVHMZ-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM O=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738269945 598573479 /nfs/dbraw/zinc/57/34/79/598573479.db2.gz ZAORSVALYTVHMZ-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1ccccc1C(N)=O ZINC000737549704 598584896 /nfs/dbraw/zinc/58/48/96/598584896.db2.gz XNUFXDPGWSMYIZ-UHFFFAOYSA-N -1 1 392.375 2.015 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1ccccc1C(N)=O ZINC000737549704 598584898 /nfs/dbraw/zinc/58/48/98/598584898.db2.gz XNUFXDPGWSMYIZ-UHFFFAOYSA-N -1 1 392.375 2.015 20 0 GEADMM COCc1noc(C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000737022647 598610818 /nfs/dbraw/zinc/61/08/18/598610818.db2.gz YVJNVJOORKJDOD-UHFFFAOYSA-N -1 1 398.383 2.028 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCCc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000737187345 598614232 /nfs/dbraw/zinc/61/42/32/598614232.db2.gz QTEWNPZTHULUBX-UHFFFAOYSA-N -1 1 388.428 2.191 20 0 GEADMM CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736820214 598688181 /nfs/dbraw/zinc/68/81/81/598688181.db2.gz SOQWONHCNAGJPZ-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC ZINC000736371500 598690093 /nfs/dbraw/zinc/69/00/93/598690093.db2.gz VMVVMWIWXLKMEZ-OAHLLOKOSA-N -1 1 391.428 2.444 20 0 GEADMM Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737340517 598691867 /nfs/dbraw/zinc/69/18/67/598691867.db2.gz HBOINDNDVOIAFX-UHFFFAOYSA-N -1 1 377.401 2.261 20 0 GEADMM Cc1cc(C)c(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737247513 598693989 /nfs/dbraw/zinc/69/39/89/598693989.db2.gz WIJXOMNIEQPVFO-UHFFFAOYSA-N -1 1 375.429 2.410 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737187080 598722370 /nfs/dbraw/zinc/72/23/70/598722370.db2.gz OPZYFPIKAVXQGL-LLVKDONJSA-N -1 1 382.449 2.149 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000737487005 598735192 /nfs/dbraw/zinc/73/51/92/598735192.db2.gz HHASOMZCQVGGII-VXGBXAGGSA-N -1 1 382.472 2.248 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000737487005 598735194 /nfs/dbraw/zinc/73/51/94/598735194.db2.gz HHASOMZCQVGGII-VXGBXAGGSA-N -1 1 382.472 2.248 20 0 GEADMM COc1cc(OC)cc([C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737051920 599303995 /nfs/dbraw/zinc/30/39/95/599303995.db2.gz MDFFFDCIMLNCGU-JTQLQIEISA-N -1 1 382.833 2.139 20 0 GEADMM COc1cc(OC)cc([C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737051920 599303997 /nfs/dbraw/zinc/30/39/97/599303997.db2.gz MDFFFDCIMLNCGU-JTQLQIEISA-N -1 1 382.833 2.139 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3ccn(C)c3c2)cc1-c1nn[n-]n1 ZINC000821978286 599316498 /nfs/dbraw/zinc/31/64/98/599316498.db2.gz LGOSUGKVBIDBAS-UHFFFAOYSA-N -1 1 381.421 2.433 20 0 GEADMM CN(CCOc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736802439 599334075 /nfs/dbraw/zinc/33/40/75/599334075.db2.gz SDQUURMSEIXNOY-UHFFFAOYSA-N -1 1 393.856 2.220 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737552764 599335493 /nfs/dbraw/zinc/33/54/93/599335493.db2.gz QJQKFGIGDWTBRQ-GFCCVEGCSA-N -1 1 399.432 2.448 20 0 GEADMM C[C@H](c1cccnc1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820570482 599339435 /nfs/dbraw/zinc/33/94/35/599339435.db2.gz KPTVMMWFYUOIMW-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOc2ccccc2C1 ZINC000823601317 599340977 /nfs/dbraw/zinc/34/09/77/599340977.db2.gz ZTLQUWUKOLILMO-UHFFFAOYSA-N -1 1 391.840 2.103 20 0 GEADMM CCS[C@@H]1CCCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821454683 599342305 /nfs/dbraw/zinc/34/23/05/599342305.db2.gz GXWOSXITOBCLHV-LLVKDONJSA-N -1 1 385.490 2.302 20 0 GEADMM CCS[C@@H]1CCCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821454683 599342307 /nfs/dbraw/zinc/34/23/07/599342307.db2.gz GXWOSXITOBCLHV-LLVKDONJSA-N -1 1 385.490 2.302 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823601055 599363697 /nfs/dbraw/zinc/36/36/97/599363697.db2.gz PGRSHLUUZSGQGO-AWEZNQCLSA-N -1 1 376.829 2.051 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000823601055 599363700 /nfs/dbraw/zinc/36/37/00/599363700.db2.gz PGRSHLUUZSGQGO-AWEZNQCLSA-N -1 1 376.829 2.051 20 0 GEADMM O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173104 599387574 /nfs/dbraw/zinc/38/75/74/599387574.db2.gz JERGIEAZYWSSOB-IAGOWNOFSA-N -1 1 380.408 2.196 20 0 GEADMM O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173104 599387577 /nfs/dbraw/zinc/38/75/77/599387577.db2.gz JERGIEAZYWSSOB-IAGOWNOFSA-N -1 1 380.408 2.196 20 0 GEADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1cccc(-c2nnn[n-]2)n1)CC3 ZINC000736948812 599405118 /nfs/dbraw/zinc/40/51/18/599405118.db2.gz NIMYDQHABRKADV-UHFFFAOYSA-N -1 1 375.392 2.092 20 0 GEADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1cccc(-c2nn[n-]n2)n1)CC3 ZINC000736948812 599405120 /nfs/dbraw/zinc/40/51/20/599405120.db2.gz NIMYDQHABRKADV-UHFFFAOYSA-N -1 1 375.392 2.092 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)C[C@@H](C)O1 ZINC000736292604 599419032 /nfs/dbraw/zinc/41/90/32/599419032.db2.gz PIQJGNAEAAVFTI-ZIAGYGMSSA-N -1 1 393.451 2.123 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2)C[C@@H](C)O1 ZINC000736292604 599419034 /nfs/dbraw/zinc/41/90/34/599419034.db2.gz PIQJGNAEAAVFTI-ZIAGYGMSSA-N -1 1 393.451 2.123 20 0 GEADMM CCCC1=C(C(=O)OC)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC1CC1 ZINC000821034971 599492119 /nfs/dbraw/zinc/49/21/19/599492119.db2.gz XPQKESMJYVXCLE-OAHLLOKOSA-N -1 1 386.412 2.163 20 0 GEADMM CCCC1=C(C(=O)OC)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC1CC1 ZINC000821034971 599492120 /nfs/dbraw/zinc/49/21/20/599492120.db2.gz XPQKESMJYVXCLE-OAHLLOKOSA-N -1 1 386.412 2.163 20 0 GEADMM CCN(CC)C(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821169691 599492806 /nfs/dbraw/zinc/49/28/06/599492806.db2.gz AYKBHOILORYNPZ-MRXNPFEDSA-N -1 1 399.455 2.078 20 0 GEADMM CCN(CC)C(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821169691 599492809 /nfs/dbraw/zinc/49/28/09/599492809.db2.gz AYKBHOILORYNPZ-MRXNPFEDSA-N -1 1 399.455 2.078 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000737188130 599495299 /nfs/dbraw/zinc/49/52/99/599495299.db2.gz ZUDIBCDSENDHFN-OAHLLOKOSA-N -1 1 396.476 2.440 20 0 GEADMM Oc1cccc(CN2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC000823731859 599515292 /nfs/dbraw/zinc/51/52/92/599515292.db2.gz GCFFZLWIYWESMD-UHFFFAOYSA-N -1 1 377.861 2.004 20 0 GEADMM CC[C@H](C)OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736323003 599603761 /nfs/dbraw/zinc/60/37/61/599603761.db2.gz ACKPWYHSOVNZRG-LURJTMIESA-N -1 1 377.348 2.420 20 0 GEADMM CCOCCOCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000821383583 599657618 /nfs/dbraw/zinc/65/76/18/599657618.db2.gz FXESYPKGEYBJBM-UHFFFAOYSA-N -1 1 382.424 2.376 20 0 GEADMM CCOCCOCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000821383583 599657619 /nfs/dbraw/zinc/65/76/19/599657619.db2.gz FXESYPKGEYBJBM-UHFFFAOYSA-N -1 1 382.424 2.376 20 0 GEADMM CC(C)CO[C@@H](C)c1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000820097160 599689477 /nfs/dbraw/zinc/68/94/77/599689477.db2.gz KNZVRLUICNTVHY-LBPRGKRZSA-N -1 1 395.423 2.347 20 0 GEADMM CCN1CCN(c2ccc(CNC(=O)c3ccccc3NC(=O)[O-])cn2)CC1 ZINC000737122991 599708994 /nfs/dbraw/zinc/70/89/94/599708994.db2.gz OGYFFQRCLZSFRN-UHFFFAOYSA-N -1 1 383.452 2.243 20 0 GEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C\c2ccccc2Br)n1 ZINC000739920916 599738853 /nfs/dbraw/zinc/73/88/53/599738853.db2.gz VVSLNXBDWUYUGL-VURMDHGXSA-N -1 1 386.227 2.143 20 0 GEADMM O=C([O-])NCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000739966678 599753786 /nfs/dbraw/zinc/75/37/86/599753786.db2.gz NRLAPGSAIZREAB-UHFFFAOYSA-N -1 1 377.422 2.474 20 0 GEADMM CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccc(OC)c1 ZINC000737084677 599767783 /nfs/dbraw/zinc/76/77/83/599767783.db2.gz CIMJGSHUWOPTSP-HNNXBMFYSA-N -1 1 396.465 2.348 20 0 GEADMM CN1CCN(C[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737525230 599788935 /nfs/dbraw/zinc/78/89/35/599788935.db2.gz CXUPNKXTDIEMIQ-IBGZPJMESA-N -1 1 382.464 2.495 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000736650759 599853962 /nfs/dbraw/zinc/85/39/62/599853962.db2.gz PMGWXLFKUULGDJ-MFKMUULPSA-N -1 1 386.433 2.075 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000738275711 599930023 /nfs/dbraw/zinc/93/00/23/599930023.db2.gz VUWFQRYWCPWVQS-INIZCTEOSA-N -1 1 376.478 2.144 20 0 GEADMM NC(=O)c1ccc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)nc1 ZINC000739176531 599938022 /nfs/dbraw/zinc/93/80/22/599938022.db2.gz HGJJXSGLTHKUKB-UHFFFAOYSA-N -1 1 396.472 2.416 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)CC(=O)Nc3cc(C(=O)[O-])ccc3C)C2)nn1 ZINC000738614339 599957277 /nfs/dbraw/zinc/95/72/77/599957277.db2.gz KNELNSYSJQIKRT-KRWDZBQOSA-N -1 1 397.479 2.331 20 0 GEADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000738916101 599974868 /nfs/dbraw/zinc/97/48/68/599974868.db2.gz WKIUPDZTVYBONT-CJAAZZPWSA-N -1 1 398.916 2.410 20 0 GEADMM O=C([O-])CC[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000739659165 599984840 /nfs/dbraw/zinc/98/48/40/599984840.db2.gz JFVFIQBLRKLATB-MRXNPFEDSA-N -1 1 394.431 2.405 20 0 GEADMM O=C([O-])CC[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000739659163 599984943 /nfs/dbraw/zinc/98/49/43/599984943.db2.gz JFVFIQBLRKLATB-INIZCTEOSA-N -1 1 394.431 2.405 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)N2C[C@H](N(C)C)Cc3ccccc32)c(C(=O)[O-])c1C ZINC000736173026 599997641 /nfs/dbraw/zinc/99/76/41/599997641.db2.gz NDHAWWSXFZRBKC-OAHLLOKOSA-N -1 1 383.448 2.286 20 0 GEADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737699449 600005894 /nfs/dbraw/zinc/00/58/94/600005894.db2.gz CBWWPFYPWLQZTQ-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM O=C([O-])C1CCN(C(=O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000738545650 600014573 /nfs/dbraw/zinc/01/45/73/600014573.db2.gz ZOBQYCIRRLMGKU-IBGZPJMESA-N -1 1 394.899 2.409 20 0 GEADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(C)c(C(=O)[O-])s3)cc2C[C@@H]1C ZINC000736142700 600054318 /nfs/dbraw/zinc/05/43/18/600054318.db2.gz PVYDXYXCCNIPET-QMMMGPOBSA-N -1 1 395.462 2.248 20 0 GEADMM Cc1nc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)sc1C(=O)[O-] ZINC000738363177 600054547 /nfs/dbraw/zinc/05/45/47/600054547.db2.gz FFRPWXVYVNWPFB-UHFFFAOYSA-N -1 1 381.435 2.077 20 0 GEADMM C[C@@](NC(=O)c1ccc2[nH]nnc2c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736656801 600072027 /nfs/dbraw/zinc/07/20/27/600072027.db2.gz MAAPRHLJNJYNPD-INIZCTEOSA-N -1 1 389.209 2.450 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2[nH]c1=S ZINC000739013315 600073626 /nfs/dbraw/zinc/07/36/26/600073626.db2.gz FARFNONAENQKJP-UHFFFAOYSA-N -1 1 381.413 2.076 20 0 GEADMM CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737367563 600169524 /nfs/dbraw/zinc/16/95/24/600169524.db2.gz NTNGTBSTHAFONL-UHFFFAOYSA-N -1 1 397.884 2.186 20 0 GEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000737492341 600180849 /nfs/dbraw/zinc/18/08/49/600180849.db2.gz QOROHIXUTYRCKN-UHFFFAOYSA-N -1 1 379.420 2.316 20 0 GEADMM CC(C)(O)COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000736344179 600245967 /nfs/dbraw/zinc/24/59/67/600245967.db2.gz UQIGBXKWHJEETH-UHFFFAOYSA-N -1 1 383.397 2.474 20 0 GEADMM CC(C)[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736390136 600274950 /nfs/dbraw/zinc/27/49/50/600274950.db2.gz GOIPYCTUSBIHJS-AWEZNQCLSA-N -1 1 389.481 2.307 20 0 GEADMM CCOC[C@@H]1CCCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000737161304 600285681 /nfs/dbraw/zinc/28/56/81/600285681.db2.gz GXHVFWURPYWMAC-DNVCBOLYSA-N -1 1 387.480 2.028 20 0 GEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCC1(c3ccccc3)CCOCC1)CC2 ZINC000739277830 600288445 /nfs/dbraw/zinc/28/84/45/600288445.db2.gz IDURCHFCLFKJRN-GOSISDBHSA-N -1 1 386.492 2.038 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1 ZINC000737361860 600297624 /nfs/dbraw/zinc/29/76/24/600297624.db2.gz PYPJNHADWXGSJC-MRXNPFEDSA-N -1 1 391.374 2.021 20 0 GEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738039735 600302318 /nfs/dbraw/zinc/30/23/18/600302318.db2.gz NGRFGKYXUGYRQH-UHFFFAOYSA-N -1 1 393.421 2.222 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736218827 600305878 /nfs/dbraw/zinc/30/58/78/600305878.db2.gz TXZQKWGCBJGPQO-PBHICJAKSA-N -1 1 385.464 2.327 20 0 GEADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737094237 600318960 /nfs/dbraw/zinc/31/89/60/600318960.db2.gz MRWXCDJHXPKQBJ-HNNXBMFYSA-N -1 1 376.453 2.052 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736652623 600331238 /nfs/dbraw/zinc/33/12/38/600331238.db2.gz JCEVJADMRMHCLK-GFCCVEGCSA-N -1 1 395.419 2.430 20 0 GEADMM O=C([O-])C1CCN(C(=O)CN2CCC(CN3CCc4ccccc43)CC2)CC1 ZINC000738545278 600337323 /nfs/dbraw/zinc/33/73/23/600337323.db2.gz OIBVPVGMTPYFSN-UHFFFAOYSA-N -1 1 385.508 2.084 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)N(C)C)c1 ZINC000738093007 600341417 /nfs/dbraw/zinc/34/14/17/600341417.db2.gz UGIYREMRNFGCEK-SJORKVTESA-N -1 1 375.469 2.194 20 0 GEADMM C[C@H](CN(C)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000736576179 600366356 /nfs/dbraw/zinc/36/63/56/600366356.db2.gz XCXFDLOVFLMQBM-NXEZZACHSA-N -1 1 387.358 2.032 20 0 GEADMM COc1ccc(OC)c(-c2csc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])n2)c1 ZINC000738044143 600372002 /nfs/dbraw/zinc/37/20/02/600372002.db2.gz KPPLFNRDJUIPKJ-NSHDSACASA-N -1 1 393.465 2.418 20 0 GEADMM Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1C(=O)[O-] ZINC000738411984 600466811 /nfs/dbraw/zinc/46/68/11/600466811.db2.gz YHAQSKDESWNVHD-KRWDZBQOSA-N -1 1 387.411 2.190 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000738093729 600486645 /nfs/dbraw/zinc/48/66/45/600486645.db2.gz YLLGAUXGFYJVRU-AEFFLSMTSA-N -1 1 375.469 2.338 20 0 GEADMM CC1(C)CN(C2(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)CCCCC2)CCO1 ZINC000263197647 600495846 /nfs/dbraw/zinc/49/58/46/600495846.db2.gz HBQQVVNRSRPORV-MRXNPFEDSA-N -1 1 381.517 2.306 20 0 GEADMM O=C([O-])CCN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H]1CCCO1 ZINC000739715993 600512299 /nfs/dbraw/zinc/51/22/99/600512299.db2.gz AWVIWZCCUQOKDQ-HNNXBMFYSA-N -1 1 385.464 2.008 20 0 GEADMM CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000514945836 600542250 /nfs/dbraw/zinc/54/22/50/600542250.db2.gz YFIJGTYEWCUDPY-UHFFFAOYSA-N -1 1 394.415 2.173 20 0 GEADMM CC[C@@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)C(=O)[O-] ZINC000736862571 600561605 /nfs/dbraw/zinc/56/16/05/600561605.db2.gz CZRHLEAEBSFBHL-MLCYQJTMSA-N -1 1 382.482 2.441 20 0 GEADMM COc1ccc(S(=O)(=O)N(CC(C)C)C2CCN(C)CC2)cc1C(=O)[O-] ZINC000738055956 600581237 /nfs/dbraw/zinc/58/12/37/600581237.db2.gz CGQVZCNIFMFMCY-UHFFFAOYSA-N -1 1 384.498 2.134 20 0 GEADMM CCOC(=O)C1C(CSC[C@@H](C)C(=O)[O-])=NC(=O)N[C@H]1c1ccccc1 ZINC000737133544 600604633 /nfs/dbraw/zinc/60/46/33/600604633.db2.gz GWJWJHAZGKFFAW-ABAIWWIYSA-N -1 1 378.450 2.312 20 0 GEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000736468996 600608882 /nfs/dbraw/zinc/60/88/82/600608882.db2.gz RTQHLKGMTDGGAP-MRXNPFEDSA-N -1 1 387.358 2.139 20 0 GEADMM O=C([O-])CCCc1nnc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000739707595 600636703 /nfs/dbraw/zinc/63/67/03/600636703.db2.gz BWODDQVWQHBATJ-AWEZNQCLSA-N -1 1 389.481 2.341 20 0 GEADMM O=C([O-])Cc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000545830563 600673752 /nfs/dbraw/zinc/67/37/52/600673752.db2.gz ZURRMELFTAYKQU-UHFFFAOYSA-N -1 1 382.781 2.202 20 0 GEADMM O=C([O-])NCc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000833280609 600684394 /nfs/dbraw/zinc/68/43/94/600684394.db2.gz MUDFMJLPWXPXGV-UHFFFAOYSA-N -1 1 397.796 2.343 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc1 ZINC000748646631 600686961 /nfs/dbraw/zinc/68/69/61/600686961.db2.gz FDROKCXDOWELSY-UHFFFAOYSA-N -1 1 389.433 2.034 20 0 GEADMM COC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc1C(=O)[O-] ZINC000831435043 600689644 /nfs/dbraw/zinc/68/96/44/600689644.db2.gz MCCAPELWVAAQFH-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM CCN(CC)[C@H](CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000829666347 600698248 /nfs/dbraw/zinc/69/82/48/600698248.db2.gz DIWRNSSTMOHTLE-QGZVFWFLSA-N -1 1 395.481 2.083 20 0 GEADMM O=C([O-])C[C@@H]1CSCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000739659302 600699488 /nfs/dbraw/zinc/69/94/88/600699488.db2.gz UJKBABRQFAZDAQ-SECBINFHSA-N -1 1 384.255 2.358 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000262962236 600715076 /nfs/dbraw/zinc/71/50/76/600715076.db2.gz JDLIQUBHDVNZPP-SFHVURJKSA-N -1 1 388.512 2.013 20 0 GEADMM Cc1ccc([C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)N2CCCC2)cc1 ZINC000832923499 600730341 /nfs/dbraw/zinc/73/03/41/600730341.db2.gz NFZXZMHSSBTCPE-QGZVFWFLSA-N -1 1 377.466 2.137 20 0 GEADMM COC(=O)c1c(N)sc(C(=O)[O-])c1COC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000737649156 600735863 /nfs/dbraw/zinc/73/58/63/600735863.db2.gz JDPOADMWXJHFSB-AEJSXWLSSA-N -1 1 384.454 2.120 20 0 GEADMM COC(=O)c1sc(N)c(C(=O)[O-])c1COC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000737719423 600737235 /nfs/dbraw/zinc/73/72/35/600737235.db2.gz YUQCCIXSQNLYIZ-KXUCPTDWSA-N -1 1 384.454 2.120 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1cccs1 ZINC000831079221 600744207 /nfs/dbraw/zinc/74/42/07/600744207.db2.gz SRLSTFIQRTXQNT-LBPRGKRZSA-N -1 1 389.838 2.292 20 0 GEADMM CCN(CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000829666662 600767118 /nfs/dbraw/zinc/76/71/18/600767118.db2.gz ORSQLVPUHNVTCK-KRWDZBQOSA-N -1 1 379.482 2.085 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c(C(=O)[O-])s1 ZINC000737679887 600784280 /nfs/dbraw/zinc/78/42/80/600784280.db2.gz DNUXVSMVHXLBSJ-UHFFFAOYSA-N -1 1 395.336 2.451 20 0 GEADMM Cc1ccc(S(=O)(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1C(=O)[O-] ZINC000832956171 600786759 /nfs/dbraw/zinc/78/67/59/600786759.db2.gz MRWNFLDOLWULAR-UHFFFAOYSA-N -1 1 388.489 2.071 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000266725795 600816817 /nfs/dbraw/zinc/81/68/17/600816817.db2.gz MUTREZIEZNOUPC-UHFFFAOYSA-N -1 1 394.449 2.408 20 0 GEADMM Cc1oc(NC(=O)CN2CCN(C)c3cc(F)ccc32)c(-c2nn[n-]n2)c1C ZINC000826341943 607470377 /nfs/dbraw/zinc/47/03/77/607470377.db2.gz UDUHADLAEAZJFI-UHFFFAOYSA-N -1 1 385.403 2.111 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1OCC[NH+]1CCCC1 ZINC000832898440 600829790 /nfs/dbraw/zinc/82/97/90/600829790.db2.gz JWQWZYZJWXYDSO-UHFFFAOYSA-N -1 1 393.465 2.297 20 0 GEADMM CC[C@@H](O)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000829004781 600841662 /nfs/dbraw/zinc/84/16/62/600841662.db2.gz QNSGKZBRDXZHDY-QGZVFWFLSA-N -1 1 375.494 2.397 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)[nH]c2c1 ZINC000832959596 600863785 /nfs/dbraw/zinc/86/37/85/600863785.db2.gz WXEQLVZFFQLRIX-UHFFFAOYSA-N -1 1 395.419 2.236 20 0 GEADMM Cc1nnc(SCCC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)[nH]1 ZINC000833020692 600886737 /nfs/dbraw/zinc/88/67/37/600886737.db2.gz AERYLDHBSUSOMP-UHFFFAOYSA-N -1 1 385.449 2.360 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)Nc3cccc(OCC(=O)[O-])c3)c2)CC1 ZINC000738022328 600888232 /nfs/dbraw/zinc/88/82/32/600888232.db2.gz PTIAHABDPZCKDX-UHFFFAOYSA-N -1 1 383.448 2.150 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)c2)CC1 ZINC000830954730 600891066 /nfs/dbraw/zinc/89/10/66/600891066.db2.gz GYMWPLVPRDAYEO-UHFFFAOYSA-N -1 1 383.448 2.150 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])c2)CC1 ZINC000248569658 600896163 /nfs/dbraw/zinc/89/61/63/600896163.db2.gz RGYIPPSLDZSGQE-SXLOBPIMSA-N -1 1 385.508 2.292 20 0 GEADMM Cc1sc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)c(C(=O)[O-])c1C ZINC000738398810 600898141 /nfs/dbraw/zinc/89/81/41/600898141.db2.gz YHIKVELMZSIRRM-UHFFFAOYSA-N -1 1 399.432 2.103 20 0 GEADMM Cc1sc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c(C(=O)[O-])c1C ZINC000738398810 600898143 /nfs/dbraw/zinc/89/81/43/600898143.db2.gz YHIKVELMZSIRRM-UHFFFAOYSA-N -1 1 399.432 2.103 20 0 GEADMM CCN1CCN(CC(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CC1 ZINC000829775778 600908094 /nfs/dbraw/zinc/90/80/94/600908094.db2.gz CADDRJFOVBLFBJ-UHFFFAOYSA-N -1 1 388.493 2.013 20 0 GEADMM Cc1nnc(SCCC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)[nH]1 ZINC000833021061 600977850 /nfs/dbraw/zinc/97/78/50/600977850.db2.gz FXFFDAPCDSVNHK-UHFFFAOYSA-N -1 1 384.408 2.377 20 0 GEADMM C[C@@H]1CN(c2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cn2)C[C@@H](C)O1 ZINC000828499828 600978746 /nfs/dbraw/zinc/97/87/46/600978746.db2.gz IWPRQDRMQGCGKP-GHMZBOCLSA-N -1 1 397.478 2.256 20 0 GEADMM C[C@@](NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)(C(=O)[O-])C1CC1 ZINC000827728246 601030922 /nfs/dbraw/zinc/03/09/22/601030922.db2.gz QENWQIHNTWPILW-FQEVSTJZSA-N -1 1 388.464 2.186 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000035297173 601032363 /nfs/dbraw/zinc/03/23/63/601032363.db2.gz SSIJTJCIUNOTHG-JTQLQIEISA-N -1 1 388.205 2.026 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCN(C)CC34CCCCC4)nc(=O)c12 ZINC000832853283 601047517 /nfs/dbraw/zinc/04/75/17/601047517.db2.gz TWWZDIBCDAJXSC-UHFFFAOYSA-N -1 1 390.509 2.442 20 0 GEADMM COc1cc(C(=O)[O-])cc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1OC ZINC000831904456 601076666 /nfs/dbraw/zinc/07/66/66/601076666.db2.gz XCFJYCSYYYVIIG-STQMWFEESA-N -1 1 395.456 2.023 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000630223463 601086376 /nfs/dbraw/zinc/08/63/76/601086376.db2.gz KWKVXOYDEAOOAV-AWEZNQCLSA-N -1 1 390.871 2.206 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1 ZINC000827380301 601087303 /nfs/dbraw/zinc/08/73/03/601087303.db2.gz QXKPRNLNHOZJAF-HNNXBMFYSA-N -1 1 399.447 2.177 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000630223142 601087378 /nfs/dbraw/zinc/08/73/78/601087378.db2.gz KEDLUIPBARHLBP-ZDUSSCGKSA-N -1 1 376.844 2.147 20 0 GEADMM C[C@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000827486720 601088885 /nfs/dbraw/zinc/08/88/85/601088885.db2.gz SPJHMYMNFLKWJD-OAHLLOKOSA-N -1 1 376.501 2.054 20 0 GEADMM Cc1cc(C)n(Cc2ccc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2)n1 ZINC000630222677 601091206 /nfs/dbraw/zinc/09/12/06/601091206.db2.gz HVZZURQVROKFJV-MRXNPFEDSA-N -1 1 384.480 2.169 20 0 GEADMM Cc1cc(C)n(-c2ccc(CC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2)n1 ZINC000630222237 601092933 /nfs/dbraw/zinc/09/29/33/601092933.db2.gz FNRRBCBEMCXWQB-MRXNPFEDSA-N -1 1 384.480 2.039 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 ZINC000827378825 601094412 /nfs/dbraw/zinc/09/44/12/601094412.db2.gz AIIDJRVSFWQFFB-AWEZNQCLSA-N -1 1 375.469 2.292 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1Cc1ccccn1 ZINC000832862148 601095886 /nfs/dbraw/zinc/09/58/86/601095886.db2.gz VMUWLMQDGCXSLY-OAHLLOKOSA-N -1 1 384.480 2.169 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000630226028 601097689 /nfs/dbraw/zinc/09/76/89/601097689.db2.gz UWPCRSPAOOWJMA-INIZCTEOSA-N -1 1 383.448 2.282 20 0 GEADMM Cc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cnn1-c1cccc(Cl)c1 ZINC000630225902 601100720 /nfs/dbraw/zinc/10/07/20/601100720.db2.gz YARMKUYFEVOGGH-CYBMUJFWSA-N -1 1 390.871 2.455 20 0 GEADMM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829194035 601103422 /nfs/dbraw/zinc/10/34/22/601103422.db2.gz RRWVZPCJAYBIOI-AUUYWEPGSA-N -1 1 385.505 2.077 20 0 GEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000827046928 601126661 /nfs/dbraw/zinc/12/66/61/601126661.db2.gz ADEVDGFHRVUUCP-HNNXBMFYSA-N -1 1 391.468 2.358 20 0 GEADMM CC(=O)Nc1c(C)ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C ZINC000825878810 601130242 /nfs/dbraw/zinc/13/02/42/601130242.db2.gz CPGOSVCOUIFMCT-CYBMUJFWSA-N -1 1 376.457 2.275 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649540661 601131775 /nfs/dbraw/zinc/13/17/75/601131775.db2.gz AUGOFCMTOGCVMA-UHFFFAOYSA-N -1 1 390.484 2.356 20 0 GEADMM COC(=O)c1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000831410972 601133943 /nfs/dbraw/zinc/13/39/43/601133943.db2.gz RAMKRZBNJBSIPU-LLVKDONJSA-N -1 1 383.832 2.139 20 0 GEADMM C[C@](NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)(C(=O)[O-])C1CC1 ZINC000827729032 601173953 /nfs/dbraw/zinc/17/39/53/601173953.db2.gz XMJTZAFGTRQUGV-GOSISDBHSA-N -1 1 399.413 2.197 20 0 GEADMM CN(CCOc1ccc(Br)cc1)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000830791968 601175653 /nfs/dbraw/zinc/17/56/53/601175653.db2.gz JSXHVCMOLLSRFE-QGZVFWFLSA-N -1 1 399.285 2.129 20 0 GEADMM CN(C)[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Cc1ccccc1 ZINC000830584807 601229525 /nfs/dbraw/zinc/22/95/25/601229525.db2.gz CDXBWXMVFKSLJU-ZDUSSCGKSA-N -1 1 398.431 2.114 20 0 GEADMM CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829118888 601236007 /nfs/dbraw/zinc/23/60/07/601236007.db2.gz LAXJOQKBXHINKO-LLVKDONJSA-N -1 1 376.425 2.206 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1F ZINC000390558543 601244835 /nfs/dbraw/zinc/24/48/35/601244835.db2.gz RHGGTZQGBHLVHP-OAHLLOKOSA-N -1 1 392.452 2.467 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCSC[C@@H]3CC(=O)[O-])n[nH]2)cc1OC ZINC000832116095 601289788 /nfs/dbraw/zinc/28/97/88/601289788.db2.gz IBUKGVAVQAYXMU-LBPRGKRZSA-N -1 1 391.449 2.126 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000476258546 601320364 /nfs/dbraw/zinc/32/03/64/601320364.db2.gz PZCHLXPRWVXVJX-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM CC[C@H]1CN2CCCC[C@@H]2CN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829160239 601323300 /nfs/dbraw/zinc/32/33/00/601323300.db2.gz GFMZONMKPFHLKZ-QWHCGFSZSA-N -1 1 390.509 2.440 20 0 GEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436993284 601331070 /nfs/dbraw/zinc/33/10/70/601331070.db2.gz AKHJTMPKXOSURZ-UHFFFAOYSA-N -1 1 379.390 2.295 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C(=O)[O-])C3)c2C1 ZINC000632984750 601342395 /nfs/dbraw/zinc/34/23/95/601342395.db2.gz IVSPGLYAOCGVQO-HOCLYGCPSA-N -1 1 387.480 2.308 20 0 GEADMM CC(C)(CO)N1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000826616461 601354256 /nfs/dbraw/zinc/35/42/56/601354256.db2.gz HZYMILQYWJEYTK-UHFFFAOYSA-N -1 1 375.494 2.397 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000832204081 601362710 /nfs/dbraw/zinc/36/27/10/601362710.db2.gz BHJFHZSYVKANTP-UHFFFAOYSA-N -1 1 378.406 2.023 20 0 GEADMM COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1NC(C)=O ZINC000832419110 601383872 /nfs/dbraw/zinc/38/38/72/601383872.db2.gz AXQAMSFFTWGRHT-UHFFFAOYSA-N -1 1 399.812 2.201 20 0 GEADMM CNS(=O)(=O)C[C@@H]1CCCN1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000831025625 601386988 /nfs/dbraw/zinc/38/69/88/601386988.db2.gz VEEXCGASTJEEJL-JTQLQIEISA-N -1 1 386.470 2.252 20 0 GEADMM CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000426007214 601387009 /nfs/dbraw/zinc/38/70/09/601387009.db2.gz ZVCDBXJGGTZXBD-UHFFFAOYSA-N -1 1 392.433 2.286 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccc(Cl)cc1 ZINC000831079307 601387700 /nfs/dbraw/zinc/38/77/00/601387700.db2.gz UIKWRJQHTUMCMS-CYBMUJFWSA-N -1 1 387.797 2.132 20 0 GEADMM CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000425965402 601387919 /nfs/dbraw/zinc/38/79/19/601387919.db2.gz ILHTUJVTJBGKSS-UHFFFAOYSA-N -1 1 392.433 2.286 20 0 GEADMM CCOC(=O)C1CCN(C(=O)CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CC1 ZINC000829837791 601434706 /nfs/dbraw/zinc/43/47/06/601434706.db2.gz MUPYGCLDYQMOKO-ZWKOTPCHSA-N -1 1 394.512 2.144 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000827950958 601469576 /nfs/dbraw/zinc/46/95/76/601469576.db2.gz UHUYAOVDIIOPEJ-QAPCUYQASA-N -1 1 395.459 2.204 20 0 GEADMM Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1C(=O)N(C)C ZINC000832900009 601485498 /nfs/dbraw/zinc/48/54/98/601485498.db2.gz XNYDRIBMCKVTFI-UHFFFAOYSA-N -1 1 397.840 2.244 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])cc2[nH]c1=S ZINC000833039997 601487760 /nfs/dbraw/zinc/48/77/60/601487760.db2.gz ZICAKTDEQQUYAG-MRXNPFEDSA-N -1 1 395.440 2.046 20 0 GEADMM C[C@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828441776 601539908 /nfs/dbraw/zinc/53/99/08/601539908.db2.gz SWMJYOSMJLAXCM-JSGCOSHPSA-N -1 1 376.844 2.176 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)cc(F)c1F ZINC000185124903 601575450 /nfs/dbraw/zinc/57/54/50/601575450.db2.gz VVPWYPKUNUEUGW-LBPRGKRZSA-N -1 1 388.436 2.302 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)N2CCCC2)cc1 ZINC000832240759 601637222 /nfs/dbraw/zinc/63/72/22/601637222.db2.gz HIYKKXGOSCLQQW-WBAXXEDZSA-N -1 1 375.469 2.194 20 0 GEADMM O=C([O-])[C@]1(NC(=O)[C@@H]2CSCCS2)CCCN(Cc2ccccc2)C1 ZINC000833128973 601741396 /nfs/dbraw/zinc/74/13/96/601741396.db2.gz QACGMFJDAAGIIP-YJBOKZPZSA-N -1 1 380.535 2.071 20 0 GEADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)[O-] ZINC000485865875 601752723 /nfs/dbraw/zinc/75/27/23/601752723.db2.gz WHNOPHNJKDJFMF-AWEZNQCLSA-N -1 1 392.433 2.089 20 0 GEADMM C[C@@H](CS(=O)(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000827532951 601781736 /nfs/dbraw/zinc/78/17/36/601781736.db2.gz MAVMZSVOXKPFJY-LBPRGKRZSA-N -1 1 396.431 2.120 20 0 GEADMM Cn1cc(NS(=O)(=O)c2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000833053130 601783746 /nfs/dbraw/zinc/78/37/46/601783746.db2.gz RDAHAUDGOHEHSM-UHFFFAOYSA-N -1 1 377.191 2.426 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000830049982 601796465 /nfs/dbraw/zinc/79/64/65/601796465.db2.gz UGGXMFKQGDKOJN-ZBFHGGJFSA-N -1 1 390.484 2.022 20 0 GEADMM Cc1nc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)sc1C(=O)[O-] ZINC000833003783 601812168 /nfs/dbraw/zinc/81/21/68/601812168.db2.gz XPZYVEPKJDYJIO-UHFFFAOYSA-N -1 1 381.435 2.180 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451594 601818524 /nfs/dbraw/zinc/81/85/24/601818524.db2.gz UWUJQGVIEIVDRE-GQNMWPQZSA-N -1 1 381.432 2.217 20 0 GEADMM COC(=O)CCC1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000831151917 601842401 /nfs/dbraw/zinc/84/24/01/601842401.db2.gz FLXFNYXPMNKFJV-AWEZNQCLSA-N -1 1 380.466 2.217 20 0 GEADMM COCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000326657619 601843470 /nfs/dbraw/zinc/84/34/70/601843470.db2.gz HYNWCGXCOMDNIG-UHFFFAOYSA-N -1 1 386.813 2.259 20 0 GEADMM COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000832000626 601850054 /nfs/dbraw/zinc/85/00/54/601850054.db2.gz WWKFECKXMMOYPK-UGSOOPFHSA-N -1 1 380.828 2.086 20 0 GEADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000833294049 601854899 /nfs/dbraw/zinc/85/48/99/601854899.db2.gz LNLNOVKTTHGGTL-NSHDSACASA-N -1 1 381.381 2.492 20 0 GEADMM CN1CCN(Cc2cccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])c2)CC1 ZINC000739736848 601905503 /nfs/dbraw/zinc/90/55/03/601905503.db2.gz ROGNRBLVSBZTKI-FQEVSTJZSA-N -1 1 396.491 2.251 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000263183576 601921387 /nfs/dbraw/zinc/92/13/87/601921387.db2.gz RUJRXURQFQEQMM-SFHVURJKSA-N -1 1 376.844 2.320 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000831930495 601956959 /nfs/dbraw/zinc/95/69/59/601956959.db2.gz ZMBBUHQMIUMNBD-GRYCIOLGSA-N -1 1 390.527 2.100 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000832914914 601969723 /nfs/dbraw/zinc/96/97/23/601969723.db2.gz XQKYYQMZYCKWEB-MAUKXSAKSA-N -1 1 395.459 2.411 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000832915330 601970002 /nfs/dbraw/zinc/97/00/02/601970002.db2.gz XQKYYQMZYCKWEB-YJBOKZPZSA-N -1 1 395.459 2.411 20 0 GEADMM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486861 607537015 /nfs/dbraw/zinc/53/70/15/607537015.db2.gz VDKKTYVAKYQQRW-UHFFFAOYSA-N -1 1 383.355 2.396 20 0 GEADMM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486861 607537017 /nfs/dbraw/zinc/53/70/17/607537017.db2.gz VDKKTYVAKYQQRW-UHFFFAOYSA-N -1 1 383.355 2.396 20 0 GEADMM Cn1c(=O)c2c3c(sc2nc1SCc1ccnc(-c2nnn[n-]2)c1)CCC3 ZINC000826356493 607537751 /nfs/dbraw/zinc/53/77/51/607537751.db2.gz SRZIDYFCXSNTCZ-UHFFFAOYSA-N -1 1 397.489 2.351 20 0 GEADMM Cn1c(=O)c2c3c(sc2nc1SCc1ccnc(-c2nn[n-]n2)c1)CCC3 ZINC000826356493 607537752 /nfs/dbraw/zinc/53/77/52/607537752.db2.gz SRZIDYFCXSNTCZ-UHFFFAOYSA-N -1 1 397.489 2.351 20 0 GEADMM COCCN1CC[C@@H](NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000831745009 602005568 /nfs/dbraw/zinc/00/55/68/602005568.db2.gz OGSALTWAOMOZEZ-GFCCVEGCSA-N -1 1 375.347 2.246 20 0 GEADMM CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000825248602 607538722 /nfs/dbraw/zinc/53/87/22/607538722.db2.gz WTEOPBMVZFYUKJ-LJQANCHMSA-N -1 1 377.408 2.009 20 0 GEADMM CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000825248602 607538724 /nfs/dbraw/zinc/53/87/24/607538724.db2.gz WTEOPBMVZFYUKJ-LJQANCHMSA-N -1 1 377.408 2.009 20 0 GEADMM Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740116214 602021294 /nfs/dbraw/zinc/02/12/94/602021294.db2.gz ARRKKAIPTRGRFN-HOTGVXAUSA-N -1 1 378.473 2.414 20 0 GEADMM Nn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1Cl ZINC000826397260 607540046 /nfs/dbraw/zinc/54/00/46/607540046.db2.gz ZHKYZXVNQVQCTG-UHFFFAOYSA-N -1 1 385.844 2.180 20 0 GEADMM Nn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccc1Cl ZINC000826397260 607540049 /nfs/dbraw/zinc/54/00/49/607540049.db2.gz ZHKYZXVNQVQCTG-UHFFFAOYSA-N -1 1 385.844 2.180 20 0 GEADMM C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738980054 602052795 /nfs/dbraw/zinc/05/27/95/602052795.db2.gz NKYSAUKJFNSOHB-JYJNAYRXSA-N -1 1 378.473 2.494 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000263153644 602068095 /nfs/dbraw/zinc/06/80/95/602068095.db2.gz BIVFBXLRKCGZKE-IBGZPJMESA-N -1 1 381.517 2.306 20 0 GEADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000829961319 602079396 /nfs/dbraw/zinc/07/93/96/602079396.db2.gz QOLIIQVTDBGUSO-CQSZACIVSA-N -1 1 396.241 2.401 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cn1 ZINC000740707960 602085279 /nfs/dbraw/zinc/08/52/79/602085279.db2.gz UFTGNOXZUOMHRJ-MRXNPFEDSA-N -1 1 397.435 2.063 20 0 GEADMM CCN(CC)CC(=O)Nc1ccc(C(=O)OC2CCN(C(=O)[O-])CC2)cc1 ZINC000739406412 602098212 /nfs/dbraw/zinc/09/82/12/602098212.db2.gz GFFMCLZUAWCQOH-UHFFFAOYSA-N -1 1 377.441 2.266 20 0 GEADMM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)NCCc2nc[nH]n2)c1 ZINC000833144379 602113067 /nfs/dbraw/zinc/11/30/67/602113067.db2.gz XXABLJGWXINTIJ-UHFFFAOYSA-N -1 1 381.392 2.446 20 0 GEADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3cc(-c4ccco4)n[nH]3)nc2)CC1 ZINC000740463848 602120231 /nfs/dbraw/zinc/12/02/31/602120231.db2.gz YKGUBGUUCKNZAZ-UHFFFAOYSA-N -1 1 382.380 2.117 20 0 GEADMM COc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)[nH]n2)cc1 ZINC000538504470 602168315 /nfs/dbraw/zinc/16/83/15/602168315.db2.gz ZGDZDRAMTGBDAT-UHFFFAOYSA-N -1 1 394.387 2.152 20 0 GEADMM O=C([O-])C1CCN(C(=O)CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000833190028 602346375 /nfs/dbraw/zinc/34/63/75/602346375.db2.gz IAYDYVNXQCNHNR-DLBZAZTESA-N -1 1 378.469 2.271 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000740174335 602384530 /nfs/dbraw/zinc/38/45/30/602384530.db2.gz TVHMFZBPXSZKNH-MRXNPFEDSA-N -1 1 377.485 2.200 20 0 GEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CCO2)n[nH]1 ZINC000829571833 602390510 /nfs/dbraw/zinc/39/05/10/602390510.db2.gz XGSRKKSJTRVTQH-ZDUSSCGKSA-N -1 1 377.376 2.200 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CCO2)n1 ZINC000829571833 602390512 /nfs/dbraw/zinc/39/05/12/602390512.db2.gz XGSRKKSJTRVTQH-ZDUSSCGKSA-N -1 1 377.376 2.200 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000833155200 602402833 /nfs/dbraw/zinc/40/28/33/602402833.db2.gz VSUQAZNCILJPNS-SFHVURJKSA-N -1 1 399.422 2.416 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)NCCN(C)C(=O)[O-])N1CCCCC1 ZINC000739962166 602443929 /nfs/dbraw/zinc/44/39/29/602443929.db2.gz IUGGZYZYGDMLTM-INIZCTEOSA-N -1 1 378.473 2.131 20 0 GEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000738951063 602449434 /nfs/dbraw/zinc/44/94/34/602449434.db2.gz NYVPTGOOFBHRNG-STQMWFEESA-N -1 1 383.439 2.380 20 0 GEADMM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])CC2)c1 ZINC000739983646 602519708 /nfs/dbraw/zinc/51/97/08/602519708.db2.gz HATQLQKUEAYEGW-OIISXLGYSA-N -1 1 388.468 2.050 20 0 GEADMM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000740015481 602524438 /nfs/dbraw/zinc/52/44/38/602524438.db2.gz GCYNHRSXQOJGRT-MRXNPFEDSA-N -1 1 379.526 2.499 20 0 GEADMM CCOc1cc(C=O)ccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825615654 607573543 /nfs/dbraw/zinc/57/35/43/607573543.db2.gz FKPHZHQRDCABOG-UHFFFAOYSA-N -1 1 388.405 2.154 20 0 GEADMM CN(C[C@H]1CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1)C(=O)[O-] ZINC000739661632 602531594 /nfs/dbraw/zinc/53/15/94/602531594.db2.gz ROIIWNIMXQSUPV-CYBMUJFWSA-N -1 1 389.374 2.133 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)CC1 ZINC000739456739 602552970 /nfs/dbraw/zinc/55/29/70/602552970.db2.gz OUVBOMKJWMCIEV-INIZCTEOSA-N -1 1 389.500 2.292 20 0 GEADMM CCCN(C(=O)Nc1ccccc1N1CCN(C)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739342070 602553594 /nfs/dbraw/zinc/55/35/94/602553594.db2.gz ICWJTBQMYNSCPM-INIZCTEOSA-N -1 1 389.500 2.435 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491607 607574193 /nfs/dbraw/zinc/57/41/93/607574193.db2.gz RPOOLGRDGMVRLB-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491607 607574195 /nfs/dbraw/zinc/57/41/95/607574195.db2.gz RPOOLGRDGMVRLB-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739960822 602580862 /nfs/dbraw/zinc/58/08/62/602580862.db2.gz GCVLRTLFYALGHL-WBVHZDCISA-N -1 1 390.484 2.274 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739960821 602580924 /nfs/dbraw/zinc/58/09/24/602580924.db2.gz GCVLRTLFYALGHL-RDJZCZTQSA-N -1 1 390.484 2.274 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)c1nnc2ccccc2c1O)NC(=O)[O-] ZINC000739964498 602588536 /nfs/dbraw/zinc/58/85/36/602588536.db2.gz ROTHMCPKTHZJGF-AWEZNQCLSA-N -1 1 382.376 2.083 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])N1CCCC1 ZINC000739958047 602612152 /nfs/dbraw/zinc/61/21/52/602612152.db2.gz KAUHASSUMWGJLO-HOCLYGCPSA-N -1 1 378.473 2.130 20 0 GEADMM COc1cccc([C@H](CNC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945824 602655416 /nfs/dbraw/zinc/65/54/16/602655416.db2.gz PHEPKCUEOCAETL-QAPCUYQASA-N -1 1 392.500 2.377 20 0 GEADMM CC(C)N(CCCNC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000738846180 602668776 /nfs/dbraw/zinc/66/87/76/602668776.db2.gz JNIKSMKAHAPEPK-UHFFFAOYSA-N -1 1 378.408 2.189 20 0 GEADMM CC(C)N(CCCNC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)[O-] ZINC000738846180 602668778 /nfs/dbraw/zinc/66/87/78/602668778.db2.gz JNIKSMKAHAPEPK-UHFFFAOYSA-N -1 1 378.408 2.189 20 0 GEADMM C[C@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738979103 602668816 /nfs/dbraw/zinc/66/88/16/602668816.db2.gz MOLQDBRIKCODDB-AAEUAGOBSA-N -1 1 390.419 2.189 20 0 GEADMM C[C@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738979103 602668818 /nfs/dbraw/zinc/66/88/18/602668818.db2.gz MOLQDBRIKCODDB-AAEUAGOBSA-N -1 1 390.419 2.189 20 0 GEADMM COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826189838 607580293 /nfs/dbraw/zinc/58/02/93/607580293.db2.gz GWINBKKOZUJBRQ-LLVKDONJSA-N -1 1 391.428 2.362 20 0 GEADMM O=S(=O)(NCCCOc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491237 607581132 /nfs/dbraw/zinc/58/11/32/607581132.db2.gz YUWGMADTYXHEGZ-UHFFFAOYSA-N -1 1 393.856 2.268 20 0 GEADMM O=S(=O)(NCCCOc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491237 607581134 /nfs/dbraw/zinc/58/11/34/607581134.db2.gz YUWGMADTYXHEGZ-UHFFFAOYSA-N -1 1 393.856 2.268 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(Cc1cccnc1)C1CC1 ZINC000826494573 607581623 /nfs/dbraw/zinc/58/16/23/607581623.db2.gz IHMJWNKOCIMYNJ-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM CN(CC(=O)Nc1ccc(Br)cn1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739627485 602705498 /nfs/dbraw/zinc/70/54/98/602705498.db2.gz PEFIMGAHNBLVRZ-LLVKDONJSA-N -1 1 385.262 2.104 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000740028105 602711872 /nfs/dbraw/zinc/71/18/72/602711872.db2.gz DYYAVKDLUIIVAY-UHFFFAOYSA-N -1 1 380.364 2.219 20 0 GEADMM O=S(=O)(NCCCCc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490657 607582946 /nfs/dbraw/zinc/58/29/46/607582946.db2.gz CEOXWWKYYVXLBF-UHFFFAOYSA-N -1 1 375.429 2.307 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)N2CCCC2)c1 ZINC000739946379 602754401 /nfs/dbraw/zinc/75/44/01/602754401.db2.gz UAOMUEMZFYRSLG-MAUKXSAKSA-N -1 1 390.484 2.226 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739901103 602785829 /nfs/dbraw/zinc/78/58/29/602785829.db2.gz BGLRVEPTWDFYOK-OFQRWUPVSA-N -1 1 393.484 2.029 20 0 GEADMM COc1ccc(CN(C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)C2CC2)cc1 ZINC000739904537 602789576 /nfs/dbraw/zinc/78/95/76/602789576.db2.gz QBBBBANHEWKINS-KDOFPFPSSA-N -1 1 375.469 2.164 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739498913 602795241 /nfs/dbraw/zinc/79/52/41/602795241.db2.gz VDJGYBCHXAXINC-IJEWVQPXSA-N -1 1 393.484 2.249 20 0 GEADMM CCCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825307739 607587018 /nfs/dbraw/zinc/58/70/18/607587018.db2.gz OHVGSKCCJLQNOE-UHFFFAOYSA-N -1 1 383.783 2.483 20 0 GEADMM CCCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825307739 607587019 /nfs/dbraw/zinc/58/70/19/607587019.db2.gz OHVGSKCCJLQNOE-UHFFFAOYSA-N -1 1 383.783 2.483 20 0 GEADMM COCc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826164586 607590199 /nfs/dbraw/zinc/59/01/99/607590199.db2.gz HWHYCUPKUVVRJZ-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000740080383 602883745 /nfs/dbraw/zinc/88/37/45/602883745.db2.gz PNLOOGQURCVYQG-HZPDHXFCSA-N -1 1 389.500 2.351 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488604 607598324 /nfs/dbraw/zinc/59/83/24/607598324.db2.gz UPQBNEQFVQKWBM-YPMHNXCESA-N -1 1 375.841 2.355 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488604 607598325 /nfs/dbraw/zinc/59/83/25/607598325.db2.gz UPQBNEQFVQKWBM-YPMHNXCESA-N -1 1 375.841 2.355 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2cnn(C(C)C)c2n1 ZINC000826261894 607599830 /nfs/dbraw/zinc/59/98/30/607599830.db2.gz WZUBFPQZSSQEMN-UHFFFAOYSA-N -1 1 378.396 2.253 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2cnn(C(C)C)c2n1 ZINC000826261894 607599832 /nfs/dbraw/zinc/59/98/32/607599832.db2.gz WZUBFPQZSSQEMN-UHFFFAOYSA-N -1 1 378.396 2.253 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CC2)c1 ZINC000740168815 603021061 /nfs/dbraw/zinc/02/10/61/603021061.db2.gz HDVMOBGKKWAZPW-RTBURBONSA-N -1 1 388.512 2.060 20 0 GEADMM O=C([O-])NC[C@H]1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000740643143 603036982 /nfs/dbraw/zinc/03/69/82/603036982.db2.gz QCTUXBZYEWLKGF-BXUZGUMPSA-N -1 1 387.358 2.280 20 0 GEADMM Cc1ccc(OCCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292227 607603711 /nfs/dbraw/zinc/60/37/11/607603711.db2.gz LZEPLTGNSFOZLP-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM Cc1ccc(OCCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292227 607603712 /nfs/dbraw/zinc/60/37/12/607603712.db2.gz LZEPLTGNSFOZLP-UHFFFAOYSA-N -1 1 391.428 2.062 20 0 GEADMM Cc1noc(C)c1CCC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000740260172 603059263 /nfs/dbraw/zinc/05/92/63/603059263.db2.gz VEDOPCDKXAKGHV-UHFFFAOYSA-N -1 1 384.396 2.415 20 0 GEADMM Cc1noc(C)c1CCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000740260172 603059265 /nfs/dbraw/zinc/05/92/65/603059265.db2.gz VEDOPCDKXAKGHV-UHFFFAOYSA-N -1 1 384.396 2.415 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cn4ccccc4n3)cc2)n1 ZINC000740681766 603059954 /nfs/dbraw/zinc/05/99/54/603059954.db2.gz TXWHNQJGWHZMKN-UHFFFAOYSA-N -1 1 377.364 2.139 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cn4ccccc4n3)cc2)n[nH]1 ZINC000740681766 603059959 /nfs/dbraw/zinc/05/99/59/603059959.db2.gz TXWHNQJGWHZMKN-UHFFFAOYSA-N -1 1 377.364 2.139 20 0 GEADMM O=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491987 607603963 /nfs/dbraw/zinc/60/39/63/607603963.db2.gz MVYUXKQWBCDDLA-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=S(=O)(Oc1cccc(Oc2ncccn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000826493618 607604175 /nfs/dbraw/zinc/60/41/75/607604175.db2.gz UGQSPSKMMUIXKD-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc3c(c2)OCCCO3)c1-c1nn[n-]n1 ZINC000826304344 607605069 /nfs/dbraw/zinc/60/50/69/607605069.db2.gz HZUXGMFJTVFJIG-UHFFFAOYSA-N -1 1 388.405 2.104 20 0 GEADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000823865859 603077999 /nfs/dbraw/zinc/07/79/99/603077999.db2.gz YMQJEHVGTHNIQD-UONOGXRCSA-N -1 1 387.440 2.011 20 0 GEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000823865859 603078005 /nfs/dbraw/zinc/07/80/05/603078005.db2.gz YMQJEHVGTHNIQD-UONOGXRCSA-N -1 1 387.440 2.011 20 0 GEADMM O=C([O-])NC[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000740610058 603078963 /nfs/dbraw/zinc/07/89/63/603078963.db2.gz FRKFAQDFTYFZOA-QGZVFWFLSA-N -1 1 378.448 2.136 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(F)c1 ZINC000824029898 607605981 /nfs/dbraw/zinc/60/59/81/607605981.db2.gz UEJCUSQJSSASBX-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000739008354 603126849 /nfs/dbraw/zinc/12/68/49/603126849.db2.gz GBOQJSFBBLJDQB-NSHDSACASA-N -1 1 390.419 2.189 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000739008354 603126851 /nfs/dbraw/zinc/12/68/51/603126851.db2.gz GBOQJSFBBLJDQB-NSHDSACASA-N -1 1 390.419 2.189 20 0 GEADMM Cc1noc2ncc(S(=O)(=O)Nc3cccc4c3CCN(C(=O)[O-])C4)cc12 ZINC000740267911 603182975 /nfs/dbraw/zinc/18/29/75/603182975.db2.gz VZJMHCCAXGFHES-UHFFFAOYSA-N -1 1 388.405 2.368 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000739455490 603183196 /nfs/dbraw/zinc/18/31/96/603183196.db2.gz IKPDAQQEBACEPP-CVEARBPZSA-N -1 1 389.500 2.338 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)CC1 ZINC000739455493 603183596 /nfs/dbraw/zinc/18/35/96/603183596.db2.gz IKPDAQQEBACEPP-JKSUJKDBSA-N -1 1 389.500 2.338 20 0 GEADMM Cc1cc(C)nc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c1 ZINC000826265936 607615793 /nfs/dbraw/zinc/61/57/93/607615793.db2.gz UMARCNDHSPBNIM-UHFFFAOYSA-N -1 1 391.439 2.109 20 0 GEADMM Cc1cc(C)nc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c1 ZINC000826265936 607615796 /nfs/dbraw/zinc/61/57/96/607615796.db2.gz UMARCNDHSPBNIM-UHFFFAOYSA-N -1 1 391.439 2.109 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)CCCNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739180241 603281811 /nfs/dbraw/zinc/28/18/11/603281811.db2.gz DTGMWYKAJYNDGB-IYBDPMFKSA-N -1 1 392.500 2.095 20 0 GEADMM Cc1ccc([C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826283614 607621473 /nfs/dbraw/zinc/62/14/73/607621473.db2.gz VZMHGKSCDIKTPA-LBPRGKRZSA-N -1 1 375.429 2.396 20 0 GEADMM Cc1ccc([C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826283614 607621474 /nfs/dbraw/zinc/62/14/74/607621474.db2.gz VZMHGKSCDIKTPA-LBPRGKRZSA-N -1 1 375.429 2.396 20 0 GEADMM C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739058837 603324307 /nfs/dbraw/zinc/32/43/07/603324307.db2.gz HQNFUOHPAUXNBG-CVEARBPZSA-N -1 1 385.468 2.415 20 0 GEADMM C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739058843 603324536 /nfs/dbraw/zinc/32/45/36/603324536.db2.gz HQNFUOHPAUXNBG-HZPDHXFCSA-N -1 1 385.468 2.415 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@H](C)O1 ZINC000739181549 603338595 /nfs/dbraw/zinc/33/85/95/603338595.db2.gz JWOIVIJSURYIAY-GASCZTMLSA-N -1 1 378.473 2.417 20 0 GEADMM C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739062455 603345564 /nfs/dbraw/zinc/34/55/64/603345564.db2.gz GCQZZABQQFKIQZ-KBPBESRZSA-N -1 1 391.497 2.477 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1)C(=O)[O-] ZINC000739443115 603346022 /nfs/dbraw/zinc/34/60/22/603346022.db2.gz OKZXLJJRRHYJKM-ROUUACIJSA-N -1 1 390.484 2.249 20 0 GEADMM CN1CCN(c2ccccc2NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000739737517 603369764 /nfs/dbraw/zinc/36/97/64/603369764.db2.gz XYQAYYREXAXTFB-MQVJKMGUSA-N -1 1 387.484 2.233 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000740141815 603414749 /nfs/dbraw/zinc/41/47/49/603414749.db2.gz RUNRNWKTXSPBQX-OFQRWUPVSA-N -1 1 376.457 2.318 20 0 GEADMM CCN(CC1CCN(CC(=O)N(C)Cc2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000827093475 603510929 /nfs/dbraw/zinc/51/09/29/603510929.db2.gz PQBDVDMLJRLOGF-UHFFFAOYSA-N -1 1 377.485 2.366 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](CNC(=O)[O-])C3)n[nH]2)cc1OC ZINC000829234083 603530056 /nfs/dbraw/zinc/53/00/56/603530056.db2.gz JZFOJVPUYAPQGL-LBPRGKRZSA-N -1 1 388.424 2.214 20 0 GEADMM CC(C)C[C@@H]1CC[N@@H+](CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232893 603592624 /nfs/dbraw/zinc/59/26/24/603592624.db2.gz USRUUMCTNCUZBI-DOXZYTNZSA-N -1 1 380.489 2.060 20 0 GEADMM CC(C)C[C@@H]1CCN(CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232893 603592628 /nfs/dbraw/zinc/59/26/28/603592628.db2.gz USRUUMCTNCUZBI-DOXZYTNZSA-N -1 1 380.489 2.060 20 0 GEADMM CC(C)C[C@@H]1CCCN1CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000824226184 603596193 /nfs/dbraw/zinc/59/61/93/603596193.db2.gz ZOZXHXUNLHCMOR-DOXZYTNZSA-N -1 1 380.489 2.203 20 0 GEADMM C[C@@H]1CCC[C@H](C)N(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889316 603605013 /nfs/dbraw/zinc/60/50/13/603605013.db2.gz WOIKIYZIMFXVGJ-GJRWTSMGSA-N -1 1 380.489 2.203 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)NC(=O)[O-] ZINC000824091749 603607841 /nfs/dbraw/zinc/60/78/41/603607841.db2.gz JPEYKAZVNMPKHL-GFCCVEGCSA-N -1 1 378.454 2.378 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829313127 603611081 /nfs/dbraw/zinc/61/10/81/603611081.db2.gz ZZXLAXPJNBGTQG-FUHWJXTLSA-N -1 1 390.484 2.226 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)N2CCCC2)c1 ZINC000829543574 603613539 /nfs/dbraw/zinc/61/35/39/603613539.db2.gz MWQZWEXIHDQWJX-FUHWJXTLSA-N -1 1 390.484 2.226 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)NC(=O)[O-] ZINC000824086619 603660154 /nfs/dbraw/zinc/66/01/54/603660154.db2.gz VKECEPZWYVROTF-CQSZACIVSA-N -1 1 392.435 2.435 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)NC(=O)[O-] ZINC000824086619 603660158 /nfs/dbraw/zinc/66/01/58/603660158.db2.gz VKECEPZWYVROTF-CQSZACIVSA-N -1 1 392.435 2.435 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CC1 ZINC000824168311 607645355 /nfs/dbraw/zinc/64/53/55/607645355.db2.gz ZSOKPLSGIHJTRR-UHFFFAOYSA-N -1 1 375.376 2.352 20 0 GEADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Cc1cccs1 ZINC000824429453 607645979 /nfs/dbraw/zinc/64/59/79/607645979.db2.gz XGGMYHUFKZTWNI-JTQLQIEISA-N -1 1 381.458 2.224 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000825192162 603718388 /nfs/dbraw/zinc/71/83/88/603718388.db2.gz CHULEXSEWOMFRW-APWZRJJASA-N -1 1 388.512 2.085 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000825194711 603719105 /nfs/dbraw/zinc/71/91/05/603719105.db2.gz QFLLDHCLEWSBBQ-APWZRJJASA-N -1 1 388.512 2.085 20 0 GEADMM Cc1ccc(C(=O)C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000830175931 603735617 /nfs/dbraw/zinc/73/56/17/603735617.db2.gz JMPQOVWFVTYWMM-UHFFFAOYSA-N -1 1 379.376 2.369 20 0 GEADMM Cc1ccc(C(=O)C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000830175931 603735618 /nfs/dbraw/zinc/73/56/18/603735618.db2.gz JMPQOVWFVTYWMM-UHFFFAOYSA-N -1 1 379.376 2.369 20 0 GEADMM COc1cccc([C@@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829544700 603812821 /nfs/dbraw/zinc/81/28/21/603812821.db2.gz XHNJXMCCMHCTNJ-APWZRJJASA-N -1 1 379.432 2.040 20 0 GEADMM CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)C1CCC(NC(=O)[O-])CC1 ZINC000828102728 603834870 /nfs/dbraw/zinc/83/48/70/603834870.db2.gz OMJQXUOCJWTOSS-UHFFFAOYSA-N -1 1 388.468 2.261 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@]3(F)CCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826059638 603839042 /nfs/dbraw/zinc/83/90/42/603839042.db2.gz XYVCPVLMYRCQRB-QEEYODRMSA-N -1 1 393.459 2.004 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829311654 603864905 /nfs/dbraw/zinc/86/49/05/603864905.db2.gz PIHUSJNKZQWXIN-YLJYHZDGSA-N -1 1 375.469 2.338 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2cccc3c2N(C(=O)[O-])CC3)NC(=S)N1 ZINC000825771869 603881822 /nfs/dbraw/zinc/88/18/22/603881822.db2.gz ABUWOAQYCJLMJN-CQSZACIVSA-N -1 1 375.450 2.472 20 0 GEADMM CCOCCN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[C@H]1CC ZINC000827399781 603898559 /nfs/dbraw/zinc/89/85/59/603898559.db2.gz PMKKEAQOONQMSN-KCBNDJSGSA-N -1 1 381.517 2.257 20 0 GEADMM CCC(CC)(CNC(=O)NC1CCN(Cc2ccccn2)CC1)NC(=O)[O-] ZINC000826141486 603946518 /nfs/dbraw/zinc/94/65/18/603946518.db2.gz ADYHGLBHVCEMRN-UHFFFAOYSA-N -1 1 377.489 2.172 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)NCC(C)(C)NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000826059319 603959552 /nfs/dbraw/zinc/95/95/52/603959552.db2.gz SZHIXRULFHTTIH-GASCZTMLSA-N -1 1 392.500 2.141 20 0 GEADMM CC(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824228457 607663549 /nfs/dbraw/zinc/66/35/49/607663549.db2.gz IMMNVJAUKQBVBD-XHDPSFHLSA-N -1 1 399.904 2.250 20 0 GEADMM CC(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824228457 607663551 /nfs/dbraw/zinc/66/35/51/607663551.db2.gz IMMNVJAUKQBVBD-XHDPSFHLSA-N -1 1 399.904 2.250 20 0 GEADMM CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824228451 607663812 /nfs/dbraw/zinc/66/38/12/607663812.db2.gz IMMNVJAUKQBVBD-ABAIWWIYSA-N -1 1 399.904 2.250 20 0 GEADMM CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824228451 607663814 /nfs/dbraw/zinc/66/38/14/607663814.db2.gz IMMNVJAUKQBVBD-ABAIWWIYSA-N -1 1 399.904 2.250 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824165984 607664896 /nfs/dbraw/zinc/66/48/96/607664896.db2.gz DKEXPAHWACKSKP-UHFFFAOYSA-N -1 1 397.382 2.498 20 0 GEADMM Cc1cnc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826317578 607665965 /nfs/dbraw/zinc/66/59/65/607665965.db2.gz HVMCQDQWTGBPSG-UHFFFAOYSA-N -1 1 398.901 2.499 20 0 GEADMM Cc1cnc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826317578 607665966 /nfs/dbraw/zinc/66/59/66/607665966.db2.gz HVMCQDQWTGBPSG-UHFFFAOYSA-N -1 1 398.901 2.499 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000827418213 604014430 /nfs/dbraw/zinc/01/44/30/604014430.db2.gz KORPLEJCOHRUHM-QGZVFWFLSA-N -1 1 378.473 2.068 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000827418273 604015032 /nfs/dbraw/zinc/01/50/32/604015032.db2.gz MDHWYAJUIDQLKK-KRWDZBQOSA-N -1 1 390.484 2.308 20 0 GEADMM CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000828266010 604044291 /nfs/dbraw/zinc/04/42/91/604044291.db2.gz AYROJTKQJPYKDS-ACRUOGEOSA-N -1 1 384.476 2.472 20 0 GEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000831704766 604058401 /nfs/dbraw/zinc/05/84/01/604058401.db2.gz TXPRMQUNGGRFLY-QGZVFWFLSA-N -1 1 382.395 2.466 20 0 GEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825170501 607674797 /nfs/dbraw/zinc/67/47/97/607674797.db2.gz AILISWPSPYBYBG-ZIAGYGMSSA-N -1 1 397.476 2.220 20 0 GEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825170501 607674798 /nfs/dbraw/zinc/67/47/98/607674798.db2.gz AILISWPSPYBYBG-ZIAGYGMSSA-N -1 1 397.476 2.220 20 0 GEADMM O=C([O-])N[C@@H](CNC(=O)NCc1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000832135248 604153956 /nfs/dbraw/zinc/15/39/56/604153956.db2.gz JPUWJPUGKGAECD-HNNXBMFYSA-N -1 1 380.408 2.280 20 0 GEADMM O=C([O-])N[C@@H](CNC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000832135248 604153959 /nfs/dbraw/zinc/15/39/59/604153959.db2.gz JPUWJPUGKGAECD-HNNXBMFYSA-N -1 1 380.408 2.280 20 0 GEADMM O=S(=O)(NCCC[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490814 607676946 /nfs/dbraw/zinc/67/69/46/607676946.db2.gz INXVNDAHCLERES-WCQYABFASA-N -1 1 399.904 2.130 20 0 GEADMM O=S(=O)(NCCC[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490814 607676948 /nfs/dbraw/zinc/67/69/48/607676948.db2.gz INXVNDAHCLERES-WCQYABFASA-N -1 1 399.904 2.130 20 0 GEADMM Cc1cc(CC(=O)Nc2ccccc2C(=O)OC2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830029731 604190908 /nfs/dbraw/zinc/19/09/08/604190908.db2.gz IQOQGSIUPGJZDW-UHFFFAOYSA-N -1 1 386.408 2.199 20 0 GEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1OC ZINC000829440509 604191051 /nfs/dbraw/zinc/19/10/51/604191051.db2.gz CLPAGCIVZJHSKI-MELADBBJSA-N -1 1 379.457 2.399 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000827418675 604203171 /nfs/dbraw/zinc/20/31/71/604203171.db2.gz RLKQCDOYJXOEDI-UHFFFAOYSA-N -1 1 390.484 2.356 20 0 GEADMM O=S(=O)(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488028 607679089 /nfs/dbraw/zinc/67/90/89/607679089.db2.gz GVDHWMQKEYFSJP-XOKHGSTOSA-N -1 1 385.424 2.013 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000825256326 604223598 /nfs/dbraw/zinc/22/35/98/604223598.db2.gz WJMJMHKDYCMZDB-ZVZYQTTQSA-N -1 1 393.459 2.094 20 0 GEADMM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000832051383 604282931 /nfs/dbraw/zinc/28/29/31/604282931.db2.gz VPJYDJPQWYRRMJ-ZIAGYGMSSA-N -1 1 378.816 2.259 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3ccc([C@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000827621731 604346566 /nfs/dbraw/zinc/34/65/66/604346566.db2.gz 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O=C([O-])NCc1nc(-c2ccc(NC(=O)Cn3cc4ccccc4n3)cc2)n[nH]1 ZINC000832729661 605439591 /nfs/dbraw/zinc/43/95/91/605439591.db2.gz HZCYDTWZALRVKV-UHFFFAOYSA-N -1 1 391.391 2.228 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C[C@H]21 ZINC000834177777 605443245 /nfs/dbraw/zinc/44/32/45/605443245.db2.gz CNIURCQZUQUNNX-MGPQQGTHSA-N -1 1 386.408 2.333 20 0 GEADMM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000834128277 605443616 /nfs/dbraw/zinc/44/36/16/605443616.db2.gz AXDRLDIXFQNAEC-RYUDHWBXSA-N -1 1 379.367 2.427 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000834190849 605453682 /nfs/dbraw/zinc/45/36/82/605453682.db2.gz XLUATGOMCRAWOM-FVQBIDKESA-N -1 1 389.452 2.155 20 0 GEADMM CCOc1cc(CN2CCC[C@@H](NC(=O)[O-])C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000833861515 605489845 /nfs/dbraw/zinc/48/98/45/605489845.db2.gz KQIPYKRJLYSOFL-GDBMZVCRSA-N -1 1 393.484 2.173 20 0 GEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2ncc(-c3ccccc3)s2)C1 ZINC000834240673 605641626 /nfs/dbraw/zinc/64/16/26/605641626.db2.gz LWSNCBSSHOKDEC-OAHLLOKOSA-N -1 1 388.493 2.406 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000833817726 605669486 /nfs/dbraw/zinc/66/94/86/605669486.db2.gz ONXTVYGFBGHEBP-XHSDSOJGSA-N -1 1 378.473 2.494 20 0 GEADMM C[C@H](NC(=O)CN1CCC(NC(=O)[O-])CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000825121653 605715930 /nfs/dbraw/zinc/71/59/30/605715930.db2.gz NRKUSQZCWBPEFM-JTQLQIEISA-N -1 1 379.848 2.126 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000833420621 605785572 /nfs/dbraw/zinc/78/55/72/605785572.db2.gz WXRUADWGMPOYAC-KSFYIVLOSA-N -1 1 384.476 2.410 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[C@@H](c3n[nH]c(C4CC4)n3)C1)C2 ZINC000834018187 605822189 /nfs/dbraw/zinc/82/21/89/605822189.db2.gz XTAIVNKIOOVDDZ-FFHGMXDLSA-N -1 1 388.472 2.245 20 0 GEADMM O=C([O-])N[C@@H](CNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834145518 605824324 /nfs/dbraw/zinc/82/43/24/605824324.db2.gz NWWZDQJWYWLFHA-GJZGRUSLSA-N -1 1 384.440 2.364 20 0 GEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3cccc4ncccc43)cc2C1 ZINC000834121151 605877663 /nfs/dbraw/zinc/87/76/63/605877663.db2.gz PNQWYXOLENAOBO-UHFFFAOYSA-N -1 1 384.417 2.467 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833550976 605902165 /nfs/dbraw/zinc/90/21/65/605902165.db2.gz ZTIGBMVVAFABAU-UKRRQHHQSA-N -1 1 399.422 2.414 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000740688106 605928884 /nfs/dbraw/zinc/92/88/84/605928884.db2.gz JBJVPEBODSXDBJ-IBGZPJMESA-N -1 1 382.464 2.041 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596105 605938796 /nfs/dbraw/zinc/93/87/96/605938796.db2.gz IMJXWGMGTPGVDE-CJNGLKHVSA-N -1 1 399.422 2.242 20 0 GEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCCc1c(F)cccc1F ZINC000832235109 605943851 /nfs/dbraw/zinc/94/38/51/605943851.db2.gz WWOKZSCQWPXIBJ-AGUYFDCRSA-N -1 1 381.423 2.277 20 0 GEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)CSc1n[nH]c(=S)s1 ZINC000834161834 606006932 /nfs/dbraw/zinc/00/69/32/606006932.db2.gz XZRVJQWHYNDWHK-REMFIFCHSA-N -1 1 388.540 2.250 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncc(-c2ccccc2)s1 ZINC000821601314 606029728 /nfs/dbraw/zinc/02/97/28/606029728.db2.gz AQUGGZHOWGZTMS-UHFFFAOYSA-N -1 1 381.469 2.365 20 0 GEADMM Cc1cnc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000822388912 606119293 /nfs/dbraw/zinc/11/92/93/606119293.db2.gz GCSRUOAWPWBQNM-LLVKDONJSA-N -1 1 387.469 2.159 20 0 GEADMM CC(C)CO[C@@H](C)c1noc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820097950 606133396 /nfs/dbraw/zinc/13/33/96/606133396.db2.gz UHQOQFLJKDLNHR-VIFPVBQESA-N -1 1 378.414 2.402 20 0 GEADMM CC(C)CO[C@@H](C)c1noc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820097950 606133398 /nfs/dbraw/zinc/13/33/98/606133398.db2.gz UHQOQFLJKDLNHR-VIFPVBQESA-N -1 1 378.414 2.402 20 0 GEADMM O=C(NC1CC1)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000823393032 606135048 /nfs/dbraw/zinc/13/50/48/606135048.db2.gz VYUDJWTVUBGMLC-AWEZNQCLSA-N -1 1 387.396 2.244 20 0 GEADMM O=C(NC1CC1)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000823393032 606135049 /nfs/dbraw/zinc/13/50/49/606135049.db2.gz VYUDJWTVUBGMLC-AWEZNQCLSA-N -1 1 387.396 2.244 20 0 GEADMM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819818042 606135470 /nfs/dbraw/zinc/13/54/70/606135470.db2.gz OUFQSKIVFACTOT-SECBINFHSA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819818042 606135472 /nfs/dbraw/zinc/13/54/72/606135472.db2.gz OUFQSKIVFACTOT-SECBINFHSA-N -1 1 385.405 2.315 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccnn1C1CCCC1 ZINC000823027293 606138128 /nfs/dbraw/zinc/13/81/28/606138128.db2.gz QHLMJTHUWLGGGK-UHFFFAOYSA-N -1 1 387.425 2.035 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccnn1C1CCCC1 ZINC000823027293 606138130 /nfs/dbraw/zinc/13/81/30/606138130.db2.gz QHLMJTHUWLGGGK-UHFFFAOYSA-N -1 1 387.425 2.035 20 0 GEADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000820329483 606138806 /nfs/dbraw/zinc/13/88/06/606138806.db2.gz WNNPMWFDCFKYOH-SECBINFHSA-N -1 1 375.385 2.102 20 0 GEADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000820329483 606138809 /nfs/dbraw/zinc/13/88/09/606138809.db2.gz WNNPMWFDCFKYOH-SECBINFHSA-N -1 1 375.385 2.102 20 0 GEADMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccn1 ZINC000820057344 606158522 /nfs/dbraw/zinc/15/85/22/606158522.db2.gz YTWPQKUXYBMQDA-GFCCVEGCSA-N -1 1 399.459 2.130 20 0 GEADMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccn1 ZINC000820057344 606158523 /nfs/dbraw/zinc/15/85/23/606158523.db2.gz YTWPQKUXYBMQDA-GFCCVEGCSA-N -1 1 399.459 2.130 20 0 GEADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821596246 606162415 /nfs/dbraw/zinc/16/24/15/606162415.db2.gz FDDUWISOFHUAFH-GDBMZVCRSA-N -1 1 396.455 2.232 20 0 GEADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821596246 606162416 /nfs/dbraw/zinc/16/24/16/606162416.db2.gz FDDUWISOFHUAFH-GDBMZVCRSA-N -1 1 396.455 2.232 20 0 GEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000476395844 606162727 /nfs/dbraw/zinc/16/27/27/606162727.db2.gz GZOYMLVKVXGJOG-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(OCC3CCCCC3)CC2)n1 ZINC000822609496 606163475 /nfs/dbraw/zinc/16/34/75/606163475.db2.gz OFFPWQRVEVPXJL-UHFFFAOYSA-N -1 1 388.476 2.193 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(OCC3CCCCC3)CC2)n1 ZINC000822609496 606163476 /nfs/dbraw/zinc/16/34/76/606163476.db2.gz OFFPWQRVEVPXJL-UHFFFAOYSA-N -1 1 388.476 2.193 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)NCC1(CO)CC1 ZINC000823253293 606163995 /nfs/dbraw/zinc/16/39/95/606163995.db2.gz FZPSWQRISBEQQI-UHFFFAOYSA-N -1 1 384.465 2.167 20 0 GEADMM COc1ccc(C2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821787739 606170112 /nfs/dbraw/zinc/17/01/12/606170112.db2.gz ZFLXSXSUOOLCLR-UHFFFAOYSA-N -1 1 382.428 2.020 20 0 GEADMM COc1ccc(C2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821787739 606170113 /nfs/dbraw/zinc/17/01/13/606170113.db2.gz ZFLXSXSUOOLCLR-UHFFFAOYSA-N -1 1 382.428 2.020 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000822614678 606170734 /nfs/dbraw/zinc/17/07/34/606170734.db2.gz PVIOEOFWOITUTD-UHFFFAOYSA-N -1 1 386.847 2.497 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000822614678 606170735 /nfs/dbraw/zinc/17/07/35/606170735.db2.gz PVIOEOFWOITUTD-UHFFFAOYSA-N -1 1 386.847 2.497 20 0 GEADMM COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC(F)F ZINC000821772955 606194902 /nfs/dbraw/zinc/19/49/02/606194902.db2.gz VQTSBHOSNGHMEP-UHFFFAOYSA-N -1 1 377.307 2.435 20 0 GEADMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000820669161 606196267 /nfs/dbraw/zinc/19/62/67/606196267.db2.gz ZFRIFRLJOZNYGN-QMTHXVAHSA-N -1 1 378.392 2.419 20 0 GEADMM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000820005416 606293965 /nfs/dbraw/zinc/29/39/65/606293965.db2.gz QDNUHQKFGVFPNB-UHFFFAOYSA-N -1 1 392.419 2.407 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](c2cccnc2)C(C)C)cc1-c1nn[n-]n1 ZINC000821979251 606293994 /nfs/dbraw/zinc/29/39/94/606293994.db2.gz QELXSYQJMAGEAK-AWEZNQCLSA-N -1 1 399.480 2.254 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000823290040 606294864 /nfs/dbraw/zinc/29/48/64/606294864.db2.gz SHTIFSKVQHHXGH-OLZOCXBDSA-N -1 1 379.376 2.086 20 0 GEADMM Cc1nc(COc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)no1 ZINC000822444466 606296568 /nfs/dbraw/zinc/29/65/68/606296568.db2.gz SIIZNMVPPOIEBQ-UHFFFAOYSA-N -1 1 393.363 2.095 20 0 GEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)ccc2n1C ZINC000822154594 606359817 /nfs/dbraw/zinc/35/98/17/606359817.db2.gz YCBKHMVGRNTYNQ-UHFFFAOYSA-N -1 1 383.437 2.171 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000823294616 606379991 /nfs/dbraw/zinc/37/99/91/606379991.db2.gz KHZKZKQVXDJODX-UHFFFAOYSA-N -1 1 388.391 2.487 20 0 GEADMM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000820875998 606393705 /nfs/dbraw/zinc/39/37/05/606393705.db2.gz JYRYMSPWXZPLPK-OTYXRUKQSA-N -1 1 389.485 2.155 20 0 GEADMM COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821654234 606394027 /nfs/dbraw/zinc/39/40/27/606394027.db2.gz XSZRTJMOKIAVFN-ZDUSSCGKSA-N -1 1 376.442 2.098 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@@H]1C ZINC000820726949 606434459 /nfs/dbraw/zinc/43/44/59/606434459.db2.gz DOQNZFCITYZZMG-RKDXNWHRSA-N -1 1 375.376 2.305 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736129211 606471370 /nfs/dbraw/zinc/47/13/70/606471370.db2.gz DDGXTYMNWOVBOP-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823162658 606502369 /nfs/dbraw/zinc/50/23/69/606502369.db2.gz YXEDYWAEGZTDSB-UHFFFAOYSA-N -1 1 396.354 2.473 20 0 GEADMM O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823162658 606502370 /nfs/dbraw/zinc/50/23/70/606502370.db2.gz YXEDYWAEGZTDSB-UHFFFAOYSA-N -1 1 396.354 2.473 20 0 GEADMM O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823366959 606504037 /nfs/dbraw/zinc/50/40/37/606504037.db2.gz BASJMQGJUBAZDI-NSHDSACASA-N -1 1 386.462 2.082 20 0 GEADMM O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823366959 606504040 /nfs/dbraw/zinc/50/40/40/606504040.db2.gz BASJMQGJUBAZDI-NSHDSACASA-N -1 1 386.462 2.082 20 0 GEADMM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823252986 606510622 /nfs/dbraw/zinc/51/06/22/606510622.db2.gz CNDZJOIFFUTVHE-UHFFFAOYSA-N -1 1 384.343 2.194 20 0 GEADMM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823252986 606510624 /nfs/dbraw/zinc/51/06/24/606510624.db2.gz CNDZJOIFFUTVHE-UHFFFAOYSA-N -1 1 384.343 2.194 20 0 GEADMM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821831697 606510782 /nfs/dbraw/zinc/51/07/82/606510782.db2.gz JUAHVISNSPPOBM-CYBMUJFWSA-N -1 1 398.448 2.180 20 0 GEADMM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821831697 606510785 /nfs/dbraw/zinc/51/07/85/606510785.db2.gz JUAHVISNSPPOBM-CYBMUJFWSA-N -1 1 398.448 2.180 20 0 GEADMM Cn1ccnc1COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822699260 606513516 /nfs/dbraw/zinc/51/35/16/606513516.db2.gz UBUSTGOCRZNJEN-UHFFFAOYSA-N -1 1 381.421 2.493 20 0 GEADMM Cn1ccnc1COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822699260 606513517 /nfs/dbraw/zinc/51/35/17/606513517.db2.gz UBUSTGOCRZNJEN-UHFFFAOYSA-N -1 1 381.421 2.493 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000823483168 606522065 /nfs/dbraw/zinc/52/20/65/606522065.db2.gz DURGLRZHNYVXLT-LBPRGKRZSA-N -1 1 398.496 2.266 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000823483168 606522066 /nfs/dbraw/zinc/52/20/66/606522066.db2.gz DURGLRZHNYVXLT-LBPRGKRZSA-N -1 1 398.496 2.266 20 0 GEADMM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823140716 606533847 /nfs/dbraw/zinc/53/38/47/606533847.db2.gz YEEAOCWYLWKHDO-ZDUSSCGKSA-N -1 1 382.449 2.022 20 0 GEADMM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823140716 606533850 /nfs/dbraw/zinc/53/38/50/606533850.db2.gz YEEAOCWYLWKHDO-ZDUSSCGKSA-N -1 1 382.449 2.022 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1C(C)(C)C1(C)C ZINC000822458929 606534762 /nfs/dbraw/zinc/53/47/62/606534762.db2.gz JFXNEXRYLRWNPE-UHFFFAOYSA-N -1 1 382.472 2.010 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1C(C)(C)C1(C)C ZINC000822458929 606534763 /nfs/dbraw/zinc/53/47/63/606534763.db2.gz JFXNEXRYLRWNPE-UHFFFAOYSA-N -1 1 382.472 2.010 20 0 GEADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000821326061 606536456 /nfs/dbraw/zinc/53/64/56/606536456.db2.gz RZPFLVSRJOOCNW-LBPRGKRZSA-N -1 1 389.412 2.492 20 0 GEADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000821326061 606536458 /nfs/dbraw/zinc/53/64/58/606536458.db2.gz RZPFLVSRJOOCNW-LBPRGKRZSA-N -1 1 389.412 2.492 20 0 GEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821161534 606556812 /nfs/dbraw/zinc/55/68/12/606556812.db2.gz ZEHMCOGSPMDPOC-ZDUSSCGKSA-N -1 1 382.449 2.196 20 0 GEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821161534 606556813 /nfs/dbraw/zinc/55/68/13/606556813.db2.gz ZEHMCOGSPMDPOC-ZDUSSCGKSA-N -1 1 382.449 2.196 20 0 GEADMM O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823431269 606558088 /nfs/dbraw/zinc/55/80/88/606558088.db2.gz OILKPCXFHGTDHS-ZDUSSCGKSA-N -1 1 383.433 2.276 20 0 GEADMM O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823431269 606558090 /nfs/dbraw/zinc/55/80/90/606558090.db2.gz OILKPCXFHGTDHS-ZDUSSCGKSA-N -1 1 383.433 2.276 20 0 GEADMM CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000819940192 606558098 /nfs/dbraw/zinc/55/80/98/606558098.db2.gz RUXHEBDVXJMTKA-UHFFFAOYSA-N -1 1 392.485 2.496 20 0 GEADMM CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000819940192 606558100 /nfs/dbraw/zinc/55/81/00/606558100.db2.gz RUXHEBDVXJMTKA-UHFFFAOYSA-N -1 1 392.485 2.496 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1N1C(=O)CCC1=O ZINC000822209537 606560488 /nfs/dbraw/zinc/56/04/88/606560488.db2.gz MVANXEALBYTMMJ-UHFFFAOYSA-N -1 1 382.405 2.142 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1N1C(=O)CCC1=O ZINC000822209537 606560491 /nfs/dbraw/zinc/56/04/91/606560491.db2.gz MVANXEALBYTMMJ-UHFFFAOYSA-N -1 1 382.405 2.142 20 0 GEADMM CN(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(F)cccc1F ZINC000821580060 606563632 /nfs/dbraw/zinc/56/36/32/606563632.db2.gz XYNJZOGNZGHFQT-NSHDSACASA-N -1 1 378.408 2.239 20 0 GEADMM CN(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1c(F)cccc1F ZINC000821580060 606563634 /nfs/dbraw/zinc/56/36/34/606563634.db2.gz XYNJZOGNZGHFQT-NSHDSACASA-N -1 1 378.408 2.239 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820742716 606569239 /nfs/dbraw/zinc/56/92/39/606569239.db2.gz MINBNHXPMUEEMS-WDEREUQCSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820742716 606569241 /nfs/dbraw/zinc/56/92/41/606569241.db2.gz MINBNHXPMUEEMS-WDEREUQCSA-N -1 1 392.485 2.304 20 0 GEADMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821618058 606575909 /nfs/dbraw/zinc/57/59/09/606575909.db2.gz OOQJNFJFNLRFPL-UHFFFAOYSA-N -1 1 379.449 2.445 20 0 GEADMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821618058 606575911 /nfs/dbraw/zinc/57/59/11/606575911.db2.gz OOQJNFJFNLRFPL-UHFFFAOYSA-N -1 1 379.449 2.445 20 0 GEADMM CCCCO[C@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(C)C ZINC000821071503 606579284 /nfs/dbraw/zinc/57/92/84/606579284.db2.gz GOFMRLBQJZRONJ-STQMWFEESA-N -1 1 376.465 2.048 20 0 GEADMM CCCCO[C@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(C)C ZINC000821071503 606579285 /nfs/dbraw/zinc/57/92/85/606579285.db2.gz GOFMRLBQJZRONJ-STQMWFEESA-N -1 1 376.465 2.048 20 0 GEADMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820096648 606580167 /nfs/dbraw/zinc/58/01/67/606580167.db2.gz DIQPZZXCQYILIZ-JTQLQIEISA-N -1 1 391.457 2.317 20 0 GEADMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820096648 606580169 /nfs/dbraw/zinc/58/01/69/606580169.db2.gz DIQPZZXCQYILIZ-JTQLQIEISA-N -1 1 391.457 2.317 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](C)c1ccncc1 ZINC000822535078 606587189 /nfs/dbraw/zinc/58/71/89/606587189.db2.gz GECPWNDIQZXJNO-LBPRGKRZSA-N -1 1 377.408 2.487 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](C)c1ccncc1 ZINC000822535078 606587190 /nfs/dbraw/zinc/58/71/90/606587190.db2.gz GECPWNDIQZXJNO-LBPRGKRZSA-N -1 1 377.408 2.487 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CSCC(=O)c2ccccc2)n1 ZINC000819971678 606590098 /nfs/dbraw/zinc/59/00/98/606590098.db2.gz QUPIYPPLTWWMHF-UHFFFAOYSA-N -1 1 399.480 2.373 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CSCC(=O)c2ccccc2)n1 ZINC000819971678 606590099 /nfs/dbraw/zinc/59/00/99/606590099.db2.gz QUPIYPPLTWWMHF-UHFFFAOYSA-N -1 1 399.480 2.373 20 0 GEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000819763685 606603385 /nfs/dbraw/zinc/60/33/85/606603385.db2.gz AFTPYQUUOYHWNO-CLFYSBASSA-N -1 1 375.339 2.244 20 0 GEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000819763685 606603386 /nfs/dbraw/zinc/60/33/86/606603386.db2.gz AFTPYQUUOYHWNO-CLFYSBASSA-N -1 1 375.339 2.244 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCSc2ccncc21 ZINC000822005940 606607861 /nfs/dbraw/zinc/60/78/61/606607861.db2.gz VWDIHMQXNCOPKN-UHFFFAOYSA-N -1 1 397.464 2.051 20 0 GEADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000820821999 606633286 /nfs/dbraw/zinc/63/32/86/606633286.db2.gz WZAMYOUFKAYEJI-DGCLKSJQSA-N -1 1 389.460 2.434 20 0 GEADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000820821999 606633287 /nfs/dbraw/zinc/63/32/87/606633287.db2.gz WZAMYOUFKAYEJI-DGCLKSJQSA-N -1 1 389.460 2.434 20 0 GEADMM CC(C)NC(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820136835 606648524 /nfs/dbraw/zinc/64/85/24/606648524.db2.gz CHBXQTGAVFOPQA-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM CC(C)NC(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820136835 606648525 /nfs/dbraw/zinc/64/85/25/606648525.db2.gz CHBXQTGAVFOPQA-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM CC(=O)c1cccc(OCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000819845506 606651001 /nfs/dbraw/zinc/65/10/01/606651001.db2.gz VYQWNQHZZQXAHS-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM CC(=O)c1cccc(OCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000819845506 606651002 /nfs/dbraw/zinc/65/10/02/606651002.db2.gz VYQWNQHZZQXAHS-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM CC(C)CC(=O)N[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820051777 606651702 /nfs/dbraw/zinc/65/17/02/606651702.db2.gz WIURBZDRAHJMEY-GOSISDBHSA-N -1 1 394.435 2.209 20 0 GEADMM CC(C)CC(=O)N[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820051777 606651703 /nfs/dbraw/zinc/65/17/03/606651703.db2.gz WIURBZDRAHJMEY-GOSISDBHSA-N -1 1 394.435 2.209 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000823436303 606653358 /nfs/dbraw/zinc/65/33/58/606653358.db2.gz PBLCEDGHPLMFSB-AWEZNQCLSA-N -1 1 398.448 2.061 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000823436303 606653359 /nfs/dbraw/zinc/65/33/59/606653359.db2.gz PBLCEDGHPLMFSB-AWEZNQCLSA-N -1 1 398.448 2.061 20 0 GEADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000821707783 606653491 /nfs/dbraw/zinc/65/34/91/606653491.db2.gz FAPWJNPCLFPUQD-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000821707783 606653492 /nfs/dbraw/zinc/65/34/92/606653492.db2.gz FAPWJNPCLFPUQD-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822890256 606668382 /nfs/dbraw/zinc/66/83/82/606668382.db2.gz QRUKZIBGAWVVIY-UHFFFAOYSA-N -1 1 384.302 2.242 20 0 GEADMM Cc1ccc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c(C)n1 ZINC000822242433 606693615 /nfs/dbraw/zinc/69/36/15/606693615.db2.gz LAWPZUAGNDMKEE-UHFFFAOYSA-N -1 1 391.439 2.109 20 0 GEADMM Cc1ccc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c(C)n1 ZINC000822242433 606693616 /nfs/dbraw/zinc/69/36/16/606693616.db2.gz LAWPZUAGNDMKEE-UHFFFAOYSA-N -1 1 391.439 2.109 20 0 GEADMM COc1ccc(-n2cc(CNc3snc(Cl)c3-c3nnn[n-]3)nn2)cc1 ZINC000821770166 606725147 /nfs/dbraw/zinc/72/51/47/606725147.db2.gz PZUSDCMVKRVMFJ-UHFFFAOYSA-N -1 1 389.832 2.178 20 0 GEADMM COc1ccc(-n2cc(CNc3snc(Cl)c3-c3nn[n-]n3)nn2)cc1 ZINC000821770166 606725148 /nfs/dbraw/zinc/72/51/48/606725148.db2.gz PZUSDCMVKRVMFJ-UHFFFAOYSA-N -1 1 389.832 2.178 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000821418062 606727080 /nfs/dbraw/zinc/72/70/80/606727080.db2.gz VMPNMSVCAIPQOD-ZDUSSCGKSA-N -1 1 396.455 2.125 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000821418062 606727082 /nfs/dbraw/zinc/72/70/82/606727082.db2.gz VMPNMSVCAIPQOD-ZDUSSCGKSA-N -1 1 396.455 2.125 20 0 GEADMM Cc1oc(NC(=O)COC(=O)Cc2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000822549154 606760453 /nfs/dbraw/zinc/76/04/53/606760453.db2.gz UBFSOKWYRFXONL-UHFFFAOYSA-N -1 1 391.334 2.079 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c1cccc2Cl ZINC000823606233 606765988 /nfs/dbraw/zinc/76/59/88/606765988.db2.gz HDULDYCIKGQMGS-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c1cccc2Cl ZINC000823606233 606765990 /nfs/dbraw/zinc/76/59/90/606765990.db2.gz HDULDYCIKGQMGS-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM COCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCCC1 ZINC000821686539 606768897 /nfs/dbraw/zinc/76/88/97/606768897.db2.gz VDEAWBXFFUODSI-UHFFFAOYSA-N -1 1 392.485 2.016 20 0 GEADMM CCC(CC)[C@@H](O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820893580 606813570 /nfs/dbraw/zinc/81/35/70/606813570.db2.gz RSBSVDMCLNHGSC-AWEZNQCLSA-N -1 1 390.513 2.388 20 0 GEADMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000822240207 606820776 /nfs/dbraw/zinc/82/07/76/606820776.db2.gz WXNROHNRTGABEU-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM C[C@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820826637 606843449 /nfs/dbraw/zinc/84/34/49/606843449.db2.gz OKSHUCZALDPHKA-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822427319 606844776 /nfs/dbraw/zinc/84/47/76/606844776.db2.gz JGROICFLMCLPTO-VIFPVBQESA-N -1 1 396.473 2.461 20 0 GEADMM COc1ccc(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1F ZINC000821827474 606866200 /nfs/dbraw/zinc/86/62/00/606866200.db2.gz CGRLQAUOTFWRFS-UHFFFAOYSA-N -1 1 397.819 2.493 20 0 GEADMM COc1ccc(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1F ZINC000821827474 606866202 /nfs/dbraw/zinc/86/62/02/606866202.db2.gz CGRLQAUOTFWRFS-UHFFFAOYSA-N -1 1 397.819 2.493 20 0 GEADMM O[C@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823672755 606877728 /nfs/dbraw/zinc/87/77/28/606877728.db2.gz GUZXMZUDXWEIEX-DZGCQCFKSA-N -1 1 386.843 2.244 20 0 GEADMM O[C@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823672755 606877729 /nfs/dbraw/zinc/87/77/29/606877729.db2.gz GUZXMZUDXWEIEX-DZGCQCFKSA-N -1 1 386.843 2.244 20 0 GEADMM COc1cc(OC)cc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000821727716 606880717 /nfs/dbraw/zinc/88/07/17/606880717.db2.gz MVAKYKHLPBUSQY-UHFFFAOYSA-N -1 1 393.407 2.318 20 0 GEADMM COc1cc(OC)cc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000821727716 606880718 /nfs/dbraw/zinc/88/07/18/606880718.db2.gz MVAKYKHLPBUSQY-UHFFFAOYSA-N -1 1 393.407 2.318 20 0 GEADMM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822274941 606888849 /nfs/dbraw/zinc/88/88/49/606888849.db2.gz LYSSLWSZKROESE-OAHLLOKOSA-N -1 1 391.403 2.419 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000822613668 606908780 /nfs/dbraw/zinc/90/87/80/606908780.db2.gz FNRWFWMXUDHYJB-ZDUSSCGKSA-N -1 1 380.412 2.168 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)n1 ZINC000822613668 606908781 /nfs/dbraw/zinc/90/87/81/606908781.db2.gz FNRWFWMXUDHYJB-ZDUSSCGKSA-N -1 1 380.412 2.168 20 0 GEADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000822945783 606953951 /nfs/dbraw/zinc/95/39/51/606953951.db2.gz QQMIBSMOOCEIIG-SNVBAGLBSA-N -1 1 389.462 2.104 20 0 GEADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000822945783 606953952 /nfs/dbraw/zinc/95/39/52/606953952.db2.gz QQMIBSMOOCEIIG-SNVBAGLBSA-N -1 1 389.462 2.104 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCc2nc(C(C)C)cs2)cc1-c1nn[n-]n1 ZINC000821976738 606967984 /nfs/dbraw/zinc/96/79/84/606967984.db2.gz CXPBVDJDBVSGIB-UHFFFAOYSA-N -1 1 391.482 2.199 20 0 GEADMM CCCN(C)S(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821088653 607003850 /nfs/dbraw/zinc/00/38/50/607003850.db2.gz RHHRBAOUVHMFSR-UHFFFAOYSA-N -1 1 392.510 2.271 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnn(Cc2ccccc2Cl)c1 ZINC000823382866 607025233 /nfs/dbraw/zinc/02/52/33/607025233.db2.gz FUQJEDADXSRWBD-UHFFFAOYSA-N -1 1 386.828 2.474 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnn(Cc2ccccc2Cl)c1 ZINC000823382866 607025234 /nfs/dbraw/zinc/02/52/34/607025234.db2.gz FUQJEDADXSRWBD-UHFFFAOYSA-N -1 1 386.828 2.474 20 0 GEADMM CC[C@H](Cc1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820915211 607050270 /nfs/dbraw/zinc/05/02/70/607050270.db2.gz TWASXOAOAPRDIE-OAHLLOKOSA-N -1 1 386.481 2.294 20 0 GEADMM CC[C@H](Cc1ccccc1)N(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820915211 607050271 /nfs/dbraw/zinc/05/02/71/607050271.db2.gz TWASXOAOAPRDIE-OAHLLOKOSA-N -1 1 386.481 2.294 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(C(F)F)CC1 ZINC000822004405 607096928 /nfs/dbraw/zinc/09/69/28/607096928.db2.gz GVMIWYZANGERSH-UHFFFAOYSA-N -1 1 380.399 2.020 20 0 GEADMM C[C@@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCCN(C(=O)c2ccccc2)C1 ZINC000820577804 607105866 /nfs/dbraw/zinc/10/58/66/607105866.db2.gz VNSCQFFHGWTLAL-GOSISDBHSA-N -1 1 397.464 2.204 20 0 GEADMM C[C@@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCCN(C(=O)c2ccccc2)C1 ZINC000820577804 607105869 /nfs/dbraw/zinc/10/58/69/607105869.db2.gz VNSCQFFHGWTLAL-GOSISDBHSA-N -1 1 397.464 2.204 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1)c1ccco1 ZINC000823383142 607107850 /nfs/dbraw/zinc/10/78/50/607107850.db2.gz MONBKZIODISPJT-UHFFFAOYSA-N -1 1 381.377 2.421 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1)c1ccco1 ZINC000823383142 607107851 /nfs/dbraw/zinc/10/78/51/607107851.db2.gz MONBKZIODISPJT-UHFFFAOYSA-N -1 1 381.377 2.421 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@@](C)(c3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000822549195 607123279 /nfs/dbraw/zinc/12/32/79/607123279.db2.gz VJDCTCQIVIMSKR-HXUWFJFHSA-N -1 1 396.451 2.263 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(Br)cc2cccnc21 ZINC000823657604 607124940 /nfs/dbraw/zinc/12/49/40/607124940.db2.gz SJAKZBDDPQARSL-UHFFFAOYSA-N -1 1 383.209 2.387 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000821988234 607129240 /nfs/dbraw/zinc/12/92/40/607129240.db2.gz DDVGTGZHBNSWSU-QWRGUYRKSA-N -1 1 388.497 2.406 20 0 GEADMM Cc1oc(NC(=O)CN2CCc3ccc(F)c(F)c3C2)c(-c2nn[n-]n2)c1C ZINC000822548379 607150591 /nfs/dbraw/zinc/15/05/91/607150591.db2.gz JYIKMWKHZRNSED-UHFFFAOYSA-N -1 1 388.378 2.352 20 0 GEADMM CCC1(CC)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1OC ZINC000820957023 607159803 /nfs/dbraw/zinc/15/98/03/607159803.db2.gz MKBXERLVXPXOCJ-VXGBXAGGSA-N -1 1 392.485 2.013 20 0 GEADMM O=C1NCCC[C@H]1Sc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000823548455 607161014 /nfs/dbraw/zinc/16/10/14/607161014.db2.gz XBEURTWHHQYVBN-CYBMUJFWSA-N -1 1 382.449 2.381 20 0 GEADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1cc(F)cc(F)c1 ZINC000822986682 607166755 /nfs/dbraw/zinc/16/67/55/607166755.db2.gz KKWWSASDMXMUEK-UHFFFAOYSA-N -1 1 396.357 2.489 20 0 GEADMM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820556970 607220021 /nfs/dbraw/zinc/22/00/21/607220021.db2.gz WWBQZOOXWVYKOR-AWEZNQCLSA-N -1 1 388.435 2.345 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cscn2)c2ccc(Br)cc12 ZINC000823657421 607237769 /nfs/dbraw/zinc/23/77/69/607237769.db2.gz ONNNJCHMOADPCN-UHFFFAOYSA-N -1 1 389.238 2.449 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)cc1F ZINC000826462214 607847913 /nfs/dbraw/zinc/84/79/13/607847913.db2.gz RELJBVZJJJOEDS-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM Cc1oc(NC(=O)COC(=O)C[C@@H](C)c2ccncc2)c(-c2nn[n-]n2)c1C ZINC000826342633 607856536 /nfs/dbraw/zinc/85/65/36/607856536.db2.gz SZYATDXFGIJLPS-SNVBAGLBSA-N -1 1 384.396 2.147 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCc1cccc2cccnc21 ZINC000826418444 607864016 /nfs/dbraw/zinc/86/40/16/607864016.db2.gz HDNRFLZVCZBXEJ-UHFFFAOYSA-N -1 1 392.394 2.292 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCc1cccc2cccnc21 ZINC000826418444 607864017 /nfs/dbraw/zinc/86/40/17/607864017.db2.gz HDNRFLZVCZBXEJ-UHFFFAOYSA-N -1 1 392.394 2.292 20 0 GEADMM Cc1cc2ncn(C[C@@H](O)COc3cccc(F)c3-c3nnn[n-]3)c2cc1C ZINC000826272814 607874914 /nfs/dbraw/zinc/87/49/14/607874914.db2.gz CFLIWPBQVLXULA-CYBMUJFWSA-N -1 1 382.399 2.412 20 0 GEADMM Cc1cc2ncn(C[C@@H](O)COc3cccc(F)c3-c3nn[n-]n3)c2cc1C ZINC000826272814 607874915 /nfs/dbraw/zinc/87/49/15/607874915.db2.gz CFLIWPBQVLXULA-CYBMUJFWSA-N -1 1 382.399 2.412 20 0 GEADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1OCC(=O)N(C)C ZINC000825149386 607901402 /nfs/dbraw/zinc/90/14/02/607901402.db2.gz XSUALJSOEQNZRD-CQSZACIVSA-N -1 1 381.440 2.292 20 0 GEADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1OCC(=O)N(C)C ZINC000825149386 607901403 /nfs/dbraw/zinc/90/14/03/607901403.db2.gz XSUALJSOEQNZRD-CQSZACIVSA-N -1 1 381.440 2.292 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000825000458 607906352 /nfs/dbraw/zinc/90/63/52/607906352.db2.gz QUBFMHJRBJJMFZ-GJZGRUSLSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000825000458 607906353 /nfs/dbraw/zinc/90/63/53/607906353.db2.gz QUBFMHJRBJJMFZ-GJZGRUSLSA-N -1 1 398.515 2.300 20 0 GEADMM CC(C)CSCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824274981 607907242 /nfs/dbraw/zinc/90/72/42/607907242.db2.gz OWXHHGGQXSZYSA-UHFFFAOYSA-N -1 1 375.907 2.188 20 0 GEADMM CC(C)CSCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824274981 607907243 /nfs/dbraw/zinc/90/72/43/607907243.db2.gz OWXHHGGQXSZYSA-UHFFFAOYSA-N -1 1 375.907 2.188 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000826467076 607979820 /nfs/dbraw/zinc/97/98/20/607979820.db2.gz GJOMUSNSGKJGHL-GOSISDBHSA-N -1 1 395.419 2.242 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000826467076 607979821 /nfs/dbraw/zinc/97/98/21/607979821.db2.gz GJOMUSNSGKJGHL-GOSISDBHSA-N -1 1 395.419 2.242 20 0 GEADMM Cc1nc(COc2ccccc2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])no1 ZINC000826326679 607996769 /nfs/dbraw/zinc/99/67/69/607996769.db2.gz ZNEDOBFCCDFCIZ-UHFFFAOYSA-N -1 1 393.363 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103456 607998371 /nfs/dbraw/zinc/99/83/71/607998371.db2.gz ATHJZIOQBNNDDC-GOSISDBHSA-N -1 1 388.428 2.300 20 0 GEADMM Cc1ccc(NC(=O)CSCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826290840 607998703 /nfs/dbraw/zinc/99/87/03/607998703.db2.gz CHCRIZXYYLRHDM-UHFFFAOYSA-N -1 1 398.448 2.191 20 0 GEADMM CN1C(=O)CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@H]1c1ccccc1 ZINC000826011065 607999490 /nfs/dbraw/zinc/99/94/90/607999490.db2.gz VSMXWYVDMDNPRE-KBXCAEBGSA-N -1 1 392.419 2.121 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2cc(Br)ccc2F)n1 ZINC000826357187 608005860 /nfs/dbraw/zinc/00/58/60/608005860.db2.gz VHPVCLSZQNDGOG-UHFFFAOYSA-N -1 1 394.208 2.073 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2cc(Br)ccc2F)n1 ZINC000826357187 608005861 /nfs/dbraw/zinc/00/58/61/608005861.db2.gz VHPVCLSZQNDGOG-UHFFFAOYSA-N -1 1 394.208 2.073 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824640682 608025645 /nfs/dbraw/zinc/02/56/45/608025645.db2.gz NLHWJROKFLQEKP-MRVPVSSYSA-N -1 1 386.359 2.253 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826333181 608059232 /nfs/dbraw/zinc/05/92/32/608059232.db2.gz XNAZTNYQKWYSFW-TZMCWYRMSA-N -1 1 394.435 2.409 20 0 GEADMM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824764914 608098561 /nfs/dbraw/zinc/09/85/61/608098561.db2.gz ZVJIYSNICFDOGR-QMMMGPOBSA-N -1 1 386.466 2.329 20 0 GEADMM C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824764914 608098562 /nfs/dbraw/zinc/09/85/62/608098562.db2.gz ZVJIYSNICFDOGR-QMMMGPOBSA-N -1 1 386.466 2.329 20 0 GEADMM Cc1cccc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC000826297366 608125086 /nfs/dbraw/zinc/12/50/86/608125086.db2.gz FDUYEXFOGLUNQO-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824377732 608139391 /nfs/dbraw/zinc/13/93/91/608139391.db2.gz LTDPEEPANMQKFV-UHFFFAOYSA-N -1 1 381.425 2.415 20 0 GEADMM CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824377732 608139392 /nfs/dbraw/zinc/13/93/92/608139392.db2.gz LTDPEEPANMQKFV-UHFFFAOYSA-N -1 1 381.425 2.415 20 0 GEADMM COc1cccc(CC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000826216249 608139800 /nfs/dbraw/zinc/13/98/00/608139800.db2.gz QBXNGKHYDHIHHG-UHFFFAOYSA-N -1 1 378.436 2.365 20 0 GEADMM COc1cccc(CC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000826216249 608139801 /nfs/dbraw/zinc/13/98/01/608139801.db2.gz QBXNGKHYDHIHHG-UHFFFAOYSA-N -1 1 378.436 2.365 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC[C@H]1CCCCO1 ZINC000826233070 608143439 /nfs/dbraw/zinc/14/34/39/608143439.db2.gz SKJNVYKLJLSKDB-CYBMUJFWSA-N -1 1 375.429 2.019 20 0 GEADMM COC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826102938 608146179 /nfs/dbraw/zinc/14/61/79/608146179.db2.gz AVDGIWXTIIZOFP-GFCCVEGCSA-N -1 1 376.369 2.008 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000826425071 608147654 /nfs/dbraw/zinc/14/76/54/608147654.db2.gz OPAWYVVKKZJABW-UHFFFAOYSA-N -1 1 387.447 2.335 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(CCc1ccccc1)Cc1ccccc1 ZINC000826425071 608147655 /nfs/dbraw/zinc/14/76/55/608147655.db2.gz OPAWYVVKKZJABW-UHFFFAOYSA-N -1 1 387.447 2.335 20 0 GEADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000826163881 608149112 /nfs/dbraw/zinc/14/91/12/608149112.db2.gz PPENOMWCASOTPF-UHFFFAOYSA-N -1 1 398.448 2.269 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000825285342 608178426 /nfs/dbraw/zinc/17/84/26/608178426.db2.gz RSOHOOFODMXUFA-NXEZZACHSA-N -1 1 383.909 2.498 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000825285342 608178428 /nfs/dbraw/zinc/17/84/28/608178428.db2.gz RSOHOOFODMXUFA-NXEZZACHSA-N -1 1 383.909 2.498 20 0 GEADMM CNS(=O)(=O)c1ccc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826090570 608178940 /nfs/dbraw/zinc/17/89/40/608178940.db2.gz JEABZSQGCZMKSY-SSDOTTSWSA-N -1 1 399.889 2.058 20 0 GEADMM CNS(=O)(=O)c1ccc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826090570 608178943 /nfs/dbraw/zinc/17/89/43/608178943.db2.gz JEABZSQGCZMKSY-SSDOTTSWSA-N -1 1 399.889 2.058 20 0 GEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccc(O)cc1 ZINC000826104202 608183971 /nfs/dbraw/zinc/18/39/71/608183971.db2.gz RPAWHVWZTSUKAP-SECBINFHSA-N -1 1 394.844 2.126 20 0 GEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccc(O)cc1 ZINC000826104202 608183972 /nfs/dbraw/zinc/18/39/72/608183972.db2.gz RPAWHVWZTSUKAP-SECBINFHSA-N -1 1 394.844 2.126 20 0 GEADMM O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426251 608184968 /nfs/dbraw/zinc/18/49/68/608184968.db2.gz JACQKGSBIMETIZ-SNVBAGLBSA-N -1 1 394.254 2.154 20 0 GEADMM O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426251 608184970 /nfs/dbraw/zinc/18/49/70/608184970.db2.gz JACQKGSBIMETIZ-SNVBAGLBSA-N -1 1 394.254 2.154 20 0 GEADMM CCOCCCN(C[C@H](C)C(=O)OC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825594791 608190532 /nfs/dbraw/zinc/19/05/32/608190532.db2.gz QRXRMHILUXTWNX-VIFPVBQESA-N -1 1 388.881 2.019 20 0 GEADMM CCOCCCN(C[C@H](C)C(=O)OC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825594791 608190533 /nfs/dbraw/zinc/19/05/33/608190533.db2.gz QRXRMHILUXTWNX-VIFPVBQESA-N -1 1 388.881 2.019 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933532 608192965 /nfs/dbraw/zinc/19/29/65/608192965.db2.gz VIKVRMPNJNOPJD-JTQLQIEISA-N -1 1 379.442 2.485 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933532 608192969 /nfs/dbraw/zinc/19/29/69/608192969.db2.gz VIKVRMPNJNOPJD-JTQLQIEISA-N -1 1 379.442 2.485 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(Cl)(Cl)Cl ZINC000826232823 608206901 /nfs/dbraw/zinc/20/69/01/608206901.db2.gz JYQGAGXVSBQGGM-UHFFFAOYSA-N -1 1 394.646 2.430 20 0 GEADMM CC(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC12CCCCC2 ZINC000823980524 608231605 /nfs/dbraw/zinc/23/16/05/608231605.db2.gz DXJOCQYHXMYAEY-UHFFFAOYSA-N -1 1 381.893 2.348 20 0 GEADMM CC(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC12CCCCC2 ZINC000823980524 608231607 /nfs/dbraw/zinc/23/16/07/608231607.db2.gz DXJOCQYHXMYAEY-UHFFFAOYSA-N -1 1 381.893 2.348 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000826340984 608251207 /nfs/dbraw/zinc/25/12/07/608251207.db2.gz RDBUCVHQLCVHBC-KBPBESRZSA-N -1 1 384.440 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000826340984 608251208 /nfs/dbraw/zinc/25/12/08/608251208.db2.gz RDBUCVHQLCVHBC-KBPBESRZSA-N -1 1 384.440 2.492 20 0 GEADMM Cn1cc([C@@H](O)C[C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000826359203 608301743 /nfs/dbraw/zinc/30/17/43/608301743.db2.gz AAQDLQXUWCFTII-KUHUBIRLSA-N -1 1 390.451 2.241 20 0 GEADMM Cn1cc([C@@H](O)C[C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000826359203 608301746 /nfs/dbraw/zinc/30/17/46/608301746.db2.gz AAQDLQXUWCFTII-KUHUBIRLSA-N -1 1 390.451 2.241 20 0 GEADMM Cc1ccc2c(c1)CCN2C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826294148 608307484 /nfs/dbraw/zinc/30/74/84/608307484.db2.gz KCJIMJSYCWUNHP-UHFFFAOYSA-N -1 1 378.436 2.414 20 0 GEADMM Cc1ccc([C@](O)(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C(F)(F)F)o1 ZINC000826284556 608320707 /nfs/dbraw/zinc/32/07/07/608320707.db2.gz XJLQASVOENOCTN-OAHLLOKOSA-N -1 1 397.313 2.252 20 0 GEADMM Cc1ccc([C@@](O)(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C(F)(F)F)o1 ZINC000826284555 608320712 /nfs/dbraw/zinc/32/07/12/608320712.db2.gz XJLQASVOENOCTN-HNNXBMFYSA-N -1 1 397.313 2.252 20 0 GEADMM CC(C)(C)c1cc(NC(=O)c2ccnc(-n3cncn3)c2)c(-c2nnn[n-]2)s1 ZINC000824130098 608348052 /nfs/dbraw/zinc/34/80/52/608348052.db2.gz HLLYNKMNLCAGMW-UHFFFAOYSA-N -1 1 395.452 2.454 20 0 GEADMM CC(C)(C)c1cc(NC(=O)c2ccnc(-n3cncn3)c2)c(-c2nn[n-]n2)s1 ZINC000824130098 608348054 /nfs/dbraw/zinc/34/80/54/608348054.db2.gz HLLYNKMNLCAGMW-UHFFFAOYSA-N -1 1 395.452 2.454 20 0 GEADMM COc1ccc(C)cc1C1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC000826190016 608402927 /nfs/dbraw/zinc/40/29/27/608402927.db2.gz MRSPPKNHJHGKST-UHFFFAOYSA-N -1 1 381.440 2.134 20 0 GEADMM COc1ccc(C)cc1C1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC000826190016 608402929 /nfs/dbraw/zinc/40/29/29/608402929.db2.gz MRSPPKNHJHGKST-UHFFFAOYSA-N -1 1 381.440 2.134 20 0 GEADMM CC[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC000825038410 608407805 /nfs/dbraw/zinc/40/78/05/608407805.db2.gz BALUIIXSRWQVEJ-MRXNPFEDSA-N -1 1 392.467 2.253 20 0 GEADMM CC[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC000825038410 608407808 /nfs/dbraw/zinc/40/78/08/608407808.db2.gz BALUIIXSRWQVEJ-MRXNPFEDSA-N -1 1 392.467 2.253 20 0 GEADMM COc1cc(Br)c(CNc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000826176709 608410900 /nfs/dbraw/zinc/41/09/00/608410900.db2.gz ADLGLADCPHZCFC-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM COc1cc(Br)c(CNc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000826176709 608410902 /nfs/dbraw/zinc/41/09/02/608410902.db2.gz ADLGLADCPHZCFC-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824109409 608423927 /nfs/dbraw/zinc/42/39/27/608423927.db2.gz PKZNAYSCLWCTLA-AWEZNQCLSA-N -1 1 382.428 2.335 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824109409 608423929 /nfs/dbraw/zinc/42/39/29/608423929.db2.gz PKZNAYSCLWCTLA-AWEZNQCLSA-N -1 1 382.428 2.335 20 0 GEADMM CC[C@@H](C)Oc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825076850 608559212 /nfs/dbraw/zinc/55/92/12/608559212.db2.gz XYUMDSPFHSFSOJ-GFCCVEGCSA-N -1 1 398.471 2.054 20 0 GEADMM CC[C@@H](C)Oc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825076850 608559214 /nfs/dbraw/zinc/55/92/14/608559214.db2.gz XYUMDSPFHSFSOJ-GFCCVEGCSA-N -1 1 398.471 2.054 20 0 GEADMM Cc1cccc(C=O)c1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826297347 608562701 /nfs/dbraw/zinc/56/27/01/608562701.db2.gz DJXQXZKCUQQOOW-UHFFFAOYSA-N -1 1 378.797 2.409 20 0 GEADMM Cc1cccc(C=O)c1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826297347 608562702 /nfs/dbraw/zinc/56/27/02/608562702.db2.gz DJXQXZKCUQQOOW-UHFFFAOYSA-N -1 1 378.797 2.409 20 0 GEADMM Clc1ccc2nc(CN3CCN(Cc4ccc(-c5nnn[n-]5)o4)CC3)cn2c1 ZINC000826352634 608637001 /nfs/dbraw/zinc/63/70/01/608637001.db2.gz IJIXHYKOKUZVRC-UHFFFAOYSA-N -1 1 398.858 2.079 20 0 GEADMM COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826117382 608740544 /nfs/dbraw/zinc/74/05/44/608740544.db2.gz KPBCUXIVULEOLA-AWEZNQCLSA-N -1 1 381.314 2.223 20 0 GEADMM COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826117382 608740546 /nfs/dbraw/zinc/74/05/46/608740546.db2.gz KPBCUXIVULEOLA-AWEZNQCLSA-N -1 1 381.314 2.223 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826472539 608824471 /nfs/dbraw/zinc/82/44/71/608824471.db2.gz NSVPUYIFIBLNAB-JOYOIKCWSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826472539 608824474 /nfs/dbraw/zinc/82/44/74/608824474.db2.gz NSVPUYIFIBLNAB-JOYOIKCWSA-N -1 1 377.376 2.155 20 0 GEADMM Cc1[nH]nc(C(F)F)c1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826232703 608863842 /nfs/dbraw/zinc/86/38/42/608863842.db2.gz DUUPDSXLKKZKBY-UHFFFAOYSA-N -1 1 392.370 2.125 20 0 GEADMM CCOC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000825494072 609155012 /nfs/dbraw/zinc/15/50/12/609155012.db2.gz RSIJOCDIXCNWDS-CQSZACIVSA-N -1 1 389.318 2.001 20 0 GEADMM CCOC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000825494072 609155013 /nfs/dbraw/zinc/15/50/13/609155013.db2.gz RSIJOCDIXCNWDS-CQSZACIVSA-N -1 1 389.318 2.001 20 0 GEADMM O=S(=O)(Oc1cccc(Oc2cccnc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493693 609181477 /nfs/dbraw/zinc/18/14/77/609181477.db2.gz XPTZWLFWBURREY-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM O=S(=O)(Oc1cccc(Oc2cccnc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493693 609181479 /nfs/dbraw/zinc/18/14/79/609181479.db2.gz XPTZWLFWBURREY-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM CC(C)C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824245455 609181890 /nfs/dbraw/zinc/18/18/90/609181890.db2.gz ZXPZHDXBVKRKGS-NEPJUHHUSA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824245455 609181892 /nfs/dbraw/zinc/18/18/92/609181892.db2.gz ZXPZHDXBVKRKGS-NEPJUHHUSA-N -1 1 399.904 2.392 20 0 GEADMM CC1CCC(NC(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824915519 609278016 /nfs/dbraw/zinc/27/80/16/609278016.db2.gz FPMWWMFEEVRCIS-UHFFFAOYSA-N -1 1 398.446 2.298 20 0 GEADMM Fc1cccc(-n2ccc(NCc3nnsc3Cl)n2)c1-c1nn[n-]n1 ZINC000826376427 609280925 /nfs/dbraw/zinc/28/09/25/609280925.db2.gz DFSQBAIZWIRYAH-UHFFFAOYSA-N -1 1 377.796 2.309 20 0 GEADMM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCOCC1 ZINC000824045593 609286388 /nfs/dbraw/zinc/28/63/88/609286388.db2.gz MXOMIESHMSTKMZ-NSHDSACASA-N -1 1 385.403 2.193 20 0 GEADMM CC(C)c1ncncc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824364578 609291562 /nfs/dbraw/zinc/29/15/62/609291562.db2.gz MDRXHMXJWAWWOM-UHFFFAOYSA-N -1 1 393.386 2.357 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccnc(C2CC2)n1 ZINC000826459116 609291622 /nfs/dbraw/zinc/29/16/22/609291622.db2.gz VEDBWASWRWLZNJ-UHFFFAOYSA-N -1 1 391.370 2.111 20 0 GEADMM CCC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825242398 609299075 /nfs/dbraw/zinc/29/90/75/609299075.db2.gz QGAOGIGDEGKUNB-AWEZNQCLSA-N -1 1 397.487 2.287 20 0 GEADMM CCC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825242398 609299077 /nfs/dbraw/zinc/29/90/77/609299077.db2.gz QGAOGIGDEGKUNB-AWEZNQCLSA-N -1 1 397.487 2.287 20 0 GEADMM CCc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825705162 609299180 /nfs/dbraw/zinc/29/91/80/609299180.db2.gz XKVRPDHVSWGZKI-LBPRGKRZSA-N -1 1 397.487 2.070 20 0 GEADMM CCc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825705162 609299182 /nfs/dbraw/zinc/29/91/82/609299182.db2.gz XKVRPDHVSWGZKI-LBPRGKRZSA-N -1 1 397.487 2.070 20 0 GEADMM CCC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825242399 609299251 /nfs/dbraw/zinc/29/92/51/609299251.db2.gz QGAOGIGDEGKUNB-CQSZACIVSA-N -1 1 397.487 2.287 20 0 GEADMM CCC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825242399 609299252 /nfs/dbraw/zinc/29/92/52/609299252.db2.gz QGAOGIGDEGKUNB-CQSZACIVSA-N -1 1 397.487 2.287 20 0 GEADMM CCCC[C@@H](CCC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825261342 609303815 /nfs/dbraw/zinc/30/38/15/609303815.db2.gz XIEJCZUMAAXLKJ-GFCCVEGCSA-N -1 1 377.497 2.105 20 0 GEADMM CCCC[C@@H](CCC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825261342 609303817 /nfs/dbraw/zinc/30/38/17/609303817.db2.gz XIEJCZUMAAXLKJ-GFCCVEGCSA-N -1 1 377.497 2.105 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1(C)CCCCCC1 ZINC000825930707 609310136 /nfs/dbraw/zinc/31/01/36/609310136.db2.gz WVONVFXRWKJLMN-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1(C)CCCCCC1 ZINC000825930707 609310139 /nfs/dbraw/zinc/31/01/39/609310139.db2.gz WVONVFXRWKJLMN-UHFFFAOYSA-N -1 1 389.508 2.107 20 0 GEADMM Cn1cc(Cl)cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826362215 609312352 /nfs/dbraw/zinc/31/23/52/609312352.db2.gz IUTJACXFNKZGQH-UHFFFAOYSA-N -1 1 386.778 2.436 20 0 GEADMM CC(C)(C)c1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n[nH]1 ZINC000824130208 609312370 /nfs/dbraw/zinc/31/23/70/609312370.db2.gz IVIOWAIABONGOJ-UHFFFAOYSA-N -1 1 395.402 2.464 20 0 GEADMM CC1(C)C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C(C)(C)O1 ZINC000824788563 609330477 /nfs/dbraw/zinc/33/04/77/609330477.db2.gz AWOBVEBZUVSXGP-NSHDSACASA-N -1 1 385.877 2.145 20 0 GEADMM CC1(C)C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C(C)(C)O1 ZINC000824788563 609330479 /nfs/dbraw/zinc/33/04/79/609330479.db2.gz AWOBVEBZUVSXGP-NSHDSACASA-N -1 1 385.877 2.145 20 0 GEADMM CN(Cc1ccncc1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825986286 609361574 /nfs/dbraw/zinc/36/15/74/609361574.db2.gz XMFYPODSDHHSRE-UHFFFAOYSA-N -1 1 393.386 2.250 20 0 GEADMM CCOCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825589654 609361660 /nfs/dbraw/zinc/36/16/60/609361660.db2.gz IFFGQMFCDYWZCH-UHFFFAOYSA-N -1 1 388.407 2.130 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2cncc(Br)c2)c1-c1nn[n-]n1 ZINC000826304431 609397478 /nfs/dbraw/zinc/39/74/78/609397478.db2.gz KXLCYJXWJRGZSV-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM CC[C@@H]1C[C@@H](CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825182333 609399300 /nfs/dbraw/zinc/39/93/00/609399300.db2.gz HYZSSHREWIKXAH-QWHCGFSZSA-N -1 1 391.428 2.154 20 0 GEADMM O=S(=O)(NCC1(Cc2ccccc2)CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490064 609449314 /nfs/dbraw/zinc/44/93/14/609449314.db2.gz JADPXRCODHOMFA-UHFFFAOYSA-N -1 1 398.492 2.343 20 0 GEADMM O=S(=O)(NCC1(Cc2ccccc2)CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490064 609449316 /nfs/dbraw/zinc/44/93/16/609449316.db2.gz JADPXRCODHOMFA-UHFFFAOYSA-N -1 1 398.492 2.343 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)Cc1ccn(C)n1 ZINC000826271671 609451336 /nfs/dbraw/zinc/45/13/36/609451336.db2.gz BUYZWUVGJURTAW-UHFFFAOYSA-N -1 1 390.407 2.277 20 0 GEADMM CC(C)c1nc([C@@H]2COCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000824359631 609494858 /nfs/dbraw/zinc/49/48/58/609494858.db2.gz YZGWSLGUSLGSFV-ZETCQYMHSA-N -1 1 382.837 2.061 20 0 GEADMM CC(C)c1nc([C@@H]2COCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000824359631 609494859 /nfs/dbraw/zinc/49/48/59/609494859.db2.gz YZGWSLGUSLGSFV-ZETCQYMHSA-N -1 1 382.837 2.061 20 0 GEADMM CC[C@@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825060011 609506062 /nfs/dbraw/zinc/50/60/62/609506062.db2.gz NHUXQVIAPSQACE-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM CC[C@@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825060011 609506065 /nfs/dbraw/zinc/50/60/65/609506065.db2.gz NHUXQVIAPSQACE-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM COCc1nc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)no1 ZINC000826165953 609510826 /nfs/dbraw/zinc/51/08/26/609510826.db2.gz PKMRNXADEZVSLP-UHFFFAOYSA-N -1 1 380.368 2.196 20 0 GEADMM Cc1nc2c(s1)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CCC2 ZINC000826328592 609581446 /nfs/dbraw/zinc/58/14/46/609581446.db2.gz WRMBTWXRUBQRKI-NSHDSACASA-N -1 1 394.457 2.127 20 0 GEADMM Cc1nc2c(s1)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CCC2 ZINC000826328592 609581448 /nfs/dbraw/zinc/58/14/48/609581448.db2.gz WRMBTWXRUBQRKI-NSHDSACASA-N -1 1 394.457 2.127 20 0 GEADMM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825052764 609642368 /nfs/dbraw/zinc/64/23/68/609642368.db2.gz YOKSEWIQEZTIAF-CHWSQXEVSA-N -1 1 397.439 2.216 20 0 GEADMM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825052764 609642369 /nfs/dbraw/zinc/64/23/69/609642369.db2.gz YOKSEWIQEZTIAF-CHWSQXEVSA-N -1 1 397.439 2.216 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCC(=O)c2csc3ccccc23)n1 ZINC000446859676 649989750 /nfs/dbraw/zinc/98/97/50/649989750.db2.gz CMPYMIYYDSIIOK-UHFFFAOYSA-N -1 1 378.435 2.025 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)CCC(=O)c2csc3ccccc23)[n-]1 ZINC000446859676 649989754 /nfs/dbraw/zinc/98/97/54/649989754.db2.gz CMPYMIYYDSIIOK-UHFFFAOYSA-N -1 1 378.435 2.025 20 0 GEADMM CCOC(=O)c1ccc(CS(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)cc1 ZINC000450972165 650076982 /nfs/dbraw/zinc/07/69/82/650076982.db2.gz QBXKEDRCLSYICI-UHFFFAOYSA-N -1 1 384.483 2.424 20 0 GEADMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1Cl ZINC000451111506 650087905 /nfs/dbraw/zinc/08/79/05/650087905.db2.gz DUNMPMVEUJUMJG-UHFFFAOYSA-N -1 1 386.861 2.403 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C=CCCC2)c(F)c1 ZINC000451314269 650103104 /nfs/dbraw/zinc/10/31/04/650103104.db2.gz HQFXPBVOJJKZGX-LBPRGKRZSA-N -1 1 376.475 2.364 20 0 GEADMM O=S(=O)([N-]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1sccc1Cl ZINC000451358080 650106812 /nfs/dbraw/zinc/10/68/12/650106812.db2.gz ZSEXCAOFFWXYJU-KBPBESRZSA-N -1 1 386.926 2.315 20 0 GEADMM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451451646 650115603 /nfs/dbraw/zinc/11/56/03/650115603.db2.gz DFYPJRNBQLENDB-NSHDSACASA-N -1 1 377.871 2.146 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCSC2)c(F)c1 ZINC000451479368 650119490 /nfs/dbraw/zinc/11/94/90/650119490.db2.gz MSPZTAUYZXTQME-NSHDSACASA-N -1 1 396.531 2.009 20 0 GEADMM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000451738925 650137754 /nfs/dbraw/zinc/13/77/54/650137754.db2.gz RYKNWVWDIZQFNQ-UHFFFAOYSA-N -1 1 387.454 2.485 20 0 GEADMM CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1C(C)C ZINC000451909707 650152503 /nfs/dbraw/zinc/15/25/03/650152503.db2.gz LPGPICQAAGUJHP-CJNGLKHVSA-N -1 1 392.518 2.498 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]2C(C)C)c(OC)c1 ZINC000451921655 650153943 /nfs/dbraw/zinc/15/39/43/650153943.db2.gz JFYPAPFCWJGCFK-AWEZNQCLSA-N -1 1 390.527 2.266 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)sc1C ZINC000452006205 650164764 /nfs/dbraw/zinc/16/47/64/650164764.db2.gz DPRBBIRVVGLWST-RDBSUJKOSA-N -1 1 384.527 2.432 20 0 GEADMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000452057061 650170209 /nfs/dbraw/zinc/17/02/09/650170209.db2.gz KWAOKXFNLOTJHN-RQJHMYQMSA-N 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/nfs/dbraw/zinc/45/50/42/650455042.db2.gz FITGMFUGTCWYBT-UHFFFAOYSA-N -1 1 398.200 2.373 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)s2)c1 ZINC000461464821 650455168 /nfs/dbraw/zinc/45/51/68/650455168.db2.gz NJUJPZZBYBNFDK-UHFFFAOYSA-N -1 1 391.268 2.377 20 0 GEADMM C[S@](=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000461638154 650457912 /nfs/dbraw/zinc/45/79/12/650457912.db2.gz XQHBUECYVBWKLR-DEOSSOPVSA-N -1 1 384.479 2.346 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1-n1cnnn1 ZINC000462106717 650468964 /nfs/dbraw/zinc/46/89/64/650468964.db2.gz YRRCBGZGEZRIPT-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)c1 ZINC000508068744 650473347 /nfs/dbraw/zinc/47/33/47/650473347.db2.gz OKXXUKLYHNILOI-CYBMUJFWSA-N -1 1 385.335 2.002 20 0 GEADMM O=S(=O)([N-]c1ncccn1)c1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000508190721 650476935 /nfs/dbraw/zinc/47/69/35/650476935.db2.gz MSYJZWCKOFEMFN-UHFFFAOYSA-N -1 1 396.475 2.140 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccncc1 ZINC000462331795 650475527 /nfs/dbraw/zinc/47/55/27/650475527.db2.gz LEQDBGAVLGTRCB-AWEZNQCLSA-N -1 1 387.458 2.022 20 0 GEADMM CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)OC ZINC000508776947 650482942 /nfs/dbraw/zinc/48/29/42/650482942.db2.gz BLMHHCFANXZAJE-CQSZACIVSA-N -1 1 398.264 2.400 20 0 GEADMM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000462659694 650487313 /nfs/dbraw/zinc/48/73/13/650487313.db2.gz QCUZFWCXYRDHQB-UHFFFAOYSA-N -1 1 390.870 2.460 20 0 GEADMM CCNc1cnc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)cn1 ZINC000468061892 650503745 /nfs/dbraw/zinc/50/37/45/650503745.db2.gz MMGPULOQNRJJEV-VIFPVBQESA-N -1 1 380.455 2.059 20 0 GEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)cc1 ZINC000510117688 650506890 /nfs/dbraw/zinc/50/68/90/650506890.db2.gz JPKVPIXNGZBMNN-UHFFFAOYSA-N -1 1 382.463 2.158 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H](C)CCC(C)(C)C ZINC000469349826 650509596 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Cn1c(=O)oc2c1cccc2NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000512765824 650554162 /nfs/dbraw/zinc/55/41/62/650554162.db2.gz CBDRMZUKOVCCOZ-UHFFFAOYSA-N -1 1 382.781 2.284 20 0 GEADMM O=C([O-])C[C@@H](CCNS(=O)(=O)c1ccc(Br)o1)C(F)(F)F ZINC000556773060 651251687 /nfs/dbraw/zinc/25/16/87/651251687.db2.gz ALTPZCNSWQEBJM-ZCFIWIBFSA-N -1 1 394.165 2.364 20 0 GEADMM CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1=O ZINC000513813292 650569258 /nfs/dbraw/zinc/56/92/58/650569258.db2.gz AUKDVWLGWASNRQ-UHFFFAOYSA-N -1 1 388.804 2.005 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(O)c(Br)c2)c1 ZINC000513845830 650570083 /nfs/dbraw/zinc/57/00/83/650570083.db2.gz BHSTWYJAYYAFPC-UHFFFAOYSA-N -1 1 390.211 2.013 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(OC)ccc2OC(F)F)o1 ZINC000516493939 650597471 /nfs/dbraw/zinc/59/74/71/650597471.db2.gz QAEFVPCEBDWHDI-UHFFFAOYSA-N -1 1 376.337 2.050 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)cn(C)c1=O ZINC000479528375 650605662 /nfs/dbraw/zinc/60/56/62/650605662.db2.gz 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Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000324770474 647301728 /nfs/dbraw/zinc/30/17/28/647301728.db2.gz XAGJSQOOBGISPQ-UHFFFAOYSA-N -1 1 389.476 2.267 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C)c(OC)c1 ZINC000330385963 647334208 /nfs/dbraw/zinc/33/42/08/647334208.db2.gz LVLGKFWSYPGGHX-OCCSQVGLSA-N -1 1 390.527 2.314 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2CC)c(OC)c1 ZINC000330526212 647341343 /nfs/dbraw/zinc/34/13/43/647341343.db2.gz KEJDYSKTGDOYGL-CQSZACIVSA-N -1 1 390.527 2.410 20 0 GEADMM C[C@H]1CN(Cc2ccc(C[N-]S(=O)(=O)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000331076914 647366585 /nfs/dbraw/zinc/36/65/85/647366585.db2.gz WUSOFCCUDYRYPV-STQMWFEESA-N -1 1 380.432 2.278 20 0 GEADMM O=C(c1ccccc1I)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332330666 647433362 /nfs/dbraw/zinc/43/33/62/647433362.db2.gz MZIPLZXGVROEBF-VIFPVBQESA-N -1 1 399.188 2.400 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C2CCC2)n1 ZINC000349540068 647507540 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CC(C)[C@@H]1CCCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349592164 647516693 /nfs/dbraw/zinc/51/66/93/647516693.db2.gz PQKOTQZNYKBUSL-HNNXBMFYSA-N -1 1 389.543 2.054 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000349601821 647517081 /nfs/dbraw/zinc/51/70/81/647517081.db2.gz KMJZUINXESGCNS-GJZGRUSLSA-N -1 1 389.543 2.020 20 0 GEADMM CCSc1cccc(-c2noc(C[N-]S(=O)(=O)c3cnn(C)c3)n2)c1 ZINC000350532178 647534930 /nfs/dbraw/zinc/53/49/30/647534930.db2.gz VUWUFYPPLJGYRM-UHFFFAOYSA-N -1 1 379.467 2.061 20 0 GEADMM COc1cc(-c2noc(CC(=O)NCC3CC3)n2)cc(Br)c1[O-] ZINC000350605829 647535754 /nfs/dbraw/zinc/53/57/54/647535754.db2.gz HNYKUWSMNHCOTL-UHFFFAOYSA-N -1 1 382.214 2.282 20 0 GEADMM O=C(Cn1cnc([N-]C(=O)c2occc2Br)n1)N1CCCCCC1 ZINC000363635600 647603913 /nfs/dbraw/zinc/60/39/13/647603913.db2.gz JGIXUYKAQPFPCX-UHFFFAOYSA-N -1 1 396.245 2.289 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c1 ZINC000364522595 647632007 /nfs/dbraw/zinc/63/20/07/647632007.db2.gz 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COCCNC(=O)C1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000416570570 648174720 /nfs/dbraw/zinc/17/47/20/648174720.db2.gz NKTIDOUYXKFECK-UHFFFAOYSA-N -1 1 388.898 2.128 20 0 GEADMM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000416589587 648178935 /nfs/dbraw/zinc/17/89/35/648178935.db2.gz RSMCALHMYQZXSF-JTQLQIEISA-N -1 1 385.335 2.344 20 0 GEADMM O=S(=O)([N-][C@H]1CCCC(F)(F)[C@@H]1O)c1cccc(Br)c1F ZINC000416621428 648190738 /nfs/dbraw/zinc/19/07/38/648190738.db2.gz IOKNJLBSXVAHFW-GZMMTYOYSA-N -1 1 388.205 2.415 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H]1CC1(C)C ZINC000416639793 648197530 /nfs/dbraw/zinc/19/75/30/648197530.db2.gz BFJKRVGZZUVVDN-WCQYABFASA-N -1 1 378.491 2.300 20 0 GEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000420757892 648451979 /nfs/dbraw/zinc/45/19/79/648451979.db2.gz VFLWRPILMLDELX-CORIIIEPSA-N -1 1 377.528 2.302 20 0 GEADMM COCc1nnc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[n-]1 ZINC000424201735 648617367 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COc1ccc(CNC(=O)CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436780780 648793377 /nfs/dbraw/zinc/79/33/77/648793377.db2.gz GMFPNZAYLGCNQS-UHFFFAOYSA-N -1 1 393.237 2.210 20 0 GEADMM C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])CCN1CC(C)(C)O ZINC000436863990 648798645 /nfs/dbraw/zinc/79/86/45/648798645.db2.gz MEHINWBEJYEPDA-JTQLQIEISA-N -1 1 389.265 2.211 20 0 GEADMM C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])CCN1CC(C)(C)O ZINC000436863991 648798754 /nfs/dbraw/zinc/79/87/54/648798754.db2.gz MEHINWBEJYEPDA-SNVBAGLBSA-N -1 1 389.265 2.211 20 0 GEADMM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cc(Br)ccc1[O-] ZINC000436921912 648799234 /nfs/dbraw/zinc/79/92/34/648799234.db2.gz XXXHXCOVVTZZJJ-UHFFFAOYSA-N -1 1 399.266 2.074 20 0 GEADMM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000436966456 648800041 /nfs/dbraw/zinc/80/00/41/648800041.db2.gz QJWZDGSJDITTPT-AWEZNQCLSA-N -1 1 379.821 2.215 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1Cl ZINC000440813952 648814614 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CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cs1 ZINC000549786919 651100627 /nfs/dbraw/zinc/10/06/27/651100627.db2.gz OHGPJLVSFZANIP-ZETCQYMHSA-N -1 1 384.405 2.081 20 0 GEADMM COc1cc(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc(Cl)c1[O-] ZINC000553561893 651181218 /nfs/dbraw/zinc/18/12/18/651181218.db2.gz IZGLOXDUWGPHQU-GFCCVEGCSA-N -1 1 382.766 2.047 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000555334659 651223225 /nfs/dbraw/zinc/22/32/25/651223225.db2.gz ATZPVOBBYWDQJP-KOLCDFICSA-N -1 1 375.372 2.282 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCCCS1(=O)=O)c1c(Cl)cc(F)cc1Cl ZINC000555849537 651231147 /nfs/dbraw/zinc/23/11/47/651231147.db2.gz XLMIHLYRVFIAHH-VIFPVBQESA-N -1 1 390.285 2.378 20 0 GEADMM O=C([O-])C1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCC1 ZINC000556775751 651252060 /nfs/dbraw/zinc/25/20/60/651252060.db2.gz OPAFLKDQPTUCLK-UHFFFAOYSA-N -1 1 384.198 2.261 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000560315809 651307072 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/nfs/dbraw/zinc/56/02/07/651560207.db2.gz BOEQGJBCTPMKIH-UHFFFAOYSA-N -1 1 394.254 2.307 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC(=O)N(C)C)o1 ZINC000729247249 651564863 /nfs/dbraw/zinc/56/48/63/651564863.db2.gz FMHJERTYHOPPMY-UHFFFAOYSA-N -1 1 383.451 2.214 20 0 GEADMM CCN1CCC([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)CC1 ZINC000607610888 651575178 /nfs/dbraw/zinc/57/51/78/651575178.db2.gz FNJGETRHMWBUKC-UHFFFAOYSA-N -1 1 395.859 2.339 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000645087253 651587452 /nfs/dbraw/zinc/58/74/52/651587452.db2.gz OXMRCFUALCKJPM-JTQLQIEISA-N -1 1 397.806 2.147 20 0 GEADMM CC(C)COC[C@@H](O)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000565110158 651588117 /nfs/dbraw/zinc/58/81/17/651588117.db2.gz APPUKUSYEMNDOP-BBRMVZONSA-N -1 1 386.286 2.294 20 0 GEADMM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359443 651598779 /nfs/dbraw/zinc/59/87/79/651598779.db2.gz LDEGYOGYUIZLKU-UHFFFAOYSA-N -1 1 391.251 2.229 20 0 GEADMM 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C[S@](=O)(=NS(=O)(=O)[N-][C@H]([C@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000882238590 653771815 /nfs/dbraw/zinc/77/18/15/653771815.db2.gz UOOCKDABIQXXGE-VBURHUQHSA-N -1 1 378.560 2.048 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]([C@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000882238587 653771839 /nfs/dbraw/zinc/77/18/39/653771839.db2.gz UOOCKDABIQXXGE-CKNGIIGNSA-N -1 1 378.560 2.048 20 0 GEADMM Cc1sc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)cc1Br ZINC000820587294 653777248 /nfs/dbraw/zinc/77/72/48/653777248.db2.gz GVCHFXPYOJRTEM-UHFFFAOYSA-N -1 1 397.254 2.258 20 0 GEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882401039 653780124 /nfs/dbraw/zinc/78/01/24/653780124.db2.gz QRYKTHAUORRBKJ-NSHDSACASA-N -1 1 392.758 2.323 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1)C1CCCCC1 ZINC000882454859 653782864 /nfs/dbraw/zinc/78/28/64/653782864.db2.gz NHZPEIQJZZHFDU-WNSKOXEYSA-N -1 1 377.576 2.268 20 0 GEADMM COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC000882482348 653784379 /nfs/dbraw/zinc/78/43/79/653784379.db2.gz ZWSWEMYOLJRYDP-QSJFSLAZSA-N -1 1 387.885 2.054 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000882499622 653784961 /nfs/dbraw/zinc/78/49/61/653784961.db2.gz NDUHGECWHMKLMO-PSLXWICFSA-N -1 1 378.560 2.458 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-]C[C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000882499621 653784996 /nfs/dbraw/zinc/78/49/96/653784996.db2.gz NDUHGECWHMKLMO-LFVRLGFBSA-N -1 1 378.560 2.458 20 0 GEADMM O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000790049322 653786148 /nfs/dbraw/zinc/78/61/48/653786148.db2.gz YAKXJUMDXWTKSH-PKNBQFBNSA-N -1 1 381.841 2.360 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000790448201 653792252 /nfs/dbraw/zinc/79/22/52/653792252.db2.gz UBNVGIXOTYBHFZ-DTORHVGOSA-N -1 1 395.275 2.376 20 0 GEADMM COC(=O)[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000882643102 653794160 /nfs/dbraw/zinc/79/41/60/653794160.db2.gz ZWTWREKBMYZOOS-CYBMUJFWSA-N -1 1 379.837 2.116 20 0 GEADMM CCOc1cc2c(cc1C[N-]S(=O)(=O)N=S1(=O)CCCC1)O[C@@H](C)C2 ZINC000866423766 653794415 /nfs/dbraw/zinc/79/44/15/653794415.db2.gz CFKJKPZSWDFOPE-LBPRGKRZSA-N -1 1 388.511 2.005 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CCOCC1 ZINC000882646040 653794432 /nfs/dbraw/zinc/79/44/32/653794432.db2.gz DDPRMHFEPZBFEH-JTQLQIEISA-N -1 1 388.294 2.301 20 0 GEADMM COc1cccc(S([O-])=CC(=O)OCc2nn(C)cc2Br)c1 ZINC000821352024 653795480 /nfs/dbraw/zinc/79/54/80/653795480.db2.gz HDAALVISGHXMCM-JOCHJYFZSA-N -1 1 387.255 2.042 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccnc(OC2CCCC2)c1 ZINC000866485314 653798101 /nfs/dbraw/zinc/79/81/01/653798101.db2.gz ILDNHFUSHCCSCW-UHFFFAOYSA-N -1 1 375.516 2.245 20 0 GEADMM CC(C)c1c([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)cnn1-c1ccccc1 ZINC000882718427 653800134 /nfs/dbraw/zinc/80/01/34/653800134.db2.gz FUOAPWUFOKELCJ-XMMPIXPASA-N -1 1 385.515 2.227 20 0 GEADMM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866577887 653802991 /nfs/dbraw/zinc/80/29/91/653802991.db2.gz QWXUEIOVGOANSE-SECBINFHSA-N -1 1 381.351 2.324 20 0 GEADMM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1nc[nH]c1Br ZINC000866580282 653803557 /nfs/dbraw/zinc/80/35/57/653803557.db2.gz DEXQPOHAQOYVIQ-UHFFFAOYSA-N -1 1 385.287 2.120 20 0 GEADMM COc1cccc(S([O-])=CC(=O)OCc2ccc(S(C)(=O)=O)s2)c1 ZINC000821726200 653803590 /nfs/dbraw/zinc/80/35/90/653803590.db2.gz DPQWVUBFNXZERB-HSZRJFAPSA-N -1 1 388.488 2.011 20 0 GEADMM COC(=O)c1cc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)n(C)c1C ZINC000882745815 653804046 /nfs/dbraw/zinc/80/40/46/653804046.db2.gz HYYHOKXVHWKZGO-UHFFFAOYSA-N -1 1 392.264 2.300 20 0 GEADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000882748014 653804213 /nfs/dbraw/zinc/80/42/13/653804213.db2.gz PGGKKTHSFRXSGN-QFIPXVFZSA-N -1 1 395.812 2.470 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000882747483 653804262 /nfs/dbraw/zinc/80/42/62/653804262.db2.gz WCUJJMBLPASMPM-UHFFFAOYSA-N -1 1 382.817 2.263 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCCc2cc(OC)c(OC)cc21 ZINC000882747698 653804307 /nfs/dbraw/zinc/80/43/07/653804307.db2.gz FLKLUDMQSPQKBA-BSEYFRJRSA-N -1 1 390.527 2.423 20 0 GEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C[C@H]2CSCCS2)n[n-]1 ZINC000791169234 653804274 /nfs/dbraw/zinc/80/42/74/653804274.db2.gz VHIQMWYKIHGMPB-RYUDHWBXSA-N -1 1 386.543 2.424 20 0 GEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C[C@H]2CSCCS2)[n-]1 ZINC000791169234 653804278 /nfs/dbraw/zinc/80/42/78/653804278.db2.gz VHIQMWYKIHGMPB-RYUDHWBXSA-N -1 1 386.543 2.424 20 0 GEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C[C@H]2CSCCS2)n1 ZINC000791169234 653804281 /nfs/dbraw/zinc/80/42/81/653804281.db2.gz VHIQMWYKIHGMPB-RYUDHWBXSA-N -1 1 386.543 2.424 20 0 GEADMM Cn1[n-]cc2c(=NC(=O)/C=C/c3ccc(I)o3)ccnc1-2 ZINC000791288325 653807733 /nfs/dbraw/zinc/80/77/33/653807733.db2.gz ZPVQKIWBZGXTNP-CIXSYLBFSA-N -1 1 394.172 2.191 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccnc(OC2CCCCC2)c1 ZINC000866682383 653811071 /nfs/dbraw/zinc/81/10/71/653811071.db2.gz MHPRNLHEWVYGSC-QHCPKHFHSA-N -1 1 375.516 2.245 20 0 GEADMM CO[C@H](C)CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000866710069 653813591 /nfs/dbraw/zinc/81/35/91/653813591.db2.gz VIUNLYQMVCEAGE-SBKAZYGRSA-N -1 1 399.332 2.165 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccc(OC)cc1 ZINC000866733997 653816512 /nfs/dbraw/zinc/81/65/12/653816512.db2.gz HGRFWMRCXIMQDZ-TZMCWYRMSA-N -1 1 396.292 2.413 20 0 GEADMM CN(CCCn1ccnc1)C(=O)c1ccc(I)cc1[O-] ZINC000866745044 653818321 /nfs/dbraw/zinc/81/83/21/653818321.db2.gz SPKVGBNQPWKSBQ-UHFFFAOYSA-N -1 1 385.205 2.356 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)cccc1N(C)C ZINC000844826920 653821526 /nfs/dbraw/zinc/82/15/26/653821526.db2.gz YJIMHMRJDGYZHR-UHFFFAOYSA-N -1 1 380.491 2.290 20 0 GEADMM COc1ccc(OC)c([C@@H](O)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000866832162 653834669 /nfs/dbraw/zinc/83/46/69/653834669.db2.gz AQUFLQLSYPENLY-NSHDSACASA-N -1 1 377.365 2.246 20 0 GEADMM CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(I)cc1[O-] ZINC000866849980 653837958 /nfs/dbraw/zinc/83/79/58/653837958.db2.gz RGNZEQSJHIOOFV-GFCCVEGCSA-N -1 1 375.206 2.372 20 0 GEADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(CCc3ccccc3Br)CC2)C1 ZINC000883409153 653838793 /nfs/dbraw/zinc/83/87/93/653838793.db2.gz PXUZFBLAXNZSJD-CQSZACIVSA-N -1 1 395.297 2.389 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-][C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000866858575 653838961 /nfs/dbraw/zinc/83/89/61/653838961.db2.gz IZZKFGQQNRUQJJ-OSPHWJPCSA-N -1 1 382.507 2.492 20 0 GEADMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cnn(C)c2Br)C2CC2)s1 ZINC000866877584 653841828 /nfs/dbraw/zinc/84/18/28/653841828.db2.gz OCKVBLCALBGPOE-JTQLQIEISA-N -1 1 391.316 2.377 20 0 GEADMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866881734 653842445 /nfs/dbraw/zinc/84/24/45/653842445.db2.gz QFPZCKJQNFUWPA-LLVKDONJSA-N -1 1 377.388 2.493 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1c(C)nn(C)c1C ZINC000866889414 653844315 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GEADMM CC(C)(COc1ncc(Cl)cc1Cl)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866992054 653861537 /nfs/dbraw/zinc/86/15/37/653861537.db2.gz RBTDWVPDAZXIDB-UHFFFAOYSA-N -1 1 390.314 2.108 20 0 GEADMM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(-c2nnc[nH]2)c1 ZINC000793129623 653867727 /nfs/dbraw/zinc/86/77/27/653867727.db2.gz ZMHRXNAQKVDWAR-UHFFFAOYSA-N -1 1 380.788 2.383 20 0 GEADMM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867051044 653871311 /nfs/dbraw/zinc/87/13/11/653871311.db2.gz YYQLMLUWDUDQOU-UHFFFAOYSA-N -1 1 379.269 2.171 20 0 GEADMM CC(C)Cn1ccnc1C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867053486 653871500 /nfs/dbraw/zinc/87/15/00/653871500.db2.gz FIWKACAZVHGDTH-DEOSSOPVSA-N -1 1 388.490 2.170 20 0 GEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000867064813 653873830 /nfs/dbraw/zinc/87/38/30/653873830.db2.gz QGUOFHZYUWPIFF-LLVKDONJSA-N -1 1 395.909 2.154 20 0 GEADMM O=C([N-]S(=O)(=O)Cc1cccc(Cl)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000793328520 653875275 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COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000912546726 654759462 /nfs/dbraw/zinc/75/94/62/654759462.db2.gz HAGCPPNPCSBBTG-LBPRGKRZSA-N -1 1 385.829 2.042 20 0 GEADMM CSCC[C@H](NC(=O)c1cc(Cl)nc(N2CCCC2)c1)c1nn[n-]n1 ZINC000912860364 654771471 /nfs/dbraw/zinc/77/14/71/654771471.db2.gz NGIWHNGARQSXJZ-NSHDSACASA-N -1 1 381.893 2.073 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CC2CC1(c1ncc[nH]1)C2 ZINC000912959016 654776732 /nfs/dbraw/zinc/77/67/32/654776732.db2.gz UXLGSSQNKKVSJT-UHFFFAOYSA-N -1 1 395.200 2.481 20 0 GEADMM C[C@@H](CC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Br)cc1 ZINC000913495431 654795821 /nfs/dbraw/zinc/79/58/21/654795821.db2.gz KERACSDJQGFXNQ-GWCFXTLKSA-N -1 1 380.246 2.056 20 0 GEADMM CC[C@H](Cc1ccccc1Br)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496413 654796121 /nfs/dbraw/zinc/79/61/21/654796121.db2.gz ZOEWBRYRTWUYND-BXUZGUMPSA-N -1 1 394.273 2.131 20 0 GEADMM C[C@H](CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000913496999 654796182 /nfs/dbraw/zinc/79/61/82/654796182.db2.gz GLNXSMJIRALZFB-NOZJJQNGSA-N -1 1 398.236 2.195 20 0 GEADMM O=C(c1cccc2cccc(Br)c21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496994 654796198 /nfs/dbraw/zinc/79/61/98/654796198.db2.gz GGOAMPQFTFYOIX-ZDUSSCGKSA-N -1 1 388.225 2.329 20 0 GEADMM Cc1ccc(OCCC(=O)N2CCC(c3nn[n-]n3)CC2)c(Br)c1 ZINC000913743525 654807152 /nfs/dbraw/zinc/80/71/52/654807152.db2.gz ZGXGIWMGLIXIQN-UHFFFAOYSA-N -1 1 394.273 2.446 20 0 GEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000913742384 654807278 /nfs/dbraw/zinc/80/72/78/654807278.db2.gz BJEJGGLKWQDLAZ-UHFFFAOYSA-N -1 1 376.258 2.400 20 0 GEADMM O=C(c1nc(Br)sc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913745740 654807402 /nfs/dbraw/zinc/80/74/02/654807402.db2.gz CNWOSCLMCKDFGO-UHFFFAOYSA-N -1 1 377.655 2.092 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)Cn2cccn2)c1F ZINC000913914052 654815741 /nfs/dbraw/zinc/81/57/41/654815741.db2.gz HNHKXCQAJVPEON-SECBINFHSA-N -1 1 392.250 2.160 20 0 GEADMM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914053537 654823723 /nfs/dbraw/zinc/82/37/23/654823723.db2.gz CJEBPGKORCRSFL-UHFFFAOYSA-N -1 1 398.250 2.217 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c1F ZINC000914140886 654829220 /nfs/dbraw/zinc/82/92/20/654829220.db2.gz RVNPLYNPGKYEHO-UWVGGRQHSA-N -1 1 382.251 2.179 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O)c1F ZINC000914172860 654832019 /nfs/dbraw/zinc/83/20/19/654832019.db2.gz VWSTTZYSBGSSFA-RKDXNWHRSA-N -1 1 384.267 2.282 20 0 GEADMM CC(C)[C@H](CCO)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914193634 654834305 /nfs/dbraw/zinc/83/43/05/654834305.db2.gz HOSGLZDYRBSNLZ-DAOPMYJZSA-N -1 1 388.433 2.275 20 0 GEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914236636 654837459 /nfs/dbraw/zinc/83/74/59/654837459.db2.gz AIRCALJNDGCEDK-RULNZOCKSA-N -1 1 388.433 2.276 20 0 GEADMM COc1cnc([C@H]2CCCN2Cc2ccc(Br)nc2N)[n-]c1=O ZINC000934269144 654842173 /nfs/dbraw/zinc/84/21/73/654842173.db2.gz DIWCHACSUACMHV-SNVBAGLBSA-N -1 1 380.246 2.268 20 0 GEADMM C[C@@H](CO)CCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914301485 654843178 /nfs/dbraw/zinc/84/31/78/654843178.db2.gz ZRAOQBOQDRCIFR-BGJPBQGDSA-N -1 1 388.433 2.276 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC[C@@H](C)CO)c1F ZINC000914301132 654843194 /nfs/dbraw/zinc/84/31/94/654843194.db2.gz PUKSNKTUXXAJRQ-SECBINFHSA-N -1 1 384.267 2.284 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)CC2(F)CC2)CCN1c1ccccc1C(F)(F)F ZINC000914389177 654850147 /nfs/dbraw/zinc/85/01/47/654850147.db2.gz OYKANBMBFGWMEC-LLVKDONJSA-N -1 1 380.363 2.232 20 0 GEADMM O=S(=O)(Cc1ccsc1Br)[N-]Cc1nnc(C2CC2)o1 ZINC000914395370 654850944 /nfs/dbraw/zinc/85/09/44/654850944.db2.gz HKEWDXZBWAFORZ-UHFFFAOYSA-N -1 1 378.273 2.391 20 0 GEADMM O=C(c1cc(Br)cnc1C1CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000935036705 654872098 /nfs/dbraw/zinc/87/20/98/654872098.db2.gz HFEQLKXAAPQOBH-JTQLQIEISA-N -1 1 377.246 2.254 20 0 GEADMM Cc1csc(C)c1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000915742453 654878282 /nfs/dbraw/zinc/87/82/82/654878282.db2.gz SWTKAQFYNSQQMO-NSHDSACASA-N -1 1 384.445 2.444 20 0 GEADMM CC(F)(F)CCCS(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000915741410 654878362 /nfs/dbraw/zinc/87/83/62/654878362.db2.gz FHJABHHUJLVTFM-JTQLQIEISA-N -1 1 380.379 2.142 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H]1CCn2ccnc21 ZINC000915991854 654884097 /nfs/dbraw/zinc/88/40/97/654884097.db2.gz IBQPRFRVBAZOKO-APXPCNQMSA-N -1 1 394.400 2.209 20 0 GEADMM C[C@@H](CCO)CC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000915992717 654884320 /nfs/dbraw/zinc/88/43/20/654884320.db2.gz UVLSATCQQRQAGE-BGJPBQGDSA-N -1 1 388.433 2.276 20 0 GEADMM C[C@@H](CCCO)C[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916021557 654884946 /nfs/dbraw/zinc/88/49/46/654884946.db2.gz SXGOLOZFPJXELH-RULNZOCKSA-N -1 1 388.433 2.276 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CC1=CCOCC1 ZINC000916021139 654885114 /nfs/dbraw/zinc/88/51/14/654885114.db2.gz MRHGXIPXARUAOD-QHCPKHFHSA-N -1 1 384.401 2.214 20 0 GEADMM C[C@@H](CCCCO)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916037889 654885580 /nfs/dbraw/zinc/88/55/80/654885580.db2.gz KATDBZRVJKUFDN-RULNZOCKSA-N -1 1 388.433 2.419 20 0 GEADMM O=C(c1nc(Br)c2ccccn21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000935829993 654920007 /nfs/dbraw/zinc/92/00/07/654920007.db2.gz QPUXTHRMFCDFRV-UHFFFAOYSA-N -1 1 392.213 2.205 20 0 GEADMM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NS(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001465107334 804088853 /nfs/dbraw/zinc/08/88/53/804088853.db2.gz LWZJXIAPPQUORD-KSZLIROESA-N -1 1 394.537 2.242 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000151450474 531502636 /nfs/dbraw/zinc/50/26/36/531502636.db2.gz JJDABTAEZPEYQG-UHFFFAOYSA-N -1 1 386.470 2.439 20 0 GEADMM Cc1cnc(CCN(C)C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000152412572 531549582 /nfs/dbraw/zinc/54/95/82/531549582.db2.gz YVSWPLNKRQVUHK-UHFFFAOYSA-N -1 1 385.511 2.436 20 0 GEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000007054912 531536299 /nfs/dbraw/zinc/53/62/99/531536299.db2.gz VWTSCWCUYCJLMQ-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)co1 ZINC000152550481 531558389 /nfs/dbraw/zinc/55/83/89/531558389.db2.gz KNMMBXUMRQSUSP-MEBBXXQBSA-N -1 1 386.857 2.347 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1 ZINC000031721462 531645839 /nfs/dbraw/zinc/64/58/39/531645839.db2.gz SDVIKTJRXYSWHF-UHFFFAOYSA-N -1 1 380.491 2.484 20 0 GEADMM CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccc([O-])cc1F ZINC000154855811 531638305 /nfs/dbraw/zinc/63/83/05/531638305.db2.gz AYXLCMUYMMLANU-UHFFFAOYSA-N -1 1 382.189 2.400 20 0 GEADMM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc2ccccc2c1[O-] ZINC000154851130 531638429 /nfs/dbraw/zinc/63/84/29/531638429.db2.gz NDOHZZKPFJVDER-UHFFFAOYSA-N -1 1 376.459 2.315 20 0 GEADMM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066303 531662234 /nfs/dbraw/zinc/66/22/34/531662234.db2.gz IZRJPTHFYONZOT-MRVPVSSYSA-N -1 1 379.667 2.061 20 0 GEADMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000044894999 531688858 /nfs/dbraw/zinc/68/88/58/531688858.db2.gz CWBGARUAMRSYQN-UHFFFAOYSA-N -1 1 383.344 2.447 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000046303191 531701269 /nfs/dbraw/zinc/70/12/69/531701269.db2.gz NPELSTMVFGTHBU-UHFFFAOYSA-N -1 1 377.447 2.281 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)N1CCCCC1 ZINC000048445463 531732393 /nfs/dbraw/zinc/73/23/93/531732393.db2.gz HOYRXMMJMGQYBJ-SECBINFHSA-N -1 1 381.317 2.190 20 0 GEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000056298609 531811973 /nfs/dbraw/zinc/81/19/73/531811973.db2.gz IPVPWBHDCMJNES-UHFFFAOYSA-N -1 1 383.905 2.016 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1OC ZINC000058496277 531832604 /nfs/dbraw/zinc/83/26/04/531832604.db2.gz AKHMSNSROKDKDP-UHFFFAOYSA-N -1 1 385.463 2.049 20 0 GEADMM O=S(=O)([N-]CCC[NH+]1CCCC1)c1cc(Br)c(F)cc1F ZINC000171415645 531906899 /nfs/dbraw/zinc/90/68/99/531906899.db2.gz CJGDPTWGRCLNFR-UHFFFAOYSA-N -1 1 383.258 2.492 20 0 GEADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCc1ccc(Cl)s1 ZINC000171673391 531909531 /nfs/dbraw/zinc/90/95/31/531909531.db2.gz VUDVLDHCCRDVDX-UHFFFAOYSA-N -1 1 375.841 2.109 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cccc(Br)c1 ZINC000171680123 531912639 /nfs/dbraw/zinc/91/26/39/531912639.db2.gz JPIKRBOKJXETAM-UHFFFAOYSA-N -1 1 389.253 2.261 20 0 GEADMM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1c(Cl)cccc1C(F)(F)F ZINC000120145893 531974901 /nfs/dbraw/zinc/97/49/01/531974901.db2.gz YCTZHYGGKGQXBN-CYBMUJFWSA-N -1 1 387.807 2.426 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1Cl ZINC000120757420 531993940 /nfs/dbraw/zinc/99/39/40/531993940.db2.gz CRBBKIOZDGOGRM-AWEZNQCLSA-N -1 1 383.857 2.274 20 0 GEADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000173576020 532020701 /nfs/dbraw/zinc/02/07/01/532020701.db2.gz DPNHLKBSHRAFLV-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1F ZINC000121434398 532028204 /nfs/dbraw/zinc/02/82/04/532028204.db2.gz CUSFJIPKHWQYNH-UHFFFAOYSA-N -1 1 383.344 2.447 20 0 GEADMM COc1ccccc1S(=O)(=O)[N-]c1ncccc1I ZINC000121725263 532043353 /nfs/dbraw/zinc/04/33/53/532043353.db2.gz FFAIDBCDMMURSN-UHFFFAOYSA-N -1 1 390.202 2.496 20 0 GEADMM O=C(Cc1csc(-c2ccccc2Cl)n1)NCCCc1nc(=O)[n-][nH]1 ZINC000174582875 532070684 /nfs/dbraw/zinc/07/06/84/532070684.db2.gz CRVPNAJEIVENMZ-UHFFFAOYSA-N -1 1 377.857 2.166 20 0 GEADMM O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Br)cc1[O-] ZINC000125386254 532134935 /nfs/dbraw/zinc/13/49/35/532134935.db2.gz HRJHQRHAYXSKHH-GFCCVEGCSA-N -1 1 382.235 2.413 20 0 GEADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000125442690 532136470 /nfs/dbraw/zinc/13/64/70/532136470.db2.gz VQJPYYCSRDQUOM-SSDOTTSWSA-N -1 1 380.323 2.011 20 0 GEADMM CCC[C@@H](NC(=O)c1ccc(I)c(F)c1)c1nn[n-]n1 ZINC000176776536 532149312 /nfs/dbraw/zinc/14/93/12/532149312.db2.gz AGNTXFGGFBJMCQ-SNVBAGLBSA-N -1 1 389.172 2.215 20 0 GEADMM C[C@]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)(C(N)=O)c1cccc(Cl)c1 ZINC000178599543 532206367 /nfs/dbraw/zinc/20/63/67/532206367.db2.gz ZAHCTOQSKOAEGT-OAHLLOKOSA-N -1 1 392.786 2.436 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCCN1c1cccnc1 ZINC000133368543 532233652 /nfs/dbraw/zinc/23/36/52/532233652.db2.gz YSZSAPGLCOXMNN-CQSZACIVSA-N -1 1 383.832 2.348 20 0 GEADMM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000133417377 532234521 /nfs/dbraw/zinc/23/45/21/532234521.db2.gz SZSKMUJUZGTCEX-QMMMGPOBSA-N -1 1 393.836 2.460 20 0 GEADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(I)ccc1[O-] ZINC000179099488 532222173 /nfs/dbraw/zinc/22/21/73/532222173.db2.gz GNNWLBGUUBVOGR-JOYOIKCWSA-N -1 1 375.206 2.230 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)co1 ZINC000179180731 532224176 /nfs/dbraw/zinc/22/41/76/532224176.db2.gz YQMBYTCLSGILIG-UHFFFAOYSA-N -1 1 376.356 2.179 20 0 GEADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000133779420 532242493 /nfs/dbraw/zinc/24/24/93/532242493.db2.gz CSUMDAOWTJVGTI-SNVBAGLBSA-N -1 1 382.873 2.329 20 0 GEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000179766793 532243191 /nfs/dbraw/zinc/24/31/91/532243191.db2.gz DTJLNFBSNLRTOH-UHFFFAOYSA-N -1 1 398.359 2.415 20 0 GEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-n2ncn(C)c2=O)cc1 ZINC000179883000 532248855 /nfs/dbraw/zinc/24/88/55/532248855.db2.gz LYMAAKACHCJOCR-UHFFFAOYSA-N -1 1 378.841 2.334 20 0 GEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(F)c(Br)c1 ZINC000135792716 532279808 /nfs/dbraw/zinc/27/98/08/532279808.db2.gz CBMVBNLLYKICIA-UHFFFAOYSA-N -1 1 398.217 2.365 20 0 GEADMM NS(=O)(=O)Cc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000136233568 532284178 /nfs/dbraw/zinc/28/41/78/532284178.db2.gz HPYOZNJBYWNXBG-UHFFFAOYSA-N -1 1 385.239 2.196 20 0 GEADMM CCC[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000136699776 532286271 /nfs/dbraw/zinc/28/62/71/532286271.db2.gz XMAGIGZMJWXMMW-KWQFWETISA-N -1 1 385.255 2.282 20 0 GEADMM CC(C)(C)NC(=O)N1CCC([N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000181385352 532297338 /nfs/dbraw/zinc/29/73/38/532297338.db2.gz YQWHCGWJVRFTLV-UHFFFAOYSA-N -1 1 375.441 2.216 20 0 GEADMM O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc(Br)ccc1[O-] ZINC000183118195 532321835 /nfs/dbraw/zinc/32/18/35/532321835.db2.gz CBEBWBKSZWCVMJ-AWEZNQCLSA-N -1 1 390.237 2.475 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000183372521 532324081 /nfs/dbraw/zinc/32/40/81/532324081.db2.gz NTDBNSDZHLADOS-CYBMUJFWSA-N -1 1 384.841 2.277 20 0 GEADMM O=S(=O)([N-][C@H]1CCC[C@@H]1CCO)c1cc(Br)cnc1Cl ZINC000188933178 532350357 /nfs/dbraw/zinc/35/03/57/532350357.db2.gz YZBYPXPVNMGLNB-SCZZXKLOSA-N -1 1 383.695 2.327 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N(CCCCO)C1CC1 ZINC000189740682 532353480 /nfs/dbraw/zinc/35/34/80/532353480.db2.gz 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/nfs/dbraw/zinc/42/76/87/532427687.db2.gz LVTLRPQXTWBTSE-UHFFFAOYSA-N -1 1 395.229 2.447 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](F)C2)c(F)c1 ZINC000649896227 532430981 /nfs/dbraw/zinc/43/09/81/532430981.db2.gz TXYNXYIPPSNMJI-SMDDNHRTSA-N -1 1 396.481 2.346 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1ccc(OC)c(Cl)c1 ZINC000592045241 532436792 /nfs/dbraw/zinc/43/67/92/532436792.db2.gz CNBAKPFZQWIBRL-CABCVRRESA-N -1 1 393.889 2.153 20 0 GEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)o1 ZINC000281867365 532440749 /nfs/dbraw/zinc/44/07/49/532440749.db2.gz MEIXVLQUHUGNQZ-AWEZNQCLSA-N -1 1 386.857 2.260 20 0 GEADMM CC(C)[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)C(=O)[O-] ZINC000428032580 532441140 /nfs/dbraw/zinc/44/11/40/532441140.db2.gz ONBNLXZHVBODAY-SNVBAGLBSA-N -1 1 387.177 2.007 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Br)CN1c1ccccc1 ZINC000561530241 532443119 /nfs/dbraw/zinc/44/31/19/532443119.db2.gz SVKONEGMFMRYKG-OAHLLOKOSA-N -1 1 395.278 2.284 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COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c1F ZINC000594453672 532506376 /nfs/dbraw/zinc/50/63/76/532506376.db2.gz PODVNQGRGYTBMQ-SKDRFNHKSA-N -1 1 379.837 2.095 20 0 GEADMM NC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1F ZINC000431147121 532506500 /nfs/dbraw/zinc/50/65/00/532506500.db2.gz ARUKXUJZEKMKKF-UHFFFAOYSA-N -1 1 387.776 2.469 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2c(C)nn(C)c2C)c1F ZINC000594456495 532506531 /nfs/dbraw/zinc/50/65/31/532506531.db2.gz LEXFZHJSTWDTNZ-UHFFFAOYSA-N -1 1 389.836 2.095 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1F ZINC000594453856 532506856 /nfs/dbraw/zinc/50/68/56/532506856.db2.gz UGRLQTUINJANET-MWLCHTKSSA-N -1 1 379.837 2.095 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCCC(=O)OC(C)C)c1F ZINC000594463304 532507568 /nfs/dbraw/zinc/50/75/68/532507568.db2.gz QKVKOVRKPIAOFN-UHFFFAOYSA-N -1 1 395.836 2.276 20 0 GEADMM CC(C)n1cc(Br)cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630225774 532509496 /nfs/dbraw/zinc/50/94/96/532509496.db2.gz XIIGRIVZQKFUGS-LBPRGKRZSA-N -1 1 386.290 2.453 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[N@@H+]1C1CC1 ZINC000563799646 532510141 /nfs/dbraw/zinc/51/01/41/532510141.db2.gz XKYNXHUOLRUIHY-PWSUYJOCSA-N -1 1 383.901 2.128 20 0 GEADMM CN(CCN1CCCS1(=O)=O)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000652434157 532512441 /nfs/dbraw/zinc/51/24/41/532512441.db2.gz UAYSZDPQDYZYEO-ZDUSSCGKSA-N -1 1 381.281 2.086 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c(C)o1 ZINC000594490578 532512576 /nfs/dbraw/zinc/51/25/76/532512576.db2.gz VVYXGIPCITZWEW-SKDRFNHKSA-N -1 1 385.360 2.153 20 0 GEADMM C[C@H](C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccc(Br)s1 ZINC000283016860 532513309 /nfs/dbraw/zinc/51/33/09/532513309.db2.gz WYHCPPVKUSQLPG-DTWKUNHWSA-N -1 1 385.287 2.432 20 0 GEADMM O=C(N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)C1(c2cccc(Br)c2)CC1 ZINC000283029836 532514351 /nfs/dbraw/zinc/51/43/51/532514351.db2.gz YKLXZZOELBPAJA-NSHDSACASA-N -1 1 391.269 2.298 20 0 GEADMM COCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1F ZINC000630414353 532517352 /nfs/dbraw/zinc/51/73/52/532517352.db2.gz RDQNAQSFWRVDEB-UHFFFAOYSA-N -1 1 398.243 2.440 20 0 GEADMM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1OC ZINC000520810045 532498383 /nfs/dbraw/zinc/49/83/83/532498383.db2.gz CKJJLJQHIZSCGC-AWEZNQCLSA-N -1 1 377.846 2.302 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(Br)c2c1OCCC2 ZINC000564274319 532520017 /nfs/dbraw/zinc/52/00/17/532520017.db2.gz KNBAASIPDBWDIL-UHFFFAOYSA-N -1 1 392.257 2.487 20 0 GEADMM O=S(=O)([N-]Cc1cccc(-n2cncn2)c1)c1c(Cl)ccnc1Cl ZINC000374882889 532521358 /nfs/dbraw/zinc/52/13/58/532521358.db2.gz XUBITVQCKZNRLO-UHFFFAOYSA-N -1 1 384.248 2.448 20 0 GEADMM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)CCOC ZINC000470624422 532534208 /nfs/dbraw/zinc/53/42/08/532534208.db2.gz YKSUWKMOGRVAJP-CYBMUJFWSA-N -1 1 384.281 2.033 20 0 GEADMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(S(C)(=O)=O)s3)cnc2n1 ZINC000471451980 532551350 /nfs/dbraw/zinc/55/13/50/532551350.db2.gz PEEXXADBFZLUPA-UHFFFAOYSA-N -1 1 377.447 2.039 20 0 GEADMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc(S(C)(=O)=O)s1)c2=O ZINC000471451980 532551354 /nfs/dbraw/zinc/55/13/54/532551354.db2.gz PEEXXADBFZLUPA-UHFFFAOYSA-N -1 1 377.447 2.039 20 0 GEADMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471609246 532554114 /nfs/dbraw/zinc/55/41/14/532554114.db2.gz ADZMVXIJTCKFQA-ZETCQYMHSA-N -1 1 397.657 2.200 20 0 GEADMM CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3Cl)C[C@H]21 ZINC000375580279 532567608 /nfs/dbraw/zinc/56/76/08/532567608.db2.gz YQERWLWMJOZSFK-BXKDBHETSA-N -1 1 393.292 2.406 20 0 GEADMM CN1CC[C@H]2CCN(S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3Cl)C[C@@H]21 ZINC000375580281 532567734 /nfs/dbraw/zinc/56/77/34/532567734.db2.gz YQERWLWMJOZSFK-CABZTGNLSA-N -1 1 393.292 2.406 20 0 GEADMM O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc(Br)c(F)cc1[O-] ZINC000655229768 532582289 /nfs/dbraw/zinc/58/22/89/532582289.db2.gz IZGNUYUHJWCCGH-LLVKDONJSA-N -1 1 385.193 2.193 20 0 GEADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c(C)o1 ZINC000434208317 532590797 /nfs/dbraw/zinc/59/07/97/532590797.db2.gz RJFLUYBEBBHULD-UHFFFAOYSA-N -1 1 378.435 2.267 20 0 GEADMM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000529165065 532594739 /nfs/dbraw/zinc/59/47/39/532594739.db2.gz PLABJXPHUHTKCG-CYBMUJFWSA-N -1 1 395.294 2.288 20 0 GEADMM C[C@@H]1CC(F)(F)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000528557932 532573253 /nfs/dbraw/zinc/57/32/53/532573253.db2.gz ZWWMSQOVYZMPJR-SECBINFHSA-N -1 1 386.417 2.006 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(F)cc1Cl ZINC000375680173 532575074 /nfs/dbraw/zinc/57/50/74/532575074.db2.gz PGULDRPBQBWJQG-WZYXQFPFSA-N -1 1 391.848 2.358 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C1CC1 ZINC000433644294 532575096 /nfs/dbraw/zinc/57/50/96/532575096.db2.gz YRAXLWDCCQCWIX-QMMMGPOBSA-N -1 1 388.692 2.394 20 0 GEADMM CO[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccccc1Br ZINC000654944462 532575970 /nfs/dbraw/zinc/57/59/70/532575970.db2.gz VFHGOUKYPIPPDY-ZWNOBZJWSA-N -1 1 380.246 2.056 20 0 GEADMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433664632 532576979 /nfs/dbraw/zinc/57/69/79/532576979.db2.gz PALDPGRPEIAGII-LURJTMIESA-N -1 1 385.696 2.123 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ncccc2Cl)C1)c1c[nH]nc1C(F)(F)F ZINC000632096204 532577898 /nfs/dbraw/zinc/57/78/98/532577898.db2.gz SKQIZDVJYGVQHP-QMMMGPOBSA-N -1 1 395.794 2.034 20 0 GEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000284736791 532614983 /nfs/dbraw/zinc/61/49/83/532614983.db2.gz SNNLGCQQQPINOH-UHFFFAOYSA-N -1 1 378.223 2.493 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1Br)c1ccc(F)cc1 ZINC000530156464 532618589 /nfs/dbraw/zinc/61/85/89/532618589.db2.gz FBFDVGUKNHWOTH-LLVKDONJSA-N -1 1 378.223 2.441 20 0 GEADMM O=S(=O)([N-]CCc1cnccn1)c1cc(Br)c(F)cc1F ZINC000530427141 532619630 /nfs/dbraw/zinc/61/96/30/532619630.db2.gz GLJKHBATCLDDGP-UHFFFAOYSA-N -1 1 378.198 2.038 20 0 GEADMM Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C2 ZINC000655649879 532597947 /nfs/dbraw/zinc/59/79/47/532597947.db2.gz RFHOAKTWGDOJPI-MRVPVSSYSA-N -1 1 394.806 2.323 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]CCCCn2cc(Br)cn2)sn1 ZINC000632290362 532598060 /nfs/dbraw/zinc/59/80/60/532598060.db2.gz CJAHLXFQAMQXTD-UHFFFAOYSA-N -1 1 379.305 2.169 20 0 GEADMM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000632291086 532598462 /nfs/dbraw/zinc/59/84/62/532598462.db2.gz QTOLEDKYPWPBHY-UHFFFAOYSA-N -1 1 395.229 2.124 20 0 GEADMM C[C@H](C(=O)Nc1ccc(I)cc1)N(C)CCC(=O)[O-] ZINC000262682369 532598464 /nfs/dbraw/zinc/59/84/64/532598464.db2.gz WOTQGKFRRVXKNY-SECBINFHSA-N -1 1 376.194 2.025 20 0 GEADMM O=S(=O)([N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc2nsnc21 ZINC000655663657 532599646 /nfs/dbraw/zinc/59/96/46/532599646.db2.gz IYMHORLCALRGJQ-KWQFWETISA-N -1 1 381.401 2.470 20 0 GEADMM C[C@]1(C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)OCCc2sccc21 ZINC000632345076 532604159 /nfs/dbraw/zinc/60/41/59/532604159.db2.gz AEIWYOOYQRSHQQ-GFCCVEGCSA-N -1 1 381.401 2.256 20 0 GEADMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000376319520 532607334 /nfs/dbraw/zinc/60/73/34/532607334.db2.gz DRZHMZAKDOAAEX-MGPLVRAMSA-N -1 1 385.438 2.030 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(C(F)F)o1 ZINC000632379701 532607923 /nfs/dbraw/zinc/60/79/23/532607923.db2.gz WQXYNLRIAUXKRI-SECBINFHSA-N -1 1 377.390 2.067 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(F)c1)[C@H]1CCOC1 ZINC000656624541 532625100 /nfs/dbraw/zinc/62/51/00/532625100.db2.gz PASHPRDLCRPJGU-ZANVPECISA-N -1 1 382.251 2.381 20 0 GEADMM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(C(C)(C)C)n[nH]3)cc2C1 ZINC000656624821 532626633 /nfs/dbraw/zinc/62/66/33/532626633.db2.gz VUKSAMFXDBQHKO-UHFFFAOYSA-N -1 1 382.511 2.474 20 0 GEADMM Cn1ncc(C(F)(F)F)c1S(=O)(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000632592207 532627897 /nfs/dbraw/zinc/62/78/97/532627897.db2.gz RBPLVEGKFMPSSI-GFCCVEGCSA-N -1 1 380.436 2.124 20 0 GEADMM CC(C)(NC(=O)CSCc1ccc(Br)cc1F)c1nn[n-]n1 ZINC000475016456 532635063 /nfs/dbraw/zinc/63/50/63/532635063.db2.gz MJKHCKFAFADPCQ-UHFFFAOYSA-N -1 1 388.266 2.386 20 0 GEADMM CC(C)(NC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nn[n-]n1 ZINC000475015886 532635564 /nfs/dbraw/zinc/63/55/64/532635564.db2.gz LESWDZROKGGJQF-UHFFFAOYSA-N -1 1 375.845 2.459 20 0 GEADMM COCC[C@H](Cc1cccc(Br)c1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000475000560 532635663 /nfs/dbraw/zinc/63/56/63/532635663.db2.gz LUOURLJFBGRVIV-GFCCVEGCSA-N -1 1 396.289 2.209 20 0 GEADMM COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000475000561 532635733 /nfs/dbraw/zinc/63/57/33/532635733.db2.gz LUOURLJFBGRVIV-LBPRGKRZSA-N -1 1 396.289 2.209 20 0 GEADMM NC(=O)[C@H](CNC(=O)c1ccc(Br)cc1[O-])Cc1ccc(F)cc1 ZINC000436548335 532637997 /nfs/dbraw/zinc/63/79/97/532637997.db2.gz QPYRVUMFVZNJQJ-NSHDSACASA-N -1 1 395.228 2.368 20 0 GEADMM COc1ncccc1CCNC(=O)c1cc(I)ccc1[O-] ZINC000436620588 532638457 /nfs/dbraw/zinc/63/84/57/532638457.db2.gz WCBGTPIMQPBJTG-UHFFFAOYSA-N -1 1 398.200 2.373 20 0 GEADMM CC(C)C[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)Nc1cc[nH]n1 ZINC000436568862 532639651 /nfs/dbraw/zinc/63/96/51/532639651.db2.gz WUYAAJVHBRHADS-LBPRGKRZSA-N -1 1 395.257 2.661 20 0 GEADMM CCOC(=O)[C@@H](NC(=O)c1ccc(Br)cc1[O-])[C@H]1CCCOC1 ZINC000436656845 532641276 /nfs/dbraw/zinc/64/12/76/532641276.db2.gz HULBUKJKCNWPBE-HZMBPMFUSA-N -1 1 386.242 2.243 20 0 GEADMM O=C(CNC(=O)C(=O)c1ccc([O-])cc1)Nc1ccc(Br)cc1 ZINC000436675207 532641927 /nfs/dbraw/zinc/64/19/27/532641927.db2.gz VEJCFXNBOFEZSB-UHFFFAOYSA-N -1 1 377.194 2.092 20 0 GEADMM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656916651 532645268 /nfs/dbraw/zinc/64/52/68/532645268.db2.gz VNRGQHWNHKDVIG-YFKPBYRVSA-N -1 1 390.086 2.298 20 0 GEADMM O=C(Nc1nc(SCCO)n[nH]1)c1cc(Br)cc(Cl)c1[O-] ZINC000436865772 532645252 /nfs/dbraw/zinc/64/52/52/532645252.db2.gz ULCGLDDIYSURHY-UHFFFAOYSA-N -1 1 393.650 2.263 20 0 GEADMM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000599459202 532660608 /nfs/dbraw/zinc/66/06/08/532660608.db2.gz CGGJGLPAPKQTIR-ZYHUDNBSSA-N -1 1 379.837 2.116 20 0 GEADMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000599457974 532660756 /nfs/dbraw/zinc/66/07/56/532660756.db2.gz XOOMIMBCQGZALO-MFKMUULPSA-N -1 1 379.837 2.116 20 0 GEADMM COc1ccc(N2C[C@@H]([N-]S(=O)(=O)c3sccc3Cl)CC2=O)cc1 ZINC000657098454 532662705 /nfs/dbraw/zinc/66/27/05/532662705.db2.gz SMXLGDZOQMKELT-JTQLQIEISA-N -1 1 386.882 2.494 20 0 GEADMM Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2nc3ccccc3s2)CCO1 ZINC000567775229 532663243 /nfs/dbraw/zinc/66/32/43/532663243.db2.gz FAYDAMZAGIFQOY-SMDDNHRTSA-N -1 1 378.479 2.228 20 0 GEADMM COc1ccc(NC(=O)c2cn3cc(C)nc3s2)cc1[N-]S(C)(=O)=O ZINC000533481833 532664609 /nfs/dbraw/zinc/66/46/09/532664609.db2.gz RXYQGYHLLFGEPC-UHFFFAOYSA-N -1 1 380.451 2.337 20 0 GEADMM O=S(=O)([N-]C[C@@H](CO)CC1CC1)c1cc(Br)c(F)cc1F ZINC000657183752 532665535 /nfs/dbraw/zinc/66/55/35/532665535.db2.gz SVJPZKAPRCSGKZ-VIFPVBQESA-N -1 1 384.242 2.414 20 0 GEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1sccc1Br ZINC000533695315 532665953 /nfs/dbraw/zinc/66/59/53/532665953.db2.gz YMIKQDKYJYWKJK-VIFPVBQESA-N -1 1 380.285 2.233 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)o1 ZINC000533698419 532666301 /nfs/dbraw/zinc/66/63/01/532666301.db2.gz AQXNJBPRJVOWTD-BUBHHJDNSA-N -1 1 385.463 2.233 20 0 GEADMM O=S(=O)([N-][C@H]1C[C@H](O)C12CCC2)c1cc(Br)c(F)cc1F ZINC000657184883 532666469 /nfs/dbraw/zinc/66/64/69/532666469.db2.gz OQURPFRPUNUKSY-RYUDHWBXSA-N -1 1 382.226 2.309 20 0 GEADMM COc1cc(NC(=O)NCc2sc(C)nc2C)ccc1[N-]S(C)(=O)=O ZINC000438070721 532666697 /nfs/dbraw/zinc/66/66/97/532666697.db2.gz IJHHXHODSSTZJR-UHFFFAOYSA-N -1 1 384.483 2.462 20 0 GEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ncccc2Br)[C@H]2CCCO[C@@H]21 ZINC000656917826 532646922 /nfs/dbraw/zinc/64/69/22/532646922.db2.gz LGZQNLDLVOVJQH-JLLWLGSASA-N -1 1 375.288 2.326 20 0 GEADMM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1c([O-])cnc2c(Br)cccc21 ZINC000567289690 532647742 /nfs/dbraw/zinc/64/77/42/532647742.db2.gz SQJYPFWWWANKTG-GHMZBOCLSA-N -1 1 395.253 2.078 20 0 GEADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ncccc2Br)C12CCC2 ZINC000656921075 532648264 /nfs/dbraw/zinc/64/82/64/532648264.db2.gz ZHJSLZYMNINEHS-RYUDHWBXSA-N -1 1 375.288 2.470 20 0 GEADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000567348555 532650738 /nfs/dbraw/zinc/65/07/38/532650738.db2.gz GFBAFASIMAASFW-JKSUJKDBSA-N -1 1 389.901 2.159 20 0 GEADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000567348554 532651259 /nfs/dbraw/zinc/65/12/59/532651259.db2.gz GFBAFASIMAASFW-HZPDHXFCSA-N -1 1 389.901 2.159 20 0 GEADMM O=C(CCS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1ccc(Br)cc1 ZINC000264288199 532669092 /nfs/dbraw/zinc/66/90/92/532669092.db2.gz SWMBMPSFTDBSLG-UHFFFAOYSA-N -1 1 399.270 2.247 20 0 GEADMM CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1F ZINC000535686289 532686279 /nfs/dbraw/zinc/68/62/79/532686279.db2.gz PIBCYAIKGAHCNJ-UHFFFAOYSA-N -1 1 388.442 2.482 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(F)c1F ZINC000298797423 532675644 /nfs/dbraw/zinc/67/56/44/532675644.db2.gz FDWHLGFSYSAOFO-MRVPVSSYSA-N -1 1 376.322 2.266 20 0 GEADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1 ZINC000438762921 532677314 /nfs/dbraw/zinc/67/73/14/532677314.db2.gz IUWPSDXDVPHLAL-XMMPIXPASA-N -1 1 378.475 2.117 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc(OC)c1 ZINC000298844631 532678610 /nfs/dbraw/zinc/67/86/10/532678610.db2.gz FMTWGBPKUUDXPQ-UHFFFAOYSA-N -1 1 385.463 2.217 20 0 GEADMM O=C(NCc1cc2c(c(Br)c1)OCO2)C(=O)c1ccc([O-])cc1 ZINC000438911295 532679782 /nfs/dbraw/zinc/67/97/82/532679782.db2.gz PHNBRDQMGLSFSN-UHFFFAOYSA-N -1 1 378.178 2.383 20 0 GEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2cccc(Br)c2)n[n-]1 ZINC000603166205 532691487 /nfs/dbraw/zinc/69/14/87/532691487.db2.gz OZPXCWXGGRNJAD-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2cccc(Br)c2)[n-]1 ZINC000603166205 532691491 /nfs/dbraw/zinc/69/14/91/532691491.db2.gz OZPXCWXGGRNJAD-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cccc(Br)c2)n1 ZINC000603166205 532691496 /nfs/dbraw/zinc/69/14/96/532691496.db2.gz OZPXCWXGGRNJAD-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C)CCC2)c(OC)c1 ZINC000536412756 532692297 /nfs/dbraw/zinc/69/22/97/532692297.db2.gz VRMDDDMAWSDUPM-UHFFFAOYSA-N -1 1 390.527 2.315 20 0 GEADMM COc1ccc(NC(=O)CSCc2ccccn2)cc1[N-]S(C)(=O)=O ZINC000299011360 532690216 /nfs/dbraw/zinc/69/02/16/532690216.db2.gz VGMCURZRXGPILK-UHFFFAOYSA-N -1 1 381.479 2.334 20 0 GEADMM CS(=O)(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000573792486 532711582 /nfs/dbraw/zinc/71/15/82/532711582.db2.gz CEZCIADABWKIOQ-OLZOCXBDSA-N -1 1 375.443 2.206 20 0 GEADMM CS(=O)(=O)CC1(CSc2nc(C(F)(F)F)cc(=O)[n-]2)CCOCC1 ZINC000538532721 532712670 /nfs/dbraw/zinc/71/26/70/532712670.db2.gz ZZTGYDCBPBNUHX-UHFFFAOYSA-N -1 1 386.417 2.135 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000408238724 532712799 /nfs/dbraw/zinc/71/27/99/532712799.db2.gz VXQXIWWGBHAYLN-SMDDNHRTSA-N -1 1 376.475 2.150 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC23CCCCC3)c(F)c1 ZINC000538844106 532721226 /nfs/dbraw/zinc/72/12/26/532721226.db2.gz ZCXYAVWYOSARFS-CQSZACIVSA-N -1 1 376.475 2.198 20 0 GEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1nn(C)cc1Br ZINC000577063237 532732051 /nfs/dbraw/zinc/73/20/51/532732051.db2.gz YVUNQKAVPILARV-LBPRGKRZSA-N -1 1 388.287 2.182 20 0 GEADMM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000443281273 532744549 /nfs/dbraw/zinc/74/45/49/532744549.db2.gz ZTQHALAJOHNVKF-OCCSQVGLSA-N -1 1 375.874 2.482 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000443341571 532745710 /nfs/dbraw/zinc/74/57/10/532745710.db2.gz CPIVKHDRIOCDRO-QMMMGPOBSA-N -1 1 375.809 2.418 20 0 GEADMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)s1 ZINC000540861100 532745775 /nfs/dbraw/zinc/74/57/75/532745775.db2.gz SXJOXMVSWMOOJZ-UHFFFAOYSA-N -1 1 396.416 2.476 20 0 GEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)c1 ZINC000443402962 532746754 /nfs/dbraw/zinc/74/67/54/532746754.db2.gz KWZUAMXESCSNLF-UHFFFAOYSA-N -1 1 388.442 2.397 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000442758295 532734612 /nfs/dbraw/zinc/73/46/12/532734612.db2.gz ZQBGOWLKLHZGDU-XXLQHYSLSA-N -1 1 396.292 2.478 20 0 GEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c1 ZINC000410385327 532738153 /nfs/dbraw/zinc/73/81/53/532738153.db2.gz VFWQOVGOBFMZPF-UHFFFAOYSA-N -1 1 379.825 2.124 20 0 GEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Br)s1 ZINC000442969360 532738251 /nfs/dbraw/zinc/73/82/51/532738251.db2.gz CRRWGATXQXEVAC-MRVPVSSYSA-N -1 1 384.255 2.218 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618342419 532756653 /nfs/dbraw/zinc/75/66/53/532756653.db2.gz ZTWFXBVVNUKBOR-VIFPVBQESA-N -1 1 388.207 2.009 20 0 GEADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)c(Br)c1 ZINC000507702159 532758038 /nfs/dbraw/zinc/75/80/38/532758038.db2.gz KLSAKWIAHSKBQU-VIFPVBQESA-N -1 1 396.216 2.296 20 0 GEADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447789103 532758245 /nfs/dbraw/zinc/75/82/45/532758245.db2.gz QYWJOIOAAVZWSJ-UHFFFAOYSA-N -1 1 398.359 2.293 20 0 GEADMM O=C(N[C@@H]1CCC[C@H](CO)C1)c1ccc(I)c([O-])c1 ZINC000311544445 532777406 /nfs/dbraw/zinc/77/74/06/532777406.db2.gz ZBXVMZBFLSCPLQ-GXSJLCMTSA-N -1 1 375.206 2.278 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C)c(Br)o1 ZINC000268469620 532764996 /nfs/dbraw/zinc/76/49/96/532764996.db2.gz HCAUPWZZCLOKAQ-SNVBAGLBSA-N -1 1 398.275 2.168 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@]1(C)CCOC1 ZINC000509401421 532768909 /nfs/dbraw/zinc/76/89/09/532768909.db2.gz SJEJLSAWTYJXLC-CQSZACIVSA-N -1 1 382.265 2.485 20 0 GEADMM CS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000314845210 532782065 /nfs/dbraw/zinc/78/20/65/532782065.db2.gz HJNCAKCMKBRQMT-JTQLQIEISA-N -1 1 376.272 2.052 20 0 GEADMM C[C@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H](C(=O)[O-])C1 ZINC000319305280 532785266 /nfs/dbraw/zinc/78/52/66/532785266.db2.gz OWJUXQDEFSXFAC-SMDDNHRTSA-N -1 1 390.299 2.408 20 0 GEADMM O=C([O-])[C@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000326238600 532790233 /nfs/dbraw/zinc/79/02/33/532790233.db2.gz WWXAXZZWUKWSRI-SECBINFHSA-N -1 1 394.211 2.056 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000548463159 532791570 /nfs/dbraw/zinc/79/15/70/532791570.db2.gz NYHZODIRAIBEGH-JOCQHMNTSA-N -1 1 389.543 2.014 20 0 GEADMM Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc12 ZINC000327963337 532793172 /nfs/dbraw/zinc/79/31/72/532793172.db2.gz VDFGANJOIDOBEJ-UHFFFAOYSA-N -1 1 380.813 2.429 20 0 GEADMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000548693476 532793445 /nfs/dbraw/zinc/79/34/45/532793445.db2.gz NEYIVXOKWQKEIQ-SNVBAGLBSA-N -1 1 386.823 2.358 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CS1 ZINC000412571040 532795410 /nfs/dbraw/zinc/79/54/10/532795410.db2.gz KEBHEXCWLBZJCO-RKDXNWHRSA-N -1 1 383.322 2.282 20 0 GEADMM C[C@H]1CCN(CC(=O)NCc2cccs2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000287450458 532796330 /nfs/dbraw/zinc/79/63/30/532796330.db2.gz QOYASYOFFVWIDC-MJVIPROJSA-N -1 1 377.432 2.142 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)COc2ccc(F)cc2F)c1 ZINC000513794841 532780068 /nfs/dbraw/zinc/78/00/68/532780068.db2.gz XLGTXRYJHQLQPA-VIFPVBQESA-N -1 1 375.349 2.090 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCCO2)c(Br)o1 ZINC000272096667 532813120 /nfs/dbraw/zinc/81/31/20/532813120.db2.gz WDVHIFOGROIJDZ-DTWKUNHWSA-N -1 1 396.259 2.065 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1 ZINC000272385915 532814798 /nfs/dbraw/zinc/81/47/98/532814798.db2.gz BZXAPEXOLLDDPV-UHFFFAOYSA-N -1 1 379.410 2.250 20 0 GEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000330157381 532815156 /nfs/dbraw/zinc/81/51/56/532815156.db2.gz ZHNQWJJJLSXTLV-UHFFFAOYSA-N -1 1 383.905 2.016 20 0 GEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(S(C)(=O)=O)c2)c1 ZINC000414392880 532824259 /nfs/dbraw/zinc/82/42/59/532824259.db2.gz FNCRKDJZEGHADN-UHFFFAOYSA-N -1 1 385.463 2.046 20 0 GEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OC)c(S(C)(=O)=O)c2)c1 ZINC000414391193 532824291 /nfs/dbraw/zinc/82/42/91/532824291.db2.gz AQNJMFJFILUSGQ-UHFFFAOYSA-N -1 1 385.463 2.298 20 0 GEADMM O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc([O-])cc1F ZINC000288361280 532824886 /nfs/dbraw/zinc/82/48/86/532824886.db2.gz QHZOARWIUXXMRW-LLVKDONJSA-N -1 1 384.454 2.176 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)cc1OC ZINC000414471348 532830220 /nfs/dbraw/zinc/83/02/20/532830220.db2.gz OQWKSBXHMYNDAV-UHFFFAOYSA-N -1 1 376.232 2.299 20 0 GEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)c1 ZINC000414472201 532830431 /nfs/dbraw/zinc/83/04/31/532830431.db2.gz QYEAAWIXQDHOCO-UHFFFAOYSA-N -1 1 376.232 2.299 20 0 GEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2[nH]nc(C)c2Br)c1 ZINC000414472201 532830433 /nfs/dbraw/zinc/83/04/33/532830433.db2.gz QYEAAWIXQDHOCO-UHFFFAOYSA-N -1 1 376.232 2.299 20 0 GEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3n[nH]c(C)c3Br)ccc21 ZINC000414468515 532829571 /nfs/dbraw/zinc/82/95/71/532829571.db2.gz GLYWQEOKULZTAP-UHFFFAOYSA-N -1 1 399.270 2.190 20 0 GEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000414652152 532834358 /nfs/dbraw/zinc/83/43/58/532834358.db2.gz GZTSASSKDCAEPN-KGLIPLIRSA-N -1 1 387.249 2.388 20 0 GEADMM O=S(=O)(CCC1CC1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000273993588 532838598 /nfs/dbraw/zinc/83/85/98/532838598.db2.gz XVKWVXSJGHXBBD-UHFFFAOYSA-N -1 1 381.479 2.424 20 0 GEADMM Cc1ccc(NC(=O)CN2CCCC[C@H]2c2nc(=O)[n-][nH]2)c(Br)c1 ZINC000289359017 532852806 /nfs/dbraw/zinc/85/28/06/532852806.db2.gz NXOOWONNCHRGRE-ZDUSSCGKSA-N -1 1 394.273 2.335 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(OC)c(Cl)c1 ZINC000274694067 532854580 /nfs/dbraw/zinc/85/45/80/532854580.db2.gz VZNKXHQIPYZISH-SWLSCSKDSA-N -1 1 391.873 2.051 20 0 GEADMM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3F)C2)n(C)n1 ZINC000332405435 532854774 /nfs/dbraw/zinc/85/47/74/532854774.db2.gz HOUBUTRNXGDRLG-CYBMUJFWSA-N -1 1 386.880 2.468 20 0 GEADMM Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289590379 532859988 /nfs/dbraw/zinc/85/99/88/532859988.db2.gz PROZHUAEEXVHGJ-LLVKDONJSA-N -1 1 382.379 2.213 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000275045432 532862115 /nfs/dbraw/zinc/86/21/15/532862115.db2.gz WHBILZASKOJIGZ-AWEZNQCLSA-N -1 1 395.308 2.352 20 0 GEADMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)no1 ZINC000289655865 532862283 /nfs/dbraw/zinc/86/22/83/532862283.db2.gz VREBGWVUKHIQSW-QMMMGPOBSA-N -1 1 379.360 2.451 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1CCSCC1 ZINC000289655231 532862436 /nfs/dbraw/zinc/86/24/36/532862436.db2.gz DFXJSNXLYFEBSW-UHFFFAOYSA-N -1 1 383.322 2.284 20 0 GEADMM C[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000333145660 532864781 /nfs/dbraw/zinc/86/47/81/532864781.db2.gz ZRUSASKOPIDRLM-WCBMZHEXSA-N -1 1 379.912 2.266 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)sc1C ZINC000333199607 532866168 /nfs/dbraw/zinc/86/61/68/532866168.db2.gz YMOJAVRRNKDKPX-GFCCVEGCSA-N -1 1 385.898 2.497 20 0 GEADMM COCCCCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290078165 532871497 /nfs/dbraw/zinc/87/14/97/532871497.db2.gz GPROQMIJXODCKW-UHFFFAOYSA-N -1 1 383.297 2.205 20 0 GEADMM C[C@H](O)CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290184551 532874424 /nfs/dbraw/zinc/87/44/24/532874424.db2.gz ZMFDLWGJABYOFF-JTQLQIEISA-N -1 1 397.324 2.185 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000333995321 532877137 /nfs/dbraw/zinc/87/71/37/532877137.db2.gz NCWQUIRHOJUGPT-UHFFFAOYSA-N -1 1 388.283 2.338 20 0 GEADMM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000290494735 532882083 /nfs/dbraw/zinc/88/20/83/532882083.db2.gz HDDFWFWKXJZAJN-UHFFFAOYSA-N -1 1 390.527 2.031 20 0 GEADMM CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1 ZINC000349525473 532882367 /nfs/dbraw/zinc/88/23/67/532882367.db2.gz RLEBPVJJDIYFEB-UHFFFAOYSA-N -1 1 389.543 2.116 20 0 GEADMM CC(C)(CO)CCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290507628 532882882 /nfs/dbraw/zinc/88/28/82/532882882.db2.gz MSVRLDOELRXNNX-UHFFFAOYSA-N -1 1 397.324 2.187 20 0 GEADMM CC[C@@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1 ZINC000349561028 532882887 /nfs/dbraw/zinc/88/28/87/532882887.db2.gz ZLQKCAKUURDUQO-HUUCEWRRSA-N -1 1 389.543 2.020 20 0 GEADMM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1)C1CCCCC1 ZINC000349558544 532883001 /nfs/dbraw/zinc/88/30/01/532883001.db2.gz RYRNWWHYMFRGLZ-AWEZNQCLSA-N -1 1 389.543 2.102 20 0 GEADMM CCO[C@H]1C[C@](NS(=O)(=O)c2c(F)cc(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275812333 532883556 /nfs/dbraw/zinc/88/35/56/532883556.db2.gz XVDLQXMUKZFGIC-NHYWBVRUSA-N -1 1 381.372 2.041 20 0 GEADMM Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(Br)ccc2[O-])cnn1C ZINC000275900230 532885515 /nfs/dbraw/zinc/88/55/15/532885515.db2.gz QUKFCBPXSHFEBD-ZANVPECISA-N -1 1 381.230 2.308 20 0 GEADMM CC(=O)Nc1ccccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000350459090 532885796 /nfs/dbraw/zinc/88/57/96/532885796.db2.gz VLYCXEMVRIQIAW-UHFFFAOYSA-N -1 1 378.435 2.235 20 0 GEADMM CNC(=O)[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290874123 532891686 /nfs/dbraw/zinc/89/16/86/532891686.db2.gz SSUVFCOOTOXHFI-SNVBAGLBSA-N -1 1 392.253 2.301 20 0 GEADMM C[C@H](O)C[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000291123585 532897028 /nfs/dbraw/zinc/89/70/28/532897028.db2.gz UQSFMDIMBDBZPX-WDEREUQCSA-N -1 1 395.308 2.034 20 0 GEADMM CC(C)CN(CC(N)=O)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291492088 532902908 /nfs/dbraw/zinc/90/29/08/532902908.db2.gz OBDSFPGYPMGGPY-UHFFFAOYSA-N -1 1 380.242 2.286 20 0 GEADMM Cc1nn(C)c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1Br ZINC000291670850 532906803 /nfs/dbraw/zinc/90/68/03/532906803.db2.gz WFTOXSLPFKJNOE-JTQLQIEISA-N -1 1 397.239 2.382 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl)C(N)=O ZINC000292037105 532912147 /nfs/dbraw/zinc/91/21/47/532912147.db2.gz FKDVZEMKGDAFPA-MRVPVSSYSA-N -1 1 390.086 2.298 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)c(C(F)(F)F)n1 ZINC000293107286 532922182 /nfs/dbraw/zinc/92/21/82/532922182.db2.gz OGWYZKDOLNBRHW-ZDUSSCGKSA-N -1 1 395.428 2.267 20 0 GEADMM CCO[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000293215405 532923702 /nfs/dbraw/zinc/92/37/02/532923702.db2.gz VGDRDDFIJKFJKT-GFCCVEGCSA-N -1 1 377.388 2.495 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CC[C@](C)(O)c2ccccc2)c(C(F)(F)F)n1 ZINC000293243842 532923991 /nfs/dbraw/zinc/92/39/91/532923991.db2.gz WQWUBUBGPVMLDT-AWEZNQCLSA-N -1 1 377.388 2.015 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c(Br)n1C ZINC000367867492 532927913 /nfs/dbraw/zinc/92/79/13/532927913.db2.gz YITRSLABUMJHNO-LLVKDONJSA-N -1 1 392.319 2.261 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ccc(=O)[nH]n1 ZINC000738110502 598847618 /nfs/dbraw/zinc/84/76/18/598847618.db2.gz FEMVBNUMUFKHSM-UHFFFAOYSA-N -1 1 379.405 2.021 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccn(C(C)C)n2)c1-c1nn[n-]n1 ZINC000737504121 598848587 /nfs/dbraw/zinc/84/85/87/598848587.db2.gz PFOUFYOFDTUZBL-UHFFFAOYSA-N -1 1 392.423 2.495 20 0 GEADMM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172340 598850545 /nfs/dbraw/zinc/85/05/45/598850545.db2.gz HQUMPQCPRDQBHT-ZDUSSCGKSA-N -1 1 383.387 2.244 20 0 GEADMM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172340 598850546 /nfs/dbraw/zinc/85/05/46/598850546.db2.gz HQUMPQCPRDQBHT-ZDUSSCGKSA-N -1 1 383.387 2.244 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1c1ccccn1 ZINC000738354644 598874407 /nfs/dbraw/zinc/87/44/07/598874407.db2.gz ILXHWASKYAAVBE-CYBMUJFWSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1c1ccccn1 ZINC000738354644 598874409 /nfs/dbraw/zinc/87/44/09/598874409.db2.gz ILXHWASKYAAVBE-CYBMUJFWSA-N -1 1 390.856 2.441 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@](C)(O)c1cccs1 ZINC000737546266 598892033 /nfs/dbraw/zinc/89/20/33/598892033.db2.gz CMGCZEWUNMLZIR-SFHVURJKSA-N -1 1 398.448 2.258 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@](C)(O)c1cccs1 ZINC000737546266 598892034 /nfs/dbraw/zinc/89/20/34/598892034.db2.gz CMGCZEWUNMLZIR-SFHVURJKSA-N -1 1 398.448 2.258 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@@H]1CO ZINC000738112272 598907304 /nfs/dbraw/zinc/90/73/04/598907304.db2.gz OCXJHOJGQFWBEP-CQSZACIVSA-N -1 1 384.465 2.262 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737187365 598922292 /nfs/dbraw/zinc/92/22/92/598922292.db2.gz RBGBZJGCFLRKEE-ZDUSSCGKSA-N -1 1 396.476 2.319 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)ccc1C ZINC000735482567 598929667 /nfs/dbraw/zinc/92/96/67/598929667.db2.gz UFBAWNUNTZYCRN-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000737301395 598930173 /nfs/dbraw/zinc/93/01/73/598930173.db2.gz LPGDMTQQJHZTHX-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCOc1ccc2c(c1)OCO2 ZINC000738435864 598937130 /nfs/dbraw/zinc/93/71/30/598937130.db2.gz CPXGVHUWYDVACE-UHFFFAOYSA-N -1 1 377.364 2.030 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCOc1ccc2c(c1)OCO2 ZINC000738435864 598937131 /nfs/dbraw/zinc/93/71/31/598937131.db2.gz CPXGVHUWYDVACE-UHFFFAOYSA-N -1 1 377.364 2.030 20 0 GEADMM Cc1csc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000737452449 598941899 /nfs/dbraw/zinc/94/18/99/598941899.db2.gz KIRZQDWOSZFGIN-MRVPVSSYSA-N -1 1 382.906 2.457 20 0 GEADMM Cc1csc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000737452449 598941901 /nfs/dbraw/zinc/94/19/01/598941901.db2.gz KIRZQDWOSZFGIN-MRVPVSSYSA-N -1 1 382.906 2.457 20 0 GEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1C ZINC000736947444 598946497 /nfs/dbraw/zinc/94/64/97/598946497.db2.gz FMRWRRKMKMCYKD-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000737223750 598947193 /nfs/dbraw/zinc/94/71/93/598947193.db2.gz FCKKRPYZAYVSKV-UHFFFAOYSA-N -1 1 398.448 2.324 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000737188835 598953569 /nfs/dbraw/zinc/95/35/69/598953569.db2.gz HLUWKGODXZDUEA-RISCZKNCSA-N -1 1 388.497 2.142 20 0 GEADMM c1ccn2c(c1)nnc2C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738433265 598956565 /nfs/dbraw/zinc/95/65/65/598956565.db2.gz OTVOOCGOBWZHHR-UHFFFAOYSA-N -1 1 398.434 2.237 20 0 GEADMM c1ccn2c(c1)nnc2C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738433265 598956566 /nfs/dbraw/zinc/95/65/66/598956566.db2.gz OTVOOCGOBWZHHR-UHFFFAOYSA-N -1 1 398.434 2.237 20 0 GEADMM CCCCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736451807 598957546 /nfs/dbraw/zinc/95/75/46/598957546.db2.gz RIYDFTDCIBISDQ-UHFFFAOYSA-N -1 1 394.483 2.333 20 0 GEADMM CCCCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736451807 598957548 /nfs/dbraw/zinc/95/75/48/598957548.db2.gz RIYDFTDCIBISDQ-UHFFFAOYSA-N -1 1 394.483 2.333 20 0 GEADMM CN(CCCNc1c2ccccc2nnc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736800182 598957883 /nfs/dbraw/zinc/95/78/83/598957883.db2.gz JNPBUAFBNZPHFK-UHFFFAOYSA-N -1 1 384.444 2.479 20 0 GEADMM CN(CCCNc1c2ccccc2nnc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736800182 598957884 /nfs/dbraw/zinc/95/78/84/598957884.db2.gz JNPBUAFBNZPHFK-UHFFFAOYSA-N -1 1 384.444 2.479 20 0 GEADMM OC[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000738389303 598958981 /nfs/dbraw/zinc/95/89/81/598958981.db2.gz KFHFPQRPYCDEPG-ZDUSSCGKSA-N -1 1 379.399 2.212 20 0 GEADMM OC[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000738389303 598958982 /nfs/dbraw/zinc/95/89/82/598958982.db2.gz KFHFPQRPYCDEPG-ZDUSSCGKSA-N -1 1 379.399 2.212 20 0 GEADMM COc1cc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cc(OC)c1 ZINC000737045296 598962229 /nfs/dbraw/zinc/96/22/29/598962229.db2.gz HQSLPZWTOPVYMH-UHFFFAOYSA-N -1 1 377.408 2.464 20 0 GEADMM COc1cc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc(OC)c1 ZINC000737045296 598962231 /nfs/dbraw/zinc/96/22/31/598962231.db2.gz HQSLPZWTOPVYMH-UHFFFAOYSA-N -1 1 377.408 2.464 20 0 GEADMM CC(C)[C@@H](C)NC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735707610 598962727 /nfs/dbraw/zinc/96/27/27/598962727.db2.gz JHZAIFYIDZABFA-CYBMUJFWSA-N -1 1 394.483 2.187 20 0 GEADMM CC(C)[C@@H](C)NC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735707610 598962730 /nfs/dbraw/zinc/96/27/30/598962730.db2.gz JHZAIFYIDZABFA-CYBMUJFWSA-N -1 1 394.483 2.187 20 0 GEADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000821657501 607254901 /nfs/dbraw/zinc/25/49/01/607254901.db2.gz OZVQQZWIQZCVEW-DHZHZOJOSA-N -1 1 399.432 2.162 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)ccc1F ZINC000819810300 607255634 /nfs/dbraw/zinc/25/56/34/607255634.db2.gz GAIQHLZTQIARAZ-UHFFFAOYSA-N -1 1 390.400 2.073 20 0 GEADMM c1ccc2oc(N3CCN(c4c5ccccc5nnc4-c4nnn[n-]4)CC3)nc2c1 ZINC000738441641 598968133 /nfs/dbraw/zinc/96/81/33/598968133.db2.gz LQMRPJKOTFSRHV-UHFFFAOYSA-N -1 1 399.418 2.278 20 0 GEADMM c1ccc2oc(N3CCN(c4c5ccccc5nnc4-c4nn[n-]n4)CC3)nc2c1 ZINC000738441641 598968134 /nfs/dbraw/zinc/96/81/34/598968134.db2.gz LQMRPJKOTFSRHV-UHFFFAOYSA-N -1 1 399.418 2.278 20 0 GEADMM O=C(Nc1cccc(I)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738185450 598981350 /nfs/dbraw/zinc/98/13/50/598981350.db2.gz XQEXZSFJMYNCJR-UHFFFAOYSA-N -1 1 392.160 2.119 20 0 GEADMM O=C(Nc1cccc(I)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738185450 598981351 /nfs/dbraw/zinc/98/13/51/598981351.db2.gz XQEXZSFJMYNCJR-UHFFFAOYSA-N -1 1 392.160 2.119 20 0 GEADMM CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000736633459 598984686 /nfs/dbraw/zinc/98/46/86/598984686.db2.gz BLMWGVSZCYXPPD-UHFFFAOYSA-N -1 1 394.435 2.258 20 0 GEADMM CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000736633459 598984687 /nfs/dbraw/zinc/98/46/87/598984687.db2.gz BLMWGVSZCYXPPD-UHFFFAOYSA-N -1 1 394.435 2.258 20 0 GEADMM Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000737256109 598992747 /nfs/dbraw/zinc/99/27/47/598992747.db2.gz KNQFBMXHVSEGDY-UHFFFAOYSA-N -1 1 388.435 2.037 20 0 GEADMM Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000737256109 598992749 /nfs/dbraw/zinc/99/27/49/598992749.db2.gz KNQFBMXHVSEGDY-UHFFFAOYSA-N -1 1 388.435 2.037 20 0 GEADMM C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)O1 ZINC000736287827 598993833 /nfs/dbraw/zinc/99/38/33/598993833.db2.gz GHGQGKRFJWIJRP-ZIAGYGMSSA-N -1 1 393.451 2.123 20 0 GEADMM CN(Cc1csc(Br)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736831717 598997285 /nfs/dbraw/zinc/99/72/85/598997285.db2.gz RPBPEHNAZPWZMJ-UHFFFAOYSA-N -1 1 379.243 2.358 20 0 GEADMM CN(Cc1csc(Br)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736831717 598997287 /nfs/dbraw/zinc/99/72/87/598997287.db2.gz RPBPEHNAZPWZMJ-UHFFFAOYSA-N -1 1 379.243 2.358 20 0 GEADMM COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736949220 598999201 /nfs/dbraw/zinc/99/92/01/598999201.db2.gz PCVJPLNKINYNHT-UHFFFAOYSA-N -1 1 382.380 2.088 20 0 GEADMM COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736949220 598999203 /nfs/dbraw/zinc/99/92/03/598999203.db2.gz PCVJPLNKINYNHT-UHFFFAOYSA-N -1 1 382.380 2.088 20 0 GEADMM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC(F)F)c1 ZINC000737095297 599007454 /nfs/dbraw/zinc/00/74/54/599007454.db2.gz HEHOUNBTGWHXMN-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC(F)F)c1 ZINC000737095297 599007456 /nfs/dbraw/zinc/00/74/56/599007456.db2.gz HEHOUNBTGWHXMN-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(CC1CC1)CC1CC1 ZINC000737488197 599017808 /nfs/dbraw/zinc/01/78/08/599017808.db2.gz QVEVRKSAVURLHT-UHFFFAOYSA-N -1 1 394.483 2.107 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(CC1CC1)CC1CC1 ZINC000737488197 599017810 /nfs/dbraw/zinc/01/78/10/599017810.db2.gz QVEVRKSAVURLHT-UHFFFAOYSA-N -1 1 394.483 2.107 20 0 GEADMM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737306981 599023725 /nfs/dbraw/zinc/02/37/25/599023725.db2.gz FHQVSYXUXXJDSY-UHFFFAOYSA-N -1 1 376.420 2.305 20 0 GEADMM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737306981 599023727 /nfs/dbraw/zinc/02/37/27/599023727.db2.gz FHQVSYXUXXJDSY-UHFFFAOYSA-N -1 1 376.420 2.305 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000738259194 599029049 /nfs/dbraw/zinc/02/90/49/599029049.db2.gz NCMBDKNDKWQWCA-HNNXBMFYSA-N -1 1 388.790 2.268 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000738259194 599029051 /nfs/dbraw/zinc/02/90/51/599029051.db2.gz NCMBDKNDKWQWCA-HNNXBMFYSA-N -1 1 388.790 2.268 20 0 GEADMM CCc1cnc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)s1 ZINC000821499387 599060019 /nfs/dbraw/zinc/06/00/19/599060019.db2.gz JGNAOXZNCDIVOT-UHFFFAOYSA-N -1 1 376.877 2.261 20 0 GEADMM CCc1cnc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)s1 ZINC000821499387 599060022 /nfs/dbraw/zinc/06/00/22/599060022.db2.gz JGNAOXZNCDIVOT-UHFFFAOYSA-N -1 1 376.877 2.261 20 0 GEADMM Cc1noc(COc2ccc(Oc3nnc(C)c(C)c3-c3nnn[n-]3)cc2)n1 ZINC000737547834 599064370 /nfs/dbraw/zinc/06/43/70/599064370.db2.gz YTPYQLMNYSKVCX-UHFFFAOYSA-N -1 1 380.368 2.336 20 0 GEADMM Cc1noc(COc2ccc(Oc3nnc(C)c(C)c3-c3nn[n-]n3)cc2)n1 ZINC000737547834 599064373 /nfs/dbraw/zinc/06/43/73/599064373.db2.gz YTPYQLMNYSKVCX-UHFFFAOYSA-N -1 1 380.368 2.336 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000823521278 599096398 /nfs/dbraw/zinc/09/63/98/599096398.db2.gz UTVWFANSRHUMTM-YDHLFZDLSA-N -1 1 395.854 2.484 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000823521278 599096400 /nfs/dbraw/zinc/09/64/00/599096400.db2.gz UTVWFANSRHUMTM-YDHLFZDLSA-N -1 1 395.854 2.484 20 0 GEADMM O=C(OCCOc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738221478 599139678 /nfs/dbraw/zinc/13/96/78/599139678.db2.gz JAJMKBLFUCEMJQ-UHFFFAOYSA-N -1 1 390.197 2.260 20 0 GEADMM O=C(OCCOc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738221478 599139679 /nfs/dbraw/zinc/13/96/79/599139679.db2.gz JAJMKBLFUCEMJQ-UHFFFAOYSA-N -1 1 390.197 2.260 20 0 GEADMM Cc1ccc([C@@H](C)C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000822227894 599141921 /nfs/dbraw/zinc/14/19/21/599141921.db2.gz ZNFDTOZMUMPFHS-GFCCVEGCSA-N -1 1 397.439 2.086 20 0 GEADMM CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736688125 599142456 /nfs/dbraw/zinc/14/24/56/599142456.db2.gz UKVOEMPTMRTAFP-STQMWFEESA-N -1 1 394.435 2.247 20 0 GEADMM CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736688125 599142458 /nfs/dbraw/zinc/14/24/58/599142458.db2.gz UKVOEMPTMRTAFP-STQMWFEESA-N -1 1 394.435 2.247 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736158836 599142612 /nfs/dbraw/zinc/14/26/12/599142612.db2.gz SMFUGEZAMDJTCF-OLZOCXBDSA-N -1 1 392.419 2.175 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736158836 599142615 /nfs/dbraw/zinc/14/26/15/599142615.db2.gz SMFUGEZAMDJTCF-OLZOCXBDSA-N -1 1 392.419 2.175 20 0 GEADMM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736688112 599142787 /nfs/dbraw/zinc/14/27/87/599142787.db2.gz UKVOEMPTMRTAFP-CHWSQXEVSA-N -1 1 394.435 2.247 20 0 GEADMM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736688112 599142789 /nfs/dbraw/zinc/14/27/89/599142789.db2.gz UKVOEMPTMRTAFP-CHWSQXEVSA-N -1 1 394.435 2.247 20 0 GEADMM CN1CC[C@H](Sc2nc3c(c(-c4ccco4)c2-c2nn[n-]n2)CCC3)C1=O ZINC000736854542 599158817 /nfs/dbraw/zinc/15/88/17/599158817.db2.gz DJZSMBIKDBUPRB-ZDUSSCGKSA-N -1 1 382.449 2.333 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1c1ccco1 ZINC000737199542 599163297 /nfs/dbraw/zinc/16/32/97/599163297.db2.gz IBKFTGYICIXWGH-AWEZNQCLSA-N -1 1 382.424 2.473 20 0 GEADMM CSc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)nc1 ZINC000737188961 599169382 /nfs/dbraw/zinc/16/93/82/599169382.db2.gz AOOOZOQDTRETHF-UHFFFAOYSA-N -1 1 385.453 2.272 20 0 GEADMM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823376126 599202905 /nfs/dbraw/zinc/20/29/05/599202905.db2.gz XKQVUFCIQRIBRS-UHFFFAOYSA-N -1 1 380.799 2.412 20 0 GEADMM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823376126 599202908 /nfs/dbraw/zinc/20/29/08/599202908.db2.gz XKQVUFCIQRIBRS-UHFFFAOYSA-N -1 1 380.799 2.412 20 0 GEADMM CS[C@@H]1CCC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737169602 599227173 /nfs/dbraw/zinc/22/71/73/599227173.db2.gz BVEQXJLYDHDRHU-CHWSQXEVSA-N -1 1 390.513 2.307 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC000736291704 599235527 /nfs/dbraw/zinc/23/55/27/599235527.db2.gz YCMRTMQBMXRARP-VIFPVBQESA-N -1 1 393.375 2.121 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000818236452 597029448 /nfs/dbraw/zinc/02/94/48/597029448.db2.gz GDFNYQPMWBZROU-KRWDZBQOSA-N -1 1 378.473 2.068 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H](SC)C2)cc1-c1nn[n-]n1 ZINC000737187803 599242428 /nfs/dbraw/zinc/24/24/28/599242428.db2.gz VPCQYWYWQLIXLP-BDAKNGLRSA-N -1 1 380.499 2.093 20 0 GEADMM CCc1nn(Cc2cc(C)nc3ccccc23)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705941 599246382 /nfs/dbraw/zinc/24/63/82/599246382.db2.gz DHYOHNUZDMVNEI-UHFFFAOYSA-N -1 1 375.436 2.453 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000818583029 597506030 /nfs/dbraw/zinc/50/60/30/597506030.db2.gz NYBGSCKUXAFHNF-AEFFLSMTSA-N -1 1 375.469 2.338 20 0 GEADMM COCCN(Cc1ccc2c(c1)OCO2)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821690344 607305748 /nfs/dbraw/zinc/30/57/48/607305748.db2.gz HBCSJAWEEMHRTD-UHFFFAOYSA-N -1 1 388.815 2.297 20 0 GEADMM COCCN(Cc1ccc2c(c1)OCO2)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821690344 607305749 /nfs/dbraw/zinc/30/57/49/607305749.db2.gz HBCSJAWEEMHRTD-UHFFFAOYSA-N -1 1 388.815 2.297 20 0 GEADMM O=C(O[C@H]1CNC(=O)C1)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823521194 607323207 /nfs/dbraw/zinc/32/32/07/607323207.db2.gz SAEGSNTWQIYPNI-GFCCVEGCSA-N -1 1 399.794 2.358 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ccc(F)cc2C1 ZINC000823600369 607333227 /nfs/dbraw/zinc/33/32/27/607333227.db2.gz GSMLPIXTIGSDPI-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000422561911 598173425 /nfs/dbraw/zinc/17/34/25/598173425.db2.gz ODXWLVWYXZDPBA-UHFFFAOYSA-N -1 1 381.432 2.058 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000736368500 598265513 /nfs/dbraw/zinc/26/55/13/598265513.db2.gz GOIKJJRZLNLBGH-ZDUSSCGKSA-N -1 1 378.845 2.345 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000736368500 598265514 /nfs/dbraw/zinc/26/55/14/598265514.db2.gz GOIKJJRZLNLBGH-ZDUSSCGKSA-N -1 1 378.845 2.345 20 0 GEADMM CN(Cc1cccc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828985 598266675 /nfs/dbraw/zinc/26/66/75/598266675.db2.gz UECQPBGBKZUSBS-UHFFFAOYSA-N -1 1 380.433 2.236 20 0 GEADMM CN(Cc1cccc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828985 598266678 /nfs/dbraw/zinc/26/66/78/598266678.db2.gz UECQPBGBKZUSBS-UHFFFAOYSA-N -1 1 380.433 2.236 20 0 GEADMM C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736200978 598267055 /nfs/dbraw/zinc/26/70/55/598267055.db2.gz FURDZTYOKIMZFV-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736200978 598267058 /nfs/dbraw/zinc/26/70/58/598267058.db2.gz FURDZTYOKIMZFV-JTQLQIEISA-N -1 1 378.845 2.297 20 0 GEADMM O=S(=O)(N[C@@H](c1ccccc1)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330902 598267755 /nfs/dbraw/zinc/26/77/55/598267755.db2.gz UJRCRYSOQCDVDM-KRWDZBQOSA-N -1 1 384.465 2.472 20 0 GEADMM O=S(=O)(N[C@@H](c1ccccc1)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330902 598267757 /nfs/dbraw/zinc/26/77/57/598267757.db2.gz UJRCRYSOQCDVDM-KRWDZBQOSA-N -1 1 384.465 2.472 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000738353788 598268228 /nfs/dbraw/zinc/26/82/28/598268228.db2.gz GXSVCIFUECIXJF-OAHLLOKOSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000738353788 598268230 /nfs/dbraw/zinc/26/82/30/598268230.db2.gz GXSVCIFUECIXJF-OAHLLOKOSA-N -1 1 390.856 2.441 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nc2cccnc2[nH]1 ZINC000737549895 598311863 /nfs/dbraw/zinc/31/18/63/598311863.db2.gz ZZVGZMFRKHXJAQ-UHFFFAOYSA-N -1 1 390.363 2.187 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1nc2cccnc2[nH]1 ZINC000737549895 598311864 /nfs/dbraw/zinc/31/18/64/598311864.db2.gz ZZVGZMFRKHXJAQ-UHFFFAOYSA-N -1 1 390.363 2.187 20 0 GEADMM COc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1OCC(F)(F)F ZINC000737047201 598345710 /nfs/dbraw/zinc/34/57/10/598345710.db2.gz JLLQYKPPAOQICK-UHFFFAOYSA-N -1 1 381.318 2.219 20 0 GEADMM COc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1OCC(F)(F)F ZINC000737047201 598345711 /nfs/dbraw/zinc/34/57/11/598345711.db2.gz JLLQYKPPAOQICK-UHFFFAOYSA-N -1 1 381.318 2.219 20 0 GEADMM Cc1nc(C)c(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000737474899 598377125 /nfs/dbraw/zinc/37/71/25/598377125.db2.gz XXMNLUUQHBROAT-UHFFFAOYSA-N -1 1 388.453 2.333 20 0 GEADMM CCOc1cc2c(cc1C=CC(=O)N=c1cc[nH]cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000736636795 598379187 /nfs/dbraw/zinc/37/91/87/598379187.db2.gz SGFXRVKZVHLQNU-RXNFCKPNSA-N -1 1 392.419 2.058 20 0 GEADMM COC(=O)C(C)(C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736889568 598396253 /nfs/dbraw/zinc/39/62/53/598396253.db2.gz SBCOGHIALVJRMU-UHFFFAOYSA-N -1 1 399.382 2.480 20 0 GEADMM COC(=O)C(C)(C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736889568 598396255 /nfs/dbraw/zinc/39/62/55/598396255.db2.gz SBCOGHIALVJRMU-UHFFFAOYSA-N -1 1 399.382 2.480 20 0 GEADMM CNC(=O)CCN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736871463 598401954 /nfs/dbraw/zinc/40/19/54/598401954.db2.gz VBMOFCVIYIJIFJ-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM CNC(=O)CCN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736871463 598401956 /nfs/dbraw/zinc/40/19/56/598401956.db2.gz VBMOFCVIYIJIFJ-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM O=C(COC(=O)CC1CCCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737905106 598408826 /nfs/dbraw/zinc/40/88/26/598408826.db2.gz MGOGYVXPNGIYFA-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM O=C(COC(=O)CC1CCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737905106 598408828 /nfs/dbraw/zinc/40/88/28/598408828.db2.gz MGOGYVXPNGIYFA-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM COC(=O)NCCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736938220 598443741 /nfs/dbraw/zinc/44/37/41/598443741.db2.gz RIFUYVAGQSZRKK-UHFFFAOYSA-N -1 1 397.395 2.047 20 0 GEADMM CC(C)(C)OC(=O)N1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735632592 598576007 /nfs/dbraw/zinc/57/60/07/598576007.db2.gz DEDLGDJXGMHFNS-UHFFFAOYSA-N -1 1 379.852 2.362 20 0 GEADMM CC(C)(C)OC(=O)N1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735632592 598576005 /nfs/dbraw/zinc/57/60/05/598576005.db2.gz DEDLGDJXGMHFNS-UHFFFAOYSA-N -1 1 379.852 2.362 20 0 GEADMM Cc1cc(C(=O)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)c(C)o1 ZINC000737233284 598577228 /nfs/dbraw/zinc/57/72/28/598577228.db2.gz DGKFSVIKPZJMIT-UHFFFAOYSA-N -1 1 387.831 2.087 20 0 GEADMM Cc1cc(C(=O)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c(C)o1 ZINC000737233284 598577230 /nfs/dbraw/zinc/57/72/30/598577230.db2.gz DGKFSVIKPZJMIT-UHFFFAOYSA-N -1 1 387.831 2.087 20 0 GEADMM Clc1ccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)nc1 ZINC000737574631 598578028 /nfs/dbraw/zinc/57/80/28/598578028.db2.gz INLHGHNDNNBQHO-UHFFFAOYSA-N -1 1 377.239 2.290 20 0 GEADMM Clc1ccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)nc1 ZINC000737574631 598578029 /nfs/dbraw/zinc/57/80/29/598578029.db2.gz INLHGHNDNNBQHO-UHFFFAOYSA-N -1 1 377.239 2.290 20 0 GEADMM O=C(c1ccncc1)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738290736 598578126 /nfs/dbraw/zinc/57/81/26/598578126.db2.gz SXEFJIBYDFYORD-UHFFFAOYSA-N -1 1 384.831 2.027 20 0 GEADMM O=C(c1ccncc1)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738290736 598578127 /nfs/dbraw/zinc/57/81/27/598578127.db2.gz SXEFJIBYDFYORD-UHFFFAOYSA-N -1 1 384.831 2.027 20 0 GEADMM CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735707156 598578590 /nfs/dbraw/zinc/57/85/90/598578590.db2.gz GSLHKCDXLNTPIH-LLVKDONJSA-N -1 1 377.880 2.292 20 0 GEADMM CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735707156 598578592 /nfs/dbraw/zinc/57/85/92/598578592.db2.gz GSLHKCDXLNTPIH-LLVKDONJSA-N -1 1 377.880 2.292 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000737245630 598604812 /nfs/dbraw/zinc/60/48/12/598604812.db2.gz HBQCYMMBWDATHM-UHFFFAOYSA-N -1 1 393.407 2.206 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000737245630 598604814 /nfs/dbraw/zinc/60/48/14/598604814.db2.gz HBQCYMMBWDATHM-UHFFFAOYSA-N -1 1 393.407 2.206 20 0 GEADMM COc1ccccc1-c1noc(CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000737137780 598607507 /nfs/dbraw/zinc/60/75/07/598607507.db2.gz JFZXFSWFXJTURI-UHFFFAOYSA-N -1 1 393.407 2.428 20 0 GEADMM CCc1nn(Cc2csc(Br)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706354 598641787 /nfs/dbraw/zinc/64/17/87/598641787.db2.gz JNQVYTMGXJNMMO-UHFFFAOYSA-N -1 1 395.286 2.421 20 0 GEADMM CCc1nn(Cc2ncc(-c3cccs3)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708659 598642837 /nfs/dbraw/zinc/64/28/37/598642837.db2.gz YSNPGFOTIMVIST-UHFFFAOYSA-N -1 1 383.437 2.313 20 0 GEADMM CCCCCC[C@@H](C)NC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736445624 598643040 /nfs/dbraw/zinc/64/30/40/598643040.db2.gz LIXVFESYVINWTB-CYBMUJFWSA-N -1 1 389.504 2.023 20 0 GEADMM CCCCCC[C@H](C)NC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736445626 598643098 /nfs/dbraw/zinc/64/30/98/598643098.db2.gz LIXVFESYVINWTB-ZDUSSCGKSA-N -1 1 389.504 2.023 20 0 GEADMM CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736564562 598663451 /nfs/dbraw/zinc/66/34/51/598663451.db2.gz HYLMUYJFRCOSLA-UHFFFAOYSA-N -1 1 383.355 2.499 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000738314119 598693600 /nfs/dbraw/zinc/69/36/00/598693600.db2.gz QZNPGTLNXLCNKV-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCc1ccc(C)nc1 ZINC000737336423 598696532 /nfs/dbraw/zinc/69/65/32/598696532.db2.gz CMWLIGSDFGTWQD-UHFFFAOYSA-N -1 1 377.408 2.235 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCc1ccc(C)nc1 ZINC000737336423 598696535 /nfs/dbraw/zinc/69/65/35/598696535.db2.gz CMWLIGSDFGTWQD-UHFFFAOYSA-N -1 1 377.408 2.235 20 0 GEADMM CC1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)CC1 ZINC000736279770 598720519 /nfs/dbraw/zinc/72/05/19/598720519.db2.gz ZWNIECFVRNPUSQ-UHFFFAOYSA-N -1 1 386.843 2.094 20 0 GEADMM CC(C)OCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000735903410 598721642 /nfs/dbraw/zinc/72/16/42/598721642.db2.gz DTZGOXAJUYVVEM-UHFFFAOYSA-N -1 1 378.230 2.369 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000737276124 598746844 /nfs/dbraw/zinc/74/68/44/598746844.db2.gz ZBFZNIVMKUNNFU-UHFFFAOYSA-N -1 1 391.391 2.218 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000737276124 598746846 /nfs/dbraw/zinc/74/68/46/598746846.db2.gz ZBFZNIVMKUNNFU-UHFFFAOYSA-N -1 1 391.391 2.218 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000737770530 598759813 /nfs/dbraw/zinc/75/98/13/598759813.db2.gz KJTGPLLUYIPCKJ-UHFFFAOYSA-N -1 1 383.318 2.404 20 0 GEADMM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736665321 598767978 /nfs/dbraw/zinc/76/79/78/598767978.db2.gz GXPFIXBRMQIREM-LLVKDONJSA-N -1 1 390.494 2.413 20 0 GEADMM CCSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736665321 598767979 /nfs/dbraw/zinc/76/79/79/598767979.db2.gz GXPFIXBRMQIREM-LLVKDONJSA-N -1 1 390.494 2.413 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CCc2ccccc2C)c(-c2nn[n-]n2)c1C ZINC000737425826 598780919 /nfs/dbraw/zinc/78/09/19/598780919.db2.gz DOLQIYPQSOIWIL-UHFFFAOYSA-N -1 1 383.408 2.499 20 0 GEADMM Cc1ncc(C=CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000737491299 598781534 /nfs/dbraw/zinc/78/15/34/598781534.db2.gz GYKVFFCROFLWAS-SNAWJCMRSA-N -1 1 388.409 2.037 20 0 GEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000737332676 599294298 /nfs/dbraw/zinc/29/42/98/599294298.db2.gz RAUCCQQMZQCVRR-LBPRGKRZSA-N -1 1 377.401 2.433 20 0 GEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000737332676 599294300 /nfs/dbraw/zinc/29/43/00/599294300.db2.gz RAUCCQQMZQCVRR-LBPRGKRZSA-N -1 1 377.401 2.433 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000822904385 599319525 /nfs/dbraw/zinc/31/95/25/599319525.db2.gz XBNWDZFUZBILND-UHFFFAOYSA-N -1 1 385.309 2.418 20 0 GEADMM Cc1cccc(OCCN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000822329110 599336049 /nfs/dbraw/zinc/33/60/49/599336049.db2.gz YIUBVZRVDPVAGB-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM Cc1cccc(OCCN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000822329110 599336052 /nfs/dbraw/zinc/33/60/52/599336052.db2.gz YIUBVZRVDPVAGB-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821221790 599337840 /nfs/dbraw/zinc/33/78/40/599337840.db2.gz MLWRRSMNRZXLPM-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821221790 599337842 /nfs/dbraw/zinc/33/78/42/599337842.db2.gz MLWRRSMNRZXLPM-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM Cc1ncc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000822467297 599338624 /nfs/dbraw/zinc/33/86/24/599338624.db2.gz KYPGRPJKDPJSEG-UHFFFAOYSA-N -1 1 384.874 2.106 20 0 GEADMM CN(C1Cc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821592830 599340266 /nfs/dbraw/zinc/34/02/66/599340266.db2.gz XDBORYAEVIMBRZ-UHFFFAOYSA-N -1 1 389.868 2.308 20 0 GEADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820665168 599350840 /nfs/dbraw/zinc/35/08/40/599350840.db2.gz DRJXRLKQQSTHFJ-WWGRRREGSA-N -1 1 384.465 2.217 20 0 GEADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820665168 599350842 /nfs/dbraw/zinc/35/08/42/599350842.db2.gz DRJXRLKQQSTHFJ-WWGRRREGSA-N -1 1 384.465 2.217 20 0 GEADMM CCOc1ccc(C(=O)N2CCC(Nc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000736635459 599398580 /nfs/dbraw/zinc/39/85/80/599398580.db2.gz CHDQKXMKGHWWMB-UHFFFAOYSA-N -1 1 393.451 2.377 20 0 GEADMM CCOc1ccc(C(=O)N2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000736635459 599398583 /nfs/dbraw/zinc/39/85/83/599398583.db2.gz CHDQKXMKGHWWMB-UHFFFAOYSA-N -1 1 393.451 2.377 20 0 GEADMM CC(C)c1ccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000735922582 599401422 /nfs/dbraw/zinc/40/14/22/599401422.db2.gz MMYJUOUWZKOKLB-UHFFFAOYSA-N -1 1 377.452 2.348 20 0 GEADMM CC(C)c1ccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000735922582 599401425 /nfs/dbraw/zinc/40/14/25/599401425.db2.gz MMYJUOUWZKOKLB-UHFFFAOYSA-N -1 1 377.452 2.348 20 0 GEADMM Cc1cc(Cl)cc2c1N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737265139 599450388 /nfs/dbraw/zinc/45/03/88/599450388.db2.gz UCTQNLKWKLDKRV-UHFFFAOYSA-N -1 1 390.856 2.365 20 0 GEADMM Cc1cc(Cl)cc2c1N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737265139 599450390 /nfs/dbraw/zinc/45/03/90/599450390.db2.gz UCTQNLKWKLDKRV-UHFFFAOYSA-N -1 1 390.856 2.365 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CCc2ccc(C)o2)cc1-c1nn[n-]n1 ZINC000821969466 599489071 /nfs/dbraw/zinc/48/90/71/599489071.db2.gz ATIQSBABFGGYCB-SECBINFHSA-N -1 1 388.453 2.342 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820634773 599492113 /nfs/dbraw/zinc/49/21/13/599492113.db2.gz JKJSMZSGEQCNDD-AWEZNQCLSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820634773 599492114 /nfs/dbraw/zinc/49/21/14/599492114.db2.gz JKJSMZSGEQCNDD-AWEZNQCLSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C1CC1 ZINC000820643295 599492169 /nfs/dbraw/zinc/49/21/69/599492169.db2.gz TZFNRTQHRHWOAO-OAHLLOKOSA-N -1 1 386.412 2.162 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C1CC1 ZINC000820643295 599492171 /nfs/dbraw/zinc/49/21/71/599492171.db2.gz TZFNRTQHRHWOAO-OAHLLOKOSA-N -1 1 386.412 2.162 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737187761 599494993 /nfs/dbraw/zinc/49/49/93/599494993.db2.gz UESWNGXPMNKZLM-YMTOWFKASA-N -1 1 382.449 2.353 20 0 GEADMM O=C(CNc1cc(-c2nnn[n-]2)nc2ccccc21)N1CCc2ccccc2C1 ZINC000823009310 599520023 /nfs/dbraw/zinc/52/00/23/599520023.db2.gz CTMNWGVAVZMCHZ-UHFFFAOYSA-N -1 1 385.431 2.412 20 0 GEADMM O=C(CNc1cc(-c2nn[n-]n2)nc2ccccc21)N1CCc2ccccc2C1 ZINC000823009310 599520026 /nfs/dbraw/zinc/52/00/26/599520026.db2.gz CTMNWGVAVZMCHZ-UHFFFAOYSA-N -1 1 385.431 2.412 20 0 GEADMM CN(C)C(=O)C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)c2ccc(Cl)cc21 ZINC000821575870 599575763 /nfs/dbraw/zinc/57/57/63/599575763.db2.gz SKGOUVOGZRRMND-SNVBAGLBSA-N -1 1 384.831 2.024 20 0 GEADMM CN(C)C(=O)C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)c2ccc(Cl)cc21 ZINC000821575870 599575766 /nfs/dbraw/zinc/57/57/66/599575766.db2.gz SKGOUVOGZRRMND-SNVBAGLBSA-N -1 1 384.831 2.024 20 0 GEADMM C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000735964268 599593495 /nfs/dbraw/zinc/59/34/95/599593495.db2.gz XKBPRVJRPJDVEE-QMMMGPOBSA-N -1 1 375.376 2.305 20 0 GEADMM Cc1ccccc1[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737421533 599596188 /nfs/dbraw/zinc/59/61/88/599596188.db2.gz KJICECUUGREDQA-KBPBESRZSA-N -1 1 384.465 2.137 20 0 GEADMM Cc1ccccc1[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737421533 599596189 /nfs/dbraw/zinc/59/61/89/599596189.db2.gz KJICECUUGREDQA-KBPBESRZSA-N -1 1 384.465 2.137 20 0 GEADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1nccs1 ZINC000736365525 599604020 /nfs/dbraw/zinc/60/40/20/599604020.db2.gz WOQPBBGMRCMSEV-SECBINFHSA-N -1 1 377.455 2.027 20 0 GEADMM CCCCOC(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821071476 599650846 /nfs/dbraw/zinc/65/08/46/599650846.db2.gz FXFQAJDUZNONJN-LBPRGKRZSA-N -1 1 387.396 2.447 20 0 GEADMM CCCCOC(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821071476 599650847 /nfs/dbraw/zinc/65/08/47/599650847.db2.gz FXFQAJDUZNONJN-LBPRGKRZSA-N -1 1 387.396 2.447 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)ccc1C ZINC000821667963 599689808 /nfs/dbraw/zinc/68/98/08/599689808.db2.gz IPGYYHXIJMDBEY-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738149476 599710079 /nfs/dbraw/zinc/71/00/79/599710079.db2.gz PEVVRLQNFIIMSA-UHFFFAOYSA-N -1 1 394.391 2.243 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CCCN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736813997 599732903 /nfs/dbraw/zinc/73/29/03/599732903.db2.gz HCDXUCDTONFQRF-IYBDPMFKSA-N -1 1 377.485 2.302 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2I)o1 ZINC000020593476 599734357 /nfs/dbraw/zinc/73/43/57/599734357.db2.gz OJENRVMKJXXMDE-UHFFFAOYSA-N -1 1 393.158 2.383 20 0 GEADMM O=C([O-])NCCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000739938411 599745912 /nfs/dbraw/zinc/74/59/12/599745912.db2.gz TWSVBTFYSOSSIH-UHFFFAOYSA-N -1 1 396.491 2.283 20 0 GEADMM Cc1[nH]c(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738154745 599749839 /nfs/dbraw/zinc/74/98/39/599749839.db2.gz KQFQIDOXYLCYEO-KRWDZBQOSA-N -1 1 384.480 2.048 20 0 GEADMM Cc1[nH]c(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738154747 599749871 /nfs/dbraw/zinc/74/98/71/599749871.db2.gz KQFQIDOXYLCYEO-QGZVFWFLSA-N -1 1 384.480 2.048 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1cc(F)ccc1F ZINC000737578792 599814428 /nfs/dbraw/zinc/81/44/28/599814428.db2.gz ODLCIOPGODWQDT-HNNXBMFYSA-N -1 1 399.371 2.164 20 0 GEADMM COCc1cccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000737835432 599815161 /nfs/dbraw/zinc/81/51/61/599815161.db2.gz WSJWBRRMWWHMCR-UHFFFAOYSA-N -1 1 385.419 2.180 20 0 GEADMM O=C([O-])C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1cccs1 ZINC000739626842 599816501 /nfs/dbraw/zinc/81/65/01/599816501.db2.gz LIXYVXVAYBVQQE-CYBMUJFWSA-N -1 1 386.433 2.077 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736352265 599827481 /nfs/dbraw/zinc/82/74/81/599827481.db2.gz JEORXNLVMBGLLI-GOSISDBHSA-N -1 1 376.501 2.097 20 0 GEADMM Cc1csc2nc(CN(CC(=O)[O-])Cc3ccc(F)c(F)c3)cc(=O)n12 ZINC000738821980 599864143 /nfs/dbraw/zinc/86/41/43/599864143.db2.gz UXIYJLZNEJZORK-UHFFFAOYSA-N -1 1 379.388 2.429 20 0 GEADMM CC1CCC(N(CC(=O)NCCC(=O)[O-])Cc2ccc3c(c2)OCO3)CC1 ZINC000736762890 599874260 /nfs/dbraw/zinc/87/42/60/599874260.db2.gz SOZIZVWGEFYVGX-UHFFFAOYSA-N -1 1 376.453 2.387 20 0 GEADMM O=C([O-])Nc1cccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000740031586 599896409 /nfs/dbraw/zinc/89/64/09/599896409.db2.gz PBUYQACSSBMQKO-UHFFFAOYSA-N -1 1 382.464 2.324 20 0 GEADMM NC(=O)[C@H](NCCOc1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000739147360 599941198 /nfs/dbraw/zinc/94/11/98/599941198.db2.gz CBTYQVZVZGKFGX-OAHLLOKOSA-N -1 1 393.237 2.342 20 0 GEADMM C[C@@H](O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000736678934 599960112 /nfs/dbraw/zinc/96/01/12/599960112.db2.gz ZKSJNJLKVPZECC-UONOGXRCSA-N -1 1 375.494 2.395 20 0 GEADMM CN(C(=O)[O-])c1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000737331286 599962892 /nfs/dbraw/zinc/96/28/92/599962892.db2.gz HQVTVAMVRCJRCR-UHFFFAOYSA-N -1 1 381.392 2.436 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)CCSCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736815689 599964211 /nfs/dbraw/zinc/96/42/11/599964211.db2.gz VZDDTPVVEAQFKS-GJZGRUSLSA-N -1 1 380.510 2.120 20 0 GEADMM Cc1cnn(CC2CCN([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738812213 599971678 /nfs/dbraw/zinc/97/16/78/599971678.db2.gz NFCBSTOXMLBFSE-INIZCTEOSA-N -1 1 384.480 2.307 20 0 GEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)NC1CCN(Cc3ccncc3)CC1)C2 ZINC000740204355 600018191 /nfs/dbraw/zinc/01/81/91/600018191.db2.gz TVBYTAXYDJHHBV-UHFFFAOYSA-N -1 1 380.448 2.470 20 0 GEADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)NCCCC(=O)[O-])CC2)c1C ZINC000573681095 600032249 /nfs/dbraw/zinc/03/22/49/600032249.db2.gz ONGWLRZKKHZISP-UHFFFAOYSA-N -1 1 392.500 2.178 20 0 GEADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1OC ZINC000737871655 600099703 /nfs/dbraw/zinc/09/97/03/600099703.db2.gz MAGHKJPXOOFZQM-WAYWQWQTSA-N -1 1 395.437 2.380 20 0 GEADMM C[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000737529600 600103259 /nfs/dbraw/zinc/10/32/59/600103259.db2.gz LPBRVAYSQHJVQK-UHFFFAOYSA-N -1 1 393.440 2.077 20 0 GEADMM Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738262012 600120088 /nfs/dbraw/zinc/12/00/88/600120088.db2.gz RTAFORHTURUQQM-HXUWFJFHSA-N -1 1 397.475 2.295 20 0 GEADMM Cc1c(Cl)cccc1NC(=O)CNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000738290730 600149457 /nfs/dbraw/zinc/14/94/57/600149457.db2.gz JDPYLTUMXVCDPK-UHFFFAOYSA-N -1 1 381.860 2.080 20 0 GEADMM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1c[nH]c2ccccc2c1=O ZINC000737171212 600162079 /nfs/dbraw/zinc/16/20/79/600162079.db2.gz MFTNKMARTUQPSU-UHFFFAOYSA-N -1 1 384.388 2.498 20 0 GEADMM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)Cc1ccc(O)cc1 ZINC000739498924 600172887 /nfs/dbraw/zinc/17/28/87/600172887.db2.gz NPWIIIXQTSNUAR-QUCCMNQESA-N -1 1 382.460 2.416 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000739825771 600177943 /nfs/dbraw/zinc/17/79/43/600177943.db2.gz HQGAYRDQKQTXIN-UHFFFAOYSA-N -1 1 395.824 2.158 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)NC[C@H](C)N(C)Cc2ccccc2)c(C(=O)[O-])c1C ZINC000736180592 600206080 /nfs/dbraw/zinc/20/60/80/600206080.db2.gz HWXMSXGNFNKFRY-ZDUSSCGKSA-N -1 1 385.464 2.403 20 0 GEADMM Cc1[nH]nc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C(=O)[O-] ZINC000738829948 600230949 /nfs/dbraw/zinc/23/09/49/600230949.db2.gz UXLJKANPLIBGAW-UHFFFAOYSA-N -1 1 387.801 2.032 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCOC3=O)cc2)c(F)cc1F ZINC000740089291 600234355 /nfs/dbraw/zinc/23/43/55/600234355.db2.gz CZTQUDBFVDEGRT-UHFFFAOYSA-N -1 1 398.343 2.420 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(OC(F)F)c1 ZINC000740316843 600237837 /nfs/dbraw/zinc/23/78/37/600237837.db2.gz QQVBXVNTMQCWEC-UHFFFAOYSA-N -1 1 398.343 2.282 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)CC(=O)N(C)c3ccccc3C(=O)[O-])C2)nn1 ZINC000738614207 600274542 /nfs/dbraw/zinc/27/45/42/600274542.db2.gz JQJXHMKUCHXJLD-MRXNPFEDSA-N -1 1 397.479 2.047 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2[nH]c1=S ZINC000739015467 600280631 /nfs/dbraw/zinc/28/06/31/600280631.db2.gz ZVVVONXJYOFEAQ-ZDUSSCGKSA-N -1 1 381.413 2.051 20 0 GEADMM NC(CN1CCCCCC1)=NOCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000739183838 600284274 /nfs/dbraw/zinc/28/42/74/600284274.db2.gz KRXWQJOKXCKAJK-UHFFFAOYSA-N -1 1 394.497 2.248 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736219152 600293338 /nfs/dbraw/zinc/29/33/38/600293338.db2.gz WXVMBJXCPYMJSH-QAPCUYQASA-N -1 1 387.480 2.037 20 0 GEADMM CCOc1ccc([C@@H](C)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000737194343 600309275 /nfs/dbraw/zinc/30/92/75/600309275.db2.gz CGANJLXLMLJVKV-GDBMZVCRSA-N -1 1 390.480 2.458 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736352271 600342501 /nfs/dbraw/zinc/34/25/01/600342501.db2.gz JEOUBYWAGUCGEQ-GOSISDBHSA-N -1 1 391.516 2.190 20 0 GEADMM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000739721263 600502188 /nfs/dbraw/zinc/50/21/88/600502188.db2.gz FNCRQIOKQWMMAZ-NSHDSACASA-N -1 1 396.241 2.421 20 0 GEADMM O=C([O-])CN(CCN1CCOCC1)Cc1cc(Br)ccc1Cl ZINC000739792091 600540892 /nfs/dbraw/zinc/54/08/92/600540892.db2.gz SHSOSARNOZKYEY-UHFFFAOYSA-N -1 1 391.693 2.321 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000738498447 600549902 /nfs/dbraw/zinc/54/99/02/600549902.db2.gz HXBNVORJMXVZQN-SFHVURJKSA-N -1 1 381.432 2.104 20 0 GEADMM C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736643123 600563088 /nfs/dbraw/zinc/56/30/88/600563088.db2.gz QJXNGGKHICBTIH-CQSZACIVSA-N -1 1 392.475 2.145 20 0 GEADMM CCOC(=O)C1C(CS[C@@H](C)CC(=O)[O-])=NC(=O)N[C@H]1c1ccccc1 ZINC000737133801 600591308 /nfs/dbraw/zinc/59/13/08/600591308.db2.gz KRBNWJMLTLZVSJ-ZBEGNZNMSA-N -1 1 378.450 2.454 20 0 GEADMM COc1ccc(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1C(=O)[O-] ZINC000738004583 600654258 /nfs/dbraw/zinc/65/42/58/600654258.db2.gz YPTSPULNRPKTBT-UHFFFAOYSA-N -1 1 397.475 2.071 20 0 GEADMM CN(C(=O)[O-])c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000737330245 600661153 /nfs/dbraw/zinc/66/11/53/600661153.db2.gz COQYCOPYUGREEA-UHFFFAOYSA-N -1 1 383.452 2.347 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c[nH]1 ZINC000299656284 600676374 /nfs/dbraw/zinc/67/63/74/600676374.db2.gz YHPJQVUUHPYHPZ-UHFFFAOYSA-N -1 1 377.422 2.140 20 0 GEADMM COC(=O)c1c(N)sc(C(=O)[O-])c1COC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000737648083 600735621 /nfs/dbraw/zinc/73/56/21/600735621.db2.gz DKEIHIANASNCNK-ZDUSSCGKSA-N -1 1 398.481 2.369 20 0 GEADMM O=C([O-])[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F ZINC000833165261 600737456 /nfs/dbraw/zinc/73/74/56/600737456.db2.gz HJLOPWVEMTYXOU-HNNXBMFYSA-N -1 1 386.832 2.173 20 0 GEADMM Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000232755004 600766125 /nfs/dbraw/zinc/76/61/25/600766125.db2.gz GKPLMHYXUZDPIS-INIZCTEOSA-N -1 1 376.478 2.144 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000831084462 600778673 /nfs/dbraw/zinc/77/86/73/600778673.db2.gz LHVPXGFAQXFMCJ-OAHLLOKOSA-N -1 1 399.371 2.164 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000830857048 600786508 /nfs/dbraw/zinc/78/65/08/600786508.db2.gz RIRWRNVJIGYYMC-CQSZACIVSA-N -1 1 380.491 2.341 20 0 GEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCOC[C@@H]1CCCO1)CC2 ZINC000571810965 600792382 /nfs/dbraw/zinc/79/23/82/600792382.db2.gz PFMFZNNQMRUXPT-RDJZCZTQSA-N -1 1 379.453 2.273 20 0 GEADMM Cn1ccnc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)c1=O ZINC000833059521 600800951 /nfs/dbraw/zinc/80/09/51/600800951.db2.gz PTXFXMFAHSDVMQ-UHFFFAOYSA-N -1 1 384.461 2.015 20 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/nfs/dbraw/zinc/86/35/92/600863592.db2.gz RQIAFOPQJWYNCV-UHFFFAOYSA-N -1 1 386.795 2.478 20 0 GEADMM CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738177547 600886994 /nfs/dbraw/zinc/88/69/94/600886994.db2.gz SWVNQOVOSRLYPX-UHFFFAOYSA-N -1 1 389.838 2.243 20 0 GEADMM COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506710642 600889987 /nfs/dbraw/zinc/88/99/87/600889987.db2.gz IDOVSEWUKASASD-UHFFFAOYSA-N -1 1 392.433 2.204 20 0 GEADMM CCc1nnc([C@@H]2CN(C(=O)c3ccccc3S[C@H](C)C(=O)[O-])CCO2)[nH]1 ZINC000830304288 600920746 /nfs/dbraw/zinc/92/07/46/600920746.db2.gz IDFJPSJCKJSCQN-YPMHNXCESA-N -1 1 390.465 2.146 20 0 GEADMM Cc1nnc(SCC(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])[nH]1 ZINC000832990630 600951137 /nfs/dbraw/zinc/95/11/37/600951137.db2.gz HMOGLFLCMFLAKD-HNNXBMFYSA-N -1 1 384.461 2.418 20 0 GEADMM Cc1n[nH]c(SCC(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])n1 ZINC000832990630 600951141 /nfs/dbraw/zinc/95/11/41/600951141.db2.gz HMOGLFLCMFLAKD-HNNXBMFYSA-N -1 1 384.461 2.418 20 0 GEADMM CN1CCN(CCOc2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000830954876 600977044 /nfs/dbraw/zinc/97/70/44/600977044.db2.gz PMVWWLGDTQJDCT-DLBZAZTESA-N -1 1 389.496 2.142 20 0 GEADMM C[C@H]1CCCN1C(=O)CCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000828271605 600986107 /nfs/dbraw/zinc/98/61/07/600986107.db2.gz HFJYICBDQFAMOS-KXBFYZLASA-N -1 1 393.915 2.484 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000737371161 601020806 /nfs/dbraw/zinc/02/08/06/601020806.db2.gz ZDCRLXONSQHGHW-UHFFFAOYSA-N -1 1 394.431 2.139 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)N1CCN(C)CC1 ZINC000826686610 601088000 /nfs/dbraw/zinc/08/80/00/601088000.db2.gz AVPLNCRAPOKFBQ-GOSISDBHSA-N -1 1 390.528 2.442 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CC1 ZINC000827375524 601089614 /nfs/dbraw/zinc/08/96/14/601089614.db2.gz YIXALXQOBOBYPA-NSHDSACASA-N -1 1 381.379 2.390 20 0 GEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224137 601091008 /nfs/dbraw/zinc/09/10/08/601091008.db2.gz NYSCTCKYYCWJAR-QWHCGFSZSA-N -1 1 388.386 2.480 20 0 GEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630226421 601095523 /nfs/dbraw/zinc/09/55/23/601095523.db2.gz XUSCMQOITHKJMB-CYBMUJFWSA-N -1 1 388.443 2.249 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000630226386 601104420 /nfs/dbraw/zinc/10/44/20/601104420.db2.gz XQBRVSKNPDSWFD-GFCCVEGCSA-N -1 1 382.844 2.122 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000630224915 601107031 /nfs/dbraw/zinc/10/70/31/601107031.db2.gz RCTXZMJVDFDYRC-CYBMUJFWSA-N -1 1 391.468 2.499 20 0 GEADMM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000739813513 601116044 /nfs/dbraw/zinc/11/60/44/601116044.db2.gz USJCHBPQUIGOLB-LJQANCHMSA-N -1 1 395.459 2.494 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)c2)CC1 ZINC000737528260 601126194 /nfs/dbraw/zinc/12/61/94/601126194.db2.gz AXBSYXGAVFCFOE-FQEVSTJZSA-N -1 1 381.476 2.380 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000827369310 601129297 /nfs/dbraw/zinc/12/92/97/601129297.db2.gz UPNLYUISUVJNSD-CRAIPNDOSA-N -1 1 391.468 2.257 20 0 GEADMM CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000828759712 601130424 /nfs/dbraw/zinc/13/04/24/601130424.db2.gz YPMOQMHALAVDOA-GJZGRUSLSA-N -1 1 390.484 2.228 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000827369083 601132762 /nfs/dbraw/zinc/13/27/62/601132762.db2.gz NQEXWXPZSLUNIZ-CQSZACIVSA-N -1 1 390.484 2.228 20 0 GEADMM COC(=O)C(C)(C)c1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000831053159 601135230 /nfs/dbraw/zinc/13/52/30/601135230.db2.gz MPKGHOOWMSKFML-AWEZNQCLSA-N -1 1 391.468 2.150 20 0 GEADMM O=C([O-])[C@H](c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000833172595 601139670 /nfs/dbraw/zinc/13/96/70/601139670.db2.gz 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COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(C)(C)O)cc1 ZINC000265481963 601224113 /nfs/dbraw/zinc/22/41/13/601224113.db2.gz FMFQOXSEWQHWEB-UHFFFAOYSA-N -1 1 395.433 2.344 20 0 GEADMM C[C@H](Sc1ccccc1C(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC000827915021 601271868 /nfs/dbraw/zinc/27/18/68/601271868.db2.gz JYZUZLOELDYIQN-AWEZNQCLSA-N -1 1 378.494 2.189 20 0 GEADMM Cc1nc(C(=O)Oc2ccc(NC(=O)[O-])cc2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000832995660 601276703 /nfs/dbraw/zinc/27/67/03/601276703.db2.gz HGEGWTRMKYCXFH-UHFFFAOYSA-N -1 1 397.273 2.022 20 0 GEADMM COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000776459949 601331234 /nfs/dbraw/zinc/33/12/34/601331234.db2.gz ICQGAGFMSONZRE-YFHOEESVSA-N -1 1 377.374 2.077 20 0 GEADMM CCOC(=O)c1ccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000829881190 601338740 /nfs/dbraw/zinc/33/87/40/601338740.db2.gz AWDFEFKKRRZRDO-ZDUSSCGKSA-N -1 1 379.482 2.041 20 0 GEADMM O=C([O-])[C@@H]1CC12CCN(C(=O)NCC1(CN3CCOCC3)CCCCC1)CC2 ZINC000833178377 601362704 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C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451597 601818868 /nfs/dbraw/zinc/81/88/68/601818868.db2.gz UWUJQGVIEIVDRE-JRQSSSKMSA-N -1 1 381.432 2.217 20 0 GEADMM Cc1cc(I)ccc1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000035391496 601822420 /nfs/dbraw/zinc/82/24/20/601822420.db2.gz RSULABZONXNBQL-ZDUSSCGKSA-N -1 1 390.221 2.237 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)OCCCO2 ZINC000833344905 601832957 /nfs/dbraw/zinc/83/29/57/601832957.db2.gz LLCVVOZHXSJNLT-UHFFFAOYSA-N -1 1 384.797 2.395 20 0 GEADMM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751143476 601840900 /nfs/dbraw/zinc/84/09/00/601840900.db2.gz SIEOLYJNAKIXNL-UHFFFAOYSA-N -1 1 389.307 2.390 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC000832922804 601854067 /nfs/dbraw/zinc/85/40/67/601854067.db2.gz SJQNGEFFYNOLRD-QGZVFWFLSA-N -1 1 387.411 2.190 20 0 GEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000833318009 601856343 /nfs/dbraw/zinc/85/63/43/601856343.db2.gz CRPDMVJCHRJKAF-GFCCVEGCSA-N -1 1 381.381 2.492 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000828029228 601891485 /nfs/dbraw/zinc/89/14/85/601891485.db2.gz WSVMPHSGILPCQR-SFTDATJTSA-N -1 1 381.432 2.361 20 0 GEADMM COc1ccc(OC)c(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000739933025 601934040 /nfs/dbraw/zinc/93/40/40/601934040.db2.gz YQOYXZRMAVLHSI-UHFFFAOYSA-N -1 1 377.441 2.249 20 0 GEADMM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000739313186 601950233 /nfs/dbraw/zinc/95/02/33/601950233.db2.gz NSTCGQMLYUAAAI-CZUORRHYSA-N -1 1 380.464 2.191 20 0 GEADMM CO[C@H](C)c1noc(CN2CCCN(Cc3ccc(C(=O)[O-])s3)CC2)n1 ZINC000831505044 601964733 /nfs/dbraw/zinc/96/47/33/601964733.db2.gz BZCVECVIWFJDIT-GFCCVEGCSA-N -1 1 380.470 2.245 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CN1Cc1ccccc1 ZINC000828168878 601968949 /nfs/dbraw/zinc/96/89/49/601968949.db2.gz RGKJZSFSBDTXPB-YJBOKZPZSA-N -1 1 395.459 2.031 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000828167272 601969208 /nfs/dbraw/zinc/96/92/08/601969208.db2.gz FEPZMMJFZWECHZ-TZMCWYRMSA-N -1 1 387.461 2.164 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000828167021 601969227 /nfs/dbraw/zinc/96/92/27/601969227.db2.gz AJHMUIAKECTLHF-CZUORRHYSA-N -1 1 399.422 2.242 20 0 GEADMM Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832942597 601969755 /nfs/dbraw/zinc/96/97/55/601969755.db2.gz YUFNUTNKCPAJPV-YJBOKZPZSA-N -1 1 395.459 2.411 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000740081686 602007526 /nfs/dbraw/zinc/00/75/26/602007526.db2.gz ZCSVTRPYSKLVLN-QGZVFWFLSA-N -1 1 389.500 2.353 20 0 GEADMM COc1ccccc1-c1nnc(SCc2ccnc(-c3nnn[n-]3)c2)n1C ZINC000826217840 607539024 /nfs/dbraw/zinc/53/90/24/607539024.db2.gz FDORYUSWSSEDNB-UHFFFAOYSA-N -1 1 380.437 2.358 20 0 GEADMM COc1ccccc1-c1nnc(SCc2ccnc(-c3nn[n-]n3)c2)n1C ZINC000826217840 607539025 /nfs/dbraw/zinc/53/90/25/607539025.db2.gz FDORYUSWSSEDNB-UHFFFAOYSA-N -1 1 380.437 2.358 20 0 GEADMM CC[C@@H](C)[C@@H](NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000828736533 602027044 /nfs/dbraw/zinc/02/70/44/602027044.db2.gz ICTKBBYGFNBJOP-NOZJJQNGSA-N -1 1 390.221 2.319 20 0 GEADMM NS(=O)(=O)C[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833087741 602041855 /nfs/dbraw/zinc/04/18/55/602041855.db2.gz CPHSCZFMKIHODT-ZANVPECISA-N -1 1 381.281 2.120 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739946364 602061569 /nfs/dbraw/zinc/06/15/69/602061569.db2.gz SZHJLRDDEAQWIY-MAUKXSAKSA-N -1 1 392.500 2.329 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739945374 602061640 /nfs/dbraw/zinc/06/16/40/602061640.db2.gz KGNUXFXFJQCNSW-DOTOQJQBSA-N -1 1 378.473 2.082 20 0 GEADMM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000827646571 602065954 /nfs/dbraw/zinc/06/59/54/602065954.db2.gz TZCZYVYQCQYWDT-VBKZILBWSA-N -1 1 392.475 2.145 20 0 GEADMM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000827646570 602066322 /nfs/dbraw/zinc/06/63/22/602066322.db2.gz TZCZYVYQCQYWDT-JLTOFOAXSA-N -1 1 392.475 2.145 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000738621173 602078724 /nfs/dbraw/zinc/07/87/24/602078724.db2.gz YPKZXLPPMIJLDQ-UHFFFAOYSA-N -1 1 383.429 2.341 20 0 GEADMM O=C([O-])NC[C@H]1CCCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740635804 602103294 /nfs/dbraw/zinc/10/32/94/602103294.db2.gz QBULSVJEXZCQNM-MRXNPFEDSA-N -1 1 392.475 2.479 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000739226863 602116134 /nfs/dbraw/zinc/11/61/34/602116134.db2.gz CIABLDHSWATHFU-YJBOKZPZSA-N -1 1 377.485 2.412 20 0 GEADMM Clc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1-n1nnnc1C1CC1 ZINC000826352968 607551881 /nfs/dbraw/zinc/55/18/81/607551881.db2.gz WCKQDKZTALTRGT-UHFFFAOYSA-N -1 1 394.830 2.380 20 0 GEADMM Clc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1-n1nnnc1C1CC1 ZINC000826352968 607551883 /nfs/dbraw/zinc/55/18/83/607551883.db2.gz WCKQDKZTALTRGT-UHFFFAOYSA-N -1 1 394.830 2.380 20 0 GEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000825977671 602230741 /nfs/dbraw/zinc/23/07/41/602230741.db2.gz LZQLKTGENXLFOD-GJZGRUSLSA-N -1 1 382.501 2.142 20 0 GEADMM Cc1n[nH]c([C@H]2CCCN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)n1 ZINC000832996877 602233283 /nfs/dbraw/zinc/23/32/83/602233283.db2.gz IEMCMTIPPOUCJT-NSHDSACASA-N -1 1 389.481 2.180 20 0 GEADMM Cc1nnc([C@H]2CCCN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)[nH]1 ZINC000832996877 602233286 /nfs/dbraw/zinc/23/32/86/602233286.db2.gz IEMCMTIPPOUCJT-NSHDSACASA-N -1 1 389.481 2.180 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739028878 602270664 /nfs/dbraw/zinc/27/06/64/602270664.db2.gz WTLQMLHUVQXLHT-LLVKDONJSA-N -1 1 393.403 2.360 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])N1CCCC1 ZINC000739964131 602341810 /nfs/dbraw/zinc/34/18/10/602341810.db2.gz PREOVQMRAQGFAG-LSDHHAIUSA-N -1 1 379.482 2.001 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)[O-])n2)cc1 ZINC000739880855 602364330 /nfs/dbraw/zinc/36/43/30/602364330.db2.gz YFFGIJMKXLXABU-IMJJTQAJSA-N -1 1 399.451 2.408 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)[O-])n[nH]2)cc1 ZINC000739880855 602364334 /nfs/dbraw/zinc/36/43/34/602364334.db2.gz YFFGIJMKXLXABU-IMJJTQAJSA-N -1 1 399.451 2.408 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)C3(NC(=O)[O-])CCCC3)CC2)cc1 ZINC000739902865 602370826 /nfs/dbraw/zinc/37/08/26/602370826.db2.gz DVHDYNYVAIRJCQ-UHFFFAOYSA-N -1 1 375.469 2.310 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000739318641 602390433 /nfs/dbraw/zinc/39/04/33/602390433.db2.gz XDKXUAZZYYENCF-MPGHIAIKSA-N -1 1 377.485 2.348 20 0 GEADMM O=C([O-])N[C@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000740690432 602390788 /nfs/dbraw/zinc/39/07/88/602390788.db2.gz WLUKQTLWANXFLT-FQEVSTJZSA-N -1 1 396.491 2.324 20 0 GEADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000738628417 602451928 /nfs/dbraw/zinc/45/19/28/602451928.db2.gz DPPPJHVRANQRNF-CVEARBPZSA-N -1 1 392.475 2.160 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)[O-])N1CCCC1 ZINC000739964115 602492812 /nfs/dbraw/zinc/49/28/12/602492812.db2.gz PLLREFSPVUTGNO-IAGOWNOFSA-N -1 1 375.469 2.481 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCCCN2C(=O)[O-])N2CCCC2)c1 ZINC000739945394 602492929 /nfs/dbraw/zinc/49/29/29/602492929.db2.gz KIOBANIIQPTMJT-ROUUACIJSA-N -1 1 375.469 2.481 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739186027 602498963 /nfs/dbraw/zinc/49/89/63/602498963.db2.gz CPMADVYNSIWUTH-TXPKVOOTSA-N -1 1 389.496 2.445 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826203622 607573513 /nfs/dbraw/zinc/57/35/13/607573513.db2.gz XWCKMLMLUMDESY-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)Nc3cccc(CNC(=O)[O-])c3)cc2[nH]c1=S ZINC000740285042 602516956 /nfs/dbraw/zinc/51/69/56/602516956.db2.gz XRDPIGKTVAUZOB-UHFFFAOYSA-N -1 1 384.417 2.242 20 0 GEADMM CSCC[C@H](NC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000740012509 602524442 /nfs/dbraw/zinc/52/44/42/602524442.db2.gz GCYNHRSXQOJGRT-INIZCTEOSA-N -1 1 379.526 2.499 20 0 GEADMM CCCN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354813 602544091 /nfs/dbraw/zinc/54/40/91/602544091.db2.gz SLHYIYGUPQQOKO-PKOBYXMFSA-N -1 1 388.512 2.093 20 0 GEADMM CC(=O)c1cc(F)ccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000824010679 607574843 /nfs/dbraw/zinc/57/48/43/607574843.db2.gz PWXVJQVTHCWQBI-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM COc1cccc([C@H](CNC(=O)N(C)[C@H](C)CNC(=O)[O-])N2CCCC2)c1 ZINC000739946895 602612875 /nfs/dbraw/zinc/61/28/75/602612875.db2.gz YDYROXJXKJBOJN-PBHICJAKSA-N -1 1 378.473 2.130 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)[O-])c2C1 ZINC000738766023 602644049 /nfs/dbraw/zinc/64/40/49/602644049.db2.gz KLTPDQXVLGFXKX-ZIAGYGMSSA-N -1 1 390.484 2.100 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000739924960 602652672 /nfs/dbraw/zinc/65/26/72/602652672.db2.gz XDIILVGMYYNFTA-UHFFFAOYSA-N -1 1 378.362 2.256 20 0 GEADMM O=S(=O)(N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489349 607579175 /nfs/dbraw/zinc/57/91/75/607579175.db2.gz NBTDSRHBNMSIHC-GFCCVEGCSA-N -1 1 391.840 2.322 20 0 GEADMM O=S(=O)(N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489349 607579176 /nfs/dbraw/zinc/57/91/76/607579176.db2.gz NBTDSRHBNMSIHC-GFCCVEGCSA-N -1 1 391.840 2.322 20 0 GEADMM O=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492251 607579535 /nfs/dbraw/zinc/57/95/35/607579535.db2.gz ZQFADERGOYENAR-UHFFFAOYSA-N -1 1 399.354 2.086 20 0 GEADMM O=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492251 607579537 /nfs/dbraw/zinc/57/95/37/607579537.db2.gz ZQFADERGOYENAR-UHFFFAOYSA-N -1 1 399.354 2.086 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739458797 602695379 /nfs/dbraw/zinc/69/53/79/602695379.db2.gz XFZGJJMPPPAFNE-UHFFFAOYSA-N -1 1 389.481 2.305 20 0 GEADMM CCOCc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825604787 607583617 /nfs/dbraw/zinc/58/36/17/607583617.db2.gz KTZBYVFECUCRQV-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM CCOCc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825604787 607583619 /nfs/dbraw/zinc/58/36/19/607583619.db2.gz KTZBYVFECUCRQV-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)N2CCCC2)c1 ZINC000739946381 602754420 /nfs/dbraw/zinc/75/44/20/602754420.db2.gz UAOMUEMZFYRSLG-YJBOKZPZSA-N -1 1 390.484 2.226 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739851947 602763516 /nfs/dbraw/zinc/76/35/16/602763516.db2.gz OBOBPTYMDMAPOU-YCPHGPKFSA-N -1 1 393.484 2.167 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824158089 607584729 /nfs/dbraw/zinc/58/47/29/607584729.db2.gz QVGCMVNQKDZVBJ-UHFFFAOYSA-N -1 1 375.429 2.262 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824158089 607584730 /nfs/dbraw/zinc/58/47/30/607584730.db2.gz QVGCMVNQKDZVBJ-UHFFFAOYSA-N -1 1 375.429 2.262 20 0 GEADMM COCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826164517 607585669 /nfs/dbraw/zinc/58/56/69/607585669.db2.gz DQPYLFDDITXEDO-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM COCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826164517 607585671 /nfs/dbraw/zinc/58/56/71/607585671.db2.gz DQPYLFDDITXEDO-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827228628 602783558 /nfs/dbraw/zinc/78/35/58/602783558.db2.gz QIRKWHGJDZHKDN-KBPBESRZSA-N -1 1 380.464 2.191 20 0 GEADMM COc1ccc(CN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)C2CC2)cc1 ZINC000739904539 602789123 /nfs/dbraw/zinc/78/91/23/602789123.db2.gz QBBBBANHEWKINS-RDTXWAMCSA-N -1 1 375.469 2.164 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739498917 602795529 /nfs/dbraw/zinc/79/55/29/602795529.db2.gz VDJGYBCHXAXINC-YCPHGPKFSA-N -1 1 393.484 2.249 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000739929264 602797615 /nfs/dbraw/zinc/79/76/15/602797615.db2.gz CURWXJJBHVUBKN-XJIUQZFPSA-N -1 1 393.484 2.248 20 0 GEADMM C[C@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738977284 602834017 /nfs/dbraw/zinc/83/40/17/602834017.db2.gz JSBPITQKXWCRND-DZGCQCFKSA-N -1 1 380.464 2.465 20 0 GEADMM O=S(=O)(NCc1ccsc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826492084 607589663 /nfs/dbraw/zinc/58/96/63/607589663.db2.gz RSBFGGDLXHBHLO-UHFFFAOYSA-N -1 1 389.384 2.426 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CC2)cc1 ZINC000739906125 602851805 /nfs/dbraw/zinc/85/18/05/602851805.db2.gz KVKSFNWHDFHTHB-SFHVURJKSA-N -1 1 392.500 2.205 20 0 GEADMM C[C@H](COc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824448698 607591354 /nfs/dbraw/zinc/59/13/54/607591354.db2.gz KHVWRXSQOQDOAE-LLVKDONJSA-N -1 1 393.856 2.266 20 0 GEADMM C[C@H](COc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824448698 607591355 /nfs/dbraw/zinc/59/13/55/607591355.db2.gz KHVWRXSQOQDOAE-LLVKDONJSA-N -1 1 393.856 2.266 20 0 GEADMM C[C@H](CC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)NC(=O)[O-] ZINC000824645748 602881794 /nfs/dbraw/zinc/88/17/94/602881794.db2.gz BLVHIYVPABFYFN-CQSZACIVSA-N -1 1 382.892 2.015 20 0 GEADMM CCN(CCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825428121 607595170 /nfs/dbraw/zinc/59/51/70/607595170.db2.gz CAFZGTRKTNRCBU-UHFFFAOYSA-N -1 1 392.872 2.168 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2cccc(NC(=O)C3CC3)c2)c1-c1nn[n-]n1 ZINC000826304824 607590779 /nfs/dbraw/zinc/59/07/79/607590779.db2.gz ZXFCQIXSNWYJSO-UHFFFAOYSA-N -1 1 399.432 2.291 20 0 GEADMM Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826292255 607598874 /nfs/dbraw/zinc/59/88/74/607598874.db2.gz NEOFPEVJXOEGOY-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000739199907 603001746 /nfs/dbraw/zinc/00/17/46/603001746.db2.gz SXHQODSEDBLIDC-AEFFLSMTSA-N -1 1 389.500 2.220 20 0 GEADMM Cc1ccc([C@](O)(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C(F)(F)F)o1 ZINC000826284535 607599712 /nfs/dbraw/zinc/59/97/12/607599712.db2.gz WUJLXDLDZMOEQI-OAHLLOKOSA-N -1 1 397.313 2.047 20 0 GEADMM Cc1ccc([C@](O)(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C(F)(F)F)o1 ZINC000826284535 607599714 /nfs/dbraw/zinc/59/97/14/607599714.db2.gz WUJLXDLDZMOEQI-OAHLLOKOSA-N -1 1 397.313 2.047 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])N2CCCC2)cc1 ZINC000829310899 603009413 /nfs/dbraw/zinc/00/94/13/603009413.db2.gz KCMFRLARVUNHDQ-WMZOPIPTSA-N -1 1 390.484 2.274 20 0 GEADMM CCCN(C)CC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)[O-])CC1 ZINC000739352164 603022608 /nfs/dbraw/zinc/02/26/08/603022608.db2.gz UPTVZQLPZUASET-UHFFFAOYSA-N -1 1 377.441 2.266 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(CCc1ccccc1)C1CC1 ZINC000826495290 607601675 /nfs/dbraw/zinc/60/16/75/607601675.db2.gz JZDKYHKSDHHVBK-UHFFFAOYSA-N -1 1 387.440 2.402 20 0 GEADMM CC(C)(C)[C@@H]1CCCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000738674995 603050962 /nfs/dbraw/zinc/05/09/62/603050962.db2.gz IIPSHXCSSQHPIE-CQSZACIVSA-N -1 1 380.489 2.157 20 0 GEADMM CC(C)(C)n1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cn1 ZINC000738731834 603055477 /nfs/dbraw/zinc/05/54/77/603055477.db2.gz XVMNDZOPTPLCIL-UHFFFAOYSA-N -1 1 383.412 2.443 20 0 GEADMM CC(C)(C)n1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cn1 ZINC000738731834 603055482 /nfs/dbraw/zinc/05/54/82/603055482.db2.gz XVMNDZOPTPLCIL-UHFFFAOYSA-N -1 1 383.412 2.443 20 0 GEADMM CCCc1nnc([C@H]2CN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CCO2)[nH]1 ZINC000826955216 603079119 /nfs/dbraw/zinc/07/91/19/603079119.db2.gz YUGDBKDYWYWHER-CYBMUJFWSA-N -1 1 377.376 2.200 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CCO2)n1 ZINC000826955216 603079122 /nfs/dbraw/zinc/07/91/22/603079122.db2.gz YUGDBKDYWYWHER-CYBMUJFWSA-N -1 1 377.376 2.200 20 0 GEADMM CC(C)[C@](C)(CNC(=O)[O-])NCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000738774355 603080209 /nfs/dbraw/zinc/08/02/09/603080209.db2.gz WFFIPCIHISIMDU-HNNXBMFYSA-N -1 1 386.378 2.453 20 0 GEADMM CC(C)[C@@](C)(CNC(=O)[O-])NCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000738774357 603080689 /nfs/dbraw/zinc/08/06/89/603080689.db2.gz WFFIPCIHISIMDU-OAHLLOKOSA-N -1 1 386.378 2.453 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059525 607605434 /nfs/dbraw/zinc/60/54/34/607605434.db2.gz GJFMYKAKHBYKDK-RISCZKNCSA-N -1 1 390.444 2.244 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059525 607605436 /nfs/dbraw/zinc/60/54/36/607605436.db2.gz GJFMYKAKHBYKDK-RISCZKNCSA-N -1 1 390.444 2.244 20 0 GEADMM COc1ccccc1C(C)(C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826218571 607606872 /nfs/dbraw/zinc/60/68/72/607606872.db2.gz GRBGTWDAQNDDOC-UHFFFAOYSA-N -1 1 391.428 2.228 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC000826467467 607609587 /nfs/dbraw/zinc/60/95/87/607609587.db2.gz XOASFAMLHFOWJQ-GOSISDBHSA-N -1 1 378.436 2.360 20 0 GEADMM COc1cc(Cl)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826179710 607611666 /nfs/dbraw/zinc/61/16/66/607611666.db2.gz APCRJQIYHONSPS-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1cc(Cl)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826179710 607611668 /nfs/dbraw/zinc/61/16/68/607611668.db2.gz APCRJQIYHONSPS-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM O=S(=O)(NCCCc1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491001 607612457 /nfs/dbraw/zinc/61/24/57/607612457.db2.gz PVUGDQYPOMICQM-UHFFFAOYSA-N -1 1 379.392 2.056 20 0 GEADMM O=S(=O)(NCCCc1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491001 607612458 /nfs/dbraw/zinc/61/24/58/607612458.db2.gz PVUGDQYPOMICQM-UHFFFAOYSA-N -1 1 379.392 2.056 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000826467042 607612489 /nfs/dbraw/zinc/61/24/89/607612489.db2.gz DTIUGYXLLUNFCU-QGZVFWFLSA-N -1 1 382.399 2.109 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000826467042 607612490 /nfs/dbraw/zinc/61/24/90/607612490.db2.gz DTIUGYXLLUNFCU-QGZVFWFLSA-N -1 1 382.399 2.109 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740079930 603185080 /nfs/dbraw/zinc/18/50/80/603185080.db2.gz MLVHSDHLEFXGRY-CRAIPNDOSA-N -1 1 389.500 2.257 20 0 GEADMM CC(C)COc1cccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000824271540 607613179 /nfs/dbraw/zinc/61/31/79/607613179.db2.gz OJYMEVUNUSIVCK-UHFFFAOYSA-N -1 1 383.408 2.419 20 0 GEADMM CC(C)COc1cccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000824271540 607613180 /nfs/dbraw/zinc/61/31/80/607613180.db2.gz OJYMEVUNUSIVCK-UHFFFAOYSA-N -1 1 383.408 2.419 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739893829 603204152 /nfs/dbraw/zinc/20/41/52/603204152.db2.gz CFFTUPCGJQMVSP-FUHWJXTLSA-N -1 1 375.469 2.338 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487943 607617562 /nfs/dbraw/zinc/61/75/62/607617562.db2.gz DZCNVSAEZTZRMH-ZANVPECISA-N -1 1 395.366 2.118 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])N1CCN(C)CC1 ZINC000738783102 603334800 /nfs/dbraw/zinc/33/48/00/603334800.db2.gz KOZRQBBIJFXRDC-GOSISDBHSA-N -1 1 391.516 2.190 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000738823008 603362983 /nfs/dbraw/zinc/36/29/83/603362983.db2.gz DGESLIFQSSGVED-QGZVFWFLSA-N -1 1 378.473 2.275 20 0 GEADMM CCN(CC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1)C(=O)[O-] ZINC000739382107 603388026 /nfs/dbraw/zinc/38/80/26/603388026.db2.gz HCNYIOUHAMPUNQ-UHFFFAOYSA-N -1 1 392.500 2.130 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c[nH]1 ZINC000828761123 603398201 /nfs/dbraw/zinc/39/82/01/603398201.db2.gz OSRIMOSYNLPXLD-UHFFFAOYSA-N -1 1 379.394 2.033 20 0 GEADMM C[C@H](O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000824706908 607627860 /nfs/dbraw/zinc/62/78/60/607627860.db2.gz LRJMZBDZWGKWMA-JTQLQIEISA-N -1 1 393.856 2.052 20 0 GEADMM CC(C)(CNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)NC(=O)[O-] ZINC000823917957 603455486 /nfs/dbraw/zinc/45/54/86/603455486.db2.gz PMKWQIYYSXFOFX-UHFFFAOYSA-N -1 1 386.456 2.407 20 0 GEADMM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000831552085 603482334 /nfs/dbraw/zinc/48/23/34/603482334.db2.gz CUFQCDPPCMSWIN-JTQLQIEISA-N -1 1 388.540 2.300 20 0 GEADMM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000831552087 603482343 /nfs/dbraw/zinc/48/23/43/603482343.db2.gz CUFQCDPPCMSWIN-SNVBAGLBSA-N -1 1 388.540 2.300 20 0 GEADMM CC(C)Nc1ncnc2c1ncn2CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000824389137 603493401 /nfs/dbraw/zinc/49/34/01/603493401.db2.gz SPBPQDYBJVZNHD-UHFFFAOYSA-N -1 1 387.488 2.459 20 0 GEADMM CCN(CC1CCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000827089662 603511938 /nfs/dbraw/zinc/51/19/38/603511938.db2.gz PEPXRUOHJQGNIZ-CQSZACIVSA-N -1 1 376.457 2.435 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H](N(C)C(=O)[O-])C3)n[nH]2)cc1OC ZINC000829234902 603532149 /nfs/dbraw/zinc/53/21/49/603532149.db2.gz VBARJVYSPOZLEG-ZDUSSCGKSA-N -1 1 388.424 2.308 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n[nH]2)cc1OC ZINC000829234987 603535743 /nfs/dbraw/zinc/53/57/43/603535743.db2.gz XMFLCHKRTCQOBH-LBPRGKRZSA-N -1 1 388.424 2.166 20 0 GEADMM CC(C)NS(=O)(=O)c1cccc(CNCc2ccc(NC(=O)[O-])nc2)c1 ZINC000824382484 603540263 /nfs/dbraw/zinc/54/02/63/603540263.db2.gz QSHXRJJYECOCTG-UHFFFAOYSA-N -1 1 378.454 2.148 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)n[nH]2)cc1OC ZINC000829234791 603542077 /nfs/dbraw/zinc/54/20/77/603542077.db2.gz UVFNXBFKYMMSCH-AAEUAGOBSA-N -1 1 388.424 2.212 20 0 GEADMM CCN(CC1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1)C(=O)[O-] ZINC000827094299 603543717 /nfs/dbraw/zinc/54/37/17/603543717.db2.gz YTEFNHJJSALGAI-AWEZNQCLSA-N -1 1 379.423 2.499 20 0 GEADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(S(=O)(=O)N(C)C)c1 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/nfs/dbraw/zinc/38/52/04/605385204.db2.gz KLWUVQFPLASEGN-SECBINFHSA-N -1 1 379.594 2.125 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826472249 607752433 /nfs/dbraw/zinc/75/24/33/607752433.db2.gz DMXWVFATSVDBMN-GDBMZVCRSA-N -1 1 382.424 2.363 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826472249 607752434 /nfs/dbraw/zinc/75/24/34/607752434.db2.gz DMXWVFATSVDBMN-GDBMZVCRSA-N -1 1 382.424 2.363 20 0 GEADMM CC(=O)NC1CCC(N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000833395046 605431215 /nfs/dbraw/zinc/43/12/15/605431215.db2.gz ATUHLEUPTMMBLD-UHFFFAOYSA-N -1 1 393.509 2.253 20 0 GEADMM CC(C)c1ncncc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000824496596 605437027 /nfs/dbraw/zinc/43/70/27/605437027.db2.gz XUMSPDDODWWNJP-UHFFFAOYSA-N -1 1 381.396 2.405 20 0 GEADMM CC(C)c1ncncc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000824496596 605437033 /nfs/dbraw/zinc/43/70/33/605437033.db2.gz XUMSPDDODWWNJP-UHFFFAOYSA-N -1 1 381.396 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COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)n[nH]2)cc1OC ZINC000829234593 605772189 /nfs/dbraw/zinc/77/21/89/605772189.db2.gz QNKATLMNWIVMKK-WCQYABFASA-N -1 1 388.424 2.355 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)n[nH]2)cc1OC ZINC000829234594 605772200 /nfs/dbraw/zinc/77/22/00/605772200.db2.gz QNKATLMNWIVMKK-YPMHNXCESA-N -1 1 388.424 2.355 20 0 GEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000833831018 605880731 /nfs/dbraw/zinc/88/07/31/605880731.db2.gz MDYVLXSRKZJBNA-GXTWGEPZSA-N -1 1 385.411 2.224 20 0 GEADMM O=C([O-])N1CCC2(CCN(CC(=O)NCCc3c(F)cccc3F)C2)CC1 ZINC000834008044 605900800 /nfs/dbraw/zinc/90/08/00/605900800.db2.gz QYZHRPNHWNCNOW-UHFFFAOYSA-N -1 1 381.423 2.089 20 0 GEADMM N=C(NOCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1COCCN1C(=O)[O-] ZINC000833982085 605924843 /nfs/dbraw/zinc/92/48/43/605924843.db2.gz XBNCQRFSPNICGH-GFCCVEGCSA-N -1 1 380.788 2.372 20 0 GEADMM N=C(NOCc1csc(-c2ccc(F)cc2)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833981706 605924848 /nfs/dbraw/zinc/92/48/48/605924848.db2.gz VMTAIRMYQVLJFB-CYBMUJFWSA-N -1 1 380.401 2.326 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@H]1NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000834172510 605985859 /nfs/dbraw/zinc/98/58/59/605985859.db2.gz BGNOUBYSIFCFTH-CVEARBPZSA-N -1 1 381.498 2.140 20 0 GEADMM COC(=O)c1ccoc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000821671208 606021044 /nfs/dbraw/zinc/02/10/44/606021044.db2.gz MTSSXBJPFXGMRY-UHFFFAOYSA-N -1 1 385.767 2.263 20 0 GEADMM O=C(CCOC1CN(C(=O)[O-])C1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000833993454 606085565 /nfs/dbraw/zinc/08/55/65/606085565.db2.gz RMNKBYMNTVWBOK-UHFFFAOYSA-N -1 1 381.392 2.332 20 0 GEADMM Fc1ccc(F)c(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)c1 ZINC000822774801 606109193 /nfs/dbraw/zinc/10/91/93/606109193.db2.gz OQXRJENKSAYVMB-UHFFFAOYSA-N -1 1 394.389 2.415 20 0 GEADMM Fc1ccc(F)c(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)c1 ZINC000822774801 606109194 /nfs/dbraw/zinc/10/91/94/606109194.db2.gz OQXRJENKSAYVMB-UHFFFAOYSA-N -1 1 394.389 2.415 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000820513411 606131880 /nfs/dbraw/zinc/13/18/80/606131880.db2.gz ZGRWDEHUKNVHJG-NOOOWODRSA-N -1 1 377.470 2.414 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000820513411 606131881 /nfs/dbraw/zinc/13/18/81/606131881.db2.gz ZGRWDEHUKNVHJG-NOOOWODRSA-N -1 1 377.470 2.414 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000823027624 606133007 /nfs/dbraw/zinc/13/30/07/606133007.db2.gz YQEBAIGHHKZWRB-UHFFFAOYSA-N -1 1 397.416 2.095 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000823027624 606133009 /nfs/dbraw/zinc/13/30/09/606133009.db2.gz YQEBAIGHHKZWRB-UHFFFAOYSA-N -1 1 397.416 2.095 20 0 GEADMM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821891233 606159092 /nfs/dbraw/zinc/15/90/92/606159092.db2.gz XQQWQTWTAHIJEL-CQSZACIVSA-N -1 1 382.428 2.368 20 0 GEADMM COc1ccccc1[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821891233 606159093 /nfs/dbraw/zinc/15/90/93/606159093.db2.gz XQQWQTWTAHIJEL-CQSZACIVSA-N -1 1 382.428 2.368 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(CCc3ccccc3)CC2)n1 ZINC000822609059 606162734 /nfs/dbraw/zinc/16/27/34/606162734.db2.gz IPQMFWNJOYDZJW-UHFFFAOYSA-N -1 1 380.456 2.477 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(CCc3ccccc3)CC2)n1 ZINC000822609059 606162736 /nfs/dbraw/zinc/16/27/36/606162736.db2.gz IPQMFWNJOYDZJW-UHFFFAOYSA-N -1 1 380.456 2.477 20 0 GEADMM CC(C)N(C)S(=O)(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820111640 606162804 /nfs/dbraw/zinc/16/28/04/606162804.db2.gz DRZXULTYAYRUSR-UHFFFAOYSA-N -1 1 389.441 2.051 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2cccc(Cl)c2Cl)n1 ZINC000822620585 606163071 /nfs/dbraw/zinc/16/30/71/606163071.db2.gz XRWLVYOYEFWSJU-UHFFFAOYSA-N -1 1 397.226 2.108 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2cccc(Cl)c2Cl)n1 ZINC000822620585 606163073 /nfs/dbraw/zinc/16/30/73/606163073.db2.gz XRWLVYOYEFWSJU-UHFFFAOYSA-N -1 1 397.226 2.108 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)n1 ZINC000822619595 606164566 /nfs/dbraw/zinc/16/45/66/606164566.db2.gz BEFHYWKPZKXTKC-UHFFFAOYSA-N -1 1 398.427 2.050 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)n1 ZINC000822619595 606164567 /nfs/dbraw/zinc/16/45/67/606164567.db2.gz BEFHYWKPZKXTKC-UHFFFAOYSA-N -1 1 398.427 2.050 20 0 GEADMM O=C(OCC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823401354 606179401 /nfs/dbraw/zinc/17/94/01/606179401.db2.gz UKDJJTONKBFFPT-UHFFFAOYSA-N -1 1 375.376 2.359 20 0 GEADMM O=C(OCC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823401354 606179402 /nfs/dbraw/zinc/17/94/02/606179402.db2.gz UKDJJTONKBFFPT-UHFFFAOYSA-N -1 1 375.376 2.359 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000822151393 606180772 /nfs/dbraw/zinc/18/07/72/606180772.db2.gz BAINWMLTAJEEKH-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000820667726 606195424 /nfs/dbraw/zinc/19/54/24/606195424.db2.gz NRTZOGNBKWBCPT-HZMBPMFUSA-N -1 1 378.392 2.419 20 0 GEADMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000820669162 606196613 /nfs/dbraw/zinc/19/66/13/606196613.db2.gz ZFRIFRLJOZNYGN-YGRLFVJLSA-N -1 1 378.392 2.419 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCSC2(CCCCC2)C1 ZINC000823607078 606202925 /nfs/dbraw/zinc/20/29/25/606202925.db2.gz PWHQXCAHDVKZAX-UHFFFAOYSA-N -1 1 397.501 2.446 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCSC2(CCCCC2)C1 ZINC000823607078 606202927 /nfs/dbraw/zinc/20/29/27/606202927.db2.gz PWHQXCAHDVKZAX-UHFFFAOYSA-N -1 1 397.501 2.446 20 0 GEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1OC ZINC000821786651 606236846 /nfs/dbraw/zinc/23/68/46/606236846.db2.gz HHOVNNBMKYPMHD-SOFGYWHQSA-N -1 1 386.437 2.325 20 0 GEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1OC ZINC000821786651 606236847 /nfs/dbraw/zinc/23/68/47/606236847.db2.gz HHOVNNBMKYPMHD-SOFGYWHQSA-N -1 1 386.437 2.325 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000823294922 606293727 /nfs/dbraw/zinc/29/37/27/606293727.db2.gz XUXYLEQXUAKZMC-UHFFFAOYSA-N -1 1 392.350 2.115 20 0 GEADMM COCCOCc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1F ZINC000821692755 606296744 /nfs/dbraw/zinc/29/67/44/606296744.db2.gz AOUITFHOGJLWEZ-UHFFFAOYSA-N -1 1 387.371 2.127 20 0 GEADMM COc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1OC ZINC000821782822 606392377 /nfs/dbraw/zinc/39/23/77/606392377.db2.gz OXZKONSKIOISSA-FLIBITNWSA-N -1 1 383.389 2.290 20 0 GEADMM CCCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000821065770 606393694 /nfs/dbraw/zinc/39/36/94/606393694.db2.gz MQCRVBOVFFNFTI-ZDUSSCGKSA-N -1 1 376.442 2.242 20 0 GEADMM C[C@@H]1CCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000820711241 606436373 /nfs/dbraw/zinc/43/63/73/606436373.db2.gz VPQVRGCEZSZZMQ-GFCCVEGCSA-N -1 1 397.439 2.342 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000823478260 606450077 /nfs/dbraw/zinc/45/00/77/606450077.db2.gz IEBHWLREQISJBM-KRWDZBQOSA-N -1 1 378.436 2.126 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000823478260 606450079 /nfs/dbraw/zinc/45/00/79/606450079.db2.gz IEBHWLREQISJBM-KRWDZBQOSA-N -1 1 378.436 2.126 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823606545 606474639 /nfs/dbraw/zinc/47/46/39/606474639.db2.gz KSKHYMRZXSTNSH-VXGBXAGGSA-N -1 1 383.474 2.055 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823606545 606474641 /nfs/dbraw/zinc/47/46/41/606474641.db2.gz KSKHYMRZXSTNSH-VXGBXAGGSA-N -1 1 383.474 2.055 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819939527 606528631 /nfs/dbraw/zinc/52/86/31/606528631.db2.gz FNZOKPUIVLLWKA-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819939527 606528633 /nfs/dbraw/zinc/52/86/33/606528633.db2.gz FNZOKPUIVLLWKA-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819939526 606528936 /nfs/dbraw/zinc/52/89/36/606528936.db2.gz FNZOKPUIVLLWKA-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819939526 606528937 /nfs/dbraw/zinc/52/89/37/606528937.db2.gz FNZOKPUIVLLWKA-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM CSCC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821956095 606535087 /nfs/dbraw/zinc/53/50/87/606535087.db2.gz HEHUUAOLGUECKD-UHFFFAOYSA-N -1 1 375.435 2.449 20 0 GEADMM CSCC(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821956095 606535089 /nfs/dbraw/zinc/53/50/89/606535089.db2.gz HEHUUAOLGUECKD-UHFFFAOYSA-N -1 1 375.435 2.449 20 0 GEADMM O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823149807 606538806 /nfs/dbraw/zinc/53/88/06/606538806.db2.gz HDCYXQCIVAGJJH-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823149807 606538808 /nfs/dbraw/zinc/53/88/08/606538808.db2.gz HDCYXQCIVAGJJH-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000822324118 606545904 /nfs/dbraw/zinc/54/59/04/606545904.db2.gz VYQCYCMIWNMMLF-UHFFFAOYSA-N -1 1 397.464 2.227 20 0 GEADMM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000822324118 606545906 /nfs/dbraw/zinc/54/59/06/606545906.db2.gz VYQCYCMIWNMMLF-UHFFFAOYSA-N -1 1 397.464 2.227 20 0 GEADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819939815 606556233 /nfs/dbraw/zinc/55/62/33/606556233.db2.gz KIEDTEDMBAVNDW-KRWDZBQOSA-N -1 1 392.485 2.351 20 0 GEADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819939815 606556235 /nfs/dbraw/zinc/55/62/35/606556235.db2.gz KIEDTEDMBAVNDW-KRWDZBQOSA-N -1 1 392.485 2.351 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000820741427 606562157 /nfs/dbraw/zinc/56/21/57/606562157.db2.gz DBKODCHSNCTICW-PHIMTYICSA-N -1 1 392.485 2.398 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000820741427 606562158 /nfs/dbraw/zinc/56/21/58/606562158.db2.gz DBKODCHSNCTICW-PHIMTYICSA-N -1 1 392.485 2.398 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000823482937 606568730 /nfs/dbraw/zinc/56/87/30/606568730.db2.gz CSJMDLAWNNEASO-UHFFFAOYSA-N -1 1 381.421 2.032 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000823482937 606568733 /nfs/dbraw/zinc/56/87/33/606568733.db2.gz CSJMDLAWNNEASO-UHFFFAOYSA-N -1 1 381.421 2.032 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000823483617 606572148 /nfs/dbraw/zinc/57/21/48/606572148.db2.gz KENPNVSNWVOAPA-UHFFFAOYSA-N -1 1 391.460 2.439 20 0 GEADMM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823223546 606576790 /nfs/dbraw/zinc/57/67/90/606576790.db2.gz CMEDGNQWAVRIJM-UHFFFAOYSA-N -1 1 383.412 2.226 20 0 GEADMM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823223546 606576791 /nfs/dbraw/zinc/57/67/91/606576791.db2.gz CMEDGNQWAVRIJM-UHFFFAOYSA-N -1 1 383.412 2.226 20 0 GEADMM Cn1ccnc1C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822698785 606577541 /nfs/dbraw/zinc/57/75/41/606577541.db2.gz FGXXMYNIFYIZNQ-CYBMUJFWSA-N -1 1 379.449 2.376 20 0 GEADMM CCN(C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1)CC(F)(F)F ZINC000821197403 606582263 /nfs/dbraw/zinc/58/22/63/606582263.db2.gz KHVGUWJJQQMCKW-SNVBAGLBSA-N -1 1 388.419 2.275 20 0 GEADMM CCN(C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1)CC(F)(F)F ZINC000821197403 606582268 /nfs/dbraw/zinc/58/22/68/606582268.db2.gz KHVGUWJJQQMCKW-SNVBAGLBSA-N -1 1 388.419 2.275 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000823478254 606582961 /nfs/dbraw/zinc/58/29/61/606582961.db2.gz ICHJMFUTMCYICV-KRWDZBQOSA-N -1 1 390.403 2.231 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000823478254 606582963 /nfs/dbraw/zinc/58/29/63/606582963.db2.gz ICHJMFUTMCYICV-KRWDZBQOSA-N -1 1 390.403 2.231 20 0 GEADMM O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823167144 606593912 /nfs/dbraw/zinc/59/39/12/606593912.db2.gz XWZLBSUSYCKQPH-SNVBAGLBSA-N -1 1 383.355 2.410 20 0 GEADMM O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823167144 606593913 /nfs/dbraw/zinc/59/39/13/606593913.db2.gz XWZLBSUSYCKQPH-SNVBAGLBSA-N -1 1 383.355 2.410 20 0 GEADMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)s1 ZINC000446013415 649967424 /nfs/dbraw/zinc/96/74/24/649967424.db2.gz WWXQQOSPESXZQL-UHFFFAOYSA-N -1 1 398.857 2.205 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000820379982 606595582 /nfs/dbraw/zinc/59/55/82/606595582.db2.gz JMTJJGLXAQQIFP-MRVPVSSYSA-N -1 1 391.233 2.245 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000820379982 606595584 /nfs/dbraw/zinc/59/55/84/606595584.db2.gz JMTJJGLXAQQIFP-MRVPVSSYSA-N -1 1 391.233 2.245 20 0 GEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1S(=O)(=O)CC ZINC000821160275 606646532 /nfs/dbraw/zinc/64/65/32/606646532.db2.gz ILCJRDFKDDEBEE-UHFFFAOYSA-N -1 1 391.478 2.389 20 0 GEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1S(=O)(=O)CC ZINC000821160275 606646533 /nfs/dbraw/zinc/64/65/33/606646533.db2.gz ILCJRDFKDDEBEE-UHFFFAOYSA-N -1 1 391.478 2.389 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccccc1C ZINC000822345615 606648263 /nfs/dbraw/zinc/64/82/63/606648263.db2.gz MRLRRGIKSQBWOV-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccccc1C ZINC000822345615 606648264 /nfs/dbraw/zinc/64/82/64/606648264.db2.gz MRLRRGIKSQBWOV-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Br ZINC000821773049 606648761 /nfs/dbraw/zinc/64/87/61/606648761.db2.gz YAWPPMKESJYIPS-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1Br ZINC000821773049 606648762 /nfs/dbraw/zinc/64/87/62/606648762.db2.gz YAWPPMKESJYIPS-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM C/C=C\c1ccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000820831778 606649417 /nfs/dbraw/zinc/64/94/17/606649417.db2.gz COUMNMHKOBALKE-ARJAWSKDSA-N -1 1 381.392 2.426 20 0 GEADMM C/C=C\c1ccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000820831778 606649418 /nfs/dbraw/zinc/64/94/18/606649418.db2.gz COUMNMHKOBALKE-ARJAWSKDSA-N -1 1 381.392 2.426 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820860566 606650281 /nfs/dbraw/zinc/65/02/81/606650281.db2.gz KAMOOEOYGZDFFG-SUMWQHHRSA-N -1 1 394.435 2.150 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820860566 606650282 /nfs/dbraw/zinc/65/02/82/606650282.db2.gz KAMOOEOYGZDFFG-SUMWQHHRSA-N -1 1 394.435 2.150 20 0 GEADMM COc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000821859819 606650284 /nfs/dbraw/zinc/65/02/84/606650284.db2.gz SXTOPYBUGYCJMU-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000821859819 606650285 /nfs/dbraw/zinc/65/02/85/606650285.db2.gz SXTOPYBUGYCJMU-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820668563 606650377 /nfs/dbraw/zinc/65/03/77/606650377.db2.gz UVZXONFOMLNRJE-XHDPSFHLSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820668563 606650378 /nfs/dbraw/zinc/65/03/78/606650378.db2.gz UVZXONFOMLNRJE-XHDPSFHLSA-N -1 1 378.392 2.213 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccc(C)cc1 ZINC000822225119 606651325 /nfs/dbraw/zinc/65/13/25/606651325.db2.gz PFVHHIQUEVDPMC-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccc(C)cc1 ZINC000822225119 606651326 /nfs/dbraw/zinc/65/13/26/606651326.db2.gz PFVHHIQUEVDPMC-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM CCOc1cccc2c1OCC(C(=O)OCc1ccnc(-c3nnn[n-]3)c1)=C2 ZINC000821431262 606651795 /nfs/dbraw/zinc/65/17/95/606651795.db2.gz NXKNAGLIMJZZFY-UHFFFAOYSA-N -1 1 379.376 2.180 20 0 GEADMM CCOc1cccc2c1OCC(C(=O)OCc1ccnc(-c3nn[n-]n3)c1)=C2 ZINC000821431262 606651796 /nfs/dbraw/zinc/65/17/96/606651796.db2.gz NXKNAGLIMJZZFY-UHFFFAOYSA-N -1 1 379.376 2.180 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000823436414 606652526 /nfs/dbraw/zinc/65/25/26/606652526.db2.gz UWTYUUFSZAILIY-UHFFFAOYSA-N -1 1 398.386 2.328 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000823436414 606652527 /nfs/dbraw/zinc/65/25/27/606652527.db2.gz UWTYUUFSZAILIY-UHFFFAOYSA-N -1 1 398.386 2.328 20 0 GEADMM Cc1ccccc1C(=O)N[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC000822344837 606652868 /nfs/dbraw/zinc/65/28/68/606652868.db2.gz BBJGDPKAXOZYQZ-QGZVFWFLSA-N -1 1 394.435 2.068 20 0 GEADMM Cc1ccccc1C(=O)N[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC000822344837 606652869 /nfs/dbraw/zinc/65/28/69/606652869.db2.gz BBJGDPKAXOZYQZ-QGZVFWFLSA-N -1 1 394.435 2.068 20 0 GEADMM COC(=O)c1ccc(F)c([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821669680 606668746 /nfs/dbraw/zinc/66/87/46/606668746.db2.gz XNZMAULMZIZILK-UHFFFAOYSA-N -1 1 377.282 2.323 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CSCCS1 ZINC000822541781 606690060 /nfs/dbraw/zinc/69/00/60/606690060.db2.gz QJSKQSGEXALLTF-LLVKDONJSA-N -1 1 390.494 2.137 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CSCCS1 ZINC000822541781 606690061 /nfs/dbraw/zinc/69/00/61/606690061.db2.gz QJSKQSGEXALLTF-LLVKDONJSA-N -1 1 390.494 2.137 20 0 GEADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821456565 606697895 /nfs/dbraw/zinc/69/78/95/606697895.db2.gz PYKPPNKMCCLODY-QWRGUYRKSA-N -1 1 380.499 2.093 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@](C)(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000821971264 606698000 /nfs/dbraw/zinc/69/80/00/606698000.db2.gz ZWTHHCXVQBGCFJ-IBGZPJMESA-N -1 1 396.476 2.493 20 0 GEADMM CCOc1ccc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)nc1 ZINC000821422042 606751211 /nfs/dbraw/zinc/75/12/11/606751211.db2.gz KOUGUHGKMIMKAS-UHFFFAOYSA-N -1 1 398.423 2.054 20 0 GEADMM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1sccc1-c1nn[n-]n1 ZINC000823392708 606753113 /nfs/dbraw/zinc/75/31/13/606753113.db2.gz RYEOTBJZINTGCK-NSHDSACASA-N -1 1 391.359 2.169 20 0 GEADMM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1sccc1-c1nn[n-]n1 ZINC000823392705 606753167 /nfs/dbraw/zinc/75/31/67/606753167.db2.gz RYEOTBJZINTGCK-LLVKDONJSA-N -1 1 391.359 2.169 20 0 GEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820733040 606805163 /nfs/dbraw/zinc/80/51/63/606805163.db2.gz CIBGNLRQZMPYGW-IUODEOHRSA-N -1 1 377.452 2.474 20 0 GEADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820733040 606805165 /nfs/dbraw/zinc/80/51/65/606805165.db2.gz CIBGNLRQZMPYGW-IUODEOHRSA-N -1 1 377.452 2.474 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(CC(C)C)CC1 ZINC000822459870 606811959 /nfs/dbraw/zinc/81/19/59/606811959.db2.gz ZOSPMMBTYVNTML-UHFFFAOYSA-N -1 1 396.499 2.401 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(CC(C)C)CC1 ZINC000822459870 606811960 /nfs/dbraw/zinc/81/19/60/606811960.db2.gz ZOSPMMBTYVNTML-UHFFFAOYSA-N -1 1 396.499 2.401 20 0 GEADMM CC(C)(C)C[C@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1 ZINC000819907766 606823298 /nfs/dbraw/zinc/82/32/98/606823298.db2.gz RQUAJAJQOQYGHE-INIZCTEOSA-N -1 1 398.442 2.461 20 0 GEADMM CC(C)CCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820072659 606824390 /nfs/dbraw/zinc/82/43/90/606824390.db2.gz JUKPKUOULGGQTC-OAHLLOKOSA-N -1 1 386.504 2.300 20 0 GEADMM CC(C)CCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820072659 606824392 /nfs/dbraw/zinc/82/43/92/606824392.db2.gz JUKPKUOULGGQTC-OAHLLOKOSA-N -1 1 386.504 2.300 20 0 GEADMM CC[C@H]1CCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820972339 606827853 /nfs/dbraw/zinc/82/78/53/606827853.db2.gz NGIKHEXBODEVCV-XJKSGUPXSA-N -1 1 382.472 2.154 20 0 GEADMM CC[C@H]1CCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820972339 606827855 /nfs/dbraw/zinc/82/78/55/606827855.db2.gz NGIKHEXBODEVCV-XJKSGUPXSA-N -1 1 382.472 2.154 20 0 GEADMM CC[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820972337 606828139 /nfs/dbraw/zinc/82/81/39/606828139.db2.gz NGIKHEXBODEVCV-CJNGLKHVSA-N -1 1 382.472 2.154 20 0 GEADMM CC[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820972337 606828140 /nfs/dbraw/zinc/82/81/40/606828140.db2.gz NGIKHEXBODEVCV-CJNGLKHVSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000822248676 606832276 /nfs/dbraw/zinc/83/22/76/606832276.db2.gz IEZJCYUJAUDXHZ-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000822248676 606832278 /nfs/dbraw/zinc/83/22/78/606832278.db2.gz IEZJCYUJAUDXHZ-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821447362 606845227 /nfs/dbraw/zinc/84/52/27/606845227.db2.gz JJBRQCDWDYGWKR-VXGBXAGGSA-N -1 1 385.490 2.301 20 0 GEADMM CCOc1cc(C)ccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821393824 606846243 /nfs/dbraw/zinc/84/62/43/606846243.db2.gz CGVNUDWJVUQCHV-UHFFFAOYSA-N -1 1 391.428 2.191 20 0 GEADMM CC(C)c1ccsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820197127 606854520 /nfs/dbraw/zinc/85/45/20/606854520.db2.gz GTUPBJWDRUTVFE-GFCCVEGCSA-N -1 1 398.496 2.193 20 0 GEADMM CC(C)c1ccsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820197127 606854522 /nfs/dbraw/zinc/85/45/22/606854522.db2.gz GTUPBJWDRUTVFE-GFCCVEGCSA-N -1 1 398.496 2.193 20 0 GEADMM CCOc1cccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821430854 606886557 /nfs/dbraw/zinc/88/65/57/606886557.db2.gz GPNANUHZPYUUSM-UHFFFAOYSA-N -1 1 395.391 2.022 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccs1 ZINC000819992275 606891692 /nfs/dbraw/zinc/89/16/92/606891692.db2.gz UIMYWCXXGBWNDY-UHFFFAOYSA-N -1 1 385.421 2.420 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CNc1ccccc1 ZINC000822005086 606916277 /nfs/dbraw/zinc/91/62/77/606916277.db2.gz OEVVOTZTYKPNOH-GFCCVEGCSA-N -1 1 395.467 2.134 20 0 GEADMM CC=C(C=CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)CC ZINC000820825867 606995318 /nfs/dbraw/zinc/99/53/18/606995318.db2.gz GCQANMVVAVXUEE-OZIKREMFSA-N -1 1 383.456 2.293 20 0 GEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000822299856 607006361 /nfs/dbraw/zinc/00/63/61/607006361.db2.gz XDSMAMVMOSKSBP-AWEZNQCLSA-N -1 1 388.428 2.235 20 0 GEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000822299856 607006363 /nfs/dbraw/zinc/00/63/63/607006363.db2.gz XDSMAMVMOSKSBP-AWEZNQCLSA-N -1 1 388.428 2.235 20 0 GEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000822299857 607006379 /nfs/dbraw/zinc/00/63/79/607006379.db2.gz XDSMAMVMOSKSBP-CQSZACIVSA-N -1 1 388.428 2.235 20 0 GEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000822299857 607006380 /nfs/dbraw/zinc/00/63/80/607006380.db2.gz XDSMAMVMOSKSBP-CQSZACIVSA-N -1 1 388.428 2.235 20 0 GEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822299750 607006415 /nfs/dbraw/zinc/00/64/15/607006415.db2.gz UDZAQVBKKDUJRK-OAHLLOKOSA-N -1 1 388.428 2.235 20 0 GEADMM CSCc1nc2ccccc2n1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821969986 607024440 /nfs/dbraw/zinc/02/44/40/607024440.db2.gz IBSZVXRGLNWBKK-UHFFFAOYSA-N -1 1 386.466 2.175 20 0 GEADMM CSCc1nc2ccccc2n1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821969986 607024441 /nfs/dbraw/zinc/02/44/41/607024441.db2.gz IBSZVXRGLNWBKK-UHFFFAOYSA-N -1 1 386.466 2.175 20 0 GEADMM Cc1[nH]c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)c1C(=O)OC(C)C ZINC000822009630 607103427 /nfs/dbraw/zinc/10/34/27/607103427.db2.gz ADWQCKCETJSKOX-UHFFFAOYSA-N -1 1 375.414 2.086 20 0 GEADMM Cc1[nH]c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)c1C(=O)OC(C)C ZINC000822009630 607103429 /nfs/dbraw/zinc/10/34/29/607103429.db2.gz ADWQCKCETJSKOX-UHFFFAOYSA-N -1 1 375.414 2.086 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000823383202 607104256 /nfs/dbraw/zinc/10/42/56/607104256.db2.gz NJPAFFXRPLZDQZ-UHFFFAOYSA-N -1 1 399.417 2.428 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000823383202 607104257 /nfs/dbraw/zinc/10/42/57/607104257.db2.gz NJPAFFXRPLZDQZ-UHFFFAOYSA-N -1 1 399.417 2.428 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000823379734 607109053 /nfs/dbraw/zinc/10/90/53/607109053.db2.gz GNEMODRQSLZULT-UHFFFAOYSA-N -1 1 397.464 2.382 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000823379734 607109054 /nfs/dbraw/zinc/10/90/54/607109054.db2.gz GNEMODRQSLZULT-UHFFFAOYSA-N -1 1 397.464 2.382 20 0 GEADMM C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820299189 607128604 /nfs/dbraw/zinc/12/86/04/607128604.db2.gz DGKRJCJCMSJFMF-JTQLQIEISA-N -1 1 387.241 2.385 20 0 GEADMM C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820299189 607128605 /nfs/dbraw/zinc/12/86/05/607128605.db2.gz DGKRJCJCMSJFMF-JTQLQIEISA-N -1 1 387.241 2.385 20 0 GEADMM CCCC1(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000821033623 607137647 /nfs/dbraw/zinc/13/76/47/607137647.db2.gz CPJMKLWGPLNMJC-UHFFFAOYSA-N -1 1 382.472 2.155 20 0 GEADMM CCCC1(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000821033623 607137648 /nfs/dbraw/zinc/13/76/48/607137648.db2.gz CPJMKLWGPLNMJC-UHFFFAOYSA-N -1 1 382.472 2.155 20 0 GEADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821614626 607140866 /nfs/dbraw/zinc/14/08/66/607140866.db2.gz NSGJXEIEEQSQAU-UHFFFAOYSA-N -1 1 378.314 2.433 20 0 GEADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821614626 607140867 /nfs/dbraw/zinc/14/08/67/607140867.db2.gz NSGJXEIEEQSQAU-UHFFFAOYSA-N -1 1 378.314 2.433 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCc1ccccc1Br ZINC000822903368 607146782 /nfs/dbraw/zinc/14/67/82/607146782.db2.gz KCFZIJPJULYZTA-UHFFFAOYSA-N -1 1 376.218 2.071 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000822004680 607169123 /nfs/dbraw/zinc/16/91/23/607169123.db2.gz KAAFSXKRLXFVFK-NSHDSACASA-N -1 1 380.399 2.211 20 0 GEADMM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)C1 ZINC000820697638 607211027 /nfs/dbraw/zinc/21/10/27/607211027.db2.gz JUDWWHSLHMAGCM-XJKSGUPXSA-N -1 1 396.455 2.192 20 0 GEADMM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821021734 607213681 /nfs/dbraw/zinc/21/36/81/607213681.db2.gz ONADJZIOLMUGAA-INIZCTEOSA-N -1 1 382.472 2.108 20 0 GEADMM Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000822486295 607239238 /nfs/dbraw/zinc/23/92/38/607239238.db2.gz FHOBTGQBJQDUOE-NSHDSACASA-N -1 1 385.375 2.312 20 0 GEADMM Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000822486295 607239239 /nfs/dbraw/zinc/23/92/39/607239239.db2.gz FHOBTGQBJQDUOE-NSHDSACASA-N -1 1 385.375 2.312 20 0 GEADMM CN(CCN1C(=O)c2ccccc2C1=O)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825937690 607820545 /nfs/dbraw/zinc/82/05/45/607820545.db2.gz HWMHPWADPROLHK-UHFFFAOYSA-N -1 1 399.414 2.147 20 0 GEADMM CN(CCN1C(=O)c2ccccc2C1=O)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825937690 607820546 /nfs/dbraw/zinc/82/05/46/607820546.db2.gz HWMHPWADPROLHK-UHFFFAOYSA-N -1 1 399.414 2.147 20 0 GEADMM Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(-c2nn[nH]n2)c1C ZINC000826335794 607837888 /nfs/dbraw/zinc/83/78/88/607837888.db2.gz BSJHZQNJDAEGEU-UHFFFAOYSA-N -1 1 379.424 2.078 20 0 GEADMM CCOc1ccccc1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825653728 607847903 /nfs/dbraw/zinc/84/79/03/607847903.db2.gz IPZZTPVOOUILCA-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CCOc1ccccc1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825653728 607847904 /nfs/dbraw/zinc/84/79/04/607847904.db2.gz IPZZTPVOOUILCA-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM Cc1cc(Br)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826256294 607866766 /nfs/dbraw/zinc/86/67/66/607866766.db2.gz BTGIMKPSUNULDM-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM Cc1cc(Br)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826256294 607866767 /nfs/dbraw/zinc/86/67/67/607866767.db2.gz BTGIMKPSUNULDM-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM Cc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(I)n1 ZINC000826292082 607893885 /nfs/dbraw/zinc/89/38/85/607893885.db2.gz HJGXECBSMYLXSM-UHFFFAOYSA-N -1 1 394.176 2.149 20 0 GEADMM Cc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(I)n1 ZINC000826292082 607893886 /nfs/dbraw/zinc/89/38/86/607893886.db2.gz HJGXECBSMYLXSM-UHFFFAOYSA-N -1 1 394.176 2.149 20 0 GEADMM Cn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1[C@@H]1COc2ccccc2O1 ZINC000826356514 607895640 /nfs/dbraw/zinc/89/56/40/607895640.db2.gz UOWGCCIWJZDACX-ZDUSSCGKSA-N -1 1 394.420 2.054 20 0 GEADMM Cn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1[C@@H]1COc2ccccc2O1 ZINC000826356514 607895641 /nfs/dbraw/zinc/89/56/41/607895641.db2.gz UOWGCCIWJZDACX-ZDUSSCGKSA-N -1 1 394.420 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000825000457 607906293 /nfs/dbraw/zinc/90/62/93/607906293.db2.gz QUBFMHJRBJJMFZ-CABCVRRESA-N -1 1 398.515 2.300 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000825000457 607906294 /nfs/dbraw/zinc/90/62/94/607906294.db2.gz QUBFMHJRBJJMFZ-CABCVRRESA-N -1 1 398.515 2.300 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC=C(C(F)(F)F)CC1 ZINC000826495174 607938400 /nfs/dbraw/zinc/93/84/00/607938400.db2.gz FZPAHALDEXOSON-UHFFFAOYSA-N -1 1 393.778 2.403 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC=C(C(F)(F)F)CC1 ZINC000826495174 607938401 /nfs/dbraw/zinc/93/84/01/607938401.db2.gz FZPAHALDEXOSON-UHFFFAOYSA-N -1 1 393.778 2.403 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[C@H](CO)CC2)c1-c1nn[n-]n1 ZINC000826231532 607941556 /nfs/dbraw/zinc/94/15/56/607941556.db2.gz PBODTMUTKGSJJU-UMSPYCQHSA-N -1 1 388.497 2.142 20 0 GEADMM CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1c(C)noc1C ZINC000825133351 607956869 /nfs/dbraw/zinc/95/68/69/607956869.db2.gz LTQFQGDTHQAXFZ-AWEZNQCLSA-N -1 1 399.455 2.389 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000826450921 607998318 /nfs/dbraw/zinc/99/83/18/607998318.db2.gz IUYPUCICCIQWLS-MRXNPFEDSA-N -1 1 392.419 2.206 20 0 GEADMM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825242003 607998445 /nfs/dbraw/zinc/99/84/45/607998445.db2.gz GSSNLCGTTOVBHB-HNNXBMFYSA-N -1 1 394.435 2.038 20 0 GEADMM COc1ccccc1-c1nn(C)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826218177 607998778 /nfs/dbraw/zinc/99/87/78/607998778.db2.gz RNVGDLYXDZUELM-UHFFFAOYSA-N -1 1 391.391 2.234 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(c2cccc(F)c2)CCOCC1 ZINC000826451035 607998954 /nfs/dbraw/zinc/99/89/54/607998954.db2.gz NCBOCSQHBCBANJ-UHFFFAOYSA-N -1 1 383.383 2.398 20 0 GEADMM O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826461836 608029226 /nfs/dbraw/zinc/02/92/26/608029226.db2.gz HSJQFQXRZKFOCF-ZDUSSCGKSA-N -1 1 383.433 2.276 20 0 GEADMM O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826461836 608029227 /nfs/dbraw/zinc/02/92/27/608029227.db2.gz HSJQFQXRZKFOCF-ZDUSSCGKSA-N -1 1 383.433 2.276 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826333077 608030169 /nfs/dbraw/zinc/03/01/69/608030169.db2.gz SPCQCXOZXWARMB-BLLLJJGKSA-N -1 1 394.435 2.409 20 0 GEADMM CC(C)c1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(C(C)C)n1 ZINC000824342030 608046931 /nfs/dbraw/zinc/04/69/31/608046931.db2.gz JILFHFIOEMWJPC-UHFFFAOYSA-N -1 1 384.492 2.278 20 0 GEADMM CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824080583 608111298 /nfs/dbraw/zinc/11/12/98/608111298.db2.gz YDWUQJWORPFEPE-GXFFZTMASA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824080583 608111299 /nfs/dbraw/zinc/11/12/99/608111299.db2.gz YDWUQJWORPFEPE-GXFFZTMASA-N -1 1 399.904 2.392 20 0 GEADMM CCCn1c(C)nnc1COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825357110 608115353 /nfs/dbraw/zinc/11/53/53/608115353.db2.gz YXRSMQGDLLPUGT-UHFFFAOYSA-N -1 1 396.411 2.226 20 0 GEADMM CCCn1c(C)nnc1COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825357110 608115354 /nfs/dbraw/zinc/11/53/54/608115354.db2.gz YXRSMQGDLLPUGT-UHFFFAOYSA-N -1 1 396.411 2.226 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826231643 608168100 /nfs/dbraw/zinc/16/81/00/608168100.db2.gz UADDOHVRJYEJAZ-QWRGUYRKSA-N -1 1 388.497 2.406 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2noc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826231348 608205713 /nfs/dbraw/zinc/20/57/13/608205713.db2.gz HQGZLFWWPGPOSD-UHFFFAOYSA-N -1 1 398.452 2.051 20 0 GEADMM C[C@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824874069 608212848 /nfs/dbraw/zinc/21/28/48/608212848.db2.gz BDDOPVWKYFFADO-STQMWFEESA-N -1 1 388.520 2.416 20 0 GEADMM C[C@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824874069 608212849 /nfs/dbraw/zinc/21/28/49/608212849.db2.gz BDDOPVWKYFFADO-STQMWFEESA-N -1 1 388.520 2.416 20 0 GEADMM O=C(OCc1ccc(Oc2ccccc2)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826466103 608253261 /nfs/dbraw/zinc/25/32/61/608253261.db2.gz OYQQVJGQBJEEIS-UHFFFAOYSA-N -1 1 375.348 2.201 20 0 GEADMM O=C(OCc1ccc(Oc2ccccc2)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826466103 608253262 /nfs/dbraw/zinc/25/32/62/608253262.db2.gz OYQQVJGQBJEEIS-UHFFFAOYSA-N -1 1 375.348 2.201 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc(F)c1Cl ZINC000825000378 608258014 /nfs/dbraw/zinc/25/80/14/608258014.db2.gz PDBYTXSJZWMPHZ-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc(F)c1Cl ZINC000825000378 608258015 /nfs/dbraw/zinc/25/80/15/608258015.db2.gz PDBYTXSJZWMPHZ-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824447665 608308869 /nfs/dbraw/zinc/30/88/69/608308869.db2.gz AHMNSXLNJBNASU-SECBINFHSA-N -1 1 390.245 2.180 20 0 GEADMM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824447665 608308872 /nfs/dbraw/zinc/30/88/72/608308872.db2.gz AHMNSXLNJBNASU-SECBINFHSA-N -1 1 390.245 2.180 20 0 GEADMM CC(C)(C)CCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824086835 608350823 /nfs/dbraw/zinc/35/08/23/608350823.db2.gz NQVAVDGADTYTPQ-UHFFFAOYSA-N -1 1 390.492 2.089 20 0 GEADMM CC(C)(C)CCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824086835 608350825 /nfs/dbraw/zinc/35/08/25/608350825.db2.gz NQVAVDGADTYTPQ-UHFFFAOYSA-N -1 1 390.492 2.089 20 0 GEADMM CCCC[C@@H](CCC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825261449 608354813 /nfs/dbraw/zinc/35/48/13/608354813.db2.gz ZWWIYLORMMAMPC-GFCCVEGCSA-N -1 1 390.492 2.232 20 0 GEADMM CCCC[C@@H](CCC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825261449 608354815 /nfs/dbraw/zinc/35/48/15/608354815.db2.gz ZWWIYLORMMAMPC-GFCCVEGCSA-N -1 1 390.492 2.232 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1cccc2ccccc21 ZINC000826104039 608418449 /nfs/dbraw/zinc/41/84/49/608418449.db2.gz OFWREFPGSFOSHH-OAHLLOKOSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1cccc2ccccc21 ZINC000826104039 608418451 /nfs/dbraw/zinc/41/84/51/608418451.db2.gz OFWREFPGSFOSHH-OAHLLOKOSA-N -1 1 389.419 2.254 20 0 GEADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1Br ZINC000824426789 608428291 /nfs/dbraw/zinc/42/82/91/608428291.db2.gz IBHKBXTWWGEBDL-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1Br ZINC000824426789 608428293 /nfs/dbraw/zinc/42/82/93/608428293.db2.gz IBHKBXTWWGEBDL-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM O[C@@H](CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000826502928 608436512 /nfs/dbraw/zinc/43/65/12/608436512.db2.gz MUFSTBAUTWDAAL-HNNXBMFYSA-N -1 1 379.449 2.458 20 0 GEADMM O[C@@H](CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000826502928 608436513 /nfs/dbraw/zinc/43/65/13/608436513.db2.gz MUFSTBAUTWDAAL-HNNXBMFYSA-N -1 1 379.449 2.458 20 0 GEADMM c1cc(-c2nnn[n-]2)oc1CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000826524529 608503717 /nfs/dbraw/zinc/50/37/17/608503717.db2.gz YLKBJHYEMLYXLQ-UHFFFAOYSA-N -1 1 381.465 2.387 20 0 GEADMM c1cc(-c2nn[n-]n2)oc1CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000826524529 608503718 /nfs/dbraw/zinc/50/37/18/608503718.db2.gz YLKBJHYEMLYXLQ-UHFFFAOYSA-N -1 1 381.465 2.387 20 0 GEADMM CCc1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000825704245 608534378 /nfs/dbraw/zinc/53/43/78/608534378.db2.gz FCIJLBDEZQJRPX-UHFFFAOYSA-N -1 1 382.493 2.449 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000826280780 608542598 /nfs/dbraw/zinc/54/25/98/608542598.db2.gz PFKOFFMERAFRLF-AWEZNQCLSA-N -1 1 379.472 2.272 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000826280512 608542887 /nfs/dbraw/zinc/54/28/87/608542887.db2.gz FBNWEQHNOOSNHV-UHFFFAOYSA-N -1 1 376.424 2.467 20 0 GEADMM CCc1cccc(CC)c1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825722461 608548598 /nfs/dbraw/zinc/54/85/98/608548598.db2.gz HEYLMVSVQRTYSD-UHFFFAOYSA-N -1 1 397.487 2.393 20 0 GEADMM CCc1cccc(CC)c1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825722461 608548601 /nfs/dbraw/zinc/54/86/01/608548601.db2.gz HEYLMVSVQRTYSD-UHFFFAOYSA-N -1 1 397.487 2.393 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000825923789 608556619 /nfs/dbraw/zinc/55/66/19/608556619.db2.gz VUHRTNSRXHUNMZ-MGPQQGTHSA-N -1 1 386.504 2.170 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000825923789 608556621 /nfs/dbraw/zinc/55/66/21/608556621.db2.gz VUHRTNSRXHUNMZ-MGPQQGTHSA-N -1 1 386.504 2.170 20 0 GEADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826146567 608569002 /nfs/dbraw/zinc/56/90/02/608569002.db2.gz XTKZQWPFADQOGT-RISCZKNCSA-N -1 1 388.497 2.406 20 0 GEADMM CC(C)n1cnnc1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000824378142 608666365 /nfs/dbraw/zinc/66/63/65/608666365.db2.gz ZIWRCEVQFHTYBL-UHFFFAOYSA-N -1 1 390.455 2.366 20 0 GEADMM CC(C)n1cnnc1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000824378142 608666367 /nfs/dbraw/zinc/66/63/67/608666367.db2.gz ZIWRCEVQFHTYBL-UHFFFAOYSA-N -1 1 390.455 2.366 20 0 GEADMM O[C@@H](C[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000826503267 608837987 /nfs/dbraw/zinc/83/79/87/608837987.db2.gz UMDDAVKZUWZDIX-YPMHNXCESA-N -1 1 377.495 2.314 20 0 GEADMM CN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000825961562 608846863 /nfs/dbraw/zinc/84/68/63/608846863.db2.gz IHUHFJJZLMXWIS-GFCCVEGCSA-N -1 1 379.829 2.074 20 0 GEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000825961562 608846865 /nfs/dbraw/zinc/84/68/65/608846865.db2.gz IHUHFJJZLMXWIS-GFCCVEGCSA-N -1 1 379.829 2.074 20 0 GEADMM CC(=O)N(c1nc(Cn2ccnc2-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC000823967006 608891757 /nfs/dbraw/zinc/89/17/57/608891757.db2.gz GKYQYROXQBZSIE-UHFFFAOYSA-N -1 1 384.400 2.392 20 0 GEADMM CC(=O)N(c1nc(Cn2ccnc2-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC000823967006 608891758 /nfs/dbraw/zinc/89/17/58/608891758.db2.gz GKYQYROXQBZSIE-UHFFFAOYSA-N -1 1 384.400 2.392 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000826424903 608893894 /nfs/dbraw/zinc/89/38/94/608893894.db2.gz HXJGBTDTSHSEJR-KRWDZBQOSA-N -1 1 391.460 2.299 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000826424903 608893897 /nfs/dbraw/zinc/89/38/97/608893897.db2.gz HXJGBTDTSHSEJR-KRWDZBQOSA-N -1 1 391.460 2.299 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(C)[nH]c(=O)c2)c1-c1nn[n-]n1 ZINC000826261577 609243942 /nfs/dbraw/zinc/24/39/42/609243942.db2.gz KKJYIXXKCQXZEK-UHFFFAOYSA-N -1 1 391.391 2.127 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)Nc2ccc3nncn3c2)c1-c1nn[n-]n1 ZINC000826231173 609262334 /nfs/dbraw/zinc/26/23/34/609262334.db2.gz AEHMTMPUGLPXRV-UHFFFAOYSA-N -1 1 393.436 2.156 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2nccn2c1 ZINC000826458128 609291268 /nfs/dbraw/zinc/29/12/68/609291268.db2.gz DNDYLJKPHIJGMT-UHFFFAOYSA-N -1 1 389.354 2.092 20 0 GEADMM COc1ccc(C[C@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000826190761 609297149 /nfs/dbraw/zinc/29/71/49/609297149.db2.gz MKIJZECGOHZPDG-NSHDSACASA-N -1 1 383.408 2.407 20 0 GEADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825133752 609298557 /nfs/dbraw/zinc/29/85/57/609298557.db2.gz PDHBJDFAIBRDIH-AWEZNQCLSA-N -1 1 397.487 2.206 20 0 GEADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825133752 609298558 /nfs/dbraw/zinc/29/85/58/609298558.db2.gz PDHBJDFAIBRDIH-AWEZNQCLSA-N -1 1 397.487 2.206 20 0 GEADMM CCCc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n[nH]1 ZINC000825348454 609310894 /nfs/dbraw/zinc/31/08/94/609310894.db2.gz LJLUGVJKPKKUIZ-UHFFFAOYSA-N -1 1 381.375 2.119 20 0 GEADMM CCNc1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000825485456 609350711 /nfs/dbraw/zinc/35/07/11/609350711.db2.gz GGBSMXWIJFYUMP-UHFFFAOYSA-N -1 1 399.415 2.332 20 0 GEADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc[nH]1 ZINC000824506265 609360635 /nfs/dbraw/zinc/36/06/35/609360635.db2.gz NCWIUOLCKAWLQG-SNVBAGLBSA-N -1 1 381.375 2.402 20 0 GEADMM O=C(NCc1ccc(F)cn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826442001 609362650 /nfs/dbraw/zinc/36/26/50/609362650.db2.gz FLJOBRZKWVZFRL-UHFFFAOYSA-N -1 1 397.349 2.047 20 0 GEADMM O=C(NC[C@H]1CCCS1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435309 609364110 /nfs/dbraw/zinc/36/41/10/609364110.db2.gz LPHGRJLQIDWWMX-SNVBAGLBSA-N -1 1 388.432 2.209 20 0 GEADMM CC(C)(C)OC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000824114661 609434491 /nfs/dbraw/zinc/43/44/91/609434491.db2.gz ZPCLVMOBVRYPBO-UHFFFAOYSA-N -1 1 390.831 2.360 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c1-c1nnn[n-]1 ZINC000826346343 609470819 /nfs/dbraw/zinc/47/08/19/609470819.db2.gz KECIBEVVPXHCFI-LBPRGKRZSA-N -1 1 388.815 2.389 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c1-c1nn[n-]n1 ZINC000826346343 609470821 /nfs/dbraw/zinc/47/08/21/609470821.db2.gz KECIBEVVPXHCFI-LBPRGKRZSA-N -1 1 388.815 2.389 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCN(C)c1ccccc1 ZINC000826340950 609497775 /nfs/dbraw/zinc/49/77/75/609497775.db2.gz PVKAOLHHKTZXAU-UHFFFAOYSA-N -1 1 391.435 2.425 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN(C)c1ccccc1 ZINC000826340950 609497777 /nfs/dbraw/zinc/49/77/77/609497777.db2.gz PVKAOLHHKTZXAU-UHFFFAOYSA-N -1 1 391.435 2.425 20 0 GEADMM CCCCCN(CCCOC)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825276451 609586848 /nfs/dbraw/zinc/58/68/48/609586848.db2.gz XXODURXDKPKXPS-UHFFFAOYSA-N -1 1 385.465 2.223 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1cnc(C)nc1C ZINC000826330556 609608468 /nfs/dbraw/zinc/60/84/68/609608468.db2.gz YXQNSXCSYQWFJO-UHFFFAOYSA-N -1 1 379.380 2.323 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1cnc(C)nc1C ZINC000826330556 609608471 /nfs/dbraw/zinc/60/84/71/609608471.db2.gz YXQNSXCSYQWFJO-UHFFFAOYSA-N -1 1 379.380 2.323 20 0 GEADMM C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824882375 609611560 /nfs/dbraw/zinc/61/15/60/609611560.db2.gz ARGBTLPMMODIHE-MNOVXSKESA-N -1 1 385.877 2.004 20 0 GEADMM C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824882375 609611562 /nfs/dbraw/zinc/61/15/62/609611562.db2.gz ARGBTLPMMODIHE-MNOVXSKESA-N -1 1 385.877 2.004 20 0 GEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cn1 ZINC000447280516 650004743 /nfs/dbraw/zinc/00/47/43/650004743.db2.gz WYPCXCVTCIQMRY-UHFFFAOYSA-N -1 1 383.323 2.210 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CC)C(F)F)c(F)c1 ZINC000451080492 650084348 /nfs/dbraw/zinc/08/43/48/650084348.db2.gz JGQVUGCDHPXRMY-LLVKDONJSA-N -1 1 388.433 2.299 20 0 GEADMM O=S(=O)(CCCCF)[N-]c1cc(N2CCOCC2)c(Br)cn1 ZINC000451105681 650087049 /nfs/dbraw/zinc/08/70/49/650087049.db2.gz UOCBLRRRVZQXSL-UHFFFAOYSA-N -1 1 396.282 2.172 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](C)(F)C2)c(F)c1 ZINC000451366667 650107903 /nfs/dbraw/zinc/10/79/03/650107903.db2.gz INTMLSZFWYGPDF-AWEZNQCLSA-N -1 1 382.454 2.100 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](C)CCCO ZINC000451686395 650133163 /nfs/dbraw/zinc/13/31/63/650133163.db2.gz OVVRNBMXUPYBHF-SECBINFHSA-N -1 1 384.281 2.467 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]2C(C)C)c(F)c1 ZINC000451914912 650153156 /nfs/dbraw/zinc/15/31/56/650153156.db2.gz ADFSABLMXDZJCX-AWEZNQCLSA-N -1 1 378.491 2.396 20 0 GEADMM CCN1CCN(CC(C)(C)[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000452045755 650168891 /nfs/dbraw/zinc/16/88/91/650168891.db2.gz GODJKPOHWNODHL-UHFFFAOYSA-N -1 1 395.903 2.313 20 0 GEADMM CCC[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC ZINC000452312797 650179459 /nfs/dbraw/zinc/17/94/59/650179459.db2.gz YLANETAXVHISKB-JTQLQIEISA-N -1 1 383.297 2.203 20 0 GEADMM CC[C@@H](C)[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC ZINC000452406714 650184709 /nfs/dbraw/zinc/18/47/09/650184709.db2.gz LYCYRNDSRQKKFR-MFKMUULPSA-N -1 1 397.324 2.449 20 0 GEADMM CC[C@](C)(CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC ZINC000452711363 650194196 /nfs/dbraw/zinc/19/41/96/650194196.db2.gz DUOKYZZOCLWFOQ-CQSZACIVSA-N -1 1 383.297 2.203 20 0 GEADMM C[C@@H](Cc1cnn(C)c1)NC(=O)c1ccc(I)c([O-])c1 ZINC000456428484 650340072 /nfs/dbraw/zinc/34/00/72/650340072.db2.gz CDNWPNDASDBGCS-VIFPVBQESA-N -1 1 385.205 2.091 20 0 GEADMM O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)c1cncc([O-])c1 ZINC000456482817 650342512 /nfs/dbraw/zinc/34/25/12/650342512.db2.gz JGTSLLROQKQOBU-SNVBAGLBSA-N -1 1 383.217 2.270 20 0 GEADMM COc1ccc(C[C@@H](CO)CNC(=O)c2ncccc2[O-])cc1Br ZINC000456506889 650344830 /nfs/dbraw/zinc/34/48/30/650344830.db2.gz WCQWSEHMQPAAMP-GFCCVEGCSA-N -1 1 395.253 2.139 20 0 GEADMM C[C@@H](O)CN(CC(F)F)C(=O)c1cc(I)ccc1[O-] ZINC000456558652 650348019 /nfs/dbraw/zinc/34/80/19/650348019.db2.gz DPTTUEBMOICOBK-SSDOTTSWSA-N -1 1 385.148 2.085 20 0 GEADMM O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ncccc1[O-] ZINC000456714209 650357456 /nfs/dbraw/zinc/35/74/56/650357456.db2.gz JDRYXYCQVMHSNA-NSHDSACASA-N -1 1 383.217 2.270 20 0 GEADMM CN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1=O ZINC000502418256 650405834 /nfs/dbraw/zinc/40/58/34/650405834.db2.gz DKRFPAQGHSMJGJ-JTQLQIEISA-N -1 1 399.669 2.141 20 0 GEADMM CCOc1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000504126176 650427544 /nfs/dbraw/zinc/42/75/44/650427544.db2.gz RIVLESUJVQUZRH-LBPRGKRZSA-N -1 1 375.874 2.484 20 0 GEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cnc(-c3ccncc3)s2)s1 ZINC000505124371 650435056 /nfs/dbraw/zinc/43/50/56/650435056.db2.gz QGAPGRTVFFLIKN-UHFFFAOYSA-N -1 1 375.435 2.415 20 0 GEADMM CN(C)S(=O)(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000460445944 650442526 /nfs/dbraw/zinc/44/25/26/650442526.db2.gz RSVMGJOIIVMXKI-UHFFFAOYSA-N -1 1 389.886 2.359 20 0 GEADMM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000460861605 650446946 /nfs/dbraw/zinc/44/69/46/650446946.db2.gz ZBCDPEARUCEIFZ-UHFFFAOYSA-N -1 1 398.217 2.365 20 0 GEADMM Cc1c2ccc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2nn1C ZINC000461336002 650452289 /nfs/dbraw/zinc/45/22/89/650452289.db2.gz VVBBUZABNSHUAO-UHFFFAOYSA-N -1 1 379.463 2.086 20 0 GEADMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc12 ZINC000461344789 650452325 /nfs/dbraw/zinc/45/23/25/650452325.db2.gz WQVNYDCPXYBCGB-UHFFFAOYSA-N -1 1 379.463 2.086 20 0 GEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1cncc(Br)c1 ZINC000506649624 650448396 /nfs/dbraw/zinc/44/83/96/650448396.db2.gz TXXUZOLXPBPWMC-UHFFFAOYSA-N -1 1 380.227 2.226 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2Br)c1 ZINC000461455370 650454433 /nfs/dbraw/zinc/45/44/33/650454433.db2.gz JVCKWGCRBKWKGY-UHFFFAOYSA-N -1 1 399.266 2.244 20 0 GEADMM CCCS(=O)(=O)Nc1cc([N-]C(=O)c2cc(OC)no2)c(F)cc1F ZINC000461665823 650458663 /nfs/dbraw/zinc/45/86/63/650458663.db2.gz NUNBMTMTQVJZBM-UHFFFAOYSA-N -1 1 375.353 2.365 20 0 GEADMM COCc1ccc(S(=O)(=O)[N-]c2cc(OC)cc(S(C)(=O)=O)c2)cc1 ZINC000507578915 650463822 /nfs/dbraw/zinc/46/38/22/650463822.db2.gz AWDMHAULJLKVHG-UHFFFAOYSA-N -1 1 385.463 2.046 20 0 GEADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1F ZINC000507982120 650471752 /nfs/dbraw/zinc/47/17/52/650471752.db2.gz DUCVBOIRNYRFIM-UHFFFAOYSA-N -1 1 392.861 2.111 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCCC1 ZINC000462323574 650475108 /nfs/dbraw/zinc/47/51/08/650475108.db2.gz IXQURFMTVLDUQI-NSHDSACASA-N -1 1 378.491 2.444 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@H](n2cccn2)C1 ZINC000462890761 650492023 /nfs/dbraw/zinc/49/20/23/650492023.db2.gz XPYZIDXUXZXPLB-NSHDSACASA-N -1 1 383.189 2.281 20 0 GEADMM CC[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509860563 650501950 /nfs/dbraw/zinc/50/19/50/650501950.db2.gz BUSFKYWDMUFWFZ-SECBINFHSA-N -1 1 384.281 2.467 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(C)(C)CCO ZINC000509882509 650502509 /nfs/dbraw/zinc/50/25/09/650502509.db2.gz CTGLFHJNWCRYFB-UHFFFAOYSA-N -1 1 384.281 2.467 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(Br)c(F)cc1F ZINC000469510881 650510849 /nfs/dbraw/zinc/51/08/49/650510849.db2.gz SUZUWBVYQFBQLK-UHFFFAOYSA-N -1 1 386.152 2.196 20 0 GEADMM COCc1c(Br)cccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000510572079 650514489 /nfs/dbraw/zinc/51/44/89/650514489.db2.gz RCAUCEXVTWDFEZ-UHFFFAOYSA-N -1 1 394.225 2.065 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)sc1Cl ZINC000510984099 650522731 /nfs/dbraw/zinc/52/27/31/650522731.db2.gz OTMCANIWMPLSCU-VIFPVBQESA-N -1 1 392.852 2.251 20 0 GEADMM CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473954713 650525746 /nfs/dbraw/zinc/52/57/46/650525746.db2.gz YTBFGHKWBWSBHU-UHFFFAOYSA-N -1 1 378.274 2.234 20 0 GEADMM CC[C@H]1CO[C@H](C)CN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000476132720 650544748 /nfs/dbraw/zinc/54/47/48/650544748.db2.gz FBXYQAVCGUUILD-MNOVXSKESA-N -1 1 395.308 2.298 20 0 GEADMM COc1ccc(Br)c(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000511901682 650541911 /nfs/dbraw/zinc/54/19/11/650541911.db2.gz QGEDKBNEWJAWAU-UHFFFAOYSA-N -1 1 391.225 2.375 20 0 GEADMM Cn1nc(CC[N-]S(=O)(=O)c2ccc(Br)o2)c2ccccc21 ZINC000476216143 650546652 /nfs/dbraw/zinc/54/66/52/650546652.db2.gz JLEXZDKCIWBVPE-UHFFFAOYSA-N -1 1 384.255 2.450 20 0 GEADMM C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000476983828 650565019 /nfs/dbraw/zinc/56/50/19/650565019.db2.gz UMYONJNNSOWFDW-DGCLKSJQSA-N -1 1 378.491 2.396 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1F ZINC000513814489 650569286 /nfs/dbraw/zinc/56/92/86/650569286.db2.gz ZWFFYMZLUYWMOJ-UHFFFAOYSA-N -1 1 375.761 2.449 20 0 GEADMM C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477152891 650569895 /nfs/dbraw/zinc/56/98/95/650569895.db2.gz VQOYSHQDRTYSOE-NSHDSACASA-N -1 1 390.458 2.090 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2nc(-c3ccccc3)cs2)c1 ZINC000513637248 650566980 /nfs/dbraw/zinc/56/69/80/650566980.db2.gz JGINHTSIOFCKHR-UHFFFAOYSA-N -1 1 375.431 2.415 20 0 GEADMM CN(C)CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000477576812 650576125 /nfs/dbraw/zinc/57/61/25/650576125.db2.gz ICCOMBPCBWSHTD-UHFFFAOYSA-N -1 1 383.857 2.347 20 0 GEADMM COC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1)C(F)(F)F ZINC000479136604 650597129 /nfs/dbraw/zinc/59/71/29/650597129.db2.gz CGNNMLZTMODDET-LBPRGKRZSA-N -1 1 389.779 2.372 20 0 GEADMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000479138230 650597257 /nfs/dbraw/zinc/59/72/57/650597257.db2.gz GKZIFTHSAGWGRM-UHFFFAOYSA-N -1 1 379.463 2.217 20 0 GEADMM COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1C ZINC000479372089 650602151 /nfs/dbraw/zinc/60/21/51/650602151.db2.gz CXYHUQNUBQGNNG-UHFFFAOYSA-N -1 1 386.813 2.273 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1C ZINC000479517552 650605368 /nfs/dbraw/zinc/60/53/68/650605368.db2.gz OYJCDMXLEBQLQJ-UHFFFAOYSA-N -1 1 397.503 2.314 20 0 GEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000479546407 650606143 /nfs/dbraw/zinc/60/61/43/650606143.db2.gz RXSQPCWPQOCXEJ-UHFFFAOYSA-N -1 1 392.405 2.146 20 0 GEADMM COc1cccc(F)c1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000479546407 650606146 /nfs/dbraw/zinc/60/61/46/650606146.db2.gz RXSQPCWPQOCXEJ-UHFFFAOYSA-N -1 1 392.405 2.146 20 0 GEADMM O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000519254129 650608618 /nfs/dbraw/zinc/60/86/18/650608618.db2.gz HKELGDKXWLGDDE-UHFFFAOYSA-N -1 1 378.416 2.469 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc(Cl)c1F ZINC000480237094 650618197 /nfs/dbraw/zinc/61/81/97/650618197.db2.gz XHCPOJZSOFWVHC-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(F)(F)F ZINC000480921254 650637611 /nfs/dbraw/zinc/63/76/11/650637611.db2.gz PVVVIVNKUVRQAC-JTQLQIEISA-N -1 1 388.433 2.131 20 0 GEADMM Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C2 ZINC000481562806 650648935 /nfs/dbraw/zinc/64/89/35/650648935.db2.gz MQPOYZWPCLRCMT-UHFFFAOYSA-N -1 1 384.454 2.210 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)co1 ZINC000481586707 650649870 /nfs/dbraw/zinc/64/98/70/650649870.db2.gz YYOWPOIJMVGTSM-UHFFFAOYSA-N -1 1 390.776 2.019 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)o1 ZINC000481610625 650650683 /nfs/dbraw/zinc/65/06/83/650650683.db2.gz QUJBXDCPCQWGPH-UHFFFAOYSA-N -1 1 390.776 2.019 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]c2ncccc2Cl)cc1C(=O)NCC(F)(F)F ZINC000481987858 650657868 /nfs/dbraw/zinc/65/78/68/650657868.db2.gz YPEOGAJFRPTIGG-UHFFFAOYSA-N -1 1 396.778 2.166 20 0 GEADMM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)on1 ZINC000528536262 650695110 /nfs/dbraw/zinc/69/51/10/650695110.db2.gz GHXVTYAMWPRBNI-CYBMUJFWSA-N -1 1 387.820 2.000 20 0 GEADMM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000486834573 650723601 /nfs/dbraw/zinc/72/36/01/650723601.db2.gz UBBFQIMOZCGQPS-UHFFFAOYSA-N -1 1 395.289 2.270 20 0 GEADMM O=C(NNC(=O)c1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000011639473 642370428 /nfs/dbraw/zinc/37/04/28/642370428.db2.gz VLKIGVHHXGOGOM-UHFFFAOYSA-N -1 1 380.154 2.138 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1 ZINC000026539588 642434719 /nfs/dbraw/zinc/43/47/19/642434719.db2.gz DWPDCEPTBVLFTG-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CCCNc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000026540785 642434987 /nfs/dbraw/zinc/43/49/87/642434987.db2.gz QPCUUCNDRYRLAK-UHFFFAOYSA-N -1 1 387.458 2.096 20 0 GEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])s1 ZINC000028817912 642454148 /nfs/dbraw/zinc/45/41/48/642454148.db2.gz MPCQKWVJJWAKEG-UHFFFAOYSA-N -1 1 382.463 2.035 20 0 GEADMM CS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1F ZINC000029403350 642463246 /nfs/dbraw/zinc/46/32/46/642463246.db2.gz PVYDHYRXHZBDEH-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM O=S(=O)([N-]C[C@@H](O)COc1ccccc1)c1sccc1Br ZINC000533095243 650756949 /nfs/dbraw/zinc/75/69/49/650756949.db2.gz CMAFDEGDPAHFQY-SNVBAGLBSA-N -1 1 392.296 2.229 20 0 GEADMM COC(=O)c1ccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)s1 ZINC000033070234 642501228 /nfs/dbraw/zinc/50/12/28/642501228.db2.gz SYNQDIHRICDEAX-UHFFFAOYSA-N -1 1 384.435 2.167 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)co1 ZINC000533678490 650764267 /nfs/dbraw/zinc/76/42/67/650764267.db2.gz IIWZZTMQMYMYFG-UHFFFAOYSA-N -1 1 396.475 2.443 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000534170164 650769891 /nfs/dbraw/zinc/76/98/91/650769891.db2.gz QWBODKGKZLSNKI-JTQLQIEISA-N -1 1 375.315 2.322 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)o1 ZINC000046315948 642609778 /nfs/dbraw/zinc/60/97/78/642609778.db2.gz ZLQKWLJBNIPXTC-VIFPVBQESA-N -1 1 386.813 2.025 20 0 GEADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000048455947 642650575 /nfs/dbraw/zinc/65/05/75/642650575.db2.gz ATNRFXDNCOWPJU-RKDXNWHRSA-N -1 1 393.215 2.158 20 0 GEADMM C[C@H](Cc1ccccc1Br)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000490561352 650776164 /nfs/dbraw/zinc/77/61/64/650776164.db2.gz FPSJQLXTGDFYGW-LLVKDONJSA-N -1 1 392.253 2.027 20 0 GEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051695123 642702764 /nfs/dbraw/zinc/70/27/64/642702764.db2.gz AWPYRORJXSUHQV-AAEUAGOBSA-N -1 1 388.511 2.314 20 0 GEADMM C[C@@H](C1CC1)N(C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O)C1CC1 ZINC000051695093 642703032 /nfs/dbraw/zinc/70/30/32/642703032.db2.gz TZNINAROHCHUAN-JTQLQIEISA-N -1 1 386.495 2.066 20 0 GEADMM Cc1cc(Br)oc1C(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000051703411 642703112 /nfs/dbraw/zinc/70/31/12/642703112.db2.gz NONMQLOJEXRKCX-UHFFFAOYSA-N -1 1 387.211 2.030 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]2CC)c(OC)c1 ZINC000490629958 650777557 /nfs/dbraw/zinc/77/75/57/650777557.db2.gz NGVKUPHLLAAGIT-ZDUSSCGKSA-N -1 1 376.500 2.020 20 0 GEADMM CC(Nc1ccc(SC#N)cc1Br)=C1C(=O)[N-]C(=S)NC1=O ZINC000054501469 642753873 /nfs/dbraw/zinc/75/38/73/642753873.db2.gz RAHUUEATZLDLEJ-UHFFFAOYSA-N -1 1 397.279 2.239 20 0 GEADMM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000055218459 642770482 /nfs/dbraw/zinc/77/04/82/642770482.db2.gz HYVMKNAIIAOZGH-UHFFFAOYSA-N -1 1 385.667 2.118 20 0 GEADMM O=C(NCCNC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000055624916 642775270 /nfs/dbraw/zinc/77/52/70/642775270.db2.gz YOFGKWDZWNMLMM-UHFFFAOYSA-N -1 1 381.201 2.454 20 0 GEADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)ccc1Cl ZINC000055648474 642777585 /nfs/dbraw/zinc/77/75/85/642777585.db2.gz AAEMUSDLMWZSGF-UHFFFAOYSA-N -1 1 382.825 2.287 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCc3ccccc32)c(F)c1 ZINC000057115465 642804908 /nfs/dbraw/zinc/80/49/08/642804908.db2.gz ODYXRBYROFONSL-UHFFFAOYSA-N -1 1 384.454 2.339 20 0 GEADMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1Br ZINC000057796330 642817604 /nfs/dbraw/zinc/81/76/04/642817604.db2.gz KALYQLMYUBQLBL-UHFFFAOYSA-N -1 1 384.205 2.488 20 0 GEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(NC(C)=O)n1 ZINC000062294716 642846821 /nfs/dbraw/zinc/84/68/21/642846821.db2.gz XETOEVFZZRNBNZ-UHFFFAOYSA-N -1 1 383.451 2.220 20 0 GEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000064680237 642875331 /nfs/dbraw/zinc/87/53/31/642875331.db2.gz GAYRJWISXKTXET-UHFFFAOYSA-N -1 1 386.386 2.493 20 0 GEADMM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000065832479 642889670 /nfs/dbraw/zinc/88/96/70/642889670.db2.gz GQWSERVEWFCUKN-UHFFFAOYSA-N -1 1 378.845 2.183 20 0 GEADMM CC(C)(C)OC(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000065970753 642892580 /nfs/dbraw/zinc/89/25/80/642892580.db2.gz KOTQYWFDMKXZDQ-UHFFFAOYSA-N -1 1 391.471 2.334 20 0 GEADMM O=C(CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl)NCc1cccnc1 ZINC000065971823 642893346 /nfs/dbraw/zinc/89/33/46/642893346.db2.gz VHCGEMDKSHCTLV-UHFFFAOYSA-N -1 1 394.305 2.435 20 0 GEADMM CCn1c(CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)n[n-]c1=S ZINC000066636176 642929311 /nfs/dbraw/zinc/92/93/11/642929311.db2.gz LGAYJXPHDLCTHB-JTQLQIEISA-N -1 1 389.547 2.223 20 0 GEADMM CC(C)n1c(CNC(=O)CNC(=O)c2c(F)cccc2Cl)n[n-]c1=S ZINC000066640705 642930129 /nfs/dbraw/zinc/93/01/29/642930129.db2.gz NTDGUDBCTRNHIA-UHFFFAOYSA-N -1 1 385.852 2.360 20 0 GEADMM O=C(CNC(=O)c1c(F)cccc1Cl)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638361 642930208 /nfs/dbraw/zinc/93/02/08/642930208.db2.gz PPCAIZINQNRPAK-UHFFFAOYSA-N -1 1 383.836 2.114 20 0 GEADMM Cn1c(CCNC(=O)c2cc(Br)cnc2Cl)n[n-]c1=S ZINC000067052019 642960998 /nfs/dbraw/zinc/96/09/98/642960998.db2.gz JJYAVXCOVMSNKB-UHFFFAOYSA-N -1 1 376.667 2.261 20 0 GEADMM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051908 642961358 /nfs/dbraw/zinc/96/13/58/642961358.db2.gz KPZCHDJKQUENIO-MRVPVSSYSA-N -1 1 385.833 2.165 20 0 GEADMM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070192 642961877 /nfs/dbraw/zinc/96/18/77/642961877.db2.gz KPXMMRJHGUSFBR-SNVBAGLBSA-N -1 1 385.515 2.202 20 0 GEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc2c(c1)NC(=O)CS2 ZINC000067078574 642962969 /nfs/dbraw/zinc/96/29/69/642962969.db2.gz HXDDNLNWTAJNDE-UHFFFAOYSA-N -1 1 375.479 2.292 20 0 GEADMM CCn1c(CCNC(=O)CSc2ccc3c(c2)OCCO3)n[n-]c1=S ZINC000067078316 642963006 /nfs/dbraw/zinc/96/30/06/642963006.db2.gz WTFJSZSMRMUXCN-UHFFFAOYSA-N -1 1 380.495 2.183 20 0 GEADMM O=C(CSCC(F)(F)F)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000536509697 650804354 /nfs/dbraw/zinc/80/43/54/650804354.db2.gz CHUACWNSFZLAPG-UHFFFAOYSA-N -1 1 384.401 2.067 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCc2coc(-c3ccc(F)cc3)n2)c1Cl ZINC000101582046 643111838 /nfs/dbraw/zinc/11/18/38/643111838.db2.gz LDVAWOPESPPGMO-UHFFFAOYSA-N -1 1 384.820 2.389 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1S(N)(=O)=O ZINC000102862610 643143606 /nfs/dbraw/zinc/14/36/06/643143606.db2.gz UKQSMEVALRXTPJ-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932618 643146987 /nfs/dbraw/zinc/14/69/87/643146987.db2.gz JSHUJKIYNOHTHF-SNVBAGLBSA-N -1 1 376.475 2.149 20 0 GEADMM C[C@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000102932750 643146995 /nfs/dbraw/zinc/14/69/95/643146995.db2.gz DZAGPZCTLSCLKG-RYUDHWBXSA-N -1 1 378.491 2.302 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cc(Br)cs1 ZINC000104146466 643178629 /nfs/dbraw/zinc/17/86/29/643178629.db2.gz FWDLFHAUHLSJIN-UHFFFAOYSA-N -1 1 395.282 2.322 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000537850463 650824734 /nfs/dbraw/zinc/82/47/34/650824734.db2.gz NWLXDTBBLOIISM-UHFFFAOYSA-N -1 1 375.431 2.415 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c(F)c1 ZINC000105389662 643204544 /nfs/dbraw/zinc/20/45/44/643204544.db2.gz OOKHMSIXEKNLDJ-UHFFFAOYSA-N -1 1 398.359 2.415 20 0 GEADMM CC(C)c1n[nH]c(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1Br ZINC000106901524 643244942 /nfs/dbraw/zinc/24/49/42/643244942.db2.gz HNXVJPFALDLTHU-UHFFFAOYSA-N -1 1 398.261 2.195 20 0 GEADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1[O-] ZINC000112030905 643352028 /nfs/dbraw/zinc/35/20/28/643352028.db2.gz WWADVIAQRFZOJY-VIFPVBQESA-N -1 1 381.148 2.048 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000497158036 650832836 /nfs/dbraw/zinc/83/28/36/650832836.db2.gz PZGKVQUQGIOWCY-UHFFFAOYSA-N -1 1 376.312 2.032 20 0 GEADMM O=S(=O)([N-]c1cccc(F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000112850672 643375212 /nfs/dbraw/zinc/37/52/12/643375212.db2.gz HJSLWAVDGOMEQF-UHFFFAOYSA-N -1 1 384.454 2.411 20 0 GEADMM Cc1nc(-c2c[nH]c(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c2)cs1 ZINC000538605748 650837308 /nfs/dbraw/zinc/83/73/08/650837308.db2.gz ZHAOQYQGZWIJRD-UHFFFAOYSA-N -1 1 378.435 2.052 20 0 GEADMM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)on1 ZINC000114499426 643420526 /nfs/dbraw/zinc/42/05/26/643420526.db2.gz IVHNODXQYVGEDT-UHFFFAOYSA-N -1 1 392.886 2.333 20 0 GEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)cc2o1 ZINC000116158818 643453666 /nfs/dbraw/zinc/45/36/66/643453666.db2.gz GEWDYPBQQUTKFD-UHFFFAOYSA-N -1 1 380.447 2.482 20 0 GEADMM CCC[C@H]1SCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000497984501 650844683 /nfs/dbraw/zinc/84/46/83/650844683.db2.gz RVFVTEXFEZDFLU-CYBMUJFWSA-N -1 1 382.504 2.061 20 0 GEADMM Cc1nc(CNC(=O)Cc2sc(N)nc2[O-])oc1-c1ccc(Cl)cc1 ZINC000121373111 643632094 /nfs/dbraw/zinc/63/20/94/643632094.db2.gz OHFHOOLNPWUFER-LLVKDONJSA-N -1 1 378.841 2.266 20 0 GEADMM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000121503537 643633999 /nfs/dbraw/zinc/63/39/99/643633999.db2.gz RJZLDXGDFLCMTH-LBPRGKRZSA-N -1 1 376.210 2.466 20 0 GEADMM CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000121595853 643636719 /nfs/dbraw/zinc/63/67/19/643636719.db2.gz FSAVCJTVSYRXBR-UHFFFAOYSA-N -1 1 385.239 2.347 20 0 GEADMM O=C(Nc1ccc(C(=O)NCCO)c([O-])c1)c1cccc(Br)c1 ZINC000122060748 643650534 /nfs/dbraw/zinc/65/05/34/643650534.db2.gz NQYZMLSYIJEJSR-UHFFFAOYSA-N -1 1 379.210 2.129 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CC1(Cl)Cl ZINC000125714045 643710234 /nfs/dbraw/zinc/71/02/34/643710234.db2.gz JQIIJJLLTXSFHJ-JTQLQIEISA-N -1 1 379.265 2.309 20 0 GEADMM CCC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000125800594 643710801 /nfs/dbraw/zinc/71/08/01/643710801.db2.gz JSOCSAYBJRLUQF-UHFFFAOYSA-N -1 1 378.491 2.446 20 0 GEADMM C[S@](=O)Cc1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000540249605 650861501 /nfs/dbraw/zinc/86/15/01/650861501.db2.gz UVKHFHHRWWUNIU-DEOSSOPVSA-N -1 1 384.454 2.328 20 0 GEADMM C[C@H](C(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127165302 643761218 /nfs/dbraw/zinc/76/12/18/643761218.db2.gz HWWWMHJKTXFQEJ-MRVPVSSYSA-N -1 1 399.270 2.246 20 0 GEADMM O=S(=O)([N-]c1ccn(-c2ncccc2C(F)(F)F)n1)N1CCCCC1 ZINC000130386712 643837806 /nfs/dbraw/zinc/83/78/06/643837806.db2.gz IDPWRDCHBTUVOT-UHFFFAOYSA-N -1 1 375.376 2.429 20 0 GEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2o1 ZINC000131252387 643868370 /nfs/dbraw/zinc/86/83/70/643868370.db2.gz MBNXSJMHTNRUIL-UHFFFAOYSA-N -1 1 384.410 2.480 20 0 GEADMM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131680611 643876985 /nfs/dbraw/zinc/87/69/85/643876985.db2.gz OYEOLRIALJXGKI-HNNXBMFYSA-N -1 1 384.860 2.457 20 0 GEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000131901406 643878950 /nfs/dbraw/zinc/87/89/50/643878950.db2.gz KARDWHOARMNEQA-UHFFFAOYSA-N -1 1 393.650 2.207 20 0 GEADMM NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC000133533830 643896265 /nfs/dbraw/zinc/89/62/65/643896265.db2.gz ANSVTNZBWZTSRT-UHFFFAOYSA-N -1 1 376.822 2.108 20 0 GEADMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151070205 643928914 /nfs/dbraw/zinc/92/89/14/643928914.db2.gz VESLJRGFJSLSRN-SNVBAGLBSA-N -1 1 386.823 2.358 20 0 GEADMM CCC[C@H](NC(=O)c1cccc(I)c1C)c1nn[n-]n1 ZINC000154597970 644054489 /nfs/dbraw/zinc/05/44/89/644054489.db2.gz YNDJJPAVWPYWJF-NSHDSACASA-N -1 1 385.209 2.384 20 0 GEADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ncccc1F ZINC000156770480 644116462 /nfs/dbraw/zinc/11/64/62/644116462.db2.gz AEMUWAPOCIWLAF-UHFFFAOYSA-N -1 1 390.190 2.370 20 0 GEADMM O=C(NNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000159892010 644195503 /nfs/dbraw/zinc/19/55/03/644195503.db2.gz VPBBUKZJIYHYCX-UHFFFAOYSA-N -1 1 386.183 2.199 20 0 GEADMM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000161464404 644210321 /nfs/dbraw/zinc/21/03/21/644210321.db2.gz UGFHKCSVTUSSBH-UHFFFAOYSA-N -1 1 379.829 2.114 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(Br)ccc2F)co1 ZINC000163339079 644254086 /nfs/dbraw/zinc/25/40/86/644254086.db2.gz CHEYKPSXANEDLP-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)S1 ZINC000176646397 644401705 /nfs/dbraw/zinc/40/17/05/644401705.db2.gz JNIIXMRGJDHDLR-SNVBAGLBSA-N -1 1 384.299 2.404 20 0 GEADMM CCC[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nn[n-]n1 ZINC000177651488 644422762 /nfs/dbraw/zinc/42/27/62/644422762.db2.gz RWXPXFLRYYWOJL-ZDUSSCGKSA-N -1 1 390.245 2.419 20 0 GEADMM CCC[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nn[n-]n1 ZINC000177651499 644422885 /nfs/dbraw/zinc/42/28/85/644422885.db2.gz RWXPXFLRYYWOJL-CYBMUJFWSA-N -1 1 390.245 2.419 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]2CCCC[C@H]12 ZINC000543911665 650927866 /nfs/dbraw/zinc/92/78/66/650927866.db2.gz AUBVSLIBTBCOIL-KYOSRNDESA-N -1 1 390.502 2.396 20 0 GEADMM O=C(CNC(=O)c1ccc(I)c([O-])c1)Nc1ccccc1 ZINC000544853111 650956325 /nfs/dbraw/zinc/95/63/25/650956325.db2.gz BUHHIAPVVNMYHD-UHFFFAOYSA-N -1 1 396.184 2.365 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccncc2N(C)C)no1 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CCc1ccccc1S(=O)(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000274960411 646337133 /nfs/dbraw/zinc/33/71/33/646337133.db2.gz AQIYWARCYDUMAG-UHFFFAOYSA-N -1 1 384.479 2.430 20 0 GEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CCOC)cc1 ZINC000274990957 646340113 /nfs/dbraw/zinc/34/01/13/646340113.db2.gz IIUOTACIHZPPSN-UHFFFAOYSA-N -1 1 383.491 2.470 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(C3(O)CCCCC3)s2)co1 ZINC000275021509 646342970 /nfs/dbraw/zinc/34/29/70/646342970.db2.gz OUUOSNGOJMDNBA-UHFFFAOYSA-N -1 1 385.467 2.048 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)cc1 ZINC000279866911 646634962 /nfs/dbraw/zinc/63/49/62/646634962.db2.gz GDDFYZKGFGSIBS-UHFFFAOYSA-N -1 1 384.479 2.021 20 0 GEADMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000287959994 646903447 /nfs/dbraw/zinc/90/34/47/646903447.db2.gz XEELYOCEDHUYEN-SSDOTTSWSA-N -1 1 391.291 2.178 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCNC(=O)C3)c2)c(C)s1 ZINC000292456638 647190901 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395.293 2.108 20 0 GEADMM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1cccc([O-])c1Br ZINC000908708277 654638290 /nfs/dbraw/zinc/63/82/90/654638290.db2.gz QJBVUDOFYDWTQB-INIZCTEOSA-N -1 1 381.226 2.015 20 0 GEADMM CC(C)(C)OC(=O)N1CC(O)(C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908706542 654638326 /nfs/dbraw/zinc/63/83/26/654638326.db2.gz DMLGUQHIDUEDNT-UHFFFAOYSA-N -1 1 387.230 2.075 20 0 GEADMM CSC[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000908768858 654639666 /nfs/dbraw/zinc/63/96/66/654639666.db2.gz NBMQKBBXKZOOOP-OAHLLOKOSA-N -1 1 385.917 2.420 20 0 GEADMM C[C@H](CN1CCOCC1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000908873156 654642981 /nfs/dbraw/zinc/64/29/81/654642981.db2.gz WRJINGHNKSPETN-IUODEOHRSA-N -1 1 399.285 2.049 20 0 GEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000908911230 654645299 /nfs/dbraw/zinc/64/52/99/654645299.db2.gz WYRUBALTTKRYAZ-TZMCWYRMSA-N -1 1 387.299 2.128 20 0 GEADMM O=C([O-])[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(Br)cc1 ZINC000908911205 654645307 /nfs/dbraw/zinc/64/53/07/654645307.db2.gz WMLLYPOWMDTZGX-HZMBPMFUSA-N -1 1 378.226 2.219 20 0 GEADMM CN(CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000908911228 654645359 /nfs/dbraw/zinc/64/53/59/654645359.db2.gz WYRUBALTTKRYAZ-JSGCOSHPSA-N -1 1 387.299 2.128 20 0 GEADMM CN1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)[O-] ZINC000909387729 654662493 /nfs/dbraw/zinc/66/24/93/654662493.db2.gz PAIHGTSKNJBFRL-KBPBESRZSA-N -1 1 394.269 2.137 20 0 GEADMM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cnc(I)c(O)c1 ZINC000909689349 654671294 /nfs/dbraw/zinc/67/12/94/654671294.db2.gz SZPINPXSEZEVGQ-CYBMUJFWSA-N -1 1 392.193 2.011 20 0 GEADMM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000909710937 654673060 /nfs/dbraw/zinc/67/30/60/654673060.db2.gz ZZLZTMSAORDUAT-INIZCTEOSA-N -1 1 396.241 2.279 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000909729688 654673819 /nfs/dbraw/zinc/67/38/19/654673819.db2.gz UTQFAANCFRIKRM-NSHDSACASA-N -1 1 399.260 2.270 20 0 GEADMM O=C([O-])[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1Br ZINC000909956401 654684733 /nfs/dbraw/zinc/68/47/33/654684733.db2.gz VREPKECKTNAXIM-YMTOWFKASA-N -1 1 378.226 2.219 20 0 GEADMM CCN(CC(=O)N[C@]1(C(=O)[O-])CCc2cc(Br)ccc2C1)C1CC1 ZINC000910228978 654693348 /nfs/dbraw/zinc/69/33/48/654693348.db2.gz MVCRRJLQALFVCI-GOSISDBHSA-N -1 1 395.297 2.362 20 0 GEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000910379806 654698274 /nfs/dbraw/zinc/69/82/74/654698274.db2.gz GPGPILYTPNFGAU-GXTWGEPZSA-N -1 1 376.400 2.385 20 0 GEADMM C[C@@H](CN1CCOCC1)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910710750 654707677 /nfs/dbraw/zinc/70/76/77/654707677.db2.gz SJRMYIDBBHDOEK-WFASDCNBSA-N -1 1 399.285 2.002 20 0 GEADMM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)C(=O)c2cc(C)[nH]n2)c1 ZINC000910768111 654710054 /nfs/dbraw/zinc/71/00/54/654710054.db2.gz WEQXFZUZXWXWQB-CYBMUJFWSA-N -1 1 382.214 2.387 20 0 GEADMM C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C[C@H]1CC(=O)[O-] ZINC000910862525 654712974 /nfs/dbraw/zinc/71/29/74/654712974.db2.gz VBQWADARCSVREP-NXEZZACHSA-N -1 1 393.237 2.473 20 0 GEADMM C[C@H](CN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(=O)c1ccc([O-])cc1 ZINC000930929015 654723730 /nfs/dbraw/zinc/72/37/30/654723730.db2.gz WFWNJOWFHVSQOQ-SWHYSGLUSA-N -1 1 379.400 2.118 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000912527885 654758413 /nfs/dbraw/zinc/75/84/13/654758413.db2.gz IVWQYRTVDUFRKT-QMMMGPOBSA-N -1 1 377.344 2.255 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1F ZINC000912547576 654759366 /nfs/dbraw/zinc/75/93/66/654759366.db2.gz MEEHTWIONWVFJH-UHFFFAOYSA-N -1 1 375.809 2.202 20 0 GEADMM CSCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nn[n-]n1 ZINC000912859652 654771574 /nfs/dbraw/zinc/77/15/74/654771574.db2.gz BKCMVWFIJAEMQJ-JTQLQIEISA-N -1 1 376.269 2.496 20 0 GEADMM CSCC[C@H](NC(=O)c1cnc(Cl)c(Br)c1)c1nn[n-]n1 ZINC000912862131 654771885 /nfs/dbraw/zinc/77/18/85/654771885.db2.gz JDHWZBJWDOFIFJ-QMMMGPOBSA-N -1 1 391.682 2.235 20 0 GEADMM COc1cc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)ccc1C(F)(F)F ZINC000912863480 654772268 /nfs/dbraw/zinc/77/22/68/654772268.db2.gz ZGIIWKPWLWIQIL-JTQLQIEISA-N -1 1 375.376 2.451 20 0 GEADMM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494227 654795761 /nfs/dbraw/zinc/79/57/61/654795761.db2.gz BBURJVGHNCVGBW-VIFPVBQESA-N -1 1 396.885 2.181 20 0 GEADMM C[C@@H](CC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000913497002 654796124 /nfs/dbraw/zinc/79/61/24/654796124.db2.gz GLNXSMJIRALZFB-ZANVPECISA-N -1 1 398.236 2.195 20 0 GEADMM CC[C@H](Cc1ccccc1Br)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496415 654796227 /nfs/dbraw/zinc/79/62/27/654796227.db2.gz ZOEWBRYRTWUYND-RISCZKNCSA-N -1 1 394.273 2.131 20 0 GEADMM O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742663 654807170 /nfs/dbraw/zinc/80/71/70/654807170.db2.gz OQOHBJQYTRGLQW-UHFFFAOYSA-N -1 1 390.241 2.144 20 0 GEADMM COc1c(Br)c(C)sc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742922 654807254 /nfs/dbraw/zinc/80/72/54/654807254.db2.gz IIYFGLCNSNXXFL-UHFFFAOYSA-N -1 1 386.275 2.361 20 0 GEADMM Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)c(Br)c1 ZINC000913743515 654807306 /nfs/dbraw/zinc/80/73/06/654807306.db2.gz YWFVBIBFBQVHBH-LLVKDONJSA-N -1 1 394.273 2.444 20 0 GEADMM CO[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1Br ZINC000913745438 654807567 /nfs/dbraw/zinc/80/75/67/654807567.db2.gz DYTZEESOFOXEQI-CYBMUJFWSA-N -1 1 380.246 2.056 20 0 GEADMM O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913745959 654807605 /nfs/dbraw/zinc/80/76/05/654807605.db2.gz IIYMBORVDNOXBI-LBPRGKRZSA-N -1 1 392.257 2.235 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)c1F ZINC000913903777 654815068 /nfs/dbraw/zinc/81/50/68/654815068.db2.gz SCFLQIOVRPGDAI-SCZZXKLOSA-N -1 1 382.251 2.443 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)c1F ZINC000913903778 654815120 /nfs/dbraw/zinc/81/51/20/654815120.db2.gz SCFLQIOVRPGDAI-WCBMZHEXSA-N -1 1 382.251 2.443 20 0 GEADMM O=S(=O)(NC[C@H]1CC[N@H+](C2CC2)C1)c1c([O-])cccc1OC(F)(F)F ZINC000913912836 654815538 /nfs/dbraw/zinc/81/55/38/654815538.db2.gz JQEFUCJXXSBICD-SNVBAGLBSA-N -1 1 380.388 2.053 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](O)C2)c1F ZINC000913935754 654817004 /nfs/dbraw/zinc/81/70/04/654817004.db2.gz VITHVGSIFZCUIH-BDAKNGLRSA-N -1 1 382.251 2.179 20 0 GEADMM O=S(=O)(Cc1ccsc1Br)[N-]Cc1nc(C2CC2)no1 ZINC000913947301 654817962 /nfs/dbraw/zinc/81/79/62/654817962.db2.gz XQQLSYAWQBGFBA-UHFFFAOYSA-N -1 1 378.273 2.391 20 0 GEADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000913966774 654819029 /nfs/dbraw/zinc/81/90/29/654819029.db2.gz RFUOMSNDHNOMMC-DTWKUNHWSA-N -1 1 391.291 2.213 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CN1C1CC1 ZINC000914237285 654837688 /nfs/dbraw/zinc/83/76/88/654837688.db2.gz RWINTJJCHISDOR-ZJUUUORDSA-N -1 1 380.388 2.194 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c1F ZINC000914290404 654842433 /nfs/dbraw/zinc/84/24/33/654842433.db2.gz ONNOBIUKJOBRSQ-SECBINFHSA-N -1 1 382.251 2.036 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C)C2)c1F ZINC000914318705 654844846 /nfs/dbraw/zinc/84/48/46/654844846.db2.gz WRCRVLFOWDVEKM-DTWKUNHWSA-N -1 1 382.251 2.443 20 0 GEADMM CN1CC=C(C[N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000914333244 654846244 /nfs/dbraw/zinc/84/62/44/654846244.db2.gz UMMLWHDIIOTOCA-XMMPIXPASA-N -1 1 397.444 2.130 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)c1F ZINC000914358244 654848081 /nfs/dbraw/zinc/84/80/81/654848081.db2.gz FJNAQOQZANANDL-AMIZOPFISA-N -1 1 382.251 2.443 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CO)C(C)(C)C)c1F ZINC000914426599 654853541 /nfs/dbraw/zinc/85/35/41/654853541.db2.gz METWRRAENKVXKT-JTQLQIEISA-N -1 1 384.267 2.282 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)c1F ZINC000914425397 654853608 /nfs/dbraw/zinc/85/36/08/654853608.db2.gz WLDDJZSIMLDXAM-DTWKUNHWSA-N -1 1 382.251 2.036 20 0 GEADMM Cc1nn(CC(F)F)cc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000935231551 654882432 /nfs/dbraw/zinc/88/24/32/654882432.db2.gz HVQMUVVEHDPSCA-UHFFFAOYSA-N -1 1 376.360 2.220 20 0 GEADMM C[C@@H](CN(C)C(=O)c1nccc2c(Br)cccc21)c1nn[n-]n1 ZINC000935365120 654889640 /nfs/dbraw/zinc/88/96/40/654889640.db2.gz CLQBIAIEMYLSCF-VIFPVBQESA-N -1 1 375.230 2.386 20 0 GEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1nc(Cl)cs1 ZINC000999573284 654953761 /nfs/dbraw/zinc/95/37/61/654953761.db2.gz SPIGRJYXHVLLNI-UTLUCORTSA-N -1 1 378.841 2.073 20 0 GEADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CC1 ZINC000152217662 531539463 /nfs/dbraw/zinc/53/94/63/531539463.db2.gz DGEVTWNHCNNOHM-UHFFFAOYSA-N -1 1 383.905 2.016 20 0 GEADMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000007725818 531542354 /nfs/dbraw/zinc/54/23/54/531542354.db2.gz QAXLEPDKKXDMDY-UHFFFAOYSA-N -1 1 382.825 2.044 20 0 GEADMM CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)cc1 ZINC000013278975 531560811 /nfs/dbraw/zinc/56/08/11/531560811.db2.gz OVDXXSAYJQXQNJ-UHFFFAOYSA-N -1 1 380.447 2.267 20 0 GEADMM O=C([N-]OCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000152597635 531561135 /nfs/dbraw/zinc/56/11/35/531561135.db2.gz AQBPQRHZSRAAPE-CYBMUJFWSA-N -1 1 390.237 2.445 20 0 GEADMM C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000153940379 531614640 /nfs/dbraw/zinc/61/46/40/531614640.db2.gz IZPCZXSOTQBHPD-NXEZZACHSA-N -1 1 375.206 2.230 20 0 GEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1 ZINC000028259178 531631758 /nfs/dbraw/zinc/63/17/58/531631758.db2.gz XXRIEBWMXPEAKX-UHFFFAOYSA-N -1 1 382.825 2.335 20 0 GEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)c1 ZINC000031720894 531645451 /nfs/dbraw/zinc/64/54/51/531645451.db2.gz FQRXKPUTTXIWIE-UHFFFAOYSA-N -1 1 382.825 2.335 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)co1 ZINC000155373915 531680097 /nfs/dbraw/zinc/68/00/97/531680097.db2.gz RQONIHVPXLHIFQ-LBPRGKRZSA-N -1 1 382.463 2.127 20 0 GEADMM O=S(=O)([N-]CCCOC[C@H]1CCCO1)c1sccc1Br ZINC000048444270 531732616 /nfs/dbraw/zinc/73/26/16/531732616.db2.gz UECRLKPMPJUMBP-SNVBAGLBSA-N -1 1 384.317 2.375 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2C(F)(F)F)o1 ZINC000054196858 531775506 /nfs/dbraw/zinc/77/55/06/531775506.db2.gz UUTKCDNOKREDCC-UHFFFAOYSA-N -1 1 376.356 2.179 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1S(N)(=O)=O ZINC000055565203 531793344 /nfs/dbraw/zinc/79/33/44/531793344.db2.gz GWEKMOYSMXCYPV-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM COc1ccc(C(=O)NCCNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000055566024 531793779 /nfs/dbraw/zinc/79/37/79/531793779.db2.gz NNLZKAYQBLLNBT-UHFFFAOYSA-N -1 1 393.237 2.323 20 0 GEADMM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000163220186 531855190 /nfs/dbraw/zinc/85/51/90/531855190.db2.gz OXPUMGYGVZFLJD-MRVPVSSYSA-N -1 1 393.836 2.460 20 0 GEADMM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[N-]O[C@@H]3CCCCO3)C2)s1 ZINC000060332342 531841788 /nfs/dbraw/zinc/84/17/88/531841788.db2.gz HOHCTZYWFWHGHE-UONOGXRCSA-N -1 1 388.511 2.032 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000071848801 531914582 /nfs/dbraw/zinc/91/45/82/531914582.db2.gz RPGULUHZZHMRMC-UHFFFAOYSA-N -1 1 394.396 2.414 20 0 GEADMM O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000171996887 531928250 /nfs/dbraw/zinc/92/82/50/531928250.db2.gz VLLDPZDKLGGAGS-UHFFFAOYSA-N -1 1 382.816 2.040 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1nc(-c2ccccc2)no1 ZINC000120980684 532005706 /nfs/dbraw/zinc/00/57/06/532005706.db2.gz OPYZMFVVVFNERA-JTQLQIEISA-N -1 1 381.845 2.206 20 0 GEADMM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C2CC2)s1 ZINC000173486105 532014692 /nfs/dbraw/zinc/01/46/92/532014692.db2.gz NADJKLAFJNEADH-CQSZACIVSA-N -1 1 386.520 2.285 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)ccc1N(C)C ZINC000121173110 532017372 /nfs/dbraw/zinc/01/73/72/532017372.db2.gz FFXIFTWIVZXYGG-UHFFFAOYSA-N -1 1 386.470 2.404 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1 ZINC000121348433 532025345 /nfs/dbraw/zinc/02/53/45/532025345.db2.gz BEFBWORRVICLFE-UHFFFAOYSA-N -1 1 379.463 2.466 20 0 GEADMM CN1C(=O)C[C@@H](C(=O)Nc2nc(Br)ccc2[O-])[C@H]1c1cccnc1 ZINC000121553895 532033830 /nfs/dbraw/zinc/03/38/30/532033830.db2.gz KJDBYGSILNHNHJ-QMTHXVAHSA-N -1 1 391.225 2.103 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000174899516 532082585 /nfs/dbraw/zinc/08/25/85/532082585.db2.gz LVCYGLPUCFBZBX-UHFFFAOYSA-N -1 1 398.941 2.473 20 0 GEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CN1C1CC1 ZINC000175285983 532097047 /nfs/dbraw/zinc/09/70/47/532097047.db2.gz MJVRGENWIDOWBR-MRVPVSSYSA-N -1 1 382.791 2.400 20 0 GEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)n[n-]1 ZINC000175634041 532110253 /nfs/dbraw/zinc/11/02/53/532110253.db2.gz CQMNKDPIUNHMDB-UHFFFAOYSA-N -1 1 396.778 2.452 20 0 GEADMM Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000124560208 532124431 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CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000179767168 532242872 /nfs/dbraw/zinc/24/28/72/532242872.db2.gz QVXGRFLHYHGUBA-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000135357290 532271160 /nfs/dbraw/zinc/27/11/60/532271160.db2.gz RXUPKUBIWVDZNN-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000181033045 532288863 /nfs/dbraw/zinc/28/88/63/532288863.db2.gz YBHNUDCRZQVFAH-UHFFFAOYSA-N -1 1 379.825 2.356 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Br)s2)c1 ZINC000181027832 532289101 /nfs/dbraw/zinc/28/91/01/532289101.db2.gz VVYOMBBGFTXVCH-UHFFFAOYSA-N -1 1 391.268 2.045 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1 ZINC000181161860 532292121 /nfs/dbraw/zinc/29/21/21/532292121.db2.gz JTOJQXRFKMNXIZ-UHFFFAOYSA-N -1 1 380.491 2.273 20 0 GEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000149645454 532299686 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CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2sccc2Br)C1(C)C ZINC000188471191 532348431 /nfs/dbraw/zinc/34/84/31/532348431.db2.gz KXQQJZDUFYDDFQ-MFKMUULPSA-N -1 1 398.344 2.355 20 0 GEADMM O=S(=O)([N-][C@H]1CCC[C@H]1CCO)c1cc(Br)cnc1Cl ZINC000188933229 532350330 /nfs/dbraw/zinc/35/03/30/532350330.db2.gz YZBYPXPVNMGLNB-WPRPVWTQSA-N -1 1 383.695 2.327 20 0 GEADMM CCc1c([N-]S(=O)(=O)CCOCCOC)cnn1-c1ccccc1Cl ZINC000189449437 532352325 /nfs/dbraw/zinc/35/23/25/532352325.db2.gz MJYUCWHAIQPUTH-UHFFFAOYSA-N -1 1 387.889 2.493 20 0 GEADMM CO[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])CC[C@@H]1C ZINC000189822222 532353776 /nfs/dbraw/zinc/35/37/76/532353776.db2.gz JRLRCZBNNNWDQQ-TVQRCGJNSA-N -1 1 375.206 2.494 20 0 GEADMM CN1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCC1=O ZINC000190760463 532357879 /nfs/dbraw/zinc/35/78/79/532357879.db2.gz WPVUGOJJTLIWHJ-SSDOTTSWSA-N -1 1 399.669 2.141 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)NCC1CC1 ZINC000190874601 532358542 /nfs/dbraw/zinc/35/85/42/532358542.db2.gz 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392.253 2.408 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]Cc1nnc(SC)s1)c1ccc(F)cc1 ZINC000625145799 532413023 /nfs/dbraw/zinc/41/30/23/532413023.db2.gz JFIUUERHJBTWKG-NSHDSACASA-N -1 1 377.488 2.206 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(CS(N)(=O)=O)cc3)cc2s1 ZINC000427112168 532410684 /nfs/dbraw/zinc/41/06/84/532410684.db2.gz ZVRRVAHKGCUFML-UHFFFAOYSA-N -1 1 397.503 2.194 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)NCC(F)(F)F ZINC000280577124 532414337 /nfs/dbraw/zinc/41/43/37/532414337.db2.gz MHLGSKSCKIVPGQ-UHFFFAOYSA-N -1 1 383.150 2.089 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cnc1C ZINC000427221169 532415969 /nfs/dbraw/zinc/41/59/69/532415969.db2.gz YIZZCSUQJYIOBA-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM CCN(CCNC(=O)c1ccccc1[N-]S(C)(=O)=O)CCC(F)(F)F ZINC000427274221 532419036 /nfs/dbraw/zinc/41/90/36/532419036.db2.gz LIODLCWRNNZQQQ-UHFFFAOYSA-N -1 1 381.420 2.062 20 0 GEADMM COC(=O)c1ccc(F)c([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)c1 ZINC000517652440 532422229 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O=C(NCC[C@@H](O)C(F)(F)F)c1cc(I)ccc1[O-] ZINC000436486614 532635880 /nfs/dbraw/zinc/63/58/80/532635880.db2.gz IZQPYSUDKUFODE-SECBINFHSA-N -1 1 389.111 2.040 20 0 GEADMM COC(=O)c1ccc([O-])c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000436501779 532635894 /nfs/dbraw/zinc/63/58/94/532635894.db2.gz APFINAONPALRFS-UHFFFAOYSA-N -1 1 383.809 2.245 20 0 GEADMM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)no1 ZINC000567027369 532637295 /nfs/dbraw/zinc/63/72/95/532637295.db2.gz OCZKPYQPWFJYOB-UHFFFAOYSA-N -1 1 378.328 2.092 20 0 GEADMM C[C@](O)(CNC(=O)c1cc(I)ccc1[O-])C(F)(F)F ZINC000436585299 532639504 /nfs/dbraw/zinc/63/95/04/532639504.db2.gz SDNSXQAAELZCOI-JTQLQIEISA-N -1 1 389.111 2.040 20 0 GEADMM CN(C)c1ccc(CNC(=O)c2cc(I)ccc2[O-])cn1 ZINC000436675798 532641506 /nfs/dbraw/zinc/64/15/06/532641506.db2.gz XXCGQLXRQHLVOZ-UHFFFAOYSA-N -1 1 397.216 2.388 20 0 GEADMM O=C(Nc1cc2n(n1)CCCC2)c1cc(I)ccc1[O-] ZINC000436704033 532641758 /nfs/dbraw/zinc/64/17/58/532641758.db2.gz IVEBDBCNRIIDFF-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/68/79/98/532687998.db2.gz GYUPERZIWKXYMI-UHFFFAOYSA-N -1 1 378.435 2.445 20 0 GEADMM Cn1nc(C2CC2)nc1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000569003955 532687954 /nfs/dbraw/zinc/68/79/54/532687954.db2.gz WSRWQBBXENSXQN-UHFFFAOYSA-N -1 1 378.845 2.105 20 0 GEADMM Cn1nc(C2CC2)nc1CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000569003955 532687962 /nfs/dbraw/zinc/68/79/62/532687962.db2.gz WSRWQBBXENSXQN-UHFFFAOYSA-N -1 1 378.845 2.105 20 0 GEADMM O=S(=O)([N-]Cc1nnnn1C1CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000608044318 532710318 /nfs/dbraw/zinc/71/03/18/532710318.db2.gz QFFKFPMXFMMSFW-UHFFFAOYSA-N -1 1 382.660 2.447 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]C(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000490467082 532711337 /nfs/dbraw/zinc/71/13/37/532711337.db2.gz ARFCNXVNJKCAPE-UHFFFAOYSA-N -1 1 382.316 2.287 20 0 GEADMM CCOC(=O)[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCOCC1 ZINC000497401985 532723233 /nfs/dbraw/zinc/72/32/33/532723233.db2.gz ALFDMWHJMACLLY-CQSZACIVSA-N -1 1 386.242 2.243 20 0 GEADMM Cc1cnc(N)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000539114837 532723504 /nfs/dbraw/zinc/72/35/04/532723504.db2.gz KSPWHSJLDOJDPG-UHFFFAOYSA-N -1 1 375.328 2.490 20 0 GEADMM CCN(C)S(=O)(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000266790776 532724151 /nfs/dbraw/zinc/72/41/51/532724151.db2.gz PGLYNGLKFWXEMQ-UHFFFAOYSA-N -1 1 383.495 2.404 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCCSC1 ZINC000576198928 532726334 /nfs/dbraw/zinc/72/63/34/532726334.db2.gz FFZHXCKXTUNYKM-VIFPVBQESA-N -1 1 383.322 2.284 20 0 GEADMM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc(F)cc1F ZINC000443231797 532743585 /nfs/dbraw/zinc/74/35/85/532743585.db2.gz QRVSFAMOAVFRAR-ZFWWWQNUSA-N -1 1 377.359 2.480 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCS(C)(=O)=O)c2)cc1F ZINC000299642625 532733296 /nfs/dbraw/zinc/73/32/96/532733296.db2.gz VLINVAVCPIQSAT-UHFFFAOYSA-N -1 1 387.454 2.358 20 0 GEADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410380118 532737966 /nfs/dbraw/zinc/73/79/66/532737966.db2.gz HCONVRSFBJXSQR-HSZRJFAPSA-N -1 1 386.882 2.118 20 0 GEADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410380119 532738733 /nfs/dbraw/zinc/73/87/33/532738733.db2.gz HCONVRSFBJXSQR-QHCPKHFHSA-N -1 1 386.882 2.118 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)c1nc(C(C)(C)C)no1 ZINC000541212086 532750474 /nfs/dbraw/zinc/75/04/74/532750474.db2.gz VDVROPKQZZJIAI-MRVPVSSYSA-N -1 1 386.861 2.159 20 0 GEADMM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(=O)[nH]1 ZINC000541314147 532751478 /nfs/dbraw/zinc/75/14/78/532751478.db2.gz VGHOEFCOOVHOLU-UHFFFAOYSA-N -1 1 394.197 2.010 20 0 GEADMM COC[C@H](CCNC(=O)c1c([O-])cnc2c(Br)cccc21)OC ZINC000617241794 532752964 /nfs/dbraw/zinc/75/29/64/532752964.db2.gz NOQGFKOPAXFSEC-JTQLQIEISA-N -1 1 383.242 2.484 20 0 GEADMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1=O ZINC000286921372 532774967 /nfs/dbraw/zinc/77/49/67/532774967.db2.gz PDTWDRQDLQPKLG-JTQLQIEISA-N -1 1 384.351 2.012 20 0 GEADMM O=C(c1ccc(Br)c([O-])c1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000452619676 532775438 /nfs/dbraw/zinc/77/54/38/532775438.db2.gz FHYBWLATMALZHE-UHFFFAOYSA-N -1 1 381.148 2.349 20 0 GEADMM C[C@@H]1[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000287008217 532779372 /nfs/dbraw/zinc/77/93/72/532779372.db2.gz FNRACLGVZNZHSV-DOMZBBRYSA-N -1 1 380.491 2.388 20 0 GEADMM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000509378388 532767567 /nfs/dbraw/zinc/76/75/67/532767567.db2.gz KOCAELGCWHIKAF-UHFFFAOYSA-N -1 1 388.232 2.218 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCOCC1CC1 ZINC000509400904 532769046 /nfs/dbraw/zinc/76/90/46/532769046.db2.gz QZIJNQHIIMIWIY-UHFFFAOYSA-N -1 1 382.265 2.485 20 0 GEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)n1 ZINC000584571270 532769476 /nfs/dbraw/zinc/76/94/76/532769476.db2.gz SEZRKWVXYWVAER-JTQLQIEISA-N -1 1 386.861 2.237 20 0 GEADMM O=C(Nc1nc2n(n1)CCCC2)c1cc(I)ccc1[O-] ZINC000457137625 532787817 /nfs/dbraw/zinc/78/78/17/532787817.db2.gz DVZVYAFTEXRKGP-UHFFFAOYSA-N -1 1 384.177 2.177 20 0 GEADMM CCc1ncc(S(=O)(=O)[N-]c2cccc(CN3CCN(C)CC3)c2)s1 ZINC000548695070 532793173 /nfs/dbraw/zinc/79/31/73/532793173.db2.gz RMWYJDJEFFXBIG-UHFFFAOYSA-N -1 1 380.539 2.254 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(Br)n1C ZINC000287398574 532793500 /nfs/dbraw/zinc/79/35/00/532793500.db2.gz OIEYEQPEPSEJOF-NWDGAFQWSA-N -1 1 388.262 2.465 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CS1 ZINC000412571037 532795453 /nfs/dbraw/zinc/79/54/53/532795453.db2.gz KEBHEXCWLBZJCO-BDAKNGLRSA-N -1 1 383.322 2.282 20 0 GEADMM O=S(=O)([N-]Cc1ccc(-n2cncn2)cc1)c1ccc(Br)o1 ZINC000514972587 532781602 /nfs/dbraw/zinc/78/16/02/532781602.db2.gz NIQHZVQFAPQPSD-UHFFFAOYSA-N -1 1 383.227 2.101 20 0 GEADMM NC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)Cc1ccc(F)cc1 ZINC000556360535 532810130 /nfs/dbraw/zinc/81/01/30/532810130.db2.gz AARPWZSBVKOYCJ-NSHDSACASA-N -1 1 388.823 2.241 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000328751120 532797286 /nfs/dbraw/zinc/79/72/86/532797286.db2.gz MYAKNUBXQXFKLJ-NDMJEZRESA-N -1 1 379.404 2.065 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c(C(F)(F)F)n1 ZINC000328792576 532797651 /nfs/dbraw/zinc/79/76/51/532797651.db2.gz ZURAGUYSPBCVNS-JTQLQIEISA-N -1 1 399.460 2.162 20 0 GEADMM O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000551915085 532802666 /nfs/dbraw/zinc/80/26/66/532802666.db2.gz LFHZNKCBOLXWSU-JTQLQIEISA-N -1 1 384.198 2.259 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Br)cc2[nH]cnc21 ZINC000554568426 532804841 /nfs/dbraw/zinc/80/48/41/532804841.db2.gz JBRMMMDNWAYUOR-UHFFFAOYSA-N -1 1 376.218 2.038 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(Br)n1C ZINC000288079590 532816656 /nfs/dbraw/zinc/81/66/56/532816656.db2.gz JTLLDDZTUKDQFJ-FRRDWIJNSA-N -1 1 382.283 2.108 20 0 GEADMM CC(C)CNC(=O)CCCS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000414220044 532820656 /nfs/dbraw/zinc/82/06/56/532820656.db2.gz ITDFSIJDAXBDLL-UHFFFAOYSA-N -1 1 384.889 2.451 20 0 GEADMM CC(C)CNC(=O)CCCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000414220044 532820659 /nfs/dbraw/zinc/82/06/59/532820659.db2.gz ITDFSIJDAXBDLL-UHFFFAOYSA-N -1 1 384.889 2.451 20 0 GEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n[n-]1 ZINC000414223046 532820684 /nfs/dbraw/zinc/82/06/84/532820684.db2.gz OIFNBIYEAPABFF-UHFFFAOYSA-N -1 1 394.787 2.034 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc([C@H](C)O)cc2)c(Br)n1C ZINC000288245138 532821611 /nfs/dbraw/zinc/82/16/11/532821611.db2.gz SPOJIJGMPCKEIF-VIFPVBQESA-N -1 1 388.287 2.023 20 0 GEADMM COC(=O)c1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1Br ZINC000414384044 532823325 /nfs/dbraw/zinc/82/33/25/532823325.db2.gz SAEPWACINCKTKY-UHFFFAOYSA-N -1 1 380.260 2.402 20 0 GEADMM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000288309841 532824464 /nfs/dbraw/zinc/82/44/64/532824464.db2.gz HOMFYHDIBCRMDH-SNVBAGLBSA-N -1 1 381.767 2.139 20 0 GEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)s1 ZINC000273616615 532828445 /nfs/dbraw/zinc/82/84/45/532828445.db2.gz PWMNDAPEBUUNSB-SSDOTTSWSA-N -1 1 375.859 2.311 20 0 GEADMM CC[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000288534763 532830424 /nfs/dbraw/zinc/83/04/24/532830424.db2.gz DCQBZKFFDUPKJV-MWLCHTKSSA-N -1 1 376.272 2.192 20 0 GEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(Cc2c(F)cccc2Cl)no1 ZINC000273670861 532830470 /nfs/dbraw/zinc/83/04/70/532830470.db2.gz JIHQHJHWSJSIRC-UHFFFAOYSA-N -1 1 391.852 2.297 20 0 GEADMM C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000288773807 532837459 /nfs/dbraw/zinc/83/74/59/532837459.db2.gz BFWDZUDHMGNPKF-QWRGUYRKSA-N -1 1 394.273 2.067 20 0 GEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1nnc2ccccn21 ZINC000359997089 209212112 /nfs/dbraw/zinc/21/21/12/209212112.db2.gz IWBPUBXISIQJII-UHFFFAOYSA-N -1 1 375.392 2.167 20 0 GEADMM Cc1occc1C(=O)N1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000359954942 209206174 /nfs/dbraw/zinc/20/61/74/209206174.db2.gz GECGFSMHJOVUKD-UHFFFAOYSA-N -1 1 384.404 2.449 20 0 GEADMM O=S(=O)([N-]CCc1cn2c(n1)SCC2)c1sccc1Br ZINC000274244519 532846130 /nfs/dbraw/zinc/84/61/30/532846130.db2.gz DRJPUJVQRVGMAS-UHFFFAOYSA-N -1 1 394.341 2.334 20 0 GEADMM CS(=O)(=O)[C@H]1CCCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000332223928 532849995 /nfs/dbraw/zinc/84/99/95/532849995.db2.gz LJJAVPWLLIQAKL-NSHDSACASA-N -1 1 376.272 2.194 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Br)cnc2N(C)C)n1 ZINC000415633069 532851860 /nfs/dbraw/zinc/85/18/60/532851860.db2.gz HFKJDNLQTGRMHJ-UHFFFAOYSA-N -1 1 382.218 2.062 20 0 GEADMM O=c1nc([C@H]2CCCN(Cc3cc4c(cc3Br)OCCO4)C2)[nH][n-]1 ZINC000289365092 532853559 /nfs/dbraw/zinc/85/35/59/532853559.db2.gz HTWFEWHYCDJBBE-JTQLQIEISA-N -1 1 395.257 2.011 20 0 GEADMM Cc1cc(Br)ccc1NC(=O)CN1CCCC[C@H]1c1nc(=O)[n-][nH]1 ZINC000289412700 532853866 /nfs/dbraw/zinc/85/38/66/532853866.db2.gz TXUFIEBYDTVYDF-ZDUSSCGKSA-N -1 1 394.273 2.335 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)s1 ZINC000289457928 532855717 /nfs/dbraw/zinc/85/57/17/532855717.db2.gz GOIIUUIQEWZANG-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc3nsnc32)no1 ZINC000289487211 532856053 /nfs/dbraw/zinc/85/60/53/532856053.db2.gz JKAWWYFJTBGETO-VIFPVBQESA-N -1 1 383.455 2.039 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCSCC1 ZINC000289602304 532860500 /nfs/dbraw/zinc/86/05/00/532860500.db2.gz VAJZJYAIRUAXIZ-UHFFFAOYSA-N -1 1 383.322 2.237 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000332916282 532862409 /nfs/dbraw/zinc/86/24/09/532862409.db2.gz AQOFMNXUNSYZHJ-PWSUYJOCSA-N -1 1 389.543 2.014 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3Cl)C2)sc1C ZINC000333291502 532866556 /nfs/dbraw/zinc/86/65/56/532866556.db2.gz ROAIKEKXSJLOOF-LLVKDONJSA-N -1 1 385.898 2.497 20 0 GEADMM CSC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000290394611 532879653 /nfs/dbraw/zinc/87/96/53/532879653.db2.gz JRTMNJTZQQYYKR-UHFFFAOYSA-N -1 1 383.322 2.284 20 0 GEADMM CN(CC1CCCCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349519755 532882239 /nfs/dbraw/zinc/88/22/39/532882239.db2.gz QBISRCOTYBDFEZ-UHFFFAOYSA-N -1 1 389.543 2.055 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000349560018 532882977 /nfs/dbraw/zinc/88/29/77/532882977.db2.gz ACHKKZKFVXMSBO-UKRRQHHQSA-N -1 1 389.543 2.020 20 0 GEADMM CC1(C)CC[C@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349595154 532883525 /nfs/dbraw/zinc/88/35/25/532883525.db2.gz WXMLFWJDBIORJE-AWEZNQCLSA-N -1 1 389.543 2.102 20 0 GEADMM CN(C)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)[nH]1 ZINC000417581778 532880326 /nfs/dbraw/zinc/88/03/26/532880326.db2.gz IQUTYPZDFFUZAJ-CQSZACIVSA-N -1 1 380.242 2.395 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1ccc(F)c(C)c1 ZINC000420687997 532885395 /nfs/dbraw/zinc/88/53/95/532885395.db2.gz KPGWGDQLJYGNKP-GDBMZVCRSA-N -1 1 375.462 2.329 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC[C@@H]1CCCCO1 ZINC000290719656 532887522 /nfs/dbraw/zinc/88/75/22/532887522.db2.gz NDIPPJYIZBALOH-NSHDSACASA-N -1 1 395.308 2.347 20 0 GEADMM CC[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)OC)c1)OC ZINC000421146637 532888719 /nfs/dbraw/zinc/88/87/19/532888719.db2.gz FCLJRHNLCBTCJO-SNVBAGLBSA-N -1 1 380.260 2.402 20 0 GEADMM Cn1nccc1[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)C(=O)[O-] ZINC000424617964 532896522 /nfs/dbraw/zinc/89/65/22/532896522.db2.gz JFDWDXUIVVQZPR-CQSZACIVSA-N -1 1 396.241 2.259 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CN2CCCC[C@H]2CO1)c1sccc1Br ZINC000363149774 532897287 /nfs/dbraw/zinc/89/72/87/532897287.db2.gz GCDOVCAAOMQOBC-WDEREUQCSA-N -1 1 395.344 2.042 20 0 GEADMM CN(C)C(=O)[C@@H]1CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291428681 532901742 /nfs/dbraw/zinc/90/17/42/532901742.db2.gz HNRQHKFUQLJVEI-LBPRGKRZSA-N -1 1 392.253 2.396 20 0 GEADMM C[C@H]1C[C@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)c2ccsc2S1(=O)=O ZINC000292023750 532911919 /nfs/dbraw/zinc/91/19/19/532911919.db2.gz OVYLGJMGERRVNY-KWQFWETISA-N -1 1 394.503 2.117 20 0 GEADMM C[NH+](C)C[C@H]1CN(C(=O)CSc2n[nH]c(=S)s2)c2ccccc2O1 ZINC000366170922 532914882 /nfs/dbraw/zinc/91/48/82/532914882.db2.gz HSTIIZBVEBNTIO-JTQLQIEISA-N -1 1 382.536 2.275 20 0 GEADMM Cc1nnc([C@@H](C)NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000292402839 532916047 /nfs/dbraw/zinc/91/60/47/532916047.db2.gz NADVNPZGIJFLCR-PSASIEDQSA-N -1 1 379.408 2.008 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000366066602 532914281 /nfs/dbraw/zinc/91/42/81/532914281.db2.gz JFRHUYGSLQRSMS-JTQLQIEISA-N -1 1 379.873 2.270 20 0 GEADMM Cn1ncc(Cl)c1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366577487 532919116 /nfs/dbraw/zinc/91/91/16/532919116.db2.gz IAQSKRVSQIVJGM-UHFFFAOYSA-N -1 1 383.857 2.063 20 0 GEADMM Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(Br)c1 ZINC000366732284 532920701 /nfs/dbraw/zinc/92/07/01/532920701.db2.gz MVEFCYXPWSDVNX-NEPJUHHUSA-N -1 1 394.273 2.444 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)c2ccccc2Cl)c(C(F)(F)F)n1 ZINC000293025145 532921392 /nfs/dbraw/zinc/92/13/92/532921392.db2.gz IQBBMRJLFQZPNF-ZDUSSCGKSA-N -1 1 397.806 2.278 20 0 GEADMM COc1ccc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)c(Cl)c1OC ZINC000293065721 532921714 /nfs/dbraw/zinc/92/17/14/532921714.db2.gz LKSPVCXVCFZGMN-UHFFFAOYSA-N -1 1 394.280 2.265 20 0 GEADMM CCOCCS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000367242371 532923888 /nfs/dbraw/zinc/92/38/88/532923888.db2.gz ZIVAEGLWIOHWEL-CYBMUJFWSA-N -1 1 377.825 2.216 20 0 GEADMM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000293423984 532926512 /nfs/dbraw/zinc/92/65/12/532926512.db2.gz IWTJTZBECAXSML-NSHDSACASA-N -1 1 377.388 2.493 20 0 GEADMM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293566358 532928753 /nfs/dbraw/zinc/92/87/53/532928753.db2.gz SIZHUVROHLYTJL-BDAKNGLRSA-N -1 1 383.417 2.291 20 0 GEADMM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000294204274 532936802 /nfs/dbraw/zinc/93/68/02/532936802.db2.gz UGNBLEKUDOJXMV-VIFPVBQESA-N -1 1 381.351 2.324 20 0 GEADMM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000294204270 532936862 /nfs/dbraw/zinc/93/68/62/532936862.db2.gz UGNBLEKUDOJXMV-SECBINFHSA-N -1 1 381.351 2.324 20 0 GEADMM COC[C@]1(C)CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000294142679 532936057 /nfs/dbraw/zinc/93/60/57/532936057.db2.gz GNMVNVGHOIEGEH-CQSZACIVSA-N -1 1 375.206 2.495 20 0 GEADMM CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000370569747 532944222 /nfs/dbraw/zinc/94/42/22/532944222.db2.gz UFSZIEXROQPVPB-HOCLYGCPSA-N -1 1 386.901 2.385 20 0 GEADMM COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736912171 598833337 /nfs/dbraw/zinc/83/33/37/598833337.db2.gz ZQGKIVCRHRJFOK-QWHCGFSZSA-N -1 1 383.433 2.021 20 0 GEADMM O=C(COC[C@H]1CCCO1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737915888 598834945 /nfs/dbraw/zinc/83/49/45/598834945.db2.gz JRKBHFQCDHCYOP-OAHLLOKOSA-N -1 1 399.476 2.407 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2cc(F)c(F)cc21 ZINC000738355523 598844705 /nfs/dbraw/zinc/84/47/05/598844705.db2.gz PATVPTOXLPGBST-UHFFFAOYSA-N -1 1 381.339 2.035 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2cc(F)c(F)cc21 ZINC000738355523 598844706 /nfs/dbraw/zinc/84/47/06/598844706.db2.gz PATVPTOXLPGBST-UHFFFAOYSA-N -1 1 381.339 2.035 20 0 GEADMM O=C(Cn1ccccc1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737988881 598847778 /nfs/dbraw/zinc/84/77/78/598847778.db2.gz PAXXFEOGQLIWNP-UHFFFAOYSA-N -1 1 392.444 2.073 20 0 GEADMM CNC(=O)c1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000736884051 598861365 /nfs/dbraw/zinc/86/13/65/598861365.db2.gz ZXFWBHKNLUBDTG-UHFFFAOYSA-N -1 1 394.822 2.243 20 0 GEADMM CN(CCOc1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736801858 598873173 /nfs/dbraw/zinc/87/31/73/598873173.db2.gz MBOCMHOHGRAWBH-UHFFFAOYSA-N -1 1 393.856 2.220 20 0 GEADMM CN(CCOc1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736801858 598873174 /nfs/dbraw/zinc/87/31/74/598873174.db2.gz MBOCMHOHGRAWBH-UHFFFAOYSA-N -1 1 393.856 2.220 20 0 GEADMM CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736469911 598873960 /nfs/dbraw/zinc/87/39/60/598873960.db2.gz GFYSXMWSZYDPNK-GFCCVEGCSA-N -1 1 399.904 2.490 20 0 GEADMM CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736469911 598873962 /nfs/dbraw/zinc/87/39/62/598873962.db2.gz GFYSXMWSZYDPNK-GFCCVEGCSA-N -1 1 399.904 2.490 20 0 GEADMM CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736469912 598873993 /nfs/dbraw/zinc/87/39/93/598873993.db2.gz GFYSXMWSZYDPNK-LBPRGKRZSA-N -1 1 399.904 2.490 20 0 GEADMM CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736469912 598873995 /nfs/dbraw/zinc/87/39/95/598873995.db2.gz GFYSXMWSZYDPNK-LBPRGKRZSA-N -1 1 399.904 2.490 20 0 GEADMM O=S(=O)(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCCC1 ZINC000738345514 598877543 /nfs/dbraw/zinc/87/75/43/598877543.db2.gz PWPZHFJJSJVCND-UHFFFAOYSA-N -1 1 390.494 2.025 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H](O)c1cccnc1 ZINC000738111853 598892716 /nfs/dbraw/zinc/89/27/16/598892716.db2.gz MBDVSXDNOKHRBX-KRWDZBQOSA-N -1 1 392.444 2.340 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCC(O)CC1 ZINC000738112288 598907476 /nfs/dbraw/zinc/90/74/76/598907476.db2.gz OKZAYWRAAZXKMJ-UHFFFAOYSA-N -1 1 384.465 2.262 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000737301783 598930774 /nfs/dbraw/zinc/93/07/74/598930774.db2.gz UPOYQAYRQBZUIO-UHFFFAOYSA-N -1 1 395.448 2.221 20 0 GEADMM O=C(NCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1Cl ZINC000738075988 598936879 /nfs/dbraw/zinc/93/68/79/598936879.db2.gz UJKZSCWAVVZLCO-UHFFFAOYSA-N -1 1 394.826 2.305 20 0 GEADMM O=C(NCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1Cl ZINC000738075988 598936880 /nfs/dbraw/zinc/93/68/80/598936880.db2.gz UJKZSCWAVVZLCO-UHFFFAOYSA-N -1 1 394.826 2.305 20 0 GEADMM Cn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1-c1ccncc1 ZINC000737590592 598956380 /nfs/dbraw/zinc/95/63/80/598956380.db2.gz ABPMDTYVTNSGAS-UHFFFAOYSA-N -1 1 388.420 2.152 20 0 GEADMM CC(C)(C)OC(=O)N1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735633139 598961388 /nfs/dbraw/zinc/96/13/88/598961388.db2.gz NFWFENZHERTPNA-UHFFFAOYSA-N -1 1 396.455 2.257 20 0 GEADMM CC(C)(C)OC(=O)N1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735633139 598961390 /nfs/dbraw/zinc/96/13/90/598961390.db2.gz NFWFENZHERTPNA-UHFFFAOYSA-N -1 1 396.455 2.257 20 0 GEADMM O=C(C1CCCCC1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737784492 598961923 /nfs/dbraw/zinc/96/19/23/598961923.db2.gz MJPOCWLTDCIPOB-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM O=C(C1CCCCC1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737784492 598961925 /nfs/dbraw/zinc/96/19/25/598961925.db2.gz MJPOCWLTDCIPOB-UHFFFAOYSA-N -1 1 392.467 2.039 20 0 GEADMM COc1ccc(OC)c(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737110201 598962199 /nfs/dbraw/zinc/96/21/99/598962199.db2.gz XXNLTXHAYSPTCA-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM COc1ccc(OC)c(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737110201 598962201 /nfs/dbraw/zinc/96/22/01/598962201.db2.gz XXNLTXHAYSPTCA-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM CS(=O)(=O)c1ccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737174087 598963517 /nfs/dbraw/zinc/96/35/17/598963517.db2.gz QYMDSPXDPLSCSO-UHFFFAOYSA-N -1 1 384.446 2.365 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC000737300558 598968518 /nfs/dbraw/zinc/96/85/18/598968518.db2.gz AXTCARLOABQPQF-UHFFFAOYSA-N -1 1 399.480 2.361 20 0 GEADMM O=C(NCCc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087614 598986399 /nfs/dbraw/zinc/98/63/99/598986399.db2.gz HRPFIFWVEHUTHY-UHFFFAOYSA-N -1 1 379.243 2.058 20 0 GEADMM O=C(NCCc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087614 598986400 /nfs/dbraw/zinc/98/64/00/598986400.db2.gz HRPFIFWVEHUTHY-UHFFFAOYSA-N -1 1 379.243 2.058 20 0 GEADMM O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738211468 598987073 /nfs/dbraw/zinc/98/70/73/598987073.db2.gz NQPYOJUFHUNBNQ-UHFFFAOYSA-N -1 1 387.407 2.057 20 0 GEADMM O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738211468 598987075 /nfs/dbraw/zinc/98/70/75/598987075.db2.gz NQPYOJUFHUNBNQ-UHFFFAOYSA-N -1 1 387.407 2.057 20 0 GEADMM O=C(Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)c1ccco1 ZINC000738174522 598987165 /nfs/dbraw/zinc/98/71/65/598987165.db2.gz SMWRWCDDIYLBLD-UHFFFAOYSA-N -1 1 375.348 2.359 20 0 GEADMM O=C(Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)c1ccco1 ZINC000738174522 598987167 /nfs/dbraw/zinc/98/71/67/598987167.db2.gz SMWRWCDDIYLBLD-UHFFFAOYSA-N -1 1 375.348 2.359 20 0 GEADMM O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738144865 598991827 /nfs/dbraw/zinc/99/18/27/598991827.db2.gz OCZPBDZOOMFFGB-UHFFFAOYSA-N -1 1 383.799 2.294 20 0 GEADMM O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738144865 598991828 /nfs/dbraw/zinc/99/18/28/598991828.db2.gz OCZPBDZOOMFFGB-UHFFFAOYSA-N -1 1 383.799 2.294 20 0 GEADMM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737150035 598992624 /nfs/dbraw/zinc/99/26/24/598992624.db2.gz KNJCROYEIZTJDJ-MRXNPFEDSA-N -1 1 394.435 2.092 20 0 GEADMM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737150035 598992625 /nfs/dbraw/zinc/99/26/25/598992625.db2.gz KNJCROYEIZTJDJ-MRXNPFEDSA-N -1 1 394.435 2.092 20 0 GEADMM COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736949306 598993806 /nfs/dbraw/zinc/99/38/06/598993806.db2.gz ARUOIZRXYFLSIE-UHFFFAOYSA-N -1 1 392.297 2.319 20 0 GEADMM COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736949306 598993809 /nfs/dbraw/zinc/99/38/09/598993809.db2.gz ARUOIZRXYFLSIE-UHFFFAOYSA-N -1 1 392.297 2.319 20 0 GEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC[C@@H]2CCCO2)c1 ZINC000737361120 598997941 /nfs/dbraw/zinc/99/79/41/598997941.db2.gz SXATVJJGWQNQKE-AWEZNQCLSA-N -1 1 380.408 2.380 20 0 GEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC[C@@H]2CCCO2)c1 ZINC000737361120 598997943 /nfs/dbraw/zinc/99/79/43/598997943.db2.gz SXATVJJGWQNQKE-AWEZNQCLSA-N -1 1 380.408 2.380 20 0 GEADMM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738144148 599005041 /nfs/dbraw/zinc/00/50/41/599005041.db2.gz JKPUWBPVVWGKRI-UHFFFAOYSA-N -1 1 387.407 2.109 20 0 GEADMM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738144148 599005042 /nfs/dbraw/zinc/00/50/42/599005042.db2.gz JKPUWBPVVWGKRI-UHFFFAOYSA-N -1 1 387.407 2.109 20 0 GEADMM CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)n[nH]1 ZINC000735939752 599023401 /nfs/dbraw/zinc/02/34/01/599023401.db2.gz ROCCEXRIFBVTRL-UHFFFAOYSA-N -1 1 375.396 2.423 20 0 GEADMM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737343658 599028098 /nfs/dbraw/zinc/02/80/98/599028098.db2.gz ROEYDQSKXBMUOV-ZDUSSCGKSA-N -1 1 397.870 2.480 20 0 GEADMM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737343658 599028102 /nfs/dbraw/zinc/02/81/02/599028102.db2.gz ROEYDQSKXBMUOV-ZDUSSCGKSA-N -1 1 397.870 2.480 20 0 GEADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cn1 ZINC000736532433 599029279 /nfs/dbraw/zinc/02/92/79/599029279.db2.gz ROUUNVFXYFCCLM-UHFFFAOYSA-N -1 1 387.469 2.217 20 0 GEADMM CN(c1ccc2ccccc2n1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736841668 599032117 /nfs/dbraw/zinc/03/21/17/599032117.db2.gz HKUHQIHXXRKNJI-UHFFFAOYSA-N -1 1 384.396 2.379 20 0 GEADMM Cc1ccccc1OCCN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737431291 599033081 /nfs/dbraw/zinc/03/30/81/599033081.db2.gz HHRVZHFKGFRUGM-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM Cc1ccccc1OCCN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737431291 599033083 /nfs/dbraw/zinc/03/30/83/599033083.db2.gz HHRVZHFKGFRUGM-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738356111 599085555 /nfs/dbraw/zinc/08/55/55/599085555.db2.gz WZSROOLQRDLHIR-UHFFFAOYSA-N -1 1 388.428 2.002 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738356111 599085558 /nfs/dbraw/zinc/08/55/58/599085558.db2.gz WZSROOLQRDLHIR-UHFFFAOYSA-N -1 1 388.428 2.002 20 0 GEADMM OC[C@@H](Cc1c[nH]c2ccccc12)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000823705991 599106240 /nfs/dbraw/zinc/10/62/40/599106240.db2.gz JVBSZYGBUGJQML-SECBINFHSA-N -1 1 375.845 2.473 20 0 GEADMM OC[C@@H](Cc1c[nH]c2ccccc12)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000823705991 599106243 /nfs/dbraw/zinc/10/62/43/599106243.db2.gz JVBSZYGBUGJQML-SECBINFHSA-N -1 1 375.845 2.473 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCCN1c1ccccc1 ZINC000738298063 599117822 /nfs/dbraw/zinc/11/78/22/599117822.db2.gz VSLJDGXHJWIXFV-QGZVFWFLSA-N -1 1 385.431 2.444 20 0 GEADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCCN1c1ccccc1 ZINC000738298063 599117824 /nfs/dbraw/zinc/11/78/24/599117824.db2.gz VSLJDGXHJWIXFV-QGZVFWFLSA-N -1 1 385.431 2.444 20 0 GEADMM Cc1nn(Cc2ccccc2OCC(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500732 599124404 /nfs/dbraw/zinc/12/44/04/599124404.db2.gz DOJPVUPUDREVKW-UHFFFAOYSA-N -1 1 380.330 2.030 20 0 GEADMM CCOc1ccc(-c2noc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000736634993 599134966 /nfs/dbraw/zinc/13/49/66/599134966.db2.gz PAZXQYNXVAFWTN-UHFFFAOYSA-N -1 1 393.363 2.067 20 0 GEADMM CCOc1ccc(-c2noc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000736634993 599134967 /nfs/dbraw/zinc/13/49/67/599134967.db2.gz PAZXQYNXVAFWTN-UHFFFAOYSA-N -1 1 393.363 2.067 20 0 GEADMM CC(C)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735723453 599137722 /nfs/dbraw/zinc/13/77/22/599137722.db2.gz YHYNFINHZFUUGW-KRWDZBQOSA-N -1 1 398.398 2.071 20 0 GEADMM CC(C)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735723453 599137725 /nfs/dbraw/zinc/13/77/25/599137725.db2.gz YHYNFINHZFUUGW-KRWDZBQOSA-N -1 1 398.398 2.071 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@H](C)c1ccccc1 ZINC000736100685 599142708 /nfs/dbraw/zinc/14/27/08/599142708.db2.gz NAJDCBCBYTXCNE-CXAGYDPISA-N -1 1 394.435 2.321 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@H](C)c1ccccc1 ZINC000736100685 599142710 /nfs/dbraw/zinc/14/27/10/599142710.db2.gz NAJDCBCBYTXCNE-CXAGYDPISA-N -1 1 394.435 2.321 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cnn(CC2CC2)c1 ZINC000822541248 599219568 /nfs/dbraw/zinc/21/95/68/599219568.db2.gz MEQYQQUWMHYKPO-UHFFFAOYSA-N -1 1 378.396 2.418 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cnn(CC2CC2)c1 ZINC000822541248 599219571 /nfs/dbraw/zinc/21/95/71/599219571.db2.gz MEQYQQUWMHYKPO-UHFFFAOYSA-N -1 1 378.396 2.418 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC(C(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000739197561 596918079 /nfs/dbraw/zinc/91/80/79/596918079.db2.gz YMXAWTMXOZTDCR-GASCZTMLSA-N -1 1 375.469 2.035 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1C(C)C ZINC000737488382 599227818 /nfs/dbraw/zinc/22/78/18/599227818.db2.gz UEASPJNICQXYMY-QGZVFWFLSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1C(C)C ZINC000737488382 599227820 /nfs/dbraw/zinc/22/78/20/599227820.db2.gz UEASPJNICQXYMY-QGZVFWFLSA-N -1 1 396.499 2.496 20 0 GEADMM COc1cc(-c2noc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)n2)cc(OC)c1OC ZINC000532711801 597256209 /nfs/dbraw/zinc/25/62/09/597256209.db2.gz KBRGFEDBOQOIJP-LBPRGKRZSA-N -1 1 391.424 2.449 20 0 GEADMM COc1cc(-c2noc(CN3CCC[C@@H](CC(=O)[O-])C3)n2)cc(OC)c1OC ZINC000532711801 597256211 /nfs/dbraw/zinc/25/62/11/597256211.db2.gz KBRGFEDBOQOIJP-LBPRGKRZSA-N -1 1 391.424 2.449 20 0 GEADMM O=C([O-])[C@H]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000269205481 597503754 /nfs/dbraw/zinc/50/37/54/597503754.db2.gz TYZHNKLGUNWBHT-ZDUSSCGKSA-N -1 1 389.477 2.179 20 0 GEADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000822699202 607305846 /nfs/dbraw/zinc/30/58/46/607305846.db2.gz RYAKYFBUYRBRIH-SCLBCKFNSA-N -1 1 390.451 2.098 20 0 GEADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000822699202 607305847 /nfs/dbraw/zinc/30/58/47/607305847.db2.gz RYAKYFBUYRBRIH-SCLBCKFNSA-N -1 1 390.451 2.098 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC(C(C)C)C(C)C ZINC000822457931 607320520 /nfs/dbraw/zinc/32/05/20/607320520.db2.gz AVVRFRIEPUBRFN-UHFFFAOYSA-N -1 1 384.488 2.256 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC(C(C)C)C(C)C ZINC000822457931 607320521 /nfs/dbraw/zinc/32/05/21/607320521.db2.gz AVVRFRIEPUBRFN-UHFFFAOYSA-N -1 1 384.488 2.256 20 0 GEADMM CCc1nc(-c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)n[nH]1 ZINC000821504113 607324181 /nfs/dbraw/zinc/32/41/81/607324181.db2.gz AQBCJRFYRVJBJJ-UHFFFAOYSA-N -1 1 376.380 2.172 20 0 GEADMM C[C@@H](Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1)N(C)C(=O)OC(C)(C)C ZINC000820307318 607325800 /nfs/dbraw/zinc/32/58/00/607325800.db2.gz KWHLIKAZLOHUPA-JTQLQIEISA-N -1 1 386.416 2.110 20 0 GEADMM C[C@@H](Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1)N(C)C(=O)OC(C)(C)C ZINC000820307318 607325801 /nfs/dbraw/zinc/32/58/01/607325801.db2.gz KWHLIKAZLOHUPA-JTQLQIEISA-N -1 1 386.416 2.110 20 0 GEADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000820459596 598187242 /nfs/dbraw/zinc/18/72/42/598187242.db2.gz HUNJKLDRYJRZJB-XLPNERPQSA-N -1 1 377.485 2.328 20 0 GEADMM O=C([O-])Cc1ccccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000821539455 598201832 /nfs/dbraw/zinc/20/18/32/598201832.db2.gz XGRNUYRXALNXSS-UHFFFAOYSA-N -1 1 390.339 2.451 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738352892 598254894 /nfs/dbraw/zinc/25/48/94/598254894.db2.gz BSVNCEIJMKLKAT-LBPRGKRZSA-N -1 1 391.403 2.323 20 0 GEADMM Cc1ccc(N(C)CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)cc1 ZINC000737348436 598258810 /nfs/dbraw/zinc/25/88/10/598258810.db2.gz ZCKFCFICSILCBT-UHFFFAOYSA-N -1 1 388.435 2.436 20 0 GEADMM Cc1ccc(N(C)CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)cc1 ZINC000737348436 598258811 /nfs/dbraw/zinc/25/88/11/598258811.db2.gz ZCKFCFICSILCBT-UHFFFAOYSA-N -1 1 388.435 2.436 20 0 GEADMM O=S(=O)(Oc1ccccc1Oc1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738347539 598271627 /nfs/dbraw/zinc/27/16/27/598271627.db2.gz KTNAIIVNRBJSHW-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM O=S(=O)(Oc1ccccc1Oc1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738347539 598271628 /nfs/dbraw/zinc/27/16/28/598271628.db2.gz KTNAIIVNRBJSHW-UHFFFAOYSA-N -1 1 396.388 2.217 20 0 GEADMM Clc1ccc(NCc2cccc(CN3CCOCC3)c2)nc1-c1nnn[n-]1 ZINC000737574787 598277250 /nfs/dbraw/zinc/27/72/50/598277250.db2.gz PIUPAXQBCNCRDF-UHFFFAOYSA-N -1 1 385.859 2.359 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cc3nc(C)ccc3o2)c(-c2nn[n-]n2)c1C ZINC000737378379 598287992 /nfs/dbraw/zinc/28/79/92/598287992.db2.gz ARGQJABHSFWVJV-UHFFFAOYSA-N -1 1 396.363 2.322 20 0 GEADMM Cc1nc(-c2nn[n-]n2)c(NNC(=S)NCc2cccc(C(F)(F)F)c2)o1 ZINC000737466763 598322703 /nfs/dbraw/zinc/32/27/03/598322703.db2.gz CILDGNQIZCOZSC-UHFFFAOYSA-N -1 1 398.374 2.173 20 0 GEADMM CCOCc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000736625696 598357753 /nfs/dbraw/zinc/35/77/53/598357753.db2.gz KVMCTWDYXDMTCG-UHFFFAOYSA-N -1 1 386.437 2.478 20 0 GEADMM CCC(C)(C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736315132 598366216 /nfs/dbraw/zinc/36/62/16/598366216.db2.gz WCUJFPDKQIMAEA-UHFFFAOYSA-N -1 1 385.428 2.200 20 0 GEADMM CCNC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736574636 598393457 /nfs/dbraw/zinc/39/34/57/598393457.db2.gz TXVXFEMYTDMFKV-NSHDSACASA-N -1 1 398.398 2.053 20 0 GEADMM CCNC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736574636 598393458 /nfs/dbraw/zinc/39/34/58/598393458.db2.gz TXVXFEMYTDMFKV-NSHDSACASA-N -1 1 398.398 2.053 20 0 GEADMM CC(C)NC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735885410 598393819 /nfs/dbraw/zinc/39/38/19/598393819.db2.gz YZCYOYXBPMJVED-UHFFFAOYSA-N -1 1 398.398 2.053 20 0 GEADMM CC(C)NC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735885410 598393820 /nfs/dbraw/zinc/39/38/20/598393820.db2.gz YZCYOYXBPMJVED-UHFFFAOYSA-N -1 1 398.398 2.053 20 0 GEADMM Cc1cccc(C2(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCCC2)c1 ZINC000737389177 598397516 /nfs/dbraw/zinc/39/75/16/598397516.db2.gz JPOLJVMNTWPSQO-UHFFFAOYSA-N -1 1 398.492 2.360 20 0 GEADMM Cc1cccc(C2(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCCC2)c1 ZINC000737389177 598397517 /nfs/dbraw/zinc/39/75/17/598397517.db2.gz JPOLJVMNTWPSQO-UHFFFAOYSA-N -1 1 398.492 2.360 20 0 GEADMM CCOC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736584397 598400083 /nfs/dbraw/zinc/40/00/83/598400083.db2.gz FUAIMFUVUYDPDB-NSHDSACASA-N -1 1 399.382 2.480 20 0 GEADMM CCOC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736584397 598400084 /nfs/dbraw/zinc/40/00/84/598400084.db2.gz FUAIMFUVUYDPDB-NSHDSACASA-N -1 1 399.382 2.480 20 0 GEADMM CCC[C@@H](C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736422831 598409922 /nfs/dbraw/zinc/40/99/22/598409922.db2.gz JSYNEODQQDENHJ-CYBMUJFWSA-N -1 1 397.439 2.360 20 0 GEADMM CCC[C@@H](C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736422831 598409924 /nfs/dbraw/zinc/40/99/24/598409924.db2.gz JSYNEODQQDENHJ-CYBMUJFWSA-N -1 1 397.439 2.360 20 0 GEADMM CN(C)C(=O)CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736747046 598414700 /nfs/dbraw/zinc/41/47/00/598414700.db2.gz LRNOBEHOIGVKRW-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM CN(C)C(=O)CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736747046 598414702 /nfs/dbraw/zinc/41/47/02/598414702.db2.gz LRNOBEHOIGVKRW-UHFFFAOYSA-N -1 1 399.382 2.433 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2sccc2C1 ZINC000738356001 598428967 /nfs/dbraw/zinc/42/89/67/598428967.db2.gz VBIGETQJIPHTST-UHFFFAOYSA-N -1 1 379.442 2.204 20 0 GEADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737513860 598501588 /nfs/dbraw/zinc/50/15/88/598501588.db2.gz XBTZMKSKEUTBQZ-SNVBAGLBSA-N -1 1 380.412 2.092 20 0 GEADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737513860 598501589 /nfs/dbraw/zinc/50/15/89/598501589.db2.gz XBTZMKSKEUTBQZ-SNVBAGLBSA-N -1 1 380.412 2.092 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000737548759 598501625 /nfs/dbraw/zinc/50/16/25/598501625.db2.gz RCESHYCCAVBUIA-CYBMUJFWSA-N -1 1 392.423 2.302 20 0 GEADMM COc1ccc(C)cc1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737077718 598504273 /nfs/dbraw/zinc/50/42/73/598504273.db2.gz XDBKPDNADYDSHF-UHFFFAOYSA-N -1 1 375.388 2.382 20 0 GEADMM CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736827909 598570873 /nfs/dbraw/zinc/57/08/73/598570873.db2.gz CYMPGUCHGVAXGQ-UHFFFAOYSA-N -1 1 385.859 2.388 20 0 GEADMM CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736827909 598570874 /nfs/dbraw/zinc/57/08/74/598570874.db2.gz CYMPGUCHGVAXGQ-UHFFFAOYSA-N -1 1 385.859 2.388 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cnc(C2CC2)nc1 ZINC000737547231 598661221 /nfs/dbraw/zinc/66/12/21/598661221.db2.gz IUNBJHVRYDFJDT-UHFFFAOYSA-N -1 1 376.380 2.479 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cnc(C2CC2)nc1 ZINC000737547231 598661222 /nfs/dbraw/zinc/66/12/22/598661222.db2.gz IUNBJHVRYDFJDT-UHFFFAOYSA-N -1 1 376.380 2.479 20 0 GEADMM CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736829261 598686911 /nfs/dbraw/zinc/68/69/11/598686911.db2.gz ZIEKKFGAEZNLFY-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735914817 598687805 /nfs/dbraw/zinc/68/78/05/598687805.db2.gz KEXVYTKLXWCCGU-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736305966 598688469 /nfs/dbraw/zinc/68/84/69/598688469.db2.gz VZACGGBNXJNVKD-VIFPVBQESA-N -1 1 379.442 2.375 20 0 GEADMM CCOCc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736626521 598690057 /nfs/dbraw/zinc/69/00/57/598690057.db2.gz RGCGXGZMTVYQJE-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM CN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736804743 598692090 /nfs/dbraw/zinc/69/20/90/598692090.db2.gz TYSMGHLFOVROBB-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM CCOc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736655016 598693423 /nfs/dbraw/zinc/69/34/23/598693423.db2.gz PGMQAQOZECFXNJ-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(CCc1ccccc1)C1CC1 ZINC000738353831 598693490 /nfs/dbraw/zinc/69/34/90/598693490.db2.gz HLNGCFOIGOPQJK-UHFFFAOYSA-N -1 1 387.440 2.402 20 0 GEADMM Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737420723 598693803 /nfs/dbraw/zinc/69/38/03/598693803.db2.gz HAGSHESDRVBSNR-CYBMUJFWSA-N -1 1 387.440 2.492 20 0 GEADMM COc1ccc(-c2nc(SCc3noc(C)n3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737057629 598718289 /nfs/dbraw/zinc/71/82/89/598718289.db2.gz RIWGLVOZHFQQBD-UHFFFAOYSA-N -1 1 398.408 2.022 20 0 GEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736274377 598719621 /nfs/dbraw/zinc/71/96/21/598719621.db2.gz UNXQDGQKOVWKPR-XJKSGUPXSA-N -1 1 380.452 2.219 20 0 GEADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1cccs1 ZINC000736111216 598720504 /nfs/dbraw/zinc/72/05/04/598720504.db2.gz MEXCKQOXKNQZFO-NSHDSACASA-N -1 1 380.433 2.121 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nnsc2Cl)c2ccc(Cl)cc12 ZINC000738372887 598721846 /nfs/dbraw/zinc/72/18/46/598721846.db2.gz XUHFIVTUXQCMHK-UHFFFAOYSA-N -1 1 380.220 2.388 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000737486990 598735269 /nfs/dbraw/zinc/73/52/69/598735269.db2.gz HHASOMZCQVGGII-RYUDHWBXSA-N -1 1 382.472 2.248 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000737486990 598735271 /nfs/dbraw/zinc/73/52/71/598735271.db2.gz HHASOMZCQVGGII-RYUDHWBXSA-N -1 1 382.472 2.248 20 0 GEADMM c1ccc(-c2noc(C3CCN(c4nccnc4-c4nnn[n-]4)CC3)n2)cc1 ZINC000738424138 598757992 /nfs/dbraw/zinc/75/79/92/598757992.db2.gz BGVGSTLFAVIOTI-UHFFFAOYSA-N -1 1 375.396 2.091 20 0 GEADMM c1ccc(-c2noc(C3CCN(c4nccnc4-c4nn[n-]n4)CC3)n2)cc1 ZINC000738424138 598757993 /nfs/dbraw/zinc/75/79/93/598757993.db2.gz BGVGSTLFAVIOTI-UHFFFAOYSA-N -1 1 375.396 2.091 20 0 GEADMM Cc1oc(NC(=O)CN2CCOc3ccccc3[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737553936 598764581 /nfs/dbraw/zinc/76/45/81/598764581.db2.gz YBPWDPUDDOOIII-GFCCVEGCSA-N -1 1 382.424 2.471 20 0 GEADMM COc1cccc(-c2noc(CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)n2)c1 ZINC000821854540 599309182 /nfs/dbraw/zinc/30/91/82/599309182.db2.gz MFTSIGAQQKSMCQ-UHFFFAOYSA-N -1 1 393.407 2.428 20 0 GEADMM O=C([N-]c1nnc(SCc2ccc(-c3nn[nH]n3)cc2)s1)c1ncccn1 ZINC000738210685 599314562 /nfs/dbraw/zinc/31/45/62/599314562.db2.gz SLIYGNQYXVUQEM-UHFFFAOYSA-N -1 1 397.449 2.053 20 0 GEADMM Cc1ccc(F)c(N2CCC[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)c1 ZINC000737344399 599334807 /nfs/dbraw/zinc/33/48/07/599334807.db2.gz FGHKEZSGJKAWIK-MRXNPFEDSA-N -1 1 396.382 2.062 20 0 GEADMM Cc1ccc(F)c(N2CCC[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)c1 ZINC000737344399 599334810 /nfs/dbraw/zinc/33/48/10/599334810.db2.gz FGHKEZSGJKAWIK-MRXNPFEDSA-N -1 1 396.382 2.062 20 0 GEADMM CC(C)CCOC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820076531 599336872 /nfs/dbraw/zinc/33/68/72/599336872.db2.gz LAOXFJBKLSAKBV-UHFFFAOYSA-N -1 1 397.476 2.222 20 0 GEADMM CC(C)CCOC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820076531 599336874 /nfs/dbraw/zinc/33/68/74/599336874.db2.gz LAOXFJBKLSAKBV-UHFFFAOYSA-N -1 1 397.476 2.222 20 0 GEADMM CCCO[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821127632 599342183 /nfs/dbraw/zinc/34/21/83/599342183.db2.gz KUZHMNXQKCWJLE-ZDUSSCGKSA-N -1 1 399.904 2.490 20 0 GEADMM C[C@@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820825701 599344481 /nfs/dbraw/zinc/34/44/81/599344481.db2.gz BJUWCCWGWCMXFK-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM C[C@@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820825701 599344483 /nfs/dbraw/zinc/34/44/83/599344483.db2.gz BJUWCCWGWCMXFK-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM COC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821679672 599345856 /nfs/dbraw/zinc/34/58/56/599345856.db2.gz HPEYQYJTJBJKRY-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823601056 599363644 /nfs/dbraw/zinc/36/36/44/599363644.db2.gz PGRSHLUUZSGQGO-CQSZACIVSA-N -1 1 376.829 2.051 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000823601056 599363647 /nfs/dbraw/zinc/36/36/47/599363647.db2.gz PGRSHLUUZSGQGO-CQSZACIVSA-N -1 1 376.829 2.051 20 0 GEADMM CC1(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000820596940 599373820 /nfs/dbraw/zinc/37/38/20/599373820.db2.gz WDPCROHMHNHAGI-UHFFFAOYSA-N -1 1 375.376 2.306 20 0 GEADMM CC(=O)c1cnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)s1 ZINC000735503004 599386055 /nfs/dbraw/zinc/38/60/55/599386055.db2.gz DVVAQOCVCXOOLZ-UHFFFAOYSA-N -1 1 383.393 2.470 20 0 GEADMM CC(=O)c1cnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)s1 ZINC000735503004 599386057 /nfs/dbraw/zinc/38/60/57/599386057.db2.gz DVVAQOCVCXOOLZ-UHFFFAOYSA-N -1 1 383.393 2.470 20 0 GEADMM CC(C)n1c(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2ccccc21 ZINC000735953963 599388389 /nfs/dbraw/zinc/38/83/89/599388389.db2.gz OOGIFYVVZKDVEU-UHFFFAOYSA-N -1 1 376.424 2.165 20 0 GEADMM CC(C)n1c(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2ccccc21 ZINC000735953963 599388390 /nfs/dbraw/zinc/38/83/90/599388390.db2.gz OOGIFYVVZKDVEU-UHFFFAOYSA-N -1 1 376.424 2.165 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCNc1ccccn1 ZINC000737549726 599389286 /nfs/dbraw/zinc/38/92/86/599389286.db2.gz YAXCTTBZTVCPEQ-UHFFFAOYSA-N -1 1 392.423 2.186 20 0 GEADMM Clc1ccccc1[C@@H](CNc1cccc(-c2nnn[n-]2)n1)N1CCOCC1 ZINC000737584364 599404951 /nfs/dbraw/zinc/40/49/51/599404951.db2.gz POTYGBFOPKBUMB-MRXNPFEDSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1ccccc1[C@@H](CNc1cccc(-c2nn[n-]n2)n1)N1CCOCC1 ZINC000737584364 599404952 /nfs/dbraw/zinc/40/49/52/599404952.db2.gz POTYGBFOPKBUMB-MRXNPFEDSA-N -1 1 385.859 2.401 20 0 GEADMM Brc1cc(CNc2cccc(-c3nnn[n-]3)n2)cc2c1OCCO2 ZINC000735368849 599417435 /nfs/dbraw/zinc/41/74/35/599417435.db2.gz NVSCDMJASPNFJL-UHFFFAOYSA-N -1 1 389.213 2.408 20 0 GEADMM Brc1cc(CNc2cccc(-c3nn[n-]n3)n2)cc2c1OCCO2 ZINC000735368849 599417438 /nfs/dbraw/zinc/41/74/38/599417438.db2.gz NVSCDMJASPNFJL-UHFFFAOYSA-N -1 1 389.213 2.408 20 0 GEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCC2(O)CCOCC2)n1 ZINC000822191895 607379761 /nfs/dbraw/zinc/37/97/61/607379761.db2.gz TZHRBTMVWOSPKC-UHFFFAOYSA-N -1 1 375.376 2.223 20 0 GEADMM COc1ccc(-c2nc(SCc3nonc3C)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737057866 599463321 /nfs/dbraw/zinc/46/33/21/599463321.db2.gz UKROFZOEQWHWPD-UHFFFAOYSA-N -1 1 398.408 2.022 20 0 GEADMM O=C(c1ccsc1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823498628 599487002 /nfs/dbraw/zinc/48/70/02/599487002.db2.gz WTTKABLWVVATJK-UHFFFAOYSA-N -1 1 391.460 2.439 20 0 GEADMM O=C(c1ccsc1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823498628 599487003 /nfs/dbraw/zinc/48/70/03/599487003.db2.gz WTTKABLWVVATJK-UHFFFAOYSA-N -1 1 391.460 2.439 20 0 GEADMM Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000820637140 599492388 /nfs/dbraw/zinc/49/23/88/599492388.db2.gz XBXZDQXOLNSKQV-OAHLLOKOSA-N -1 1 395.448 2.200 20 0 GEADMM Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000820637140 599492391 /nfs/dbraw/zinc/49/23/91/599492391.db2.gz XBXZDQXOLNSKQV-OAHLLOKOSA-N -1 1 395.448 2.200 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000737188129 599495126 /nfs/dbraw/zinc/49/51/26/599495126.db2.gz ZUDIBCDSENDHFN-HNNXBMFYSA-N -1 1 396.476 2.440 20 0 GEADMM Cc1nc(CN2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)oc1C ZINC000822441340 599524513 /nfs/dbraw/zinc/52/45/13/599524513.db2.gz VVFLFVONBIHHRJ-UHFFFAOYSA-N -1 1 390.451 2.342 20 0 GEADMM CCN1CCN(C2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)C1=O ZINC000821266270 599535702 /nfs/dbraw/zinc/53/57/02/599535702.db2.gz ABCNJHBUORIKTE-UHFFFAOYSA-N -1 1 392.467 2.141 20 0 GEADMM CCN1CCN(C2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)C1=O ZINC000821266270 599535703 /nfs/dbraw/zinc/53/57/03/599535703.db2.gz ABCNJHBUORIKTE-UHFFFAOYSA-N -1 1 392.467 2.141 20 0 GEADMM O=C([C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1)N1CCCC1 ZINC000822917774 599551354 /nfs/dbraw/zinc/55/13/54/599551354.db2.gz WSCQLSXVWOTOEH-AWEZNQCLSA-N -1 1 377.452 2.254 20 0 GEADMM O=C([C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1)N1CCCC1 ZINC000822917774 599551356 /nfs/dbraw/zinc/55/13/56/599551356.db2.gz WSCQLSXVWOTOEH-AWEZNQCLSA-N -1 1 377.452 2.254 20 0 GEADMM Cc1nn(C)c(C)c1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737509139 599572703 /nfs/dbraw/zinc/57/27/03/599572703.db2.gz GDGJAXCGYUTLPD-UHFFFAOYSA-N -1 1 394.439 2.181 20 0 GEADMM Cc1nn(C)c(C)c1CN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737509139 599572704 /nfs/dbraw/zinc/57/27/04/599572704.db2.gz GDGJAXCGYUTLPD-UHFFFAOYSA-N -1 1 394.439 2.181 20 0 GEADMM CN(Cc1ccoc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736829390 599594110 /nfs/dbraw/zinc/59/41/10/599594110.db2.gz BKJRFXLMJMOXHO-UHFFFAOYSA-N -1 1 387.343 2.299 20 0 GEADMM O=C([O-])NCCCC(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000739960895 599727127 /nfs/dbraw/zinc/72/71/27/599727127.db2.gz MKXTVRGZJRYNKB-UHFFFAOYSA-N -1 1 397.479 2.390 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CCCN(C)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736813995 599732736 /nfs/dbraw/zinc/73/27/36/599732736.db2.gz HCDXUCDTONFQRF-HZPDHXFCSA-N -1 1 377.485 2.302 20 0 GEADMM CS[C@@H]1CCCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821955965 607390712 /nfs/dbraw/zinc/39/07/12/607390712.db2.gz CWEIZVCGOWLEHG-LLVKDONJSA-N -1 1 387.918 2.426 20 0 GEADMM O=C([O-])NCCCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000739960148 599761188 /nfs/dbraw/zinc/76/11/88/599761188.db2.gz UBRZOLTUGGWAAZ-UHFFFAOYSA-N -1 1 382.892 2.016 20 0 GEADMM CN(C)CCN(CCCc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737370038 599774372 /nfs/dbraw/zinc/77/43/72/599774372.db2.gz OHWGNBIOFPCBLF-UHFFFAOYSA-N -1 1 380.466 2.163 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000738635968 599782295 /nfs/dbraw/zinc/78/22/95/599782295.db2.gz JJINFKKKLZSVIS-NSHDSACASA-N -1 1 382.463 2.308 20 0 GEADMM CC(C)(O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000736340960 599810279 /nfs/dbraw/zinc/81/02/79/599810279.db2.gz GXFWMJPCGXHMDQ-UHFFFAOYSA-N -1 1 375.494 2.397 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738228879 599811237 /nfs/dbraw/zinc/81/12/37/599811237.db2.gz DUQPRZWSLIRDRE-UHFFFAOYSA-N -1 1 393.403 2.146 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(F)c2)c(C(=O)[O-])s1 ZINC000737679718 599815528 /nfs/dbraw/zinc/81/55/28/599815528.db2.gz CVJWCICRVNXMEP-UHFFFAOYSA-N -1 1 389.382 2.181 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723235 607400761 /nfs/dbraw/zinc/40/07/61/607400761.db2.gz NKZFBYAVKGIFPY-FZMZJTMJSA-N -1 1 388.428 2.207 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723235 607400763 /nfs/dbraw/zinc/40/07/63/607400763.db2.gz NKZFBYAVKGIFPY-FZMZJTMJSA-N -1 1 388.428 2.207 20 0 GEADMM CN(CC(=O)NCc1c2ccccc2sc1C(=O)[O-])c1ncnc2[nH]cnc21 ZINC000737393165 599871488 /nfs/dbraw/zinc/87/14/88/599871488.db2.gz IHQXTRBPWSQDAC-UHFFFAOYSA-N -1 1 396.432 2.018 20 0 GEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(F)cccc1F ZINC000548208907 599873519 /nfs/dbraw/zinc/87/35/19/599873519.db2.gz UDTRDQQKFHRQRT-OAHLLOKOSA-N -1 1 380.372 2.420 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC000736653236 599884013 /nfs/dbraw/zinc/88/40/13/599884013.db2.gz WPJIDODHTSSPJG-LBPRGKRZSA-N -1 1 397.387 2.002 20 0 GEADMM COc1ccc(NC(=O)c2ccccc2NC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000738033001 599927138 /nfs/dbraw/zinc/92/71/38/599927138.db2.gz HDWVBCDHRTWXAV-UHFFFAOYSA-N -1 1 385.420 2.339 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000738521732 599957441 /nfs/dbraw/zinc/95/74/41/599957441.db2.gz ZPEGYDHNDVBUIW-NVXWUHKLSA-N -1 1 397.479 2.411 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CCSCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736815690 599964284 /nfs/dbraw/zinc/96/42/84/599964284.db2.gz VZDDTPVVEAQFKS-HUUCEWRRSA-N -1 1 380.510 2.120 20 0 GEADMM COc1ccc([C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)N(C)C)cc1OC ZINC000737958181 600012240 /nfs/dbraw/zinc/01/22/40/600012240.db2.gz XVOKOZHLEWRCBY-BCLQGDPASA-N -1 1 393.484 2.249 20 0 GEADMM NC(=O)c1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000326903188 600051283 /nfs/dbraw/zinc/05/12/83/600051283.db2.gz DANTYYUYENFEED-UHFFFAOYSA-N -1 1 376.415 2.499 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000035297175 600138735 /nfs/dbraw/zinc/13/87/35/600138735.db2.gz SSIJTJCIUNOTHG-SNVBAGLBSA-N -1 1 388.205 2.026 20 0 GEADMM O=C([O-])CCCNC(=S)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000739681345 600139894 /nfs/dbraw/zinc/13/98/94/600139894.db2.gz KINBRKIYBVMNRY-UHFFFAOYSA-N -1 1 398.960 2.181 20 0 GEADMM O=C([O-])C1(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CCCCC1 ZINC000739307215 600148292 /nfs/dbraw/zinc/14/82/92/600148292.db2.gz JSCACMWZEUCDCS-INIZCTEOSA-N -1 1 388.464 2.498 20 0 GEADMM CCC[C@@](C)(NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736962116 600151438 /nfs/dbraw/zinc/15/14/38/600151438.db2.gz XWPAFMSDGBXIPG-MGPUTAFESA-N -1 1 376.453 2.354 20 0 GEADMM Cc1c(NC(=O)C(=O)N2CCN(C3CCC(C)CC3)CC2)cccc1C(=O)[O-] ZINC000738303360 600202003 /nfs/dbraw/zinc/20/20/03/600202003.db2.gz XTFQCCCGLUMLMB-UHFFFAOYSA-N -1 1 387.480 2.355 20 0 GEADMM Cc1ccc(N(C)C2CCN(Cn3ncc4cc(C(=O)[O-])ccc43)CC2)nn1 ZINC000738608396 600214388 /nfs/dbraw/zinc/21/43/88/600214388.db2.gz MSMSBMDHTLLXTD-UHFFFAOYSA-N -1 1 380.452 2.391 20 0 GEADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2O)c1 ZINC000737655065 600245955 /nfs/dbraw/zinc/24/59/55/600245955.db2.gz ZMDVJMNQZHGAFG-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM O=C([O-])Nc1ccc(CNC(=O)CSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000740025732 600274937 /nfs/dbraw/zinc/27/49/37/600274937.db2.gz VPURTYWAPFLUOS-UHFFFAOYSA-N -1 1 384.421 2.365 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000737867008 600290949 /nfs/dbraw/zinc/29/09/49/600290949.db2.gz GHCIQNLGZZGNJM-HOCLYGCPSA-N -1 1 390.480 2.376 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)Nc2nnc(CCC(=O)[O-])s2)N2CCCC2)o1 ZINC000738559527 600292276 /nfs/dbraw/zinc/29/22/76/600292276.db2.gz ITFHZWCCILTHGH-GFCCVEGCSA-N -1 1 393.469 2.415 20 0 GEADMM COc1ccc(Br)cc1[C@H]1CCCN1CCC(=O)NCC(=O)[O-] ZINC000737917899 600297084 /nfs/dbraw/zinc/29/70/84/600297084.db2.gz RVUQPLJLEZVDES-CYBMUJFWSA-N -1 1 385.258 2.186 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000739402527 600297658 /nfs/dbraw/zinc/29/76/58/600297658.db2.gz DCPRIPMJAQBSIJ-SFHVURJKSA-N -1 1 399.422 2.416 20 0 GEADMM CCOc1cc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)ccc1OCC(=O)[O-] ZINC000737183386 600298045 /nfs/dbraw/zinc/29/80/45/600298045.db2.gz XOQMMGRQHXCZTH-GDBMZVCRSA-N -1 1 376.453 2.248 20 0 GEADMM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(F)cn2)c1 ZINC000740068794 600361134 /nfs/dbraw/zinc/36/11/34/600361134.db2.gz MBBDYOJPDFQDNN-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000737653583 600374898 /nfs/dbraw/zinc/37/48/98/600374898.db2.gz JDIBTKGTJBAUHZ-QMMMGPOBSA-N -1 1 377.224 2.371 20 0 GEADMM O=C([O-])c1cc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)ccc1F ZINC000739404659 600385727 /nfs/dbraw/zinc/38/57/27/600385727.db2.gz ZMZRVHCPPOBOSD-MRXNPFEDSA-N -1 1 387.411 2.065 20 0 GEADMM O=C([O-])[C@@H](c1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000517948698 600405490 /nfs/dbraw/zinc/40/54/90/600405490.db2.gz HYWZUIGNTIUNDM-SJLPKXTDSA-N -1 1 392.452 2.394 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738164804 600450282 /nfs/dbraw/zinc/45/02/82/600450282.db2.gz ZGKVNLTZJIQSPG-AWEZNQCLSA-N -1 1 385.344 2.319 20 0 GEADMM O=C([O-])[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000263163579 600457004 /nfs/dbraw/zinc/45/70/04/600457004.db2.gz CGSFGPXMGGANNQ-UKRRQHHQSA-N -1 1 385.386 2.396 20 0 GEADMM O=C([O-])COc1ccc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000739823499 600463011 /nfs/dbraw/zinc/46/30/11/600463011.db2.gz HWOHOOWCVLIRLP-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM O=C([O-])COc1ccc(NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000739823499 600463014 /nfs/dbraw/zinc/46/30/14/600463014.db2.gz HWOHOOWCVLIRLP-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM CCOC(=O)c1cnc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(Cl)c1 ZINC000821342833 607448373 /nfs/dbraw/zinc/44/83/73/607448373.db2.gz JHJNLCWEWQXIFI-UHFFFAOYSA-N -1 1 388.771 2.050 20 0 GEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000736395206 600496988 /nfs/dbraw/zinc/49/69/88/600496988.db2.gz AAQUPPYXVUMSII-SFHVURJKSA-N -1 1 377.485 2.412 20 0 GEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000736716660 600511442 /nfs/dbraw/zinc/51/14/42/600511442.db2.gz IHUZQIJLXLUADM-DZGCQCFKSA-N -1 1 384.423 2.440 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822547680 607450212 /nfs/dbraw/zinc/45/02/12/607450212.db2.gz BCEJYJNLHFHGST-LRDDRELGSA-N -1 1 396.451 2.477 20 0 GEADMM CC[C@@H](O)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000820933568 607452799 /nfs/dbraw/zinc/45/27/99/607452799.db2.gz XEFUPEFYKLYZGP-OAHLLOKOSA-N -1 1 384.440 2.293 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000738520095 600549963 /nfs/dbraw/zinc/54/99/63/600549963.db2.gz USNRWOGQQSRGNT-GOSISDBHSA-N -1 1 395.459 2.413 20 0 GEADMM CC1(C)CN(C2(CNC(=O)N3CCC(C(=O)[O-])CC3)CCCCC2)CCO1 ZINC000736736147 600564768 /nfs/dbraw/zinc/56/47/68/600564768.db2.gz XFUKXYCIYUJSHR-UHFFFAOYSA-N -1 1 381.517 2.306 20 0 GEADMM O=C([O-])Cn1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000739913300 600571438 /nfs/dbraw/zinc/57/14/38/600571438.db2.gz QXWLIWYDDDRMFL-UHFFFAOYSA-N -1 1 391.859 2.407 20 0 GEADMM COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1C(=O)[O-] ZINC000389150020 600576668 /nfs/dbraw/zinc/57/66/68/600576668.db2.gz WWVRGQNPKSOJPZ-UHFFFAOYSA-N -1 1 392.477 2.146 20 0 GEADMM COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481956460 600629121 /nfs/dbraw/zinc/62/91/21/600629121.db2.gz KZTSGWONFPCNCB-UHFFFAOYSA-N -1 1 383.397 2.279 20 0 GEADMM O=C([O-])CCCc1nnc(NC(=O)NCCN2CCc3ccccc3C2)s1 ZINC000739708517 600636654 /nfs/dbraw/zinc/63/66/54/600636654.db2.gz SDRAIUOYDDIPGU-UHFFFAOYSA-N -1 1 389.481 2.125 20 0 GEADMM CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000304724088 600645954 /nfs/dbraw/zinc/64/59/54/600645954.db2.gz FUQNSLAWDTWYNJ-UHFFFAOYSA-N -1 1 376.478 2.066 20 0 GEADMM CN(C)[C@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccs1 ZINC000737358752 600647157 /nfs/dbraw/zinc/64/71/57/600647157.db2.gz PEODRKLQYPHGOP-OAHLLOKOSA-N -1 1 377.466 2.314 20 0 GEADMM O=C([O-])COc1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000833260642 600675152 /nfs/dbraw/zinc/67/51/52/600675152.db2.gz GQMFGPDRZLVQAO-UHFFFAOYSA-N -1 1 398.780 2.039 20 0 GEADMM Cc1cc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)ccc1C(=O)[O-] ZINC000832903853 600708973 /nfs/dbraw/zinc/70/89/73/600708973.db2.gz UHNUARGYJHSOBV-UHFFFAOYSA-N -1 1 398.550 2.333 20 0 GEADMM CC1CCN([C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2ccccc2)CC1 ZINC000828285042 600721725 /nfs/dbraw/zinc/72/17/25/600721725.db2.gz KFULRXMYBIYFDK-GOSISDBHSA-N -1 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CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000830049758 600791868 /nfs/dbraw/zinc/79/18/68/600791868.db2.gz PENFVKZGEPWIDG-UHFFFAOYSA-N -1 1 384.436 2.183 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1C(=O)[O-] ZINC000833055556 600810088 /nfs/dbraw/zinc/81/00/88/600810088.db2.gz XKSXLYNDUPRQCX-UHFFFAOYSA-N -1 1 397.840 2.304 20 0 GEADMM CC[C@@H](CO)N1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000828891402 600847554 /nfs/dbraw/zinc/84/75/54/600847554.db2.gz WKJRMUASHSWXSX-KRWDZBQOSA-N -1 1 375.494 2.397 20 0 GEADMM O=C([O-])CCN(Cc1nc(COc2ccc(F)cc2)no1)C1CCOCC1 ZINC000833236194 600859660 /nfs/dbraw/zinc/85/96/60/600859660.db2.gz QXXFEUMMLVAFSE-UHFFFAOYSA-N -1 1 379.388 2.243 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)[nH]c2c1 ZINC000832959112 600863603 /nfs/dbraw/zinc/86/36/03/600863603.db2.gz PNSIKXMPEOWQRV-UHFFFAOYSA-N -1 1 385.355 2.355 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)[nH]c2c1 ZINC000832959776 600863782 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386.539 2.153 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000832241308 601849864 /nfs/dbraw/zinc/84/98/64/601849864.db2.gz NINIXAVPZRZHAR-FXAWDEMLSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 ZINC000268305781 601853632 /nfs/dbraw/zinc/85/36/32/601853632.db2.gz IIZWXGVCYKNESQ-CQSZACIVSA-N -1 1 377.418 2.282 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 ZINC000268309039 601854755 /nfs/dbraw/zinc/85/47/55/601854755.db2.gz JGSUZZPWNYGXAB-CQSZACIVSA-N -1 1 393.417 2.119 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)NCc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000820804912 601881430 /nfs/dbraw/zinc/88/14/30/601881430.db2.gz BOCUGJSPXGUYRP-UHFFFAOYSA-N -1 1 381.392 2.178 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)NCc3cccc(C(=O)[O-])c3)n[nH]2)cc1 ZINC000820804912 601881432 /nfs/dbraw/zinc/88/14/32/601881432.db2.gz BOCUGJSPXGUYRP-UHFFFAOYSA-N -1 1 381.392 2.178 20 0 GEADMM CC(C)N(C)CC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)[O-])CC1 ZINC000738833552 601883766 /nfs/dbraw/zinc/88/37/66/601883766.db2.gz HKFSRNIRTDRRSY-UHFFFAOYSA-N -1 1 377.441 2.265 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CCSC[C@H]2CC(=O)[O-])cc1F ZINC000832304355 601918579 /nfs/dbraw/zinc/91/85/79/601918579.db2.gz KCYDGOWIAPSBHS-GXTWGEPZSA-N -1 1 384.473 2.073 20 0 GEADMM COc1ccccc1CNC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739976490 601928837 /nfs/dbraw/zinc/92/88/37/601928837.db2.gz VJRVFAYNFWRENY-IAGOWNOFSA-N -1 1 375.469 2.308 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000739458746 601946002 /nfs/dbraw/zinc/94/60/02/601946002.db2.gz WTKADAXIGLVHTI-KDOFPFPSSA-N -1 1 394.491 2.437 20 0 GEADMM CC(=O)Nc1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000825903183 601947432 /nfs/dbraw/zinc/94/74/32/601947432.db2.gz XSUMEFICMJKWBV-MRXNPFEDSA-N -1 1 387.358 2.399 20 0 GEADMM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(C)CCC1CCOCC1 ZINC000831231286 601966179 /nfs/dbraw/zinc/96/61/79/601966179.db2.gz YFFRDKPJBWOVCC-UHFFFAOYSA-N -1 1 398.481 2.228 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)CCC1CCOCC1 ZINC000831369945 601966219 /nfs/dbraw/zinc/96/62/19/601966219.db2.gz LRHWPLBLJLVADT-ZDUSSCGKSA-N -1 1 392.452 2.247 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000832914911 601969632 /nfs/dbraw/zinc/96/96/32/601969632.db2.gz XQKYYQMZYCKWEB-CRAIPNDOSA-N -1 1 395.459 2.411 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000832892292 601969942 /nfs/dbraw/zinc/96/99/42/601969942.db2.gz RTWCLFCPSOYGKT-QAPCUYQASA-N -1 1 395.459 2.411 20 0 GEADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2N2CCN(C)CC2)C1 ZINC000739735710 602007480 /nfs/dbraw/zinc/00/74/80/602007480.db2.gz DOWYZNKJUKPZPY-HNNXBMFYSA-N -1 1 375.473 2.045 20 0 GEADMM O=C([O-])Nc1ccc(F)c(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1 ZINC000740706432 602026390 /nfs/dbraw/zinc/02/63/90/602026390.db2.gz KINIBIYHFNNYCR-UHFFFAOYSA-N -1 1 398.350 2.126 20 0 GEADMM NS(=O)(=O)C[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833087731 602042086 /nfs/dbraw/zinc/04/20/86/602042086.db2.gz CPHSCZFMKIHODT-NOZJJQNGSA-N -1 1 381.281 2.120 20 0 GEADMM CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000824347557 607541408 /nfs/dbraw/zinc/54/14/08/607541408.db2.gz DDNUDQQTXXFHQJ-FQEVSTJZSA-N -1 1 391.435 2.352 20 0 GEADMM CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000824347557 607541409 /nfs/dbraw/zinc/54/14/09/607541409.db2.gz DDNUDQQTXXFHQJ-FQEVSTJZSA-N -1 1 391.435 2.352 20 0 GEADMM C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738980057 602053015 /nfs/dbraw/zinc/05/30/15/602053015.db2.gz NKYSAUKJFNSOHB-XHSDSOJGSA-N -1 1 378.473 2.494 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000828457614 602058588 /nfs/dbraw/zinc/05/85/88/602058588.db2.gz VIGBKRBAGLECKD-WHSLLNHNSA-N -1 1 389.496 2.302 20 0 GEADMM O=C([O-])NC[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000740636576 602058594 /nfs/dbraw/zinc/05/85/94/602058594.db2.gz QXJPHHUGXUWFDL-HZPDHXFCSA-N -1 1 378.473 2.496 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](CNC(=O)[O-])C1)N1CCCC1 ZINC000739958435 602061493 /nfs/dbraw/zinc/06/14/93/602061493.db2.gz LMWMHFLEWOPPCR-NVXWUHKLSA-N -1 1 390.484 2.131 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946053 602061501 /nfs/dbraw/zinc/06/15/01/602061501.db2.gz QSBQTBLURUBGTB-KYJSFNMBSA-N -1 1 392.500 2.376 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946055 602062030 /nfs/dbraw/zinc/06/20/30/602062030.db2.gz QSBQTBLURUBGTB-ZVZYQTTQSA-N -1 1 392.500 2.376 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)C[C@@H](C)O1 ZINC000739183450 602076075 /nfs/dbraw/zinc/07/60/75/602076075.db2.gz SHWHBJFFDUSDEE-ZJPYXAASSA-N -1 1 396.532 2.050 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)NCCN(C(=O)[O-])C3CC3)CC2)cc1 ZINC000739910418 602079176 /nfs/dbraw/zinc/07/91/76/602079176.db2.gz ZEQYHNCAIJKXCB-UHFFFAOYSA-N -1 1 390.484 2.055 20 0 GEADMM CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)N(C)C)cc1 ZINC000739544962 602084074 /nfs/dbraw/zinc/08/40/74/602084074.db2.gz YRJGMFWOFVQHBU-INIZCTEOSA-N -1 1 399.451 2.092 20 0 GEADMM CN1CCN(C[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737525669 602102294 /nfs/dbraw/zinc/10/22/94/602102294.db2.gz DZFRGLDIMCQESL-IBGZPJMESA-N -1 1 382.464 2.495 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000738620327 602118519 /nfs/dbraw/zinc/11/85/19/602118519.db2.gz NBPJKSNUZPDAQU-LJQANCHMSA-N -1 1 395.459 2.206 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737720064 602122617 /nfs/dbraw/zinc/12/26/17/602122617.db2.gz DOSRCNIAHPXOBK-BEFAXECRSA-N -1 1 395.459 2.204 20 0 GEADMM O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826442911 607547836 /nfs/dbraw/zinc/54/78/36/607547836.db2.gz PQBGJXQAJNLLGE-UHFFFAOYSA-N -1 1 392.341 2.271 20 0 GEADMM O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826442911 607547838 /nfs/dbraw/zinc/54/78/38/607547838.db2.gz PQBGJXQAJNLLGE-UHFFFAOYSA-N -1 1 392.341 2.271 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCc2cccc(OC(C)(C)C)n2)CC1 ZINC000827362674 602180127 /nfs/dbraw/zinc/18/01/27/602180127.db2.gz RYIPZAOCUKBGBW-HNNXBMFYSA-N -1 1 377.485 2.199 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CNC(=O)[O-])C2)N2CCCC2)o1 ZINC000740118150 602185962 /nfs/dbraw/zinc/18/59/62/602185962.db2.gz PLNQUHWGJPQUQJ-HZPDHXFCSA-N -1 1 378.473 2.414 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(Br)s1 ZINC000832861937 602191510 /nfs/dbraw/zinc/19/15/10/602191510.db2.gz OFVGHOKNDPAOTN-SECBINFHSA-N -1 1 375.288 2.440 20 0 GEADMM O=C([O-])CCCS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000833228528 602204414 /nfs/dbraw/zinc/20/44/14/602204414.db2.gz QQTWXSCDZQQILJ-UHFFFAOYSA-N -1 1 388.917 2.432 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc2)C[C@H](C)O1 ZINC000828495827 602227612 /nfs/dbraw/zinc/22/76/12/602227612.db2.gz ZBWDLIYRAJNLTG-SUNYJGFJSA-N -1 1 377.485 2.328 20 0 GEADMM O=C([O-])N1CCC(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000740499485 602258549 /nfs/dbraw/zinc/25/85/49/602258549.db2.gz LIDRCKYUAVLVRM-UHFFFAOYSA-N -1 1 379.888 2.417 20 0 GEADMM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1 ZINC000536490465 602318797 /nfs/dbraw/zinc/31/87/97/602318797.db2.gz GCNHSLPXELDMDK-UHFFFAOYSA-N -1 1 397.210 2.219 20 0 GEADMM CN(CC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000739623229 602325050 /nfs/dbraw/zinc/32/50/50/602325050.db2.gz AVHNHSYBLLJHJM-UHFFFAOYSA-N -1 1 396.491 2.235 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])n2)cc1 ZINC000739880853 602364267 /nfs/dbraw/zinc/36/42/67/602364267.db2.gz YFFGIJMKXLXABU-BMFZPTHFSA-N -1 1 399.451 2.408 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])n[nH]2)cc1 ZINC000739880853 602364269 /nfs/dbraw/zinc/36/42/69/602364269.db2.gz YFFGIJMKXLXABU-BMFZPTHFSA-N -1 1 399.451 2.408 20 0 GEADMM COc1ccc(CNC(=O)[C@@H](C)N2CCC(CN(C)C(=O)[O-])CC2)cc1OC ZINC000739901947 602386118 /nfs/dbraw/zinc/38/61/18/602386118.db2.gz CELUDWUTEZLOCL-CQSZACIVSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000739017879 602445329 /nfs/dbraw/zinc/44/53/29/602445329.db2.gz YJLKESFKWODOPN-RYUDHWBXSA-N -1 1 380.420 2.230 20 0 GEADMM Cc1cccc(N2CCN(C(=O)CN3CCC([C@@H](C)NC(=O)[O-])CC3)CC2)c1 ZINC000740167609 602447990 /nfs/dbraw/zinc/44/79/90/602447990.db2.gz BOBNKUMCAREIEP-QGZVFWFLSA-N -1 1 388.512 2.012 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739186016 602499091 /nfs/dbraw/zinc/49/90/91/602499091.db2.gz CPMADVYNSIWUTH-BXWFABGCSA-N -1 1 389.496 2.445 20 0 GEADMM CCCN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354810 602544001 /nfs/dbraw/zinc/54/40/01/602544001.db2.gz SLHYIYGUPQQOKO-MJGOQNOKSA-N -1 1 388.512 2.093 20 0 GEADMM CCCN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354803 602544125 /nfs/dbraw/zinc/54/41/25/602544125.db2.gz SLHYIYGUPQQOKO-HKUYNNGSSA-N -1 1 388.512 2.093 20 0 GEADMM CCCN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351346 602547647 /nfs/dbraw/zinc/54/76/47/602547647.db2.gz OUWDEMGVUQKDHS-ZWKOTPCHSA-N -1 1 393.459 2.190 20 0 GEADMM CC(=O)CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823967536 607574698 /nfs/dbraw/zinc/57/46/98/607574698.db2.gz NCQGVZKEDMQDQX-UHFFFAOYSA-N -1 1 390.396 2.295 20 0 GEADMM CC(=O)CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823967536 607574700 /nfs/dbraw/zinc/57/47/00/607574700.db2.gz NCQGVZKEDMQDQX-UHFFFAOYSA-N -1 1 390.396 2.295 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C[C@H](C)O1 ZINC000739179033 602609248 /nfs/dbraw/zinc/60/92/48/602609248.db2.gz BMJUYKXCIKKEEW-GJZGRUSLSA-N -1 1 390.484 2.344 20 0 GEADMM O=S(=O)(NCc1cccs1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826492029 607576139 /nfs/dbraw/zinc/57/61/39/607576139.db2.gz PCFKJEZDNYEQNR-UHFFFAOYSA-N -1 1 389.384 2.426 20 0 GEADMM O=Cc1cc(Cl)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826483962 607576199 /nfs/dbraw/zinc/57/61/99/607576199.db2.gz HLZBWWFIKSVPSU-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=Cc1cc(Cl)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826483962 607576201 /nfs/dbraw/zinc/57/62/01/607576201.db2.gz HLZBWWFIKSVPSU-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=C([O-])Nc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000740715669 602653327 /nfs/dbraw/zinc/65/33/27/602653327.db2.gz GWFYJRIUFNOYDW-UHFFFAOYSA-N -1 1 375.406 2.470 20 0 GEADMM CC1(C)CN(C2(CNC(=O)N3CC[C@@H](CNC(=O)[O-])C3)CCCCC2)CCO1 ZINC000739063569 602683528 /nfs/dbraw/zinc/68/35/28/602683528.db2.gz MFRYTXKNRVVIMN-INIZCTEOSA-N -1 1 396.532 2.099 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000826188775 607580545 /nfs/dbraw/zinc/58/05/45/607580545.db2.gz GJBABQBQYJFTTI-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824024444 607581738 /nfs/dbraw/zinc/58/17/38/607581738.db2.gz FHOZIEUKZDBFPI-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824024444 607581739 /nfs/dbraw/zinc/58/17/39/607581739.db2.gz FHOZIEUKZDBFPI-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM COc1cc(OC)cc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826181406 607577598 /nfs/dbraw/zinc/57/75/98/607577598.db2.gz YEQVGCLKJBAIBY-UHFFFAOYSA-N -1 1 396.812 2.305 20 0 GEADMM O=C1CCc2c1cccc2OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826480580 607582833 /nfs/dbraw/zinc/58/28/33/607582833.db2.gz HYUJGFSPWRMLKS-UHFFFAOYSA-N -1 1 390.808 2.417 20 0 GEADMM O=C1CCc2c1cccc2OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826480580 607582834 /nfs/dbraw/zinc/58/28/34/607582834.db2.gz HYUJGFSPWRMLKS-UHFFFAOYSA-N -1 1 390.808 2.417 20 0 GEADMM COc1ccc(C)cc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826190139 607584059 /nfs/dbraw/zinc/58/40/59/607584059.db2.gz QRFSCCJZFOTYBK-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM COc1ccc(C)cc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826190139 607584060 /nfs/dbraw/zinc/58/40/60/607584060.db2.gz QRFSCCJZFOTYBK-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1-c1nn[nH]n1 ZINC000826304033 607584176 /nfs/dbraw/zinc/58/41/76/607584176.db2.gz SIIZSEUSYVPMSE-UHFFFAOYSA-N -1 1 381.421 2.162 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1F ZINC000739903184 602776905 /nfs/dbraw/zinc/77/69/05/602776905.db2.gz JOZIJHQWLFWSSM-DVOMOZLQSA-N -1 1 381.448 2.159 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H](NC(=O)[O-])C(C)C ZINC000740080769 602793292 /nfs/dbraw/zinc/79/32/92/602793292.db2.gz RZWUZGVPYJCBBN-QGZVFWFLSA-N -1 1 377.489 2.161 20 0 GEADMM C[C@@H]1CN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739174546 602796360 /nfs/dbraw/zinc/79/63/60/602796360.db2.gz PGRSWMDQCAIUFH-RHSMWYFYSA-N -1 1 381.448 2.031 20 0 GEADMM COc1ccc(Cl)cc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826208570 607590265 /nfs/dbraw/zinc/59/02/65/607590265.db2.gz QLGCLTSFRNKAIL-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1ccc(Cl)cc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826208570 607590266 /nfs/dbraw/zinc/59/02/66/607590266.db2.gz QLGCLTSFRNKAIL-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000824901046 607591501 /nfs/dbraw/zinc/59/15/01/607591501.db2.gz XGHUDLLOGGJNMS-ONGXEEELSA-N -1 1 377.401 2.201 20 0 GEADMM C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000824901046 607591503 /nfs/dbraw/zinc/59/15/03/607591503.db2.gz XGHUDLLOGGJNMS-ONGXEEELSA-N -1 1 377.401 2.201 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2cc(F)ccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489406 607596697 /nfs/dbraw/zinc/59/66/97/607596697.db2.gz OSIDTMGWODMCSA-CQSZACIVSA-N -1 1 377.376 2.111 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824427810 607596872 /nfs/dbraw/zinc/59/68/72/607596872.db2.gz PHSKTQKCXGYMKQ-SNVBAGLBSA-N -1 1 379.392 2.227 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824427810 607596874 /nfs/dbraw/zinc/59/68/74/607596874.db2.gz PHSKTQKCXGYMKQ-SNVBAGLBSA-N -1 1 379.392 2.227 20 0 GEADMM COc1ccc2nc(C)c(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2c1 ZINC000826214083 607597839 /nfs/dbraw/zinc/59/78/39/607597839.db2.gz ZRPCJTFGSNUFLJ-UHFFFAOYSA-N -1 1 376.376 2.484 20 0 GEADMM COc1ccc2nc(C)c(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2c1 ZINC000826214083 607597840 /nfs/dbraw/zinc/59/78/40/607597840.db2.gz ZRPCJTFGSNUFLJ-UHFFFAOYSA-N -1 1 376.376 2.484 20 0 GEADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000740625548 602975828 /nfs/dbraw/zinc/97/58/28/602975828.db2.gz LCFNIXWQJSOHRG-GZMMTYOYSA-N -1 1 381.230 2.492 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)CCN1CCOC ZINC000739277797 602997414 /nfs/dbraw/zinc/99/74/14/602997414.db2.gz HSMGPAQTKQILEV-AWEZNQCLSA-N -1 1 380.445 2.360 20 0 GEADMM O=C([O-])NC[C@@H]1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000740643151 603036739 /nfs/dbraw/zinc/03/67/39/603036739.db2.gz QCTUXBZYEWLKGF-SMDDNHRTSA-N -1 1 387.358 2.280 20 0 GEADMM CC(C)(C)[C@@H](NCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)c1ccccc1 ZINC000738676412 603045322 /nfs/dbraw/zinc/04/53/22/603045322.db2.gz QEPWXAXKTSIHIL-HNNXBMFYSA-N -1 1 388.468 2.385 20 0 GEADMM CCOc1ncccc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000739511069 603058513 /nfs/dbraw/zinc/05/85/13/603058513.db2.gz DCMUBLRHYVIJEM-UHFFFAOYSA-N -1 1 382.380 2.285 20 0 GEADMM CCOc1ncccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000739511069 603058517 /nfs/dbraw/zinc/05/85/17/603058517.db2.gz DCMUBLRHYVIJEM-UHFFFAOYSA-N -1 1 382.380 2.285 20 0 GEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)Cc3ccc(NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000823865875 603078261 /nfs/dbraw/zinc/07/82/61/603078261.db2.gz YWQDWRYFTRFTRM-CQSZACIVSA-N -1 1 387.440 2.335 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)Cc3ccc(NC(=O)[O-])cc3)CCO2)[nH]1 ZINC000823865875 603078264 /nfs/dbraw/zinc/07/82/64/603078264.db2.gz YWQDWRYFTRFTRM-CQSZACIVSA-N -1 1 387.440 2.335 20 0 GEADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H](NC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000823865856 603078508 /nfs/dbraw/zinc/07/85/08/603078508.db2.gz YMQJEHVGTHNIQD-KGLIPLIRSA-N -1 1 387.440 2.011 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)[C@@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000823865856 603078512 /nfs/dbraw/zinc/07/85/12/603078512.db2.gz YMQJEHVGTHNIQD-KGLIPLIRSA-N -1 1 387.440 2.011 20 0 GEADMM COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826152427 607605362 /nfs/dbraw/zinc/60/53/62/607605362.db2.gz YUDCNFMDDFETNA-CQSZACIVSA-N -1 1 393.856 2.186 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1)N1CCCCCC1 ZINC000738629551 603100404 /nfs/dbraw/zinc/10/04/04/603100404.db2.gz HWCMYNNXTHUHRE-HNNXBMFYSA-N -1 1 375.473 2.085 20 0 GEADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739206195 603120911 /nfs/dbraw/zinc/12/09/11/603120911.db2.gz YCEFBYAMABISMR-DYVFJYSZSA-N -1 1 393.459 2.410 20 0 GEADMM Cc1cccnc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826308008 607609214 /nfs/dbraw/zinc/60/92/14/607609214.db2.gz FNJRKWNMJRHJKJ-UHFFFAOYSA-N -1 1 398.370 2.067 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000824029190 607609365 /nfs/dbraw/zinc/60/93/65/607609365.db2.gz HBZCNPRDICOSFB-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM O=S(=O)(Oc1ccccc1OC(F)F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493951 607611291 /nfs/dbraw/zinc/61/12/91/607611291.db2.gz JZFDJHKLNWKDJC-UHFFFAOYSA-N -1 1 386.311 2.375 20 0 GEADMM O=S(=O)(Oc1ccccc1OC(F)F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493951 607611292 /nfs/dbraw/zinc/61/12/92/607611292.db2.gz JZFDJHKLNWKDJC-UHFFFAOYSA-N -1 1 386.311 2.375 20 0 GEADMM Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826339042 607615584 /nfs/dbraw/zinc/61/55/84/607615584.db2.gz PERAOZFPGUZDEC-MRVPVSSYSA-N -1 1 382.833 2.164 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739456152 603235010 /nfs/dbraw/zinc/23/50/10/603235010.db2.gz MTEACESNLWVPPY-LSDHHAIUSA-N -1 1 392.475 2.145 20 0 GEADMM O=C([O-])N1CCC[C@@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000739381470 603252721 /nfs/dbraw/zinc/25/27/21/603252721.db2.gz RLWMCLITPBSJJE-QGZVFWFLSA-N -1 1 378.448 2.232 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000738824606 603268352 /nfs/dbraw/zinc/26/83/52/603268352.db2.gz KBDNYMAHKPIFJG-HZPDHXFCSA-N -1 1 383.876 2.122 20 0 GEADMM C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826056374 603270138 /nfs/dbraw/zinc/27/01/38/603270138.db2.gz CBCZREZGHQIYCO-YFHUEUNASA-N -1 1 377.485 2.247 20 0 GEADMM Cc1ccc(C[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826287362 607621574 /nfs/dbraw/zinc/62/15/74/607621574.db2.gz LYAUSZLQRHLQKT-SECBINFHSA-N -1 1 381.458 2.285 20 0 GEADMM Cc1ccc(C[C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826287362 607621576 /nfs/dbraw/zinc/62/15/76/607621576.db2.gz LYAUSZLQRHLQKT-SECBINFHSA-N -1 1 381.458 2.285 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000826058026 603318924 /nfs/dbraw/zinc/31/89/24/603318924.db2.gz MHVJOCIQBXQIRK-FCEWJHQRSA-N -1 1 389.496 2.445 20 0 GEADMM CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739452424 603322321 /nfs/dbraw/zinc/32/23/21/603322321.db2.gz RNBKJJJXYFENGD-LBPRGKRZSA-N -1 1 390.440 2.174 20 0 GEADMM O=C([O-])NCc1cccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000740675323 603328344 /nfs/dbraw/zinc/32/83/44/603328344.db2.gz BTEKKSXGPUJKAM-UHFFFAOYSA-N -1 1 390.484 2.420 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@H](C)O1 ZINC000739181551 603338702 /nfs/dbraw/zinc/33/87/02/603338702.db2.gz JWOIVIJSURYIAY-GJZGRUSLSA-N -1 1 378.473 2.417 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C(=O)[O-] ZINC000739449618 603355708 /nfs/dbraw/zinc/35/57/08/603355708.db2.gz ZHMNWXWGEPAYCO-ZWKOTPCHSA-N -1 1 390.484 2.249 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000738823005 603362835 /nfs/dbraw/zinc/36/28/35/603362835.db2.gz DGESLIFQSSGVED-KRWDZBQOSA-N -1 1 378.473 2.275 20 0 GEADMM C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824457189 607627967 /nfs/dbraw/zinc/62/79/67/607627967.db2.gz GZTKPYRGVVPENY-JTQLQIEISA-N -1 1 393.856 2.135 20 0 GEADMM C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824457189 607627968 /nfs/dbraw/zinc/62/79/68/607627968.db2.gz GZTKPYRGVVPENY-JTQLQIEISA-N -1 1 393.856 2.135 20 0 GEADMM C[C@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823669507 603426331 /nfs/dbraw/zinc/42/63/31/603426331.db2.gz OGCUDYYNTMZARV-UHOSZYNNSA-N -1 1 389.496 2.345 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)N2CCCC2)c1 ZINC000829544039 603426976 /nfs/dbraw/zinc/42/69/76/603426976.db2.gz RJUMBMXDDPXGPC-JZXOWHBKSA-N -1 1 375.469 2.385 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000829362363 603437651 /nfs/dbraw/zinc/43/76/51/603437651.db2.gz KJLLBPYZBZYEHO-IAGOWNOFSA-N -1 1 375.469 2.166 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]([C@H](C)O)C2)c1-c1nn[n-]n1 ZINC000826231707 607629583 /nfs/dbraw/zinc/62/95/83/607629583.db2.gz XACUQOIHLXDXIN-JQWIXIFHSA-N -1 1 388.497 2.094 20 0 GEADMM Cc1nc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CCCN4C(=O)[O-])CCO2)n[nH]1 ZINC000830678432 603454705 /nfs/dbraw/zinc/45/47/05/603454705.db2.gz OMXIKPMPBGZNJX-HNNXBMFYSA-N -1 1 386.412 2.149 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000826057683 603469643 /nfs/dbraw/zinc/46/96/43/603469643.db2.gz JTSLBJDUWZLJLL-OHDICMOHSA-N -1 1 389.496 2.348 20 0 GEADMM O=C([O-])NCCc1ccc(CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000832672786 603484770 /nfs/dbraw/zinc/48/47/70/603484770.db2.gz TWMLKXVNWVFPER-UHFFFAOYSA-N -1 1 384.508 2.045 20 0 GEADMM O=C([O-])NCCOc1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000832668423 603486335 /nfs/dbraw/zinc/48/63/35/603486335.db2.gz LHQRRFBZNTZCJM-UHFFFAOYSA-N -1 1 386.480 2.204 20 0 GEADMM O=C([O-])NC[C@@H](NC(=O)CSc1n[nH]c(=S)s1)C1CCCCC1 ZINC000832422604 603491357 /nfs/dbraw/zinc/49/13/57/603491357.db2.gz XNFBEHSABZGPRS-SECBINFHSA-N -1 1 376.529 2.252 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@H](C)C3)n[nH]2)cc1OC ZINC000829234743 603539117 /nfs/dbraw/zinc/53/91/17/603539117.db2.gz SEIRCTKQYXOCII-VXGBXAGGSA-N -1 1 388.424 2.307 20 0 GEADMM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825081252 603542814 /nfs/dbraw/zinc/54/28/14/603542814.db2.gz BCIIJXAGXMUYAN-DZKIICNBSA-N -1 1 392.475 2.191 20 0 GEADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828624218 603548642 /nfs/dbraw/zinc/54/86/42/603548642.db2.gz LTWKNMZBWHLZRL-VMXHOPILSA-N -1 1 390.480 2.032 20 0 GEADMM O=C([O-])N1CCC(C(=O)N2CCC(c3nc[nH]n3)CC2)(c2ccccc2)CC1 ZINC000831862647 603566483 /nfs/dbraw/zinc/56/64/83/603566483.db2.gz AYADQRWJVLJMMC-UHFFFAOYSA-N -1 1 383.452 2.223 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CC2CN(C(=O)[O-])C2)CC1 ZINC000827227585 603568716 /nfs/dbraw/zinc/56/87/16/603568716.db2.gz GQHSOMDKFWTPJA-CQSZACIVSA-N -1 1 392.475 2.145 20 0 GEADMM CN(CC1CCCCC1)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000828175701 603591927 /nfs/dbraw/zinc/59/19/27/603591927.db2.gz KVDVLACILRLLLA-KXBFYZLASA-N -1 1 380.489 2.204 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CN1CCC3(C1)CCCCC3)C2=O ZINC000832498365 603606743 /nfs/dbraw/zinc/60/67/43/603606743.db2.gz HEFLRDAULFZPTL-FOIQADDNSA-N -1 1 392.500 2.349 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829313124 603611371 /nfs/dbraw/zinc/61/13/71/603611371.db2.gz ZZXLAXPJNBGTQG-AEFFLSMTSA-N -1 1 390.484 2.226 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)N1CCCC1 ZINC000829598569 603613736 /nfs/dbraw/zinc/61/37/36/603613736.db2.gz PKZVOBDGGSKNDT-WBVHZDCISA-N -1 1 390.484 2.226 20 0 GEADMM NC(=O)[C@H](N[C@@H]1CCC[C@@H]1CNC(=O)[O-])c1ccc(Br)cc1F ZINC000831167884 603651031 /nfs/dbraw/zinc/65/10/31/603651031.db2.gz SCUWKHRZLKTNIB-BZHVJNSISA-N -1 1 388.237 2.141 20 0 GEADMM Cc1cccc([C@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826296234 607644197 /nfs/dbraw/zinc/64/41/97/607644197.db2.gz OJBSABLKAKZEFW-GFCCVEGCSA-N -1 1 375.429 2.396 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000825192164 603718111 /nfs/dbraw/zinc/71/81/11/603718111.db2.gz CHULEXSEWOMFRW-QFBILLFUSA-N -1 1 388.512 2.085 20 0 GEADMM COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H]3CCCN(C(=O)[O-])C3)C2=O)c1 ZINC000829211235 603731688 /nfs/dbraw/zinc/73/16/88/603731688.db2.gz OSGSZBVVEBDSPP-KSSFIOAISA-N -1 1 391.468 2.131 20 0 GEADMM O=C([O-])NCC1(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)CCCC1 ZINC000832443204 603796046 /nfs/dbraw/zinc/79/60/46/603796046.db2.gz UODUNLAWWKZXRI-UHFFFAOYSA-N -1 1 387.440 2.166 20 0 GEADMM Cc1ccccc1O[C@@H](C)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826307425 607651620 /nfs/dbraw/zinc/65/16/20/607651620.db2.gz HTCJJWPILVVXRS-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829310377 603812424 /nfs/dbraw/zinc/81/24/24/603812424.db2.gz HUAYSMKAHOEZTN-APWZRJJASA-N -1 1 379.432 2.040 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829310385 603812473 /nfs/dbraw/zinc/81/24/73/603812473.db2.gz HUAYSMKAHOEZTN-LPHOPBHVSA-N -1 1 379.432 2.040 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Sc1ccccc1 ZINC000824428090 607652016 /nfs/dbraw/zinc/65/20/16/607652016.db2.gz PSXAEWQLWJRLLF-NSHDSACASA-N -1 1 393.469 2.465 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Sc1ccccc1 ZINC000824428090 607652018 /nfs/dbraw/zinc/65/20/18/607652018.db2.gz PSXAEWQLWJRLLF-NSHDSACASA-N -1 1 393.469 2.465 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Sc1ccccc1 ZINC000824429414 607652533 /nfs/dbraw/zinc/65/25/33/607652533.db2.gz WGQXCDHQPYWZIX-NSHDSACASA-N -1 1 393.469 2.465 20 0 GEADMM CNS(=O)(=O)Cc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000828579627 603854665 /nfs/dbraw/zinc/85/46/65/603854665.db2.gz OMGLGTUJNMNFGS-UHFFFAOYSA-N -1 1 389.477 2.066 20 0 GEADMM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)COC3)OCO2 ZINC000832828340 603889511 /nfs/dbraw/zinc/88/95/11/603889511.db2.gz FUKKIWNICXPGEM-UHFFFAOYSA-N -1 1 378.362 2.336 20 0 GEADMM Nc1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc(Cl)n1 ZINC000831259268 603913752 /nfs/dbraw/zinc/91/37/52/603913752.db2.gz DJGAVCDEDJXGPA-UHFFFAOYSA-N -1 1 387.787 2.122 20 0 GEADMM Nc1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc(Cl)n1 ZINC000831259268 603913754 /nfs/dbraw/zinc/91/37/54/603913754.db2.gz DJGAVCDEDJXGPA-UHFFFAOYSA-N -1 1 387.787 2.122 20 0 GEADMM CCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCC1 ZINC000825176326 607660837 /nfs/dbraw/zinc/66/08/37/607660837.db2.gz PHYASPLFHBFKEZ-UHFFFAOYSA-N -1 1 375.376 2.497 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(Cc1ccccc1)CC(F)F ZINC000826495482 607661811 /nfs/dbraw/zinc/66/18/11/607661811.db2.gz QMZNBRYFIVTNLF-UHFFFAOYSA-N -1 1 397.382 2.462 20 0 GEADMM COC1(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CCN(C(=O)[O-])CC1 ZINC000828855383 603971046 /nfs/dbraw/zinc/97/10/46/603971046.db2.gz AUSBTSDKGQKMRM-OAHLLOKOSA-N -1 1 383.876 2.218 20 0 GEADMM CCN(CC)C(=O)c1ccc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000827029362 603984168 /nfs/dbraw/zinc/98/41/68/603984168.db2.gz JRLWGBLMXRRZQL-UHFFFAOYSA-N -1 1 390.484 2.181 20 0 GEADMM CC(C)[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccnc1 ZINC000824190970 607664765 /nfs/dbraw/zinc/66/47/65/607664765.db2.gz CCUXDVDUPJAZRX-ZDUSSCGKSA-N -1 1 390.444 2.119 20 0 GEADMM CC(C)[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccnc1 ZINC000824190970 607664767 /nfs/dbraw/zinc/66/47/67/607664767.db2.gz CCUXDVDUPJAZRX-ZDUSSCGKSA-N -1 1 390.444 2.119 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1(NC(=O)[O-])CCCC1 ZINC000827418058 604015056 /nfs/dbraw/zinc/01/50/56/604015056.db2.gz JPZAUCGJYGLTJN-UHFFFAOYSA-N -1 1 390.484 2.356 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824640099 607666488 /nfs/dbraw/zinc/66/64/88/607666488.db2.gz AJEWHWZXLMPBGC-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM CCO[C@@H](C)c1nc(CN2CCN(C[C@H]3CCN(C(=O)[O-])C3)CC2)cs1 ZINC000827362831 604058840 /nfs/dbraw/zinc/05/88/40/604058840.db2.gz UGGLLXQKYJKRSB-LSDHHAIUSA-N -1 1 382.530 2.358 20 0 GEADMM O=S(=O)(NC1(Cc2ccccc2)CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487249 607672610 /nfs/dbraw/zinc/67/26/10/607672610.db2.gz IXGTXLIDCJKWIE-UHFFFAOYSA-N -1 1 387.440 2.450 20 0 GEADMM O=S(=O)(NC1(Cc2ccccc2)CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487249 607672612 /nfs/dbraw/zinc/67/26/12/607672612.db2.gz IXGTXLIDCJKWIE-UHFFFAOYSA-N -1 1 387.440 2.450 20 0 GEADMM C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825166855 604134919 /nfs/dbraw/zinc/13/49/19/604134919.db2.gz UZSCBIWOMMGDCX-HOCLYGCPSA-N -1 1 380.464 2.335 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000832516321 604146052 /nfs/dbraw/zinc/14/60/52/604146052.db2.gz USBMTOWTZFAHBO-TZMCWYRMSA-N -1 1 390.419 2.236 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000832516321 604146054 /nfs/dbraw/zinc/14/60/54/604146054.db2.gz USBMTOWTZFAHBO-TZMCWYRMSA-N -1 1 390.419 2.236 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000832516218 604146153 /nfs/dbraw/zinc/14/61/53/604146153.db2.gz USBMTOWTZFAHBO-GXTWGEPZSA-N -1 1 390.419 2.236 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000832516218 604146155 /nfs/dbraw/zinc/14/61/55/604146155.db2.gz USBMTOWTZFAHBO-GXTWGEPZSA-N -1 1 390.419 2.236 20 0 GEADMM O=S(=O)(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489609 607676073 /nfs/dbraw/zinc/67/60/73/607676073.db2.gz VHEYMZJAROKCST-ZDUSSCGKSA-N -1 1 395.460 2.166 20 0 GEADMM O=S(=O)(NCCC[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490815 607677280 /nfs/dbraw/zinc/67/72/80/607677280.db2.gz INXVNDAHCLERES-YPMHNXCESA-N -1 1 399.904 2.130 20 0 GEADMM O=S(=O)(NCCC[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490815 607677281 /nfs/dbraw/zinc/67/72/81/607677281.db2.gz INXVNDAHCLERES-YPMHNXCESA-N -1 1 399.904 2.130 20 0 GEADMM Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830493644 604189024 /nfs/dbraw/zinc/18/90/24/604189024.db2.gz QWRTUPDKLJNEED-DLBZAZTESA-N -1 1 377.485 2.167 20 0 GEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1OC ZINC000829440510 604190984 /nfs/dbraw/zinc/19/09/84/604190984.db2.gz CLPAGCIVZJHSKI-RDBSUJKOSA-N -1 1 379.457 2.399 20 0 GEADMM Cc1cccc(N2CCN(C(=O)CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)CC2)c1 ZINC000830506313 604216478 /nfs/dbraw/zinc/21/64/78/604216478.db2.gz ZOZXHZHNJLZLIA-QZTJIDSGSA-N -1 1 388.512 2.012 20 0 GEADMM 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SKQOQPAFXYSSMN-OAHLLOKOSA-N -1 1 393.488 2.185 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)nn1-c1ccc(Cl)cc1 ZINC000833742567 605408069 /nfs/dbraw/zinc/40/80/69/605408069.db2.gz OXRJQPLGRJJPKH-CQSZACIVSA-N -1 1 390.871 2.455 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833790136 605450153 /nfs/dbraw/zinc/45/01/53/605450153.db2.gz MZVISGVTUJQPON-VRKREXBASA-N -1 1 389.452 2.153 20 0 GEADMM Cn1nc(C(C)(C)C)cc1NC(=O)CN1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833956048 605450326 /nfs/dbraw/zinc/45/03/26/605450326.db2.gz CMHDMYHKOGFROW-MELADBBJSA-N -1 1 377.489 2.024 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccsc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833594831 605478813 /nfs/dbraw/zinc/47/88/13/605478813.db2.gz AQXSXFLHXPKBHS-OCCSQVGLSA-N -1 1 387.461 2.164 20 0 GEADMM CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000833738209 605486213 /nfs/dbraw/zinc/48/62/13/605486213.db2.gz SSBBHRHIAKHVPE-UHFFFAOYSA-N -1 1 389.838 2.243 20 0 GEADMM CC(C)CN1Cc2cccc(NC(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C)c2C1 ZINC000833797557 605501804 /nfs/dbraw/zinc/50/18/04/605501804.db2.gz YRFQHRSMMFSHMS-SFHVURJKSA-N -1 1 390.484 2.005 20 0 GEADMM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=N)NOCc1ccc(C(=O)[O-])cc1F ZINC000833441913 605561425 /nfs/dbraw/zinc/56/14/25/605561425.db2.gz QBJGFNLXZGNVJK-AWEZNQCLSA-N -1 1 397.403 2.158 20 0 GEADMM O=C([O-])N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CCCCC4)CC3)cn2)C1 ZINC000834102500 605564270 /nfs/dbraw/zinc/56/42/70/605564270.db2.gz DRTJKGQOTBXCJA-GOSISDBHSA-N -1 1 389.500 2.289 20 0 GEADMM O=C([O-])N1CCC[C@H](N(CC[C@@H]2CCS(=O)(=O)C2)Cc2ccccc2)C1 ZINC000834098324 605596568 /nfs/dbraw/zinc/59/65/68/605596568.db2.gz JLKNNNWRIINYNB-MSOLQXFVSA-N -1 1 380.510 2.456 20 0 GEADMM O=C([O-])N1CC(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000834034261 605738240 /nfs/dbraw/zinc/73/82/40/605738240.db2.gz RSMZPRSWNMFJCH-UHFFFAOYSA-N -1 1 380.876 2.213 20 0 GEADMM O=C([O-])N1CCN(C(=O)CSc2n[nH]c(=S)s2)C2(CCCCC2)C1 ZINC000832023910 605751318 /nfs/dbraw/zinc/75/13/18/605751318.db2.gz AUXAQEPMHTWAEF-UHFFFAOYSA-N -1 1 388.540 2.444 20 0 GEADMM O=C([O-])N[C@H]1C[C@@H](NCCS(=O)(=O)NCc2ccccc2)c2ccccc21 ZINC000834157640 605794380 /nfs/dbraw/zinc/79/43/80/605794380.db2.gz ILQLHQOYYRQUEG-MSOLQXFVSA-N -1 1 389.477 2.149 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[C@H](c3n[nH]c(C4CC4)n3)C1)C2 ZINC000834018186 605821857 /nfs/dbraw/zinc/82/18/57/605821857.db2.gz XTAIVNKIOOVDDZ-AVOUXACISA-N -1 1 388.472 2.245 20 0 GEADMM O=C([O-])N1CCCC[C@@H](NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834106672 605822520 /nfs/dbraw/zinc/82/25/20/605822520.db2.gz FEHCKVHAGWPBAC-UONOGXRCSA-N -1 1 376.461 2.104 20 0 GEADMM [O-]c1ccc(-c2noc(CSc3nnnn3CC(F)(F)F)n2)cc1F ZINC000445479950 649961849 /nfs/dbraw/zinc/96/18/49/649961849.db2.gz XESGEUBWYQOHEO-UHFFFAOYSA-N -1 1 376.295 2.422 20 0 GEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc(OC)c1C(C)C ZINC000833726764 605856790 /nfs/dbraw/zinc/85/67/90/605856790.db2.gz IKHFCASSZUONLY-AWEZNQCLSA-N -1 1 378.469 2.448 20 0 GEADMM C[C@@H]1CN(C(=O)[C@]2(C)CCCCN2C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833617312 605857151 /nfs/dbraw/zinc/85/71/51/605857151.db2.gz CAEGGAMMPIZRKR-QRWLVFNGSA-N -1 1 397.516 2.174 20 0 GEADMM CCc1c(NC(=O)C[C@H]2CSCCN2C(=O)[O-])[nH]nc1-c1ccncc1 ZINC000827552616 605890208 /nfs/dbraw/zinc/89/02/08/605890208.db2.gz XTJPQJWOAYXRJM-LBPRGKRZSA-N -1 1 375.454 2.458 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833829664 605898900 /nfs/dbraw/zinc/89/89/00/605898900.db2.gz IGGSWFQQKYSUGK-ILXRZTDVSA-N -1 1 388.468 2.118 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833829666 605899687 /nfs/dbraw/zinc/89/96/87/605899687.db2.gz IGGSWFQQKYSUGK-QLFBSQMISA-N -1 1 388.468 2.118 20 0 GEADMM O=C([O-])N1CCC2(CCN(C(=O)NCc3n[nH]c(-c4ccccc4)n3)C2)CC1 ZINC000834089917 605933099 /nfs/dbraw/zinc/93/30/99/605933099.db2.gz HQHMZROVXBFHMU-UHFFFAOYSA-N -1 1 384.440 2.147 20 0 GEADMM O=C([O-])N1CCC2(CCN(C(=O)NCc3nc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000834089917 605933104 /nfs/dbraw/zinc/93/31/04/605933104.db2.gz HQHMZROVXBFHMU-UHFFFAOYSA-N -1 1 384.440 2.147 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820227487 605937063 /nfs/dbraw/zinc/93/70/63/605937063.db2.gz HGVASLJMZOCPKQ-GOEBONIOSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000820227487 605937065 /nfs/dbraw/zinc/93/70/65/605937065.db2.gz HGVASLJMZOCPKQ-GOEBONIOSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596175 605938911 /nfs/dbraw/zinc/93/89/11/605938911.db2.gz JGFKHTRPWWKGDR-HIFRSBDPSA-N -1 1 399.422 2.242 20 0 GEADMM CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])n[nH]1 ZINC000833512973 605944017 /nfs/dbraw/zinc/94/40/17/605944017.db2.gz XGMBMKYWYMVTDN-QMMMGPOBSA-N -1 1 379.804 2.096 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170310 605975707 /nfs/dbraw/zinc/97/57/07/605975707.db2.gz SUFOYUFIHYSIMB-GDBMZVCRSA-N -1 1 375.469 2.408 20 0 GEADMM CCc1oc(C(=O)OC)cc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000821563754 606018598 /nfs/dbraw/zinc/01/85/98/606018598.db2.gz DKOOKJVKXDSRBF-UHFFFAOYSA-N -1 1 379.376 2.172 20 0 GEADMM O=C([O-])N1CCC(CCC(=O)N2CCC(CCN3CCOCC3)CC2)CC1 ZINC000834074386 606026750 /nfs/dbraw/zinc/02/67/50/606026750.db2.gz WDMCJBWTQGNQGW-UHFFFAOYSA-N -1 1 381.517 2.118 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000822006244 606110328 /nfs/dbraw/zinc/11/03/28/606110328.db2.gz ZKNSNRNMPUTWLG-UHFFFAOYSA-N -1 1 399.455 2.119 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000822457886 606120655 /nfs/dbraw/zinc/12/06/55/606120655.db2.gz AQJYZTLETOARJT-HUUCEWRRSA-N -1 1 394.483 2.107 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000822457886 606120657 /nfs/dbraw/zinc/12/06/57/606120657.db2.gz AQJYZTLETOARJT-HUUCEWRRSA-N -1 1 394.483 2.107 20 0 GEADMM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819845161 606135201 /nfs/dbraw/zinc/13/52/01/606135201.db2.gz PTOBXQCKLPDDNV-SNVBAGLBSA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819845161 606135203 /nfs/dbraw/zinc/13/52/03/606135203.db2.gz PTOBXQCKLPDDNV-SNVBAGLBSA-N -1 1 385.405 2.315 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccnc1Cl ZINC000820511871 606135583 /nfs/dbraw/zinc/13/55/83/606135583.db2.gz DQFDJGGPPBLZKI-ZETCQYMHSA-N -1 1 378.801 2.161 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccnc1Cl ZINC000820511871 606135584 /nfs/dbraw/zinc/13/55/84/606135584.db2.gz DQFDJGGPPBLZKI-ZETCQYMHSA-N -1 1 378.801 2.161 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1cccc(F)c1 ZINC000820727129 606144213 /nfs/dbraw/zinc/14/42/13/606144213.db2.gz HCNGNMMZWDURRC-MEDUHNTESA-N -1 1 388.428 2.173 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1cccc(F)c1 ZINC000820727129 606144216 /nfs/dbraw/zinc/14/42/16/606144216.db2.gz HCNGNMMZWDURRC-MEDUHNTESA-N -1 1 388.428 2.173 20 0 GEADMM CCc1cnc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000821496177 606146328 /nfs/dbraw/zinc/14/63/28/606146328.db2.gz DVLLUIQFZUIROX-UHFFFAOYSA-N -1 1 398.901 2.360 20 0 GEADMM CCc1cnc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000821496177 606146329 /nfs/dbraw/zinc/14/63/29/606146329.db2.gz DVLLUIQFZUIROX-UHFFFAOYSA-N -1 1 398.901 2.360 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614876 606156321 /nfs/dbraw/zinc/15/63/21/606156321.db2.gz VURVZRZOTIEGJM-BXKDBHETSA-N -1 1 392.345 2.297 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614876 606156323 /nfs/dbraw/zinc/15/63/23/606156323.db2.gz VURVZRZOTIEGJM-BXKDBHETSA-N -1 1 392.345 2.297 20 0 GEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820020404 606160886 /nfs/dbraw/zinc/16/08/86/606160886.db2.gz FUPNKZFWRHWOLD-HNNXBMFYSA-N -1 1 386.435 2.470 20 0 GEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820020404 606160888 /nfs/dbraw/zinc/16/08/88/606160888.db2.gz FUPNKZFWRHWOLD-HNNXBMFYSA-N -1 1 386.435 2.470 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000822620578 606167290 /nfs/dbraw/zinc/16/72/90/606167290.db2.gz XLVYURQENGNZCY-UHFFFAOYSA-N -1 1 384.297 2.080 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000822620578 606167292 /nfs/dbraw/zinc/16/72/92/606167292.db2.gz XLVYURQENGNZCY-UHFFFAOYSA-N -1 1 384.297 2.080 20 0 GEADMM CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000821553004 606187899 /nfs/dbraw/zinc/18/78/99/606187899.db2.gz DMKPQRYWZUJEQH-UHFFFAOYSA-N -1 1 376.380 2.435 20 0 GEADMM CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000821553004 606187902 /nfs/dbraw/zinc/18/79/02/606187902.db2.gz DMKPQRYWZUJEQH-UHFFFAOYSA-N -1 1 376.380 2.435 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(OCC(F)(F)F)nc1 ZINC000823294810 606195910 /nfs/dbraw/zinc/19/59/10/606195910.db2.gz SCJCBLDNTHGKCW-UHFFFAOYSA-N -1 1 380.286 2.161 20 0 GEADMM O=C(CCCNC(=O)OCc1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822958898 606196047 /nfs/dbraw/zinc/19/60/47/606196047.db2.gz MHWJSZJDQOQWDF-UHFFFAOYSA-N -1 1 396.407 2.217 20 0 GEADMM COC(=O)/C(C)=C/COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000821638828 606226317 /nfs/dbraw/zinc/22/63/17/606226317.db2.gz JCXKBZJJFRXNGG-RMKNXTFCSA-N -1 1 389.437 2.137 20 0 GEADMM COC(=O)/C(C)=C/COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821638828 606226320 /nfs/dbraw/zinc/22/63/20/606226320.db2.gz JCXKBZJJFRXNGG-RMKNXTFCSA-N -1 1 389.437 2.137 20 0 GEADMM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821438326 606293094 /nfs/dbraw/zinc/29/30/94/606293094.db2.gz ZGPFZIOSASLWFN-UHFFFAOYSA-N -1 1 391.391 2.409 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000823294507 606293466 /nfs/dbraw/zinc/29/34/66/606293466.db2.gz DQVOAPYPHPPYAX-UHFFFAOYSA-N -1 1 392.419 2.063 20 0 GEADMM CC(C)COC(=O)N1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000820097697 606294055 /nfs/dbraw/zinc/29/40/55/606294055.db2.gz RTVCZRAARYACQJ-UHFFFAOYSA-N -1 1 388.428 2.015 20 0 GEADMM COc1cc2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])[nH]c2cc1OC ZINC000821727316 606296766 /nfs/dbraw/zinc/29/67/66/606296766.db2.gz HJMJQUBZWDBHKY-UHFFFAOYSA-N -1 1 380.364 2.323 20 0 GEADMM CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000820011049 606296975 /nfs/dbraw/zinc/29/69/75/606296975.db2.gz GZAJVCPBBBISIX-UHFFFAOYSA-N -1 1 394.435 2.439 20 0 GEADMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823082645 606297052 /nfs/dbraw/zinc/29/70/52/606297052.db2.gz NYILLYHNKRSOLV-UHFFFAOYSA-N -1 1 378.392 2.102 20 0 GEADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819796377 606297104 /nfs/dbraw/zinc/29/71/04/606297104.db2.gz GTRZLRGMBGPTMX-QGZVFWFLSA-N -1 1 392.419 2.047 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000821970803 606299211 /nfs/dbraw/zinc/29/92/11/606299211.db2.gz SHEICSQZNGWKMT-LBPRGKRZSA-N -1 1 382.449 2.146 20 0 GEADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938521 606380189 /nfs/dbraw/zinc/38/01/89/606380189.db2.gz KRRPXCAYWVNWPL-MRXNPFEDSA-N -1 1 394.391 2.038 20 0 GEADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000820938521 606380191 /nfs/dbraw/zinc/38/01/91/606380191.db2.gz KRRPXCAYWVNWPL-MRXNPFEDSA-N -1 1 394.391 2.038 20 0 GEADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1Br ZINC000820281835 606401951 /nfs/dbraw/zinc/40/19/51/606401951.db2.gz YLLKLMSYLYADLC-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1Br ZINC000820281835 606401953 /nfs/dbraw/zinc/40/19/53/606401953.db2.gz YLLKLMSYLYADLC-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000819939501 606458126 /nfs/dbraw/zinc/45/81/26/606458126.db2.gz DYAPCAJZLHKPRE-MRVPVSSYSA-N -1 1 385.881 2.470 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000819939501 606458127 /nfs/dbraw/zinc/45/81/27/606458127.db2.gz DYAPCAJZLHKPRE-MRVPVSSYSA-N -1 1 385.881 2.470 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823600037 606474396 /nfs/dbraw/zinc/47/43/96/606474396.db2.gz BZJXGBBTRHOLQK-UONOGXRCSA-N -1 1 383.474 2.055 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823606542 606474413 /nfs/dbraw/zinc/47/44/13/606474413.db2.gz KSKHYMRZXSTNSH-NEPJUHHUSA-N -1 1 383.474 2.055 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823606542 606474414 /nfs/dbraw/zinc/47/44/14/606474414.db2.gz KSKHYMRZXSTNSH-NEPJUHHUSA-N -1 1 383.474 2.055 20 0 GEADMM CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821170656 606493401 /nfs/dbraw/zinc/49/34/01/606493401.db2.gz UXYCSHAPBORQGD-AWEZNQCLSA-N -1 1 398.492 2.138 20 0 GEADMM CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821170656 606493402 /nfs/dbraw/zinc/49/34/02/606493402.db2.gz UXYCSHAPBORQGD-AWEZNQCLSA-N -1 1 398.492 2.138 20 0 GEADMM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821170658 606493651 /nfs/dbraw/zinc/49/36/51/606493651.db2.gz UXYCSHAPBORQGD-CQSZACIVSA-N -1 1 398.492 2.138 20 0 GEADMM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821170658 606493653 /nfs/dbraw/zinc/49/36/53/606493653.db2.gz UXYCSHAPBORQGD-CQSZACIVSA-N -1 1 398.492 2.138 20 0 GEADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1N1CCCC1=O ZINC000821720469 606500678 /nfs/dbraw/zinc/50/06/78/606500678.db2.gz SAUQMIVKAOXNFW-UHFFFAOYSA-N -1 1 384.421 2.316 20 0 GEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1N1CCCC1=O ZINC000821720469 606500679 /nfs/dbraw/zinc/50/06/79/606500679.db2.gz SAUQMIVKAOXNFW-UHFFFAOYSA-N -1 1 384.421 2.316 20 0 GEADMM Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822345671 606510840 /nfs/dbraw/zinc/51/08/40/606510840.db2.gz OQWXTHUVNZRTSL-UHFFFAOYSA-N -1 1 396.476 2.271 20 0 GEADMM Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822345671 606510842 /nfs/dbraw/zinc/51/08/42/606510842.db2.gz OQWXTHUVNZRTSL-UHFFFAOYSA-N -1 1 396.476 2.271 20 0 GEADMM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821594074 606518452 /nfs/dbraw/zinc/51/84/52/606518452.db2.gz XOMOVGUTDFKISS-UHFFFAOYSA-N -1 1 376.829 2.292 20 0 GEADMM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821594074 606518453 /nfs/dbraw/zinc/51/84/53/606518453.db2.gz XOMOVGUTDFKISS-UHFFFAOYSA-N -1 1 376.829 2.292 20 0 GEADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC000821640896 606523137 /nfs/dbraw/zinc/52/31/37/606523137.db2.gz RGYGXWDMOCQRSY-GFCCVEGCSA-N -1 1 377.813 2.226 20 0 GEADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC000821640896 606523138 /nfs/dbraw/zinc/52/31/38/606523138.db2.gz RGYGXWDMOCQRSY-GFCCVEGCSA-N -1 1 377.813 2.226 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000823487741 606526887 /nfs/dbraw/zinc/52/68/87/606526887.db2.gz HATNHZLJQBXGFH-UHFFFAOYSA-N -1 1 377.433 2.312 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000823487741 606526888 /nfs/dbraw/zinc/52/68/88/606526888.db2.gz HATNHZLJQBXGFH-UHFFFAOYSA-N -1 1 377.433 2.312 20 0 GEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000823289081 606532477 /nfs/dbraw/zinc/53/24/77/606532477.db2.gz ASCRCAPUCQPORP-UHFFFAOYSA-N -1 1 395.404 2.342 20 0 GEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000823289081 606532478 /nfs/dbraw/zinc/53/24/78/606532478.db2.gz ASCRCAPUCQPORP-UHFFFAOYSA-N -1 1 395.404 2.342 20 0 GEADMM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821727830 606533063 /nfs/dbraw/zinc/53/30/63/606533063.db2.gz OUKNLOYSCKJSMX-UHFFFAOYSA-N -1 1 385.449 2.186 20 0 GEADMM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821727830 606533064 /nfs/dbraw/zinc/53/30/64/606533064.db2.gz OUKNLOYSCKJSMX-UHFFFAOYSA-N -1 1 385.449 2.186 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(N2CCOC2=O)c1 ZINC000820391137 606535586 /nfs/dbraw/zinc/53/55/86/606535586.db2.gz NNXWDIRGHGLLFC-JTQLQIEISA-N -1 1 384.421 2.376 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(N2CCOC2=O)c1 ZINC000820391137 606535587 /nfs/dbraw/zinc/53/55/87/606535587.db2.gz NNXWDIRGHGLLFC-JTQLQIEISA-N -1 1 384.421 2.376 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819939817 606556127 /nfs/dbraw/zinc/55/61/27/606556127.db2.gz KIEDTEDMBAVNDW-QGZVFWFLSA-N -1 1 392.485 2.351 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819939817 606556128 /nfs/dbraw/zinc/55/61/28/606556128.db2.gz KIEDTEDMBAVNDW-QGZVFWFLSA-N -1 1 392.485 2.351 20 0 GEADMM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821330391 606558424 /nfs/dbraw/zinc/55/84/24/606558424.db2.gz KHIWJIPBMBWWOJ-UHFFFAOYSA-N -1 1 385.449 2.176 20 0 GEADMM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821330391 606558425 /nfs/dbraw/zinc/55/84/25/606558425.db2.gz KHIWJIPBMBWWOJ-UHFFFAOYSA-N -1 1 385.449 2.176 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000820741426 606561896 /nfs/dbraw/zinc/56/18/96/606561896.db2.gz DBKODCHSNCTICW-GHMZBOCLSA-N -1 1 392.485 2.398 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000820741426 606561898 /nfs/dbraw/zinc/56/18/98/606561898.db2.gz DBKODCHSNCTICW-GHMZBOCLSA-N -1 1 392.485 2.398 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCN1C(=O)OC(C)(C)C ZINC000820742752 606572587 /nfs/dbraw/zinc/57/25/87/606572587.db2.gz MXNUCJVWLAZPAR-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1C(=O)OC(C)(C)C ZINC000820742752 606572589 /nfs/dbraw/zinc/57/25/89/606572589.db2.gz MXNUCJVWLAZPAR-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939409 606573451 /nfs/dbraw/zinc/57/34/51/606573451.db2.gz AYULHIVTIWNTSS-MNOVXSKESA-N -1 1 392.485 2.351 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939409 606573453 /nfs/dbraw/zinc/57/34/53/606573453.db2.gz AYULHIVTIWNTSS-MNOVXSKESA-N -1 1 392.485 2.351 20 0 GEADMM O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823289560 606578554 /nfs/dbraw/zinc/57/85/54/606578554.db2.gz LBXDRMHOUHFFPB-UHFFFAOYSA-N -1 1 381.377 2.299 20 0 GEADMM O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823289560 606578555 /nfs/dbraw/zinc/57/85/55/606578555.db2.gz LBXDRMHOUHFFPB-UHFFFAOYSA-N -1 1 381.377 2.299 20 0 GEADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(C)C ZINC000821071502 606579260 /nfs/dbraw/zinc/57/92/60/606579260.db2.gz GOFMRLBQJZRONJ-QWHCGFSZSA-N -1 1 376.465 2.048 20 0 GEADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(C)C ZINC000821071502 606579261 /nfs/dbraw/zinc/57/92/61/606579261.db2.gz GOFMRLBQJZRONJ-QWHCGFSZSA-N -1 1 376.465 2.048 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000822609422 606579880 /nfs/dbraw/zinc/57/98/80/606579880.db2.gz NWEAZVCMIKVRBM-UHFFFAOYSA-N -1 1 393.238 2.497 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000822609422 606579881 /nfs/dbraw/zinc/57/98/81/606579881.db2.gz NWEAZVCMIKVRBM-UHFFFAOYSA-N -1 1 393.238 2.497 20 0 GEADMM CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819927938 606590798 /nfs/dbraw/zinc/59/07/98/606590798.db2.gz BYUNJLSVDUFSLG-UHFFFAOYSA-N -1 1 392.485 2.448 20 0 GEADMM CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819927938 606590800 /nfs/dbraw/zinc/59/08/00/606590800.db2.gz BYUNJLSVDUFSLG-UHFFFAOYSA-N -1 1 392.485 2.448 20 0 GEADMM C[C@@H]1CC/C(=C\C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820678739 606618973 /nfs/dbraw/zinc/61/89/73/606618973.db2.gz XUFMLCIGCCLHDX-RVROTUBLSA-N -1 1 383.456 2.127 20 0 GEADMM C[C@H]1CC/C(=C\C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820678738 606619002 /nfs/dbraw/zinc/61/90/02/606619002.db2.gz XUFMLCIGCCLHDX-OWRWYXLESA-N -1 1 383.456 2.127 20 0 GEADMM c1cc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)sc1-c1nn[n-]n1 ZINC000823751325 606620508 /nfs/dbraw/zinc/62/05/08/606620508.db2.gz GEQVGVAAEZXHNG-UHFFFAOYSA-N -1 1 395.448 2.477 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC2CCOCC2)cc1 ZINC000823436324 606647648 /nfs/dbraw/zinc/64/76/48/606647648.db2.gz PZCOQVQMJGQBEU-UHFFFAOYSA-N -1 1 381.392 2.177 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC2CCOCC2)cc1 ZINC000823436324 606647649 /nfs/dbraw/zinc/64/76/49/606647649.db2.gz PZCOQVQMJGQBEU-UHFFFAOYSA-N -1 1 381.392 2.177 20 0 GEADMM CC(C)Cn1ncc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cnc21 ZINC000820112286 606648440 /nfs/dbraw/zinc/64/84/40/606648440.db2.gz QAGMAOHILVCSGV-UHFFFAOYSA-N -1 1 378.396 2.019 20 0 GEADMM CC(C)Cn1ncc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cnc21 ZINC000820112286 606648441 /nfs/dbraw/zinc/64/84/41/606648441.db2.gz QAGMAOHILVCSGV-UHFFFAOYSA-N -1 1 378.396 2.019 20 0 GEADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820054523 606650125 /nfs/dbraw/zinc/65/01/25/606650125.db2.gz AELAQHWQUOHZRW-CQSZACIVSA-N -1 1 390.444 2.244 20 0 GEADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820054523 606650126 /nfs/dbraw/zinc/65/01/26/606650126.db2.gz AELAQHWQUOHZRW-CQSZACIVSA-N -1 1 390.444 2.244 20 0 GEADMM COc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000821769112 606650158 /nfs/dbraw/zinc/65/01/58/606650158.db2.gz DDFAWHBORMJREZ-UHFFFAOYSA-N -1 1 385.355 2.116 20 0 GEADMM COc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC000821769112 606650159 /nfs/dbraw/zinc/65/01/59/606650159.db2.gz DDFAWHBORMJREZ-UHFFFAOYSA-N -1 1 385.355 2.116 20 0 GEADMM CCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000821466094 606652787 /nfs/dbraw/zinc/65/27/87/606652787.db2.gz VFHBVTWOPHBTQV-UHFFFAOYSA-N -1 1 375.392 2.367 20 0 GEADMM CCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000821466094 606652788 /nfs/dbraw/zinc/65/27/88/606652788.db2.gz VFHBVTWOPHBTQV-UHFFFAOYSA-N -1 1 375.392 2.367 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(N2CCCC2)c1 ZINC000820379358 606697170 /nfs/dbraw/zinc/69/71/70/606697170.db2.gz BJPXBYHLEIAAQA-LBPRGKRZSA-N -1 1 381.444 2.083 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(N2CCCC2)c1 ZINC000820379358 606697171 /nfs/dbraw/zinc/69/71/71/606697171.db2.gz BJPXBYHLEIAAQA-LBPRGKRZSA-N -1 1 381.444 2.083 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CCO[C@H](C)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822548087 606753524 /nfs/dbraw/zinc/75/35/24/606753524.db2.gz FEQAMPJXSURFQC-LLVKDONJSA-N -1 1 393.444 2.400 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C[C@H](C)O2 ZINC000822280215 606765283 /nfs/dbraw/zinc/76/52/83/606765283.db2.gz IVLXAURXBGEAGE-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000820187848 606819782 /nfs/dbraw/zinc/81/97/82/606819782.db2.gz VTGBORMKFHRKKE-CQSZACIVSA-N -1 1 392.467 2.131 20 0 GEADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000820187848 606819784 /nfs/dbraw/zinc/81/97/84/606819784.db2.gz VTGBORMKFHRKKE-CQSZACIVSA-N -1 1 392.467 2.131 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCCCC1 ZINC000820220329 606821174 /nfs/dbraw/zinc/82/11/74/606821174.db2.gz QZCBICRUTYXKHS-GJZGRUSLSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCCCC1 ZINC000820220329 606821175 /nfs/dbraw/zinc/82/11/75/606821175.db2.gz QZCBICRUTYXKHS-GJZGRUSLSA-N -1 1 398.515 2.300 20 0 GEADMM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820087450 606823173 /nfs/dbraw/zinc/82/31/73/606823173.db2.gz RXWXCXVVCDOUOY-QGZVFWFLSA-N -1 1 384.415 2.233 20 0 GEADMM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820087450 606823175 /nfs/dbraw/zinc/82/31/75/606823175.db2.gz RXWXCXVVCDOUOY-QGZVFWFLSA-N -1 1 384.415 2.233 20 0 GEADMM CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821613212 606840841 /nfs/dbraw/zinc/84/08/41/606840841.db2.gz CEMSKBZXLAERBV-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CCS[C@@H]1CCCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821457720 606843709 /nfs/dbraw/zinc/84/37/09/606843709.db2.gz ZUYXGPVMOAKIPT-GFCCVEGCSA-N -1 1 385.490 2.302 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2F)C1 ZINC000823607119 606844582 /nfs/dbraw/zinc/84/45/82/606844582.db2.gz QKRZQBXVZQAKEG-LLVKDONJSA-N -1 1 391.403 2.323 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000823601219 606844649 /nfs/dbraw/zinc/84/46/49/606844649.db2.gz WTBFIXAHXOPXNN-LBPRGKRZSA-N -1 1 391.403 2.323 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000822535209 606855906 /nfs/dbraw/zinc/85/59/06/606855906.db2.gz JRDMERZSGBIJFS-KBPBESRZSA-N -1 1 382.424 2.200 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000822535209 606855908 /nfs/dbraw/zinc/85/59/08/606855908.db2.gz JRDMERZSGBIJFS-KBPBESRZSA-N -1 1 382.424 2.200 20 0 GEADMM FC(F)(F)Cn1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000822718148 606880752 /nfs/dbraw/zinc/88/07/52/606880752.db2.gz ACIMRSLCGVJKAH-UHFFFAOYSA-N -1 1 375.318 2.181 20 0 GEADMM FC(F)(F)Cn1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000822718148 606880753 /nfs/dbraw/zinc/88/07/53/606880753.db2.gz ACIMRSLCGVJKAH-UHFFFAOYSA-N -1 1 375.318 2.181 20 0 GEADMM CCc1noc(C)c1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821553423 606897634 /nfs/dbraw/zinc/89/76/34/606897634.db2.gz HKEYXKLDHVVDQG-UHFFFAOYSA-N -1 1 386.412 2.119 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000823379746 607025041 /nfs/dbraw/zinc/02/50/41/607025041.db2.gz GXZBNGVLXRGFRQ-VIFPVBQESA-N -1 1 389.466 2.018 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000823379746 607025042 /nfs/dbraw/zinc/02/50/42/607025042.db2.gz GXZBNGVLXRGFRQ-VIFPVBQESA-N -1 1 389.466 2.018 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000821309770 607032550 /nfs/dbraw/zinc/03/25/50/607032550.db2.gz SNLUXWMUNHSWMQ-UHFFFAOYSA-N -1 1 388.453 2.416 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000821308608 607032918 /nfs/dbraw/zinc/03/29/18/607032918.db2.gz DKAIOFNHXPGEEY-UHFFFAOYSA-N -1 1 392.416 2.247 20 0 GEADMM COc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1Br ZINC000821773004 607105911 /nfs/dbraw/zinc/10/59/11/607105911.db2.gz WRVMIUCTWWUMRS-UHFFFAOYSA-N -1 1 381.215 2.347 20 0 GEADMM COc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1Br ZINC000821773004 607105913 /nfs/dbraw/zinc/10/59/13/607105913.db2.gz WRVMIUCTWWUMRS-UHFFFAOYSA-N -1 1 381.215 2.347 20 0 GEADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821614465 607137851 /nfs/dbraw/zinc/13/78/51/607137851.db2.gz HOQVRTNHNFJCEO-UHFFFAOYSA-N -1 1 396.333 2.163 20 0 GEADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821614465 607137852 /nfs/dbraw/zinc/13/78/52/607137852.db2.gz HOQVRTNHNFJCEO-UHFFFAOYSA-N -1 1 396.333 2.163 20 0 GEADMM O=C(NCCC1=CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826435985 607794960 /nfs/dbraw/zinc/79/49/60/607794960.db2.gz DHVUZCRLBKQAPD-UHFFFAOYSA-N -1 1 398.471 2.064 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000826357663 607800884 /nfs/dbraw/zinc/80/08/84/607800884.db2.gz NIQJTIYWLIYALV-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000826357663 607800885 /nfs/dbraw/zinc/80/08/85/607800885.db2.gz NIQJTIYWLIYALV-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM COc1cccnc1N(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826221217 607803967 /nfs/dbraw/zinc/80/39/67/607803967.db2.gz UXWGKDKMMGNNHN-UHFFFAOYSA-N -1 1 379.380 2.239 20 0 GEADMM COc1cccnc1N(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826221217 607803968 /nfs/dbraw/zinc/80/39/68/607803968.db2.gz UXWGKDKMMGNNHN-UHFFFAOYSA-N -1 1 379.380 2.239 20 0 GEADMM Cc1nc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)sc1C ZINC000826327221 607820530 /nfs/dbraw/zinc/82/05/30/607820530.db2.gz YCUOIGQILOLOAR-UHFFFAOYSA-N -1 1 376.877 2.315 20 0 GEADMM Cc1nc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)sc1C ZINC000826327221 607820531 /nfs/dbraw/zinc/82/05/31/607820531.db2.gz YCUOIGQILOLOAR-UHFFFAOYSA-N -1 1 376.877 2.315 20 0 GEADMM CCOCc1ccccc1CNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825604356 607864428 /nfs/dbraw/zinc/86/44/28/607864428.db2.gz HYUDWMAINVJXDO-UHFFFAOYSA-N -1 1 385.399 2.238 20 0 GEADMM CCOCc1ccccc1CNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825604356 607864429 /nfs/dbraw/zinc/86/44/29/607864429.db2.gz HYUDWMAINVJXDO-UHFFFAOYSA-N -1 1 385.399 2.238 20 0 GEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(C)c1C ZINC000826211837 607867574 /nfs/dbraw/zinc/86/75/74/607867574.db2.gz WTPKESABXXYCQH-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(C)c1C ZINC000826211837 607867575 /nfs/dbraw/zinc/86/75/75/607867575.db2.gz WTPKESABXXYCQH-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000826493449 607867940 /nfs/dbraw/zinc/86/79/40/607867940.db2.gz LDKUDZYVRJDTLC-UHFFFAOYSA-N -1 1 386.311 2.375 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000826493449 607867941 /nfs/dbraw/zinc/86/79/41/607867941.db2.gz LDKUDZYVRJDTLC-UHFFFAOYSA-N -1 1 386.311 2.375 20 0 GEADMM Cn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1[C@H]1COc2ccccc2O1 ZINC000826356513 607895816 /nfs/dbraw/zinc/89/58/16/607895816.db2.gz UOWGCCIWJZDACX-CYBMUJFWSA-N -1 1 394.420 2.054 20 0 GEADMM Cn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1[C@H]1COc2ccccc2O1 ZINC000826356513 607895817 /nfs/dbraw/zinc/89/58/17/607895817.db2.gz UOWGCCIWJZDACX-CYBMUJFWSA-N -1 1 394.420 2.054 20 0 GEADMM CC(C)(C)c1nc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cs1 ZINC000824141700 607896473 /nfs/dbraw/zinc/89/64/73/607896473.db2.gz MHXGUEQSHRUVPC-UHFFFAOYSA-N -1 1 384.513 2.338 20 0 GEADMM CC(C)(C)c1nc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cs1 ZINC000824141700 607896474 /nfs/dbraw/zinc/89/64/74/607896474.db2.gz MHXGUEQSHRUVPC-UHFFFAOYSA-N -1 1 384.513 2.338 20 0 GEADMM O=C(Nc1ccc(F)cc1)NC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826453822 607896791 /nfs/dbraw/zinc/89/67/91/607896791.db2.gz AVFOWQFQGXPXDY-UHFFFAOYSA-N -1 1 382.403 2.191 20 0 GEADMM O=C(Nc1ccc(F)cc1)NC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826453822 607896792 /nfs/dbraw/zinc/89/67/92/607896792.db2.gz AVFOWQFQGXPXDY-UHFFFAOYSA-N -1 1 382.403 2.191 20 0 GEADMM O=C(NC[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)Nc1cccc(F)c1 ZINC000826435672 607899513 /nfs/dbraw/zinc/89/95/13/607899513.db2.gz USBNZTXYTUFBAP-ZDUSSCGKSA-N -1 1 396.430 2.439 20 0 GEADMM O=C(NC[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)Nc1cccc(F)c1 ZINC000826435672 607899514 /nfs/dbraw/zinc/89/95/14/607899514.db2.gz USBNZTXYTUFBAP-ZDUSSCGKSA-N -1 1 396.430 2.439 20 0 GEADMM O=C1C[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000826479167 607969029 /nfs/dbraw/zinc/96/90/29/607969029.db2.gz RYZVKUOICCWXDG-LLVKDONJSA-N -1 1 389.872 2.437 20 0 GEADMM O=C1C[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC000826479167 607969030 /nfs/dbraw/zinc/96/90/30/607969030.db2.gz RYZVKUOICCWXDG-LLVKDONJSA-N -1 1 389.872 2.437 20 0 GEADMM O=C1C[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1Cc1ccccc1 ZINC000826479474 607969278 /nfs/dbraw/zinc/96/92/78/607969278.db2.gz ZLXGZYLPJUVCHH-CYBMUJFWSA-N -1 1 383.843 2.376 20 0 GEADMM O=C1C[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1Cc1ccccc1 ZINC000826479474 607969279 /nfs/dbraw/zinc/96/92/79/607969279.db2.gz ZLXGZYLPJUVCHH-CYBMUJFWSA-N -1 1 383.843 2.376 20 0 GEADMM C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824391458 607971932 /nfs/dbraw/zinc/97/19/32/607971932.db2.gz JDBVSDZSRSQCKK-VIFPVBQESA-N -1 1 395.441 2.007 20 0 GEADMM C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824391458 607971933 /nfs/dbraw/zinc/97/19/33/607971933.db2.gz JDBVSDZSRSQCKK-VIFPVBQESA-N -1 1 395.441 2.007 20 0 GEADMM CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825081150 607994101 /nfs/dbraw/zinc/99/41/01/607994101.db2.gz GWGDGJSDSIFCNI-JQWIXIFHSA-N -1 1 390.513 2.388 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825060954 607997909 /nfs/dbraw/zinc/99/79/09/607997909.db2.gz VHXBQQWHQPRXQU-SJKOYZFVSA-N -1 1 394.435 2.356 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(OCC(F)F)c2)n1 ZINC000824147679 608005284 /nfs/dbraw/zinc/00/52/84/608005284.db2.gz GQSKNRIWCMGLIN-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(OCC(F)F)c2)n1 ZINC000824147679 608005285 /nfs/dbraw/zinc/00/52/85/608005285.db2.gz GQSKNRIWCMGLIN-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000826425095 608014582 /nfs/dbraw/zinc/01/45/82/608014582.db2.gz PSBBNDWVJPCILD-GFCCVEGCSA-N -1 1 394.420 2.096 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000826425095 608014583 /nfs/dbraw/zinc/01/45/83/608014583.db2.gz PSBBNDWVJPCILD-GFCCVEGCSA-N -1 1 394.420 2.096 20 0 GEADMM O=S(=O)(Oc1ccc2nccnc2c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493271 608026081 /nfs/dbraw/zinc/02/60/81/608026081.db2.gz CBBOPWSLKWKZFO-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM O=S(=O)(Oc1ccc2nccnc2c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826493271 608026082 /nfs/dbraw/zinc/02/60/82/608026082.db2.gz CBBOPWSLKWKZFO-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ccsc2C1 ZINC000826494816 608026681 /nfs/dbraw/zinc/02/66/81/608026681.db2.gz QHLRDCNFHBJKHL-UHFFFAOYSA-N -1 1 381.870 2.329 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826494774 608026852 /nfs/dbraw/zinc/02/68/52/608026852.db2.gz OOMPXTBJIOUEQP-MRXNPFEDSA-N -1 1 398.492 2.438 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000826494774 608026853 /nfs/dbraw/zinc/02/68/53/608026853.db2.gz OOMPXTBJIOUEQP-MRXNPFEDSA-N -1 1 398.492 2.438 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2c[nH]c3cccc(F)c23)c(-c2nn[n-]n2)c1C ZINC000826342359 608060548 /nfs/dbraw/zinc/06/05/48/608060548.db2.gz HMEHQXJGVWKGOJ-UHFFFAOYSA-N -1 1 398.354 2.492 20 0 GEADMM O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826470286 608086418 /nfs/dbraw/zinc/08/64/18/608086418.db2.gz LDEGCNIWLNFRGE-INIZCTEOSA-N -1 1 385.811 2.439 20 0 GEADMM Ic1cccc(OCCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826379172 608148858 /nfs/dbraw/zinc/14/88/58/608148858.db2.gz KXCWCOUBHAYCTP-UHFFFAOYSA-N -1 1 396.192 2.137 20 0 GEADMM Ic1cccc(OCCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826379172 608148860 /nfs/dbraw/zinc/14/88/60/608148860.db2.gz KXCWCOUBHAYCTP-UHFFFAOYSA-N -1 1 396.192 2.137 20 0 GEADMM Cc1ccncc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826315222 608157729 /nfs/dbraw/zinc/15/77/29/608157729.db2.gz CJYKWYJAMBRFSZ-JTQLQIEISA-N -1 1 378.845 2.263 20 0 GEADMM CCCC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)CCC ZINC000825219559 608161539 /nfs/dbraw/zinc/16/15/39/608161539.db2.gz KLAOELFSNCXVFM-AWEZNQCLSA-N -1 1 384.488 2.220 20 0 GEADMM CCCC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)CCC ZINC000825219559 608161541 /nfs/dbraw/zinc/16/15/41/608161541.db2.gz KLAOELFSNCXVFM-AWEZNQCLSA-N -1 1 384.488 2.220 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000825285345 608178623 /nfs/dbraw/zinc/17/86/23/608178623.db2.gz RSOHOOFODMXUFA-ZJUUUORDSA-N -1 1 383.909 2.498 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000825285345 608178625 /nfs/dbraw/zinc/17/86/25/608178625.db2.gz RSOHOOFODMXUFA-ZJUUUORDSA-N -1 1 383.909 2.498 20 0 GEADMM CN1C[C@@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1=O ZINC000826017291 608188395 /nfs/dbraw/zinc/18/83/95/608188395.db2.gz JXBBTBMYIKMJPN-ZDUSSCGKSA-N -1 1 397.366 2.186 20 0 GEADMM CN1C[C@@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1=O ZINC000826017291 608188396 /nfs/dbraw/zinc/18/83/96/608188396.db2.gz JXBBTBMYIKMJPN-ZDUSSCGKSA-N -1 1 397.366 2.186 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1ccco1 ZINC000826328264 608190382 /nfs/dbraw/zinc/19/03/82/608190382.db2.gz LFDCFGQJXJEUKQ-LBPRGKRZSA-N -1 1 381.396 2.356 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1ccco1 ZINC000826328264 608190384 /nfs/dbraw/zinc/19/03/84/608190384.db2.gz LFDCFGQJXJEUKQ-LBPRGKRZSA-N -1 1 381.396 2.356 20 0 GEADMM Cc1cnc([C@@H](C)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826317787 608205249 /nfs/dbraw/zinc/20/52/49/608205249.db2.gz NLLQUMMXAUDURH-GFCCVEGCSA-N -1 1 396.411 2.294 20 0 GEADMM CC(C)[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824184012 608210579 /nfs/dbraw/zinc/21/05/79/608210579.db2.gz BLZGJPUGEQLENQ-HNNXBMFYSA-N -1 1 382.472 2.003 20 0 GEADMM CC(C)[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824184012 608210582 /nfs/dbraw/zinc/21/05/82/608210582.db2.gz BLZGJPUGEQLENQ-HNNXBMFYSA-N -1 1 382.472 2.003 20 0 GEADMM Cc1c2cccc(C)c2oc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826234121 608212052 /nfs/dbraw/zinc/21/20/52/608212052.db2.gz IYYSGMCJCQBIJL-UHFFFAOYSA-N -1 1 394.439 2.240 20 0 GEADMM Cc1c2cccc(C)c2oc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826234121 608212055 /nfs/dbraw/zinc/21/20/55/608212055.db2.gz IYYSGMCJCQBIJL-UHFFFAOYSA-N -1 1 394.439 2.240 20 0 GEADMM C[C@@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824874062 608212833 /nfs/dbraw/zinc/21/28/33/608212833.db2.gz BDDOPVWKYFFADO-CHWSQXEVSA-N -1 1 388.520 2.416 20 0 GEADMM C[C@@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824874062 608212836 /nfs/dbraw/zinc/21/28/36/608212836.db2.gz BDDOPVWKYFFADO-CHWSQXEVSA-N -1 1 388.520 2.416 20 0 GEADMM CCc1ccc(C2=CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000825704012 608246865 /nfs/dbraw/zinc/24/68/65/608246865.db2.gz BKJSMTNZVPJGJC-UHFFFAOYSA-N -1 1 396.476 2.302 20 0 GEADMM CCc1ccc(C2=CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000825704012 608246866 /nfs/dbraw/zinc/24/68/66/608246866.db2.gz BKJSMTNZVPJGJC-UHFFFAOYSA-N -1 1 396.476 2.302 20 0 GEADMM CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824215306 608248599 /nfs/dbraw/zinc/24/85/99/608248599.db2.gz KKMUUOSNGTUARV-PWSUYJOCSA-N -1 1 385.877 2.002 20 0 GEADMM CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824215306 608248601 /nfs/dbraw/zinc/24/86/01/608248601.db2.gz KKMUUOSNGTUARV-PWSUYJOCSA-N -1 1 385.877 2.002 20 0 GEADMM NC(=O)c1cc(Oc2cccc(Oc3cccc(-c4nnn[n-]4)n3)c2)ccn1 ZINC000826392643 608305892 /nfs/dbraw/zinc/30/58/92/608305892.db2.gz GZZOQCAEDICRFM-UHFFFAOYSA-N -1 1 375.348 2.340 20 0 GEADMM NC(=O)c1cc(Oc2cccc(Oc3cccc(-c4nn[n-]n4)n3)c2)ccn1 ZINC000826392643 608305894 /nfs/dbraw/zinc/30/58/94/608305894.db2.gz GZZOQCAEDICRFM-UHFFFAOYSA-N -1 1 375.348 2.340 20 0 GEADMM CC1(C)c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824817326 608307951 /nfs/dbraw/zinc/30/79/51/608307951.db2.gz NYDZLCUEAOZWHM-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM COCCN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)CC(F)(F)F ZINC000826158263 608312062 /nfs/dbraw/zinc/31/20/62/608312062.db2.gz HVXIQXBVYPMTKL-UHFFFAOYSA-N -1 1 395.389 2.372 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824640561 608343042 /nfs/dbraw/zinc/34/30/42/608343042.db2.gz LCDVDZQBULRPBL-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM COc1cccc(Nc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)c1 ZINC000826217518 608390089 /nfs/dbraw/zinc/39/00/89/608390089.db2.gz PYSYHXHXHDIZHW-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM COc1cccc(Nc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)c1 ZINC000826217518 608390091 /nfs/dbraw/zinc/39/00/91/608390091.db2.gz PYSYHXHXHDIZHW-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM COc1ccccc1Nc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826220291 608390110 /nfs/dbraw/zinc/39/01/10/608390110.db2.gz IRHIYQTVYRDGHX-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM COc1ccccc1Nc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826220291 608390112 /nfs/dbraw/zinc/39/01/12/608390112.db2.gz IRHIYQTVYRDGHX-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM CC[C@@H](c1ccc(F)cc1F)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825159618 608424485 /nfs/dbraw/zinc/42/44/85/608424485.db2.gz QUZBZFRXJVYTFI-INIZCTEOSA-N -1 1 386.410 2.208 20 0 GEADMM CC(C)Oc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824328878 608548541 /nfs/dbraw/zinc/54/85/41/608548541.db2.gz CYMABRFNIAIIMP-UHFFFAOYSA-N -1 1 399.459 2.056 20 0 GEADMM CC(C)Oc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824328878 608548543 /nfs/dbraw/zinc/54/85/43/608548543.db2.gz CYMABRFNIAIIMP-UHFFFAOYSA-N -1 1 399.459 2.056 20 0 GEADMM CC[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825081846 608556118 /nfs/dbraw/zinc/55/61/18/608556118.db2.gz NKVFYKGMRPDXIF-CQSZACIVSA-N -1 1 396.499 2.455 20 0 GEADMM CC[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825081846 608556120 /nfs/dbraw/zinc/55/61/20/608556120.db2.gz NKVFYKGMRPDXIF-CQSZACIVSA-N -1 1 396.499 2.455 20 0 GEADMM CCc1ccc(C(C)(C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825705234 608558963 /nfs/dbraw/zinc/55/89/63/608558963.db2.gz ZOUBMOWKNIPSGK-UHFFFAOYSA-N -1 1 396.499 2.103 20 0 GEADMM CCc1ccc(C(C)(C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825705234 608558965 /nfs/dbraw/zinc/55/89/65/608558965.db2.gz ZOUBMOWKNIPSGK-UHFFFAOYSA-N -1 1 396.499 2.103 20 0 GEADMM O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473048 608676411 /nfs/dbraw/zinc/67/64/11/608676411.db2.gz ILAISRCIHVVTGH-UHFFFAOYSA-N -1 1 390.806 2.210 20 0 GEADMM O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473048 608676412 /nfs/dbraw/zinc/67/64/12/608676412.db2.gz ILAISRCIHVVTGH-UHFFFAOYSA-N -1 1 390.806 2.210 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826472238 608820732 /nfs/dbraw/zinc/82/07/32/608820732.db2.gz DDZYHJXAGVJAIU-JOYOIKCWSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826472238 608820735 /nfs/dbraw/zinc/82/07/35/608820735.db2.gz DDZYHJXAGVJAIU-JOYOIKCWSA-N -1 1 377.376 2.155 20 0 GEADMM COc1ccccc1COC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826220493 608828116 /nfs/dbraw/zinc/82/81/16/608828116.db2.gz PNUREJASRLGCJH-UHFFFAOYSA-N -1 1 394.435 2.092 20 0 GEADMM COc1ccccc1COC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826220493 608828117 /nfs/dbraw/zinc/82/81/17/608828117.db2.gz PNUREJASRLGCJH-UHFFFAOYSA-N -1 1 394.435 2.092 20 0 GEADMM Brc1ccc(-c2nccc(Cn3ccnc3-c3nnn[n-]3)n2)cc1 ZINC000823827212 608893507 /nfs/dbraw/zinc/89/35/07/608893507.db2.gz XMYYSHPIKUAVKE-UHFFFAOYSA-N -1 1 383.213 2.331 20 0 GEADMM Brc1ccc(-c2nccc(Cn3ccnc3-c3nn[n-]n3)n2)cc1 ZINC000823827212 608893510 /nfs/dbraw/zinc/89/35/10/608893510.db2.gz XMYYSHPIKUAVKE-UHFFFAOYSA-N -1 1 383.213 2.331 20 0 GEADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260490 609157091 /nfs/dbraw/zinc/15/70/91/609157091.db2.gz QQPQOEXTMRIHQY-UHFFFAOYSA-N -1 1 379.355 2.458 20 0 GEADMM COC(=O)CN(CCc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826138327 609173059 /nfs/dbraw/zinc/17/30/59/609173059.db2.gz PVGZLUHKSOYXDK-UHFFFAOYSA-N -1 1 378.845 2.199 20 0 GEADMM COC(=O)CN(CCc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826138327 609173061 /nfs/dbraw/zinc/17/30/61/609173061.db2.gz PVGZLUHKSOYXDK-UHFFFAOYSA-N -1 1 378.845 2.199 20 0 GEADMM Cc1nc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)[n-]c(=O)c1C ZINC000826327541 609180828 /nfs/dbraw/zinc/18/08/28/609180828.db2.gz LFXQHHUHCFTDSU-UHFFFAOYSA-N -1 1 391.844 2.363 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1C1CCOCC1 ZINC000826495044 609183032 /nfs/dbraw/zinc/18/30/32/609183032.db2.gz AQHXMBIHKKZOIO-CYBMUJFWSA-N -1 1 397.888 2.100 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1C1CCOCC1 ZINC000826495044 609183033 /nfs/dbraw/zinc/18/30/33/609183033.db2.gz AQHXMBIHKKZOIO-CYBMUJFWSA-N -1 1 397.888 2.100 20 0 GEADMM CC(C)CN(C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824249711 609278112 /nfs/dbraw/zinc/27/81/12/609278112.db2.gz SUAQHLMIXFQKGN-UHFFFAOYSA-N -1 1 398.446 2.250 20 0 GEADMM CNC(=O)c1cccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826073355 609280779 /nfs/dbraw/zinc/28/07/79/609280779.db2.gz PERNSPKDWLYKGF-UHFFFAOYSA-N -1 1 392.398 2.163 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2c(c1)CCO2 ZINC000826458504 609291772 /nfs/dbraw/zinc/29/17/72/609291772.db2.gz SEMCVAJJQPLNOB-UHFFFAOYSA-N -1 1 391.366 2.379 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cc(C2CC2)on1 ZINC000826458429 609291889 /nfs/dbraw/zinc/29/18/89/609291889.db2.gz PKKQLJZSDBMDRK-UHFFFAOYSA-N -1 1 380.343 2.309 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc2O1 ZINC000826458469 609291920 /nfs/dbraw/zinc/29/19/20/609291920.db2.gz REINZBFZTRCIRO-HNNXBMFYSA-N -1 1 391.366 2.134 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1Cc2ccccc21 ZINC000826458358 609291991 /nfs/dbraw/zinc/29/19/91/609291991.db2.gz MRTIBLXBDVTHFQ-ZDUSSCGKSA-N -1 1 375.367 2.470 20 0 GEADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825268168 609301986 /nfs/dbraw/zinc/30/19/86/609301986.db2.gz RFWAZPDOIKTTGY-OLZOCXBDSA-N -1 1 389.508 2.105 20 0 GEADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825268168 609301988 /nfs/dbraw/zinc/30/19/88/609301988.db2.gz RFWAZPDOIKTTGY-OLZOCXBDSA-N -1 1 389.508 2.105 20 0 GEADMM CC(C)(C)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000824136227 609317821 /nfs/dbraw/zinc/31/78/21/609317821.db2.gz NBQJTTBSCLQZEI-UHFFFAOYSA-N -1 1 398.492 2.306 20 0 GEADMM CC(C)(C)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000824136227 609317823 /nfs/dbraw/zinc/31/78/23/609317823.db2.gz NBQJTTBSCLQZEI-UHFFFAOYSA-N -1 1 398.492 2.306 20 0 GEADMM C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1F ZINC000824949540 609363160 /nfs/dbraw/zinc/36/31/60/609363160.db2.gz YBTLQYSUUXATQX-PWSUYJOCSA-N -1 1 388.382 2.403 20 0 GEADMM CN(Cc1cccnc1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825985858 609363753 /nfs/dbraw/zinc/36/37/53/609363753.db2.gz CXZUZBXVWWAEPS-UHFFFAOYSA-N -1 1 393.386 2.250 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000826341107 609404656 /nfs/dbraw/zinc/40/46/56/609404656.db2.gz WVXCVEAARAMTMB-KGLIPLIRSA-N -1 1 384.440 2.182 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000826341107 609404658 /nfs/dbraw/zinc/40/46/58/609404658.db2.gz WVXCVEAARAMTMB-KGLIPLIRSA-N -1 1 384.440 2.182 20 0 GEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824507158 609456057 /nfs/dbraw/zinc/45/60/57/609456057.db2.gz VBODQYMVAPTCRS-GHMZBOCLSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824507158 609456058 /nfs/dbraw/zinc/45/60/58/609456058.db2.gz VBODQYMVAPTCRS-GHMZBOCLSA-N -1 1 392.485 2.304 20 0 GEADMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826295924 609525851 /nfs/dbraw/zinc/52/58/51/609525851.db2.gz DDEQODUVUMZWIV-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826231687 609600323 /nfs/dbraw/zinc/60/03/23/609600323.db2.gz VVOGGLJNJINZAT-JQWIXIFHSA-N -1 1 388.497 2.406 20 0 GEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826334176 609609470 /nfs/dbraw/zinc/60/94/70/609609470.db2.gz KTLWMBGMYLMTRP-UHFFFAOYSA-N -1 1 394.432 2.243 20 0 GEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826334176 609609471 /nfs/dbraw/zinc/60/94/71/609609471.db2.gz KTLWMBGMYLMTRP-UHFFFAOYSA-N -1 1 394.432 2.243 20 0 GEADMM CC1([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CCC(F)(F)CC1 ZINC000824838676 609609892 /nfs/dbraw/zinc/60/98/92/609609892.db2.gz SWCJMRMZYZFBEN-UHFFFAOYSA-N -1 1 375.376 2.252 20 0 GEADMM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000446773509 649988363 /nfs/dbraw/zinc/98/83/63/649988363.db2.gz AXEBZJFIKGRSIF-UHFFFAOYSA-N -1 1 375.809 2.331 20 0 GEADMM CCn1cccc(CNC(=O)c2cc(I)ccc2[O-])c1=O ZINC000447613698 650007565 /nfs/dbraw/zinc/00/75/65/650007565.db2.gz DUOKRLIUDSCKGK-UHFFFAOYSA-N -1 1 398.200 2.108 20 0 GEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000448127461 650013811 /nfs/dbraw/zinc/01/38/11/650013811.db2.gz HSWNMEZKPOJPNU-UHFFFAOYSA-N -1 1 379.459 2.410 20 0 GEADMM COC(=O)CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000450981183 650077823 /nfs/dbraw/zinc/07/78/23/650077823.db2.gz HXHLLKDPZFSVLB-UHFFFAOYSA-N -1 1 376.681 2.396 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)Cc2ccco2)c(F)c1 ZINC000450981870 650077850 /nfs/dbraw/zinc/07/78/50/650077850.db2.gz JCTAPTFFZQGAAF-UHFFFAOYSA-N -1 1 390.458 2.391 20 0 GEADMM O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)C(F)F)nc2)s1 ZINC000451014062 650080202 /nfs/dbraw/zinc/08/02/02/650080202.db2.gz KYBGSALYOOQDGT-UHFFFAOYSA-N -1 1 387.336 2.324 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCOCC)c(F)c1 ZINC000451085985 650084635 /nfs/dbraw/zinc/08/46/35/650084635.db2.gz MAOJQWMELINLHI-UHFFFAOYSA-N -1 1 396.506 2.072 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)Cc2ccoc2)c(F)c1 ZINC000451100441 650086346 /nfs/dbraw/zinc/08/63/46/650086346.db2.gz UCCOGAOCPMQIQY-UHFFFAOYSA-N -1 1 390.458 2.391 20 0 GEADMM CC1(S(=O)(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000451158632 650091452 /nfs/dbraw/zinc/09/14/52/650091452.db2.gz LUVAFPYGAHCCOZ-UHFFFAOYSA-N -1 1 380.491 2.459 20 0 GEADMM COc1ccc(C[C@H](CO)C[N-]S(=O)(=O)c2sccc2Cl)cc1O ZINC000451242127 650097680 /nfs/dbraw/zinc/09/76/80/650097680.db2.gz MOBSJGNKTPRYPJ-NSHDSACASA-N -1 1 391.898 2.245 20 0 GEADMM CCOC[C@@H](C)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000451347560 650106069 /nfs/dbraw/zinc/10/60/69/650106069.db2.gz GHYIUSWBLARBFI-QMTHXVAHSA-N -1 1 381.853 2.285 20 0 GEADMM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1=O ZINC000451434339 650113532 /nfs/dbraw/zinc/11/35/32/650113532.db2.gz PXJDJHSAYYTHLB-LLVKDONJSA-N -1 1 388.902 2.092 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)c2ccon2)c(F)c1 ZINC000451371306 650108449 /nfs/dbraw/zinc/10/84/49/650108449.db2.gz PKFYMLZNKQDTIM-SNVBAGLBSA-N -1 1 391.446 2.005 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1=CCOCC1 ZINC000451682095 650132838 /nfs/dbraw/zinc/13/28/38/650132838.db2.gz NZTVNDLIBVEQNL-UHFFFAOYSA-N -1 1 380.249 2.405 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CC)CC2)c(OC)c1 ZINC000451686242 650133221 /nfs/dbraw/zinc/13/32/21/650133221.db2.gz DYLZMGRIQWDONV-UHFFFAOYSA-N -1 1 376.500 2.068 20 0 GEADMM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000451692380 650133758 /nfs/dbraw/zinc/13/37/58/650133758.db2.gz FFWXZWGSZNWRTF-ZJUUUORDSA-N -1 1 380.260 2.442 20 0 GEADMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000451654141 650129099 /nfs/dbraw/zinc/12/90/99/650129099.db2.gz OECQCLFIGONFKW-JTQLQIEISA-N -1 1 392.724 2.230 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)sc1C ZINC000452006202 650164785 /nfs/dbraw/zinc/16/47/85/650164785.db2.gz DPRBBIRVVGLWST-HZSPNIEDSA-N -1 1 384.527 2.432 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CO ZINC000452027658 650168229 /nfs/dbraw/zinc/16/82/29/650168229.db2.gz FYKLWACRZJORKI-PRHODGIISA-N -1 1 382.265 2.219 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC000452044344 650168591 /nfs/dbraw/zinc/16/85/91/650168591.db2.gz GYHLATUSPHXMHT-JSGCOSHPSA-N -1 1 390.502 2.302 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)NC ZINC000452091599 650172463 /nfs/dbraw/zinc/17/24/63/650172463.db2.gz SZHIGPFUOJCGRJ-VIFPVBQESA-N -1 1 387.658 2.045 20 0 GEADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(F)F ZINC000452454240 650186455 /nfs/dbraw/zinc/18/64/55/650186455.db2.gz DOASISFTYMOEOR-SSDOTTSWSA-N -1 1 375.224 2.432 20 0 GEADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(F)F ZINC000452454241 650186506 /nfs/dbraw/zinc/18/65/06/650186506.db2.gz DOASISFTYMOEOR-ZETCQYMHSA-N -1 1 375.224 2.432 20 0 GEADMM CC[C@@H](NC(=O)c1cc(I)ccc1[O-])[C@@H](O)C(F)F ZINC000452948554 650201300 /nfs/dbraw/zinc/20/13/00/650201300.db2.gz WROSWLDOCPCHAS-PSASIEDQSA-N -1 1 385.148 2.131 20 0 GEADMM COC(=O)[C@@H]1CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000456121639 650331382 /nfs/dbraw/zinc/33/13/82/650331382.db2.gz MNQPDDUHMMSQAJ-NSHDSACASA-N -1 1 379.210 2.481 20 0 GEADMM COc1ccc(Br)cc1C[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC000456728663 650360136 /nfs/dbraw/zinc/36/01/36/650360136.db2.gz RKCTYTONVDPEPG-NSHDSACASA-N -1 1 395.253 2.139 20 0 GEADMM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000504042776 650425956 /nfs/dbraw/zinc/42/59/56/650425956.db2.gz JNUUYZZIIYDHAP-UHFFFAOYSA-N -1 1 383.145 2.356 20 0 GEADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1N ZINC000504053858 650426458 /nfs/dbraw/zinc/42/64/58/650426458.db2.gz OIGVBDGTNJRUFT-UHFFFAOYSA-N -1 1 383.495 2.015 20 0 GEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)n1 ZINC000460562600 650443608 /nfs/dbraw/zinc/44/36/08/650443608.db2.gz SJDGOTRUPXLLPS-UHFFFAOYSA-N -1 1 382.243 2.479 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccc(=O)[nH]c1 ZINC000461355534 650452507 /nfs/dbraw/zinc/45/25/07/650452507.db2.gz UVOGOACQQHGVJI-UHFFFAOYSA-N -1 1 376.221 2.011 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 ZINC000461454778 650454421 /nfs/dbraw/zinc/45/44/21/650454421.db2.gz VVLHILHUIOHQHE-SNVBAGLBSA-N -1 1 384.841 2.360 20 0 GEADMM CN(C)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000507636449 650465708 /nfs/dbraw/zinc/46/57/08/650465708.db2.gz OHLYEHATYFYPBX-UHFFFAOYSA-N -1 1 376.406 2.016 20 0 GEADMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1Cl ZINC000507984944 650471769 /nfs/dbraw/zinc/47/17/69/650471769.db2.gz NGQSCTBJFSVTDC-UHFFFAOYSA-N -1 1 386.813 2.096 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(C2CC2)C1 ZINC000508873348 650484105 /nfs/dbraw/zinc/48/41/05/650484105.db2.gz KSNODNHGNVCLSX-JTQLQIEISA-N -1 1 393.292 2.295 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000508402036 650480040 /nfs/dbraw/zinc/48/00/40/650480040.db2.gz KPJMHLOHRQXTQV-UHFFFAOYSA-N -1 1 380.231 2.409 20 0 GEADMM CCOC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508837941 650483921 /nfs/dbraw/zinc/48/39/21/650483921.db2.gz GPNQOJKUVRYTAS-UHFFFAOYSA-N -1 1 398.264 2.402 20 0 GEADMM O=S(=O)([N-]Cc1ccccc1Cn1cncn1)c1ccc(Br)o1 ZINC000508798731 650483164 /nfs/dbraw/zinc/48/31/64/650483164.db2.gz WRZSJYNDVNDAHX-UHFFFAOYSA-N -1 1 397.254 2.160 20 0 GEADMM CCCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)OC(C)(C)C ZINC000462684459 650488404 /nfs/dbraw/zinc/48/84/04/650488404.db2.gz GZCJKHDUCZHKJM-NSHDSACASA-N -1 1 375.443 2.245 20 0 GEADMM CC(C)C1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000462705624 650489456 /nfs/dbraw/zinc/48/94/56/650489456.db2.gz PAEMZTIIYVNHJO-UHFFFAOYSA-N -1 1 378.491 2.254 20 0 GEADMM CO[C@H](C)c1nc(=NC[C@H](O)COc2ccccc2Br)s[n-]1 ZINC000509563751 650496107 /nfs/dbraw/zinc/49/61/07/650496107.db2.gz 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CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C ZINC000475792840 650538783 /nfs/dbraw/zinc/53/87/83/650538783.db2.gz RUDNHEMQNHVAHG-UHFFFAOYSA-N -1 1 392.861 2.496 20 0 GEADMM CC[C@@H]1CO[C@H](C)CN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000476132637 650544732 /nfs/dbraw/zinc/54/47/32/650544732.db2.gz FBXYQAVCGUUILD-GHMZBOCLSA-N -1 1 395.308 2.298 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cn(C)cn1)c1ccc(Cl)c(Cl)c1 ZINC000476151015 650545120 /nfs/dbraw/zinc/54/51/20/650545120.db2.gz LOORGGLXCWMOOU-CQSZACIVSA-N -1 1 392.264 2.094 20 0 GEADMM COc1ccc(Br)cc1CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000512035062 650544154 /nfs/dbraw/zinc/54/41/54/650544154.db2.gz KTFGZHFIDXEYSH-UHFFFAOYSA-N -1 1 391.225 2.375 20 0 GEADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000476285594 650547685 /nfs/dbraw/zinc/54/76/85/650547685.db2.gz JZIDODFCVXLXBL-UHFFFAOYSA-N -1 1 399.266 2.422 20 0 GEADMM CCC1(C)CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000476926470 650563459 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CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1sccc1Br ZINC000067435222 642967202 /nfs/dbraw/zinc/96/72/02/642967202.db2.gz FLQVVSNBEYIOJK-UHFFFAOYSA-N -1 1 385.305 2.314 20 0 GEADMM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000536739432 650806761 /nfs/dbraw/zinc/80/67/61/650806761.db2.gz PYQZILNCSNBOOE-JTQLQIEISA-N -1 1 382.463 2.168 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000094076703 643086221 /nfs/dbraw/zinc/08/62/21/643086221.db2.gz FRAXPDHFHGVGNM-HNNXBMFYSA-N -1 1 375.222 2.468 20 0 GEADMM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094075549 643086335 /nfs/dbraw/zinc/08/63/35/643086335.db2.gz XOEKJASDKOQCGH-LBPRGKRZSA-N -1 1 385.283 2.196 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)c1Cl ZINC000101579455 643110881 /nfs/dbraw/zinc/11/08/81/643110881.db2.gz XVUAGQLQQUZAME-UHFFFAOYSA-N -1 1 378.841 2.144 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(S(N)(=O)=O)c1 ZINC000104744618 643191098 /nfs/dbraw/zinc/19/10/98/643191098.db2.gz IFFBQWZFUJJJKB-AWEZNQCLSA-N -1 1 390.433 2.042 20 0 GEADMM CCn1cc([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)ccc1=O ZINC000105387618 643204764 /nfs/dbraw/zinc/20/47/64/643204764.db2.gz BXPQGQBCZNDSGM-UHFFFAOYSA-N -1 1 387.820 2.420 20 0 GEADMM O=C(NCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccs1 ZINC000105619837 643212570 /nfs/dbraw/zinc/21/25/70/643212570.db2.gz KGJJZGUCSQDXPL-UHFFFAOYSA-N -1 1 378.397 2.264 20 0 GEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c1 ZINC000538015191 650827423 /nfs/dbraw/zinc/82/74/23/650827423.db2.gz KNRAIGRQVKALSC-UHFFFAOYSA-N -1 1 386.426 2.201 20 0 GEADMM O=[S@@](CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)Cc1ccccc1 ZINC000109839130 643301832 /nfs/dbraw/zinc/30/18/32/643301832.db2.gz ZLWOTXNKONSZCZ-HSZRJFAPSA-N -1 1 377.409 2.331 20 0 GEADMM Cc1noc([C@@H](C)N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n1 ZINC000111621282 643343032 /nfs/dbraw/zinc/34/30/32/643343032.db2.gz GIWSRPLIEKOYGD-SNVBAGLBSA-N -1 1 395.257 2.365 20 0 GEADMM Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n1 ZINC000111621157 643343043 /nfs/dbraw/zinc/34/30/43/643343043.db2.gz RFPQSKSCMXWAOD-SNVBAGLBSA-N -1 1 395.257 2.365 20 0 GEADMM CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1cncc([O-])c1 ZINC000111633680 643343096 /nfs/dbraw/zinc/34/30/96/643343096.db2.gz VDTYAYVAKNEFOI-UHFFFAOYSA-N -1 1 392.253 2.328 20 0 GEADMM Cc1cccc(I)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538226306 650832445 /nfs/dbraw/zinc/83/24/45/650832445.db2.gz PBPAJOIQUDINOA-SNVBAGLBSA-N -1 1 397.220 2.133 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000538423850 650836562 /nfs/dbraw/zinc/83/65/62/650836562.db2.gz UPUFQMUXDVGFJD-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(Br)c2)c1 ZINC000538951895 650839851 /nfs/dbraw/zinc/83/98/51/650839851.db2.gz OCGRJZIMVKTFMN-UHFFFAOYSA-N -1 1 377.241 2.116 20 0 GEADMM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000116357282 643459749 /nfs/dbraw/zinc/45/97/49/643459749.db2.gz FFGPLLGJQZHARH-QWRGUYRKSA-N -1 1 378.416 2.466 20 0 GEADMM CC(C)[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000117370960 643490023 /nfs/dbraw/zinc/49/00/23/643490023.db2.gz VCUMVVQMRHDFIC-CQSZACIVSA-N -1 1 378.491 2.396 20 0 GEADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000117740456 643497535 /nfs/dbraw/zinc/49/75/35/643497535.db2.gz TVTFRHTWKFOYHN-UHFFFAOYSA-N -1 1 392.861 2.329 20 0 GEADMM O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc(Br)ccc1[O-] ZINC000121594979 643636527 /nfs/dbraw/zinc/63/65/27/643636527.db2.gz MJWGIIQUFBOCGE-UHFFFAOYSA-N -1 1 392.131 2.369 20 0 GEADMM Cc1cccc(C)c1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000123447506 643671011 /nfs/dbraw/zinc/67/10/11/643671011.db2.gz AGDBSWOYYQVSKP-UHFFFAOYSA-N -1 1 386.470 2.293 20 0 GEADMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)c(C)c2)cc1 ZINC000498489400 650858503 /nfs/dbraw/zinc/85/85/03/650858503.db2.gz LXJQOEXEFSDRLR-UHFFFAOYSA-N -1 1 383.491 2.388 20 0 GEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccc2cc(Br)ccc2c1 ZINC000127125699 643757926 /nfs/dbraw/zinc/75/79/26/643757926.db2.gz HMRRKEYWEMRAIB-UHFFFAOYSA-N -1 1 375.226 2.376 20 0 GEADMM CSc1nc(C)c(CCC(=O)NC[C@H](O)c2ccccc2Cl)c(=O)[n-]1 ZINC000130142124 643830244 /nfs/dbraw/zinc/83/02/44/643830244.db2.gz IVPBGNURSXVCMB-AWEZNQCLSA-N -1 1 381.885 2.236 20 0 GEADMM O=C([N-]NC(=O)c1ccoc1)c1cc(I)c(F)cc1F ZINC000153480661 643988583 /nfs/dbraw/zinc/98/85/83/643988583.db2.gz IFKHKUMPHBFPGS-UHFFFAOYSA-N -1 1 392.099 2.237 20 0 GEADMM Cc1c2cccc(Br)c2oc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000542099167 650886664 /nfs/dbraw/zinc/88/66/64/650886664.db2.gz SKENTMAKMICYKF-UHFFFAOYSA-N -1 1 399.226 2.278 20 0 GEADMM Cc1c2cccc(Br)c2oc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000542099167 650886667 /nfs/dbraw/zinc/88/66/67/650886667.db2.gz SKENTMAKMICYKF-UHFFFAOYSA-N -1 1 399.226 2.278 20 0 GEADMM O=C([N-]NC(=O)c1cnn(-c2ccccc2)c1)c1ccncc1Br ZINC000154708407 644059364 /nfs/dbraw/zinc/05/93/64/644059364.db2.gz KADCQBVNFSRROC-UHFFFAOYSA-N -1 1 386.209 2.105 20 0 GEADMM CC[C@H](CNC(=O)c1coc(S(=O)(=O)[N-]C)c1)Oc1ccccc1Cl ZINC000155112065 644065391 /nfs/dbraw/zinc/06/53/91/644065391.db2.gz JJDIPEFIPKIQRJ-GFCCVEGCSA-N -1 1 386.857 2.429 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C)nc2)c(Br)o1 ZINC000155226387 644067722 /nfs/dbraw/zinc/06/77/22/644067722.db2.gz QVXQDIKKRDGVBL-UHFFFAOYSA-N -1 1 389.227 2.011 20 0 GEADMM O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1nc(Br)ccc1[O-] ZINC000156403201 644094248 /nfs/dbraw/zinc/09/42/48/644094248.db2.gz IMWCJMUDLVMNFU-UHFFFAOYSA-N -1 1 386.152 2.196 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000156395420 644094490 /nfs/dbraw/zinc/09/44/90/644094490.db2.gz NYEPLVIVRLPDPA-AWEZNQCLSA-N -1 1 392.253 2.389 20 0 GEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC(C)(C)C ZINC000157942428 644138570 /nfs/dbraw/zinc/13/85/70/644138570.db2.gz QYRSIEHIGYAECK-ONGXEEELSA-N -1 1 379.910 2.417 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Br)cc2)co1 ZINC000158944662 644169082 /nfs/dbraw/zinc/16/90/82/644169082.db2.gz QKDHLEWPTYYBGY-UHFFFAOYSA-N -1 1 387.255 2.222 20 0 GEADMM O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)c1ccc(Br)c([O-])c1 ZINC000543027714 650897768 /nfs/dbraw/zinc/89/77/68/650897768.db2.gz CAPXRAVZJKFVSI-ZDUSSCGKSA-N -1 1 379.185 2.439 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)co1 ZINC000162048558 644230457 /nfs/dbraw/zinc/23/04/57/644230457.db2.gz SGYJHABPXMSWLA-UHFFFAOYSA-N -1 1 376.356 2.479 20 0 GEADMM CS(=O)(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000163060823 644246997 /nfs/dbraw/zinc/24/69/97/644246997.db2.gz GWPHEHRVLCNPNQ-LBPRGKRZSA-N -1 1 393.408 2.168 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000171042627 644303645 /nfs/dbraw/zinc/30/36/45/644303645.db2.gz HPQULVVUYJBECD-VHSXEESVSA-N -1 1 380.297 2.456 20 0 GEADMM CCOC(=O)CN(Cn1[n-]c(-c2ccccn2)nc1=S)CC(F)(F)F ZINC000172236910 644338143 /nfs/dbraw/zinc/33/81/43/644338143.db2.gz PMOFTZSDIRYNJO-UHFFFAOYSA-N -1 1 375.376 2.388 20 0 GEADMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000172593288 644340282 /nfs/dbraw/zinc/34/02/82/644340282.db2.gz ZZWAAPWWRIHCQG-UHFFFAOYSA-N -1 1 385.667 2.118 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1cc(Br)cnc1Cl ZINC000178806341 644440033 /nfs/dbraw/zinc/44/00/33/644440033.db2.gz SZKIKPBBNQRFFW-WPRPVWTQSA-N -1 1 383.695 2.327 20 0 GEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1 ZINC000543866625 650926760 /nfs/dbraw/zinc/92/67/60/650926760.db2.gz TWDBOIHQOVXZEQ-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)o1 ZINC000544370198 650940251 /nfs/dbraw/zinc/94/02/51/650940251.db2.gz CPCABSWTMJJXRM-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM COc1cc(NC(=O)NC[C@H](C)c2nccs2)ccc1[N-]S(C)(=O)=O ZINC000544569861 650944611 /nfs/dbraw/zinc/94/46/11/650944611.db2.gz IZUGKZLNOSVXJL-JTQLQIEISA-N -1 1 384.483 2.448 20 0 GEADMM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544808652 650953948 /nfs/dbraw/zinc/95/39/48/650953948.db2.gz YIYXJAYZXMODBY-QMMMGPOBSA-N -1 1 378.219 2.484 20 0 GEADMM CCc1nnc([C@@H](C)NC(=O)c2ccc(I)c([O-])c2)[nH]1 ZINC000544880516 650957161 /nfs/dbraw/zinc/95/71/61/650957161.db2.gz FDEYHRMNXXMRMQ-SSDOTTSWSA-N -1 1 386.193 2.168 20 0 GEADMM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)co1 ZINC000182151650 644958097 /nfs/dbraw/zinc/95/80/97/644958097.db2.gz ILLGEIIAPAXJMA-UHFFFAOYSA-N -1 1 384.464 2.362 20 0 GEADMM O=C(NCC[C@H]1CCCCO1)N[N-]C(=O)c1cc(F)ccc1Br ZINC000182193368 644960173 /nfs/dbraw/zinc/96/01/73/644960173.db2.gz KEYNNBUXHVWNJU-LLVKDONJSA-N -1 1 388.237 2.491 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)NCc2ccco2)c1 ZINC000182905701 644973698 /nfs/dbraw/zinc/97/36/98/644973698.db2.gz YNUMDOYPLWRDIC-UHFFFAOYSA-N -1 1 382.214 2.494 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CCn2nc3ccccn3c2=O)c1 ZINC000182908512 644973842 /nfs/dbraw/zinc/97/38/42/644973842.db2.gz DYQXQDIMUMUFBZ-UHFFFAOYSA-N -1 1 391.225 2.301 20 0 GEADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCOCC1 ZINC000183377186 644991823 /nfs/dbraw/zinc/99/18/23/644991823.db2.gz HXOHMRDNMBTWNT-SNVBAGLBSA-N -1 1 379.232 2.205 20 0 GEADMM O=C(N[N-]C(=O)c1cc(F)ccc1Br)Nc1ccncc1[N+](=O)[O-] ZINC000183443261 644993303 /nfs/dbraw/zinc/99/33/03/644993303.db2.gz ONWTYMJBRMXNKR-UHFFFAOYSA-N -1 1 398.148 2.358 20 0 GEADMM O=C(NCCNC(=O)c1c([O-])cccc1F)c1cccc(Br)c1 ZINC000184601753 645022462 /nfs/dbraw/zinc/02/24/62/645022462.db2.gz ZYYORYZYRDBPSP-UHFFFAOYSA-N -1 1 381.201 2.454 20 0 GEADMM COc1ccc(NCC(=O)N[N-]C(=O)c2cccc(Br)c2F)cc1 ZINC000192330307 645200015 /nfs/dbraw/zinc/20/00/15/645200015.db2.gz FNNOFOXJAAHKDJ-UHFFFAOYSA-N -1 1 396.216 2.470 20 0 GEADMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1cccc2nsnc21 ZINC000192836017 645224784 /nfs/dbraw/zinc/22/47/84/645224784.db2.gz ULQDEZDWJKUGOL-UHFFFAOYSA-N -1 1 393.841 2.121 20 0 GEADMM COc1ccnc(CNC(=O)c2ccc(I)c([O-])c2)c1 ZINC000546192469 650995270 /nfs/dbraw/zinc/99/52/70/650995270.db2.gz ISWNDRUIOFHJMK-UHFFFAOYSA-N -1 1 384.173 2.330 20 0 GEADMM CCOC[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000546193250 650995328 /nfs/dbraw/zinc/99/53/28/650995328.db2.gz VZPUTLKRZWWAJR-SNVBAGLBSA-N -1 1 375.206 2.495 20 0 GEADMM CC[C@H]1CCCCN1C(=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195164209 645358822 /nfs/dbraw/zinc/35/88/22/645358822.db2.gz FVXZAENTHVXNQO-LBPRGKRZSA-N -1 1 382.511 2.022 20 0 GEADMM CC[C@H]1CCCCN1C(=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195164209 645358826 /nfs/dbraw/zinc/35/88/26/645358826.db2.gz FVXZAENTHVXNQO-LBPRGKRZSA-N -1 1 382.511 2.022 20 0 GEADMM C[C@H](NC(=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1)c1cccs1 ZINC000195161671 645358976 /nfs/dbraw/zinc/35/89/76/645358976.db2.gz YPDWPNWCPHWGIY-JTQLQIEISA-N -1 1 396.519 2.170 20 0 GEADMM C[C@H](NC(=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1)c1cccs1 ZINC000195161671 645358985 /nfs/dbraw/zinc/35/89/85/645358985.db2.gz YPDWPNWCPHWGIY-JTQLQIEISA-N -1 1 396.519 2.170 20 0 GEADMM CCCCC[C@@H](C)NC(=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195164242 645358997 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653791417 /nfs/dbraw/zinc/79/14/17/653791417.db2.gz WNZIKJHJPGUQQH-VWLOTQADSA-N -1 1 375.437 2.323 20 0 GEADMM COC(=O)[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000882642538 653793918 /nfs/dbraw/zinc/79/39/18/653793918.db2.gz PPNITDIQPACUHA-LLVKDONJSA-N -1 1 397.280 2.025 20 0 GEADMM COc1cccc(S([O-])=CC(=O)OCc2nn(C)cc2Br)c1 ZINC000821352025 653795624 /nfs/dbraw/zinc/79/56/24/653795624.db2.gz HDAALVISGHXMCM-QFIPXVFZSA-N -1 1 387.255 2.042 20 0 GEADMM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000866447483 653796352 /nfs/dbraw/zinc/79/63/52/653796352.db2.gz JUASBVVAISZYNY-FNODVLLQSA-N -1 1 382.463 2.468 20 0 GEADMM O=S(=O)([N-]CCc1cn2c(n1)CCCC2)c1cc(Cl)cnc1Cl ZINC000866469146 653797402 /nfs/dbraw/zinc/79/74/02/653797402.db2.gz HEFIYCWQPVBBFH-UHFFFAOYSA-N -1 1 375.281 2.442 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c(F)c1 ZINC000882707188 653799043 /nfs/dbraw/zinc/79/90/43/653799043.db2.gz JHZRSWYYEXTICK-VHRBIJSZSA-N -1 1 376.475 2.054 20 0 GEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000866618731 653806271 /nfs/dbraw/zinc/80/62/71/653806271.db2.gz JXPLFJZFVJQQIX-ZDUSSCGKSA-N -1 1 391.946 2.263 20 0 GEADMM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000882780953 653807080 /nfs/dbraw/zinc/80/70/80/653807080.db2.gz VUFSMAFCQFYRSD-SECBINFHSA-N -1 1 383.722 2.185 20 0 GEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(CS(=O)(=O)CC)cc1 ZINC000844664378 653812466 /nfs/dbraw/zinc/81/24/66/653812466.db2.gz RDYWVDFVIDGTDF-OAHLLOKOSA-N -1 1 391.511 2.095 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C1(c2ccc(F)cc2)CCOCC1 ZINC000866817782 653831959 /nfs/dbraw/zinc/83/19/59/653831959.db2.gz XOFRHNXJMUYGFI-UHFFFAOYSA-N -1 1 378.491 2.174 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)Oc1cccc(F)c1 ZINC000866882579 653842598 /nfs/dbraw/zinc/84/25/98/653842598.db2.gz SBKNLHPJVHWXDN-VIFPVBQESA-N -1 1 381.351 2.324 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1CCSC1)c1cccc(Br)c1 ZINC000866886381 653843530 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C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1)c1ccccc1F ZINC000866983432 653860056 /nfs/dbraw/zinc/86/00/56/653860056.db2.gz BWSKQPAMOJACLD-MYODQAERSA-N -1 1 376.475 2.219 20 0 GEADMM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000866992361 653861542 /nfs/dbraw/zinc/86/15/42/653861542.db2.gz SXTCLZHXGBRCRQ-MCMMXHMISA-N -1 1 383.923 2.235 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(Br)cnc1Cl ZINC000823379992 653866145 /nfs/dbraw/zinc/86/61/45/653866145.db2.gz NNOUOHOFPAATFC-UHFFFAOYSA-N -1 1 386.622 2.386 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(Br)cnc1Cl ZINC000823379992 653866149 /nfs/dbraw/zinc/86/61/49/653866149.db2.gz NNOUOHOFPAATFC-UHFFFAOYSA-N -1 1 386.622 2.386 20 0 GEADMM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000845889494 653868046 /nfs/dbraw/zinc/86/80/46/653868046.db2.gz VEVOTQYKEASPSI-INIZCTEOSA-N -1 1 376.881 2.499 20 0 GEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000867031927 653869185 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/nfs/dbraw/zinc/89/46/31/653894631.db2.gz NWSOZDLTXJYGFS-NEPJUHHUSA-N -1 1 388.287 2.209 20 0 GEADMM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)cc1 ZINC000867213187 653895632 /nfs/dbraw/zinc/89/56/32/653895632.db2.gz BHUDRZKTXRMHEO-NWDGAFQWSA-N -1 1 375.372 2.282 20 0 GEADMM Cc1cc(C)cc([C@H](O)C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c1 ZINC000867237696 653900767 /nfs/dbraw/zinc/90/07/67/653900767.db2.gz HJINOENKDUNYNT-GFCCVEGCSA-N -1 1 377.388 2.068 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccc(OC)c(OC)c1 ZINC000867259585 653904173 /nfs/dbraw/zinc/90/41/73/653904173.db2.gz RJIAODFCEHZNMI-ZDUSSCGKSA-N -1 1 376.500 2.251 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)c2c(Br)nc3n2CCCC3)n1 ZINC000846651438 653905832 /nfs/dbraw/zinc/90/58/32/653905832.db2.gz SIESRAQNCSRMLM-UHFFFAOYSA-N -1 1 382.218 2.134 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1)c1ccccc1 ZINC000867343492 653918732 /nfs/dbraw/zinc/91/87/32/653918732.db2.gz OXBRHMBOZFCDLM-OIRASMEMSA-N -1 1 399.460 2.004 20 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654499378 /nfs/dbraw/zinc/49/93/78/654499378.db2.gz YCVPZQSIIBCBCE-UHFFFAOYSA-N -1 1 378.853 2.330 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)c(Cl)cc1F ZINC000907061877 654505443 /nfs/dbraw/zinc/50/54/43/654505443.db2.gz FGHANOZGVKEUJW-LLVKDONJSA-N -1 1 390.864 2.473 20 0 GEADMM Cc1cc(Br)c(F)c(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000907471051 654546204 /nfs/dbraw/zinc/54/62/04/654546204.db2.gz GHKLIJGQGHNSQI-SNVBAGLBSA-N -1 1 386.250 2.340 20 0 GEADMM O=C(c1cc(F)c(Br)cc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907470500 654546254 /nfs/dbraw/zinc/54/62/54/654546254.db2.gz AXVFDOMQHZYKLM-JTQLQIEISA-N -1 1 390.213 2.171 20 0 GEADMM O=C(c1[nH]c2ccccc2c1Br)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472965 654546468 /nfs/dbraw/zinc/54/64/68/654546468.db2.gz AEFNDQAQZXTERW-SNVBAGLBSA-N -1 1 393.270 2.374 20 0 GEADMM Cc1c(Br)ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1F ZINC000907481098 654548305 /nfs/dbraw/zinc/54/83/05/654548305.db2.gz ZKHDKZQUMNIFPE-JTQLQIEISA-N -1 1 386.250 2.340 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N=S1(=O)CCCC1 ZINC000925938003 654554215 /nfs/dbraw/zinc/55/42/15/654554215.db2.gz OEOVIKZOHXTGEL-UHFFFAOYSA-N -1 1 385.294 2.060 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCOC23CCCCC3)c(Br)n1C ZINC000907645708 654563118 /nfs/dbraw/zinc/56/31/18/654563118.db2.gz WFPFCGROOSLHGE-LLVKDONJSA-N -1 1 392.319 2.261 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000926558172 654575287 /nfs/dbraw/zinc/57/52/87/654575287.db2.gz PHMVHGDFUYUICU-SKDRFNHKSA-N -1 1 385.335 2.302 20 0 GEADMM COc1ccc([O-])c(S(=O)(=O)N2CCCSC[C@H]2c2cnn(C)c2)c1 ZINC000907776511 654577928 /nfs/dbraw/zinc/57/79/28/654577928.db2.gz ZMXIICMKZSYKBG-AWEZNQCLSA-N -1 1 383.495 2.003 20 0 GEADMM CC1(C)CC2(CC([N-]S(=O)(=O)c3ncccc3Br)C2)CO1 ZINC000907999493 654595499 /nfs/dbraw/zinc/59/54/99/654595499.db2.gz MIJOXHSRLLZZRQ-UHFFFAOYSA-N -1 1 375.288 2.470 20 0 GEADMM COC(=O)C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1nc(C)c(C)s1)CCS2 ZINC000908261532 654617713 /nfs/dbraw/zinc/61/77/13/654617713.db2.gz VLEDEKLLRINPLD-MQYJIDSJSA-N -1 1 390.552 2.256 20 0 GEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnn(C(C)(C)C)c1I ZINC000908370236 654623483 /nfs/dbraw/zinc/62/34/83/654623483.db2.gz IRQIWYIZJLBNIB-UHFFFAOYSA-N -1 1 389.197 2.232 20 0 GEADMM O=S(=O)([N-][C@@H]1COC[C@H]1C1CC1)c1cc(Br)cnc1Cl ZINC000908407337 654626900 /nfs/dbraw/zinc/62/69/00/654626900.db2.gz DJFXRZYQMABRKW-VHSXEESVSA-N -1 1 381.679 2.201 20 0 GEADMM O=S(=O)([N-]CCOC1CCSCC1)c1ncccc1Br ZINC000908457339 654630788 /nfs/dbraw/zinc/63/07/88/654630788.db2.gz FDUMQIRTAAXXQW-UHFFFAOYSA-N -1 1 381.317 2.035 20 0 GEADMM CC1=C(C(=O)Nc2cccc([O-])c2Br)[C@H](C)n2nnnc2N1C ZINC000908708432 654638239 /nfs/dbraw/zinc/63/82/39/654638239.db2.gz WGSRRAGRPPRCIF-QMMMGPOBSA-N -1 1 379.218 2.065 20 0 GEADMM C[C@@H](C(=O)Nc1cccc([O-])c1Br)S(=O)(=O)C1CCOCC1 ZINC000908710202 654638577 /nfs/dbraw/zinc/63/85/77/654638577.db2.gz ZOFAHVMQFGYWEO-VIFPVBQESA-N -1 1 392.271 2.076 20 0 GEADMM CCOC(=O)[C@@H](CSC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000928293312 654639431 /nfs/dbraw/zinc/63/94/31/654639431.db2.gz WGZGYQZTOUIOJP-SECBINFHSA-N -1 1 397.241 2.347 20 0 GEADMM CN1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)[O-] ZINC000909387733 654662481 /nfs/dbraw/zinc/66/24/81/654662481.db2.gz PAIHGTSKNJBFRL-ZIAGYGMSSA-N -1 1 394.269 2.137 20 0 GEADMM O=C(CCc1nn[n-]n1)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000928928285 654665962 /nfs/dbraw/zinc/66/59/62/654665962.db2.gz OBYVKPTYFKFMLJ-GFCCVEGCSA-N -1 1 392.257 2.458 20 0 GEADMM CC(C)(CN1CCOCC1)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000909672183 654670966 /nfs/dbraw/zinc/67/09/66/654670966.db2.gz YQZYBWFBHLONAO-UHFFFAOYSA-N -1 1 399.285 2.122 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(F)cc2Br)CC1 ZINC000910169906 654690275 /nfs/dbraw/zinc/69/02/75/654690275.db2.gz HKOYRIDXOBFOBS-NSHDSACASA-N -1 1 387.249 2.138 20 0 GEADMM CO[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@](C)(C(=O)[O-])C1 ZINC000910267800 654694750 /nfs/dbraw/zinc/69/47/50/654694750.db2.gz XLGNWBSYDOWTPX-VFZGTOFNSA-N -1 1 382.214 2.030 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000910286906 654695362 /nfs/dbraw/zinc/69/53/62/654695362.db2.gz FKUUDHFFZFHMCE-JWSRLSBWSA-N -1 1 393.281 2.000 20 0 GEADMM Cc1nc(C2CCN(C(=O)CN(C)[C@@H]3CCSC3)CC2)sc1C(=O)[O-] ZINC000910353501 654697663 /nfs/dbraw/zinc/69/76/63/654697663.db2.gz CRRXVYWSNWBQRX-CYBMUJFWSA-N -1 1 383.539 2.293 20 0 GEADMM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000910372678 654698045 /nfs/dbraw/zinc/69/80/45/654698045.db2.gz SPYISYBLOAFBJW-NSHDSACASA-N -1 1 378.372 2.270 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2(c3ccc(Br)cc3)CC2)C1 ZINC000910380601 654698503 /nfs/dbraw/zinc/69/85/03/654698503.db2.gz WGKAOHLEMFTZIV-CYBMUJFWSA-N -1 1 395.297 2.394 20 0 GEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)C(=O)[C@H]2CCCN2C)c1 ZINC000910764820 654709623 /nfs/dbraw/zinc/70/96/23/654709623.db2.gz GRSJUJOOSFPDOX-KGLIPLIRSA-N -1 1 385.258 2.136 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000911562904 654726355 /nfs/dbraw/zinc/72/63/55/654726355.db2.gz VKIMFRDVDAOCHD-SWLSCSKDSA-N -1 1 389.279 2.330 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000911584734 654727135 /nfs/dbraw/zinc/72/71/35/654727135.db2.gz YDIDFMNELSDATH-NSHDSACASA-N -1 1 381.885 2.405 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)c1ccc(F)cc1Cl ZINC000912543858 654759169 /nfs/dbraw/zinc/75/91/69/654759169.db2.gz IIGUXMJCTUFCRO-UHFFFAOYSA-N -1 1 389.836 2.245 20 0 GEADMM CSCC[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1nn[n-]n1 ZINC000912859982 654771515 /nfs/dbraw/zinc/77/15/15/654771515.db2.gz GMGQKJMSYQDQAU-NSHDSACASA-N -1 1 376.269 2.496 20 0 GEADMM CSCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1nn[n-]n1 ZINC000912860081 654771525 /nfs/dbraw/zinc/77/15/25/654771525.db2.gz MCHQEYWWNIGZOO-JTQLQIEISA-N -1 1 376.269 2.496 20 0 GEADMM COc1ccc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)c(Br)c1 ZINC000912860606 654771917 /nfs/dbraw/zinc/77/19/17/654771917.db2.gz ROIZQIOYINRJES-NSHDSACASA-N -1 1 386.275 2.195 20 0 GEADMM O=C([N-]N1CC(=O)NC1=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000932882403 654793508 /nfs/dbraw/zinc/79/35/08/654793508.db2.gz PZFJYWNMBHXACH-SECBINFHSA-N -1 1 385.129 2.363 20 0 GEADMM O=C(c1ccc2ccc(Br)cc2c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493811 654795806 /nfs/dbraw/zinc/79/58/06/654795806.db2.gz JMJJALLRFDCLEP-CQSZACIVSA-N -1 1 388.225 2.329 20 0 GEADMM O=C(c1cc2ccc(Br)cc2s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496680 654796002 /nfs/dbraw/zinc/79/60/02/654796002.db2.gz ADNIWULBEMOJDM-SNVBAGLBSA-N -1 1 394.254 2.391 20 0 GEADMM C[C@H](CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1ccc(Br)cc1 ZINC000913495434 654796171 /nfs/dbraw/zinc/79/61/71/654796171.db2.gz KERACSDJQGFXNQ-ZWNOBZJWSA-N -1 1 380.246 2.056 20 0 GEADMM Cc1cc(Br)c(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1Cl ZINC000913499578 654796566 /nfs/dbraw/zinc/79/65/66/654796566.db2.gz WIKVUYYKZLEDDS-NSHDSACASA-N -1 1 386.637 2.138 20 0 GEADMM C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])Cc2c[nH]nc21 ZINC000913588684 654800835 /nfs/dbraw/zinc/80/08/35/654800835.db2.gz NYGFZSOAWFCBOJ-MRVPVSSYSA-N -1 1 383.189 2.479 20 0 GEADMM C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743366 654807143 /nfs/dbraw/zinc/80/71/43/654807143.db2.gz RZNAETYOJKKQTA-SECBINFHSA-N -1 1 398.236 2.275 20 0 GEADMM O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC(c2nn[n-]n2)CC1 ZINC000913747181 654807596 /nfs/dbraw/zinc/80/75/96/654807596.db2.gz SRIYDHQIMOZQAH-QLFBSQMISA-N -1 1 388.269 2.254 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@@H]1CCCO1 ZINC000913884543 654813593 /nfs/dbraw/zinc/81/35/93/654813593.db2.gz VRMJGCZJGPSDHW-RULNZOCKSA-N -1 1 386.417 2.437 20 0 GEADMM Cc1nc(C[N-]S(=O)(=O)Cc2cccc(Cl)c2Br)no1 ZINC000914184959 654833608 /nfs/dbraw/zinc/83/36/08/654833608.db2.gz QEYIAAHIWJHUBV-UHFFFAOYSA-N -1 1 380.651 2.414 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CCO)C(C)C)c1F ZINC000914194683 654834243 /nfs/dbraw/zinc/83/42/43/654834243.db2.gz PXSGOZWYTHUCLG-SNVBAGLBSA-N -1 1 384.267 2.282 20 0 GEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914237928 654837774 /nfs/dbraw/zinc/83/77/74/654837774.db2.gz JXLYZGSNMOORQI-VIFPVBQESA-N -1 1 384.267 2.284 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914244122 654838395 /nfs/dbraw/zinc/83/83/95/654838395.db2.gz AYGBOSFHPPLSGV-MWLCHTKSSA-N -1 1 380.388 2.052 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c1F ZINC000914425399 654853627 /nfs/dbraw/zinc/85/36/27/654853627.db2.gz WLDDJZSIMLDXAM-RKDXNWHRSA-N -1 1 382.251 2.036 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nc(-c3cccs3)no2)o1 ZINC000915417176 654870370 /nfs/dbraw/zinc/87/03/70/654870370.db2.gz XWWOKLAZIMBRPS-MRVPVSSYSA-N -1 1 383.407 2.217 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CC(C)(C)O)c1F ZINC000916050574 654886039 /nfs/dbraw/zinc/88/60/39/654886039.db2.gz QISBKPZMGFROKI-QMMMGPOBSA-N -1 1 384.267 2.425 20 0 GEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000915876567 654881349 /nfs/dbraw/zinc/88/13/49/654881349.db2.gz XYPSGGXBTORNPK-VXGBXAGGSA-N -1 1 388.511 2.456 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)NCC1CCCCC1 ZINC000915876182 654881433 /nfs/dbraw/zinc/88/14/33/654881433.db2.gz KTFUIFRMSFTDTJ-NSHDSACASA-N -1 1 388.511 2.361 20 0 GEADMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1occc1Br)c1cccnc1 ZINC000915879879 654881738 /nfs/dbraw/zinc/88/17/38/654881738.db2.gz HXCYCIGPLVVFEP-GFCCVEGCSA-N -1 1 389.271 2.475 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@H](C)CCO)c1F ZINC000915993047 654884366 /nfs/dbraw/zinc/88/43/66/654884366.db2.gz YQENDAYAHHWKSN-VIFPVBQESA-N -1 1 384.267 2.284 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CCCCO)c1F ZINC000916037797 654885642 /nfs/dbraw/zinc/88/56/42/654885642.db2.gz JFDLUAOHFDIKAM-VIFPVBQESA-N -1 1 384.267 2.426 20 0 GEADMM C[C@H](CN(C)C(=O)c1nccc2c(Br)cccc21)c1nn[n-]n1 ZINC000935365119 654889652 /nfs/dbraw/zinc/88/96/52/654889652.db2.gz CLQBIAIEMYLSCF-SECBINFHSA-N -1 1 375.230 2.386 20 0 GEADMM C[C@@H](C(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccc(I)cc1 ZINC000935365649 654889662 /nfs/dbraw/zinc/88/96/62/654889662.db2.gz JVVJYBUBIFCPRT-VHSXEESVSA-N -1 1 399.236 2.170 20 0 GEADMM O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)Nc1nc(Cl)ccc1[O-] ZINC000935598591 654903292 /nfs/dbraw/zinc/90/32/92/654903292.db2.gz RXEZZWGINGZMCU-UHFFFAOYSA-N -1 1 376.722 2.367 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cc3c(cc2Br)OCCO3)c1C ZINC000151421533 531499789 /nfs/dbraw/zinc/49/97/89/531499789.db2.gz GLMAXHQSOLAIBD-UHFFFAOYSA-N -1 1 388.243 2.361 20 0 GEADMM Cc1nc2nc(S(=O)(=O)Cc3nnc(C4CC4)o3)[n-]c2cc1Br ZINC000152057478 531527701 /nfs/dbraw/zinc/52/77/01/531527701.db2.gz KIJQTTXHOICMLY-UHFFFAOYSA-N -1 1 398.242 2.263 20 0 GEADMM Cc1[n-]c2nc(S(=O)(=O)Cc3nnc(C4CC4)o3)nc-2cc1Br ZINC000152057478 531527715 /nfs/dbraw/zinc/52/77/15/531527715.db2.gz KIJQTTXHOICMLY-UHFFFAOYSA-N -1 1 398.242 2.263 20 0 GEADMM Cc1nc2nc(S(=O)(=O)Cc3nc(C4CC4)no3)[n-]c2cc1Br ZINC000152035398 531528519 /nfs/dbraw/zinc/52/85/19/531528519.db2.gz JERWATOJIFMHJV-UHFFFAOYSA-N -1 1 398.242 2.263 20 0 GEADMM Cc1[n-]c2nc(S(=O)(=O)Cc3nc(C4CC4)no3)nc-2cc1Br ZINC000152035398 531528531 /nfs/dbraw/zinc/52/85/31/531528531.db2.gz JERWATOJIFMHJV-UHFFFAOYSA-N -1 1 398.242 2.263 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)co1 ZINC000152550300 531558087 /nfs/dbraw/zinc/55/80/87/531558087.db2.gz KNMMBXUMRQSUSP-BMIGLBTASA-N -1 1 386.857 2.347 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)co1 ZINC000155373801 531681006 /nfs/dbraw/zinc/68/10/06/531681006.db2.gz RQONIHVPXLHIFQ-GFCCVEGCSA-N -1 1 382.463 2.127 20 0 GEADMM O=C(CCc1cc(Br)ccc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155646564 531694192 /nfs/dbraw/zinc/69/41/92/531694192.db2.gz HLYHKCQJFLQGJB-NSHDSACASA-N -1 1 382.237 2.440 20 0 GEADMM O=C(CCc1ccc(Br)cc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155631187 531692366 /nfs/dbraw/zinc/69/23/66/531692366.db2.gz ZOAJWNXFAKBMKX-NSHDSACASA-N -1 1 382.237 2.440 20 0 GEADMM 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CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000594700263 532521038 /nfs/dbraw/zinc/52/10/38/532521038.db2.gz OYAGIHYUFWNOQR-LLVKDONJSA-N -1 1 382.335 2.469 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)cc(Cl)c1F ZINC000594706510 532522619 /nfs/dbraw/zinc/52/26/19/532522619.db2.gz SEMXINDYPZHQTD-RNCFNFMXSA-N -1 1 395.836 2.059 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000431895819 532523920 /nfs/dbraw/zinc/52/39/20/532523920.db2.gz HPQCNMYOFLQYCE-LBPRGKRZSA-N -1 1 384.841 2.277 20 0 GEADMM COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)ccc1F ZINC000471623331 532553048 /nfs/dbraw/zinc/55/30/48/532553048.db2.gz AHJUDKJMRJDZNM-UHFFFAOYSA-N -1 1 391.417 2.319 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)cc1C ZINC000595313326 532555047 /nfs/dbraw/zinc/55/50/47/532555047.db2.gz YXUSHCQHVOQNJB-UHFFFAOYSA-N -1 1 384.479 2.231 20 0 GEADMM CO[C@@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1(C)C ZINC000565334249 532556962 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O=S(=O)([N-]CCNc1nccc(C(F)(F)F)n1)c1ccc(C(F)F)o1 ZINC000631995379 532571847 /nfs/dbraw/zinc/57/18/47/532571847.db2.gz FKWILADNWCOZKJ-UHFFFAOYSA-N -1 1 386.302 2.416 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)o1 ZINC000433505796 532572161 /nfs/dbraw/zinc/57/21/61/532572161.db2.gz JUBUHKULDDMAIR-GFCCVEGCSA-N -1 1 389.495 2.179 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(F)c1 ZINC000566137048 532595264 /nfs/dbraw/zinc/59/52/64/532595264.db2.gz QYPSMGKMMQQRAI-GOEBONIOSA-N -1 1 375.437 2.262 20 0 GEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000433591810 532573705 /nfs/dbraw/zinc/57/37/05/532573705.db2.gz DMLUWHIFAOIGGD-UHFFFAOYSA-N -1 1 388.442 2.144 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000472742143 532581188 /nfs/dbraw/zinc/58/11/88/532581188.db2.gz VUQFCJYWDURAAA-GDBMZVCRSA-N -1 1 389.901 2.303 20 0 GEADMM CC(C)n1cc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)nn1 ZINC000632528955 532621256 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/nfs/dbraw/zinc/63/70/76/532637076.db2.gz VRDUFYYODPLYNE-UHFFFAOYSA-N -1 1 397.298 2.186 20 0 GEADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000436504162 532637853 /nfs/dbraw/zinc/63/78/53/532637853.db2.gz MEAKTOJZIVWOPU-UHFFFAOYSA-N -1 1 383.809 2.488 20 0 GEADMM CCOC(=O)C(=C([O-])CSc1nnc(C2CC2)n1C)c1nc(C)cs1 ZINC000298297439 532639684 /nfs/dbraw/zinc/63/96/84/532639684.db2.gz IHBUKBLZWCZZMF-LBPRGKRZSA-N -1 1 380.495 2.466 20 0 GEADMM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ncccc1Br ZINC000656887016 532639941 /nfs/dbraw/zinc/63/99/41/532639941.db2.gz QRXGVBVVEXGUQN-ZETCQYMHSA-N -1 1 377.182 2.090 20 0 GEADMM O=S(=O)([N-]CCN1Cc2ccccc2C1)c1ncccc1Br ZINC000656885521 532640142 /nfs/dbraw/zinc/64/01/42/532640142.db2.gz SMWCVJCVVBZRPG-UHFFFAOYSA-N -1 1 382.283 2.138 20 0 GEADMM CCCn1c(=O)c2cc(Br)ccc2nc1SCc1nn[n-]n1 ZINC000298303061 532640130 /nfs/dbraw/zinc/64/01/30/532640130.db2.gz KECRSQKOCDGTIZ-UHFFFAOYSA-N -1 1 381.259 2.374 20 0 GEADMM CCOC(=O)[C@H](NC(=O)c1ccc(Br)cc1[O-])[C@H]1CCCOC1 ZINC000436656848 532640672 /nfs/dbraw/zinc/64/06/72/532640672.db2.gz HULBUKJKCNWPBE-IINYFYTJSA-N -1 1 386.242 2.243 20 0 GEADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1c([O-])cccc1F ZINC000436671189 532641402 /nfs/dbraw/zinc/64/14/02/532641402.db2.gz IMCKZISHUQVGPR-UHFFFAOYSA-N -1 1 390.795 2.032 20 0 GEADMM CCOC(=O)[C@@H](NC(=O)c1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000436657882 532641606 /nfs/dbraw/zinc/64/16/06/532641606.db2.gz RVWYRQCHMPNHNJ-YGRLFVJLSA-N -1 1 386.242 2.243 20 0 GEADMM CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nn[n-]n1 ZINC000298318001 532641929 /nfs/dbraw/zinc/64/19/29/532641929.db2.gz RHPGTLFCWQGSAC-UHFFFAOYSA-N -1 1 380.861 2.282 20 0 GEADMM CC(C)OC(=O)[C@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000436672535 532642027 /nfs/dbraw/zinc/64/20/27/532642027.db2.gz ZETYJBXWGMUGIZ-SECBINFHSA-N -1 1 391.205 2.314 20 0 GEADMM CC(C)(C)OC(=O)CNC(=O)c1cc(I)ccc1[O-] ZINC000436745151 532643319 /nfs/dbraw/zinc/64/33/19/532643319.db2.gz SJBHXEOKKCOLBN-UHFFFAOYSA-N -1 1 377.178 2.068 20 0 GEADMM O=C(CNC(=O)c1ccc(Br)cc1[O-])N1Cc2ccccc2C1 ZINC000436896423 532645060 /nfs/dbraw/zinc/64/50/60/532645060.db2.gz MOXKGYAIRYYXPH-UHFFFAOYSA-N -1 1 375.222 2.427 20 0 GEADMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000599457970 532661115 /nfs/dbraw/zinc/66/11/15/532661115.db2.gz XOOMIMBCQGZALO-GWCFXTLKSA-N -1 1 379.837 2.116 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436994020 532648603 /nfs/dbraw/zinc/64/86/03/532648603.db2.gz KDXUOBYRKYGXHO-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000532288448 532649039 /nfs/dbraw/zinc/64/90/39/532649039.db2.gz HHRRYXQMVPFNRC-UHFFFAOYSA-N -1 1 379.511 2.242 20 0 GEADMM CN(C)Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000567298903 532649138 /nfs/dbraw/zinc/64/91/38/532649138.db2.gz WPRLKLPZLPAXES-UHFFFAOYSA-N -1 1 376.841 2.137 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000477354498 532649696 /nfs/dbraw/zinc/64/96/96/532649696.db2.gz WKKOFAUCSHSFSH-NSHDSACASA-N -1 1 381.841 2.480 20 0 GEADMM O=S(=O)([N-][C@@H]1COc2ccccc2[C@@H]1O)c1sccc1Br ZINC000377296139 532649829 /nfs/dbraw/zinc/64/98/29/532649829.db2.gz LPWMYRUOBICSDR-PWSUYJOCSA-N -1 1 390.280 2.284 20 0 GEADMM O=S(=O)([N-][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Cl)nc1Cl ZINC000377301900 532650684 /nfs/dbraw/zinc/65/06/84/532650684.db2.gz XMLZRNOPFGEUHZ-RNCFNFMXSA-N -1 1 375.233 2.161 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1Cl ZINC000477398906 532651121 /nfs/dbraw/zinc/65/11/21/532651121.db2.gz NZPZQYDHEXJEJC-UHFFFAOYSA-N -1 1 387.866 2.479 20 0 GEADMM O=S(=O)([N-][C@H]1COc2ccccc2[C@H]1O)c1ccc(Cl)nc1Cl ZINC000377301901 532651668 /nfs/dbraw/zinc/65/16/68/532651668.db2.gz XMLZRNOPFGEUHZ-TVQRCGJNSA-N -1 1 375.233 2.161 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ncccc1Br)C1(CO)CCC1 ZINC000656993889 532655118 /nfs/dbraw/zinc/65/51/18/532655118.db2.gz JPJAPVRIDPLNEE-LBPRGKRZSA-N -1 1 377.304 2.310 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 ZINC000263997764 532655381 /nfs/dbraw/zinc/65/53/81/532655381.db2.gz FTMKKOYCGMGMMA-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM CC[C@@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000532775805 532656117 /nfs/dbraw/zinc/65/61/17/532656117.db2.gz KCLZYGZDXZIUMF-ZDUSSCGKSA-N -1 1 388.536 2.291 20 0 GEADMM CO[C@H](C[N-]S(=O)(=O)c1ncccc1Br)Cc1ccccc1 ZINC000656999826 532657610 /nfs/dbraw/zinc/65/76/10/532657610.db2.gz UYMHPDNCDVCZDR-ZDUSSCGKSA-N -1 1 385.283 2.380 20 0 GEADMM Cc1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n[nH]1 ZINC000285343935 532673225 /nfs/dbraw/zinc/67/32/25/532673225.db2.gz GXSBNBAXJRXCRV-RXMQYKEDSA-N -1 1 379.225 2.158 20 0 GEADMM COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000378125698 532680112 /nfs/dbraw/zinc/68/01/12/532680112.db2.gz JWEVOHRDGXBWNU-MRVPVSSYSA-N -1 1 375.353 2.225 20 0 GEADMM COCCOc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1OC ZINC000298854135 532680484 /nfs/dbraw/zinc/68/04/84/532680484.db2.gz MGKCCEYZBIVRDI-UHFFFAOYSA-N -1 1 387.435 2.281 20 0 GEADMM O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)C(=O)c1ccc([O-])cc1 ZINC000438919396 532680495 /nfs/dbraw/zinc/68/04/95/532680495.db2.gz NDMGSGUGNFQEGS-LBPRGKRZSA-N -1 1 384.215 2.438 20 0 GEADMM CCOC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000569295927 532694824 /nfs/dbraw/zinc/69/48/24/532694824.db2.gz DRLHAAOZNMJPPC-ZDUSSCGKSA-N -1 1 397.324 2.449 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cc(Br)ccc32)o1 ZINC000299102062 532695699 /nfs/dbraw/zinc/69/56/99/532695699.db2.gz OGIVEZQBVRPXJR-GFCCVEGCSA-N -1 1 399.266 2.368 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)F)ccc1Br ZINC000298967929 532687370 /nfs/dbraw/zinc/68/73/70/532687370.db2.gz FFFXJJFLTVJCTA-UHFFFAOYSA-N -1 1 376.150 2.076 20 0 GEADMM Cc1cc(CNCc2cc(C(=O)[O-])nn2C)ccc1I ZINC000602068457 532688267 /nfs/dbraw/zinc/68/82/67/532688267.db2.gz WHHBGXOREZTBSP-UHFFFAOYSA-N -1 1 385.205 2.321 20 0 GEADMM Cc1cc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)c(C)s1 ZINC000439276425 532688423 /nfs/dbraw/zinc/68/84/23/532688423.db2.gz RWSUTUTXZQMOQY-UHFFFAOYSA-N -1 1 385.477 2.316 20 0 GEADMM CC(C)CSCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000535898497 532688767 /nfs/dbraw/zinc/68/87/67/532688767.db2.gz SQOWGVAFPOJHPD-UHFFFAOYSA-N -1 1 398.547 2.255 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)OC ZINC000387108139 532704400 /nfs/dbraw/zinc/70/44/00/532704400.db2.gz LIUODTAOAQRSDV-UFBFGSQYSA-N -1 1 391.205 2.314 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cnc(C2CC2)s1 ZINC000537782149 532709841 /nfs/dbraw/zinc/70/98/41/532709841.db2.gz SVXPZYAURFXGNM-UHFFFAOYSA-N -1 1 379.463 2.419 20 0 GEADMM Cc1cc([N-]S(=O)(=O)N2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000538495897 532712462 /nfs/dbraw/zinc/71/24/62/532712462.db2.gz IQNKIBRAWFYQTD-UHFFFAOYSA-N -1 1 391.280 2.476 20 0 GEADMM CC1(C)CCC(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000408238894 532714078 /nfs/dbraw/zinc/71/40/78/532714078.db2.gz YXRWDSQHSGELNW-UHFFFAOYSA-N -1 1 378.491 2.444 20 0 GEADMM COc1ccc(NC(=O)NCc2sc(C)nc2C)cc1[N-]S(C)(=O)=O ZINC000266796913 532724197 /nfs/dbraw/zinc/72/41/97/532724197.db2.gz NKXXPAGLJBUORG-UHFFFAOYSA-N -1 1 384.483 2.462 20 0 GEADMM C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000539152298 532725464 /nfs/dbraw/zinc/72/54/64/532725464.db2.gz XZVGLUPYIGTOJS-VIFPVBQESA-N -1 1 385.442 2.016 20 0 GEADMM NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000442322810 532730615 /nfs/dbraw/zinc/73/06/15/532730615.db2.gz JVWLOGIPYYTHPJ-UHFFFAOYSA-N -1 1 397.250 2.284 20 0 GEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2nc3ccccc3s2)[C@H]1n1cccn1 ZINC000579706274 532743538 /nfs/dbraw/zinc/74/35/38/532743538.db2.gz XBKPYRSNHFTLDA-GZBFAFLISA-N -1 1 378.479 2.190 20 0 GEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)C[C@H](C)OC)c1ccc(Cl)c(Cl)c1 ZINC000443210739 532741629 /nfs/dbraw/zinc/74/16/29/532741629.db2.gz BTXPZGULZBTJBS-XPTSAGLGSA-N -1 1 384.281 2.336 20 0 GEADMM O=S(=O)([N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1cccc(F)c1F ZINC000443215090 532741673 /nfs/dbraw/zinc/74/16/73/532741673.db2.gz WLPOEWXNWOJCCY-WFASDCNBSA-N -1 1 377.359 2.480 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)c(C)c1 ZINC000268259689 532759223 /nfs/dbraw/zinc/75/92/23/532759223.db2.gz KHMGVLBVVFDDQB-UHFFFAOYSA-N -1 1 387.454 2.488 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CSC)c(F)c1 ZINC000451220844 532761796 /nfs/dbraw/zinc/76/17/96/532761796.db2.gz WSRVCUKNFWFWLL-SNVBAGLBSA-N -1 1 384.520 2.007 20 0 GEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1Cl ZINC000541164647 532748762 /nfs/dbraw/zinc/74/87/62/532748762.db2.gz JUMGMQBVDVBJCL-UHFFFAOYSA-N -1 1 377.813 2.319 20 0 GEADMM Cc1cnn(C)c1S(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000286512093 532751941 /nfs/dbraw/zinc/75/19/41/532751941.db2.gz RWGQZLBGGGHPFA-ZDUSSCGKSA-N -1 1 381.845 2.141 20 0 GEADMM O=S(=O)([N-]C[C@H](O)COc1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000581026388 532753399 /nfs/dbraw/zinc/75/33/99/532753399.db2.gz ANVUPCGLGSGDRJ-LBPRGKRZSA-N -1 1 377.796 2.336 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)c(Br)n1C ZINC000287002092 532778055 /nfs/dbraw/zinc/77/80/55/532778055.db2.gz UDCVIIBFRWQCNI-NEPJUHHUSA-N -1 1 388.262 2.465 20 0 GEADMM C[C@H]1[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000287008229 532779335 /nfs/dbraw/zinc/77/93/35/532779335.db2.gz FNRACLGVZNZHSV-WFASDCNBSA-N -1 1 380.491 2.388 20 0 GEADMM COCc1nnc(S(=O)(=O)Cc2csc(-c3ccc(OC)cc3)n2)[n-]1 ZINC000268473173 532764634 /nfs/dbraw/zinc/76/46/34/532764634.db2.gz IVGNCMRJCMMQOI-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM COCc1nc(S(=O)(=O)Cc2csc(-c3ccc(OC)cc3)n2)n[n-]1 ZINC000268473173 532764638 /nfs/dbraw/zinc/76/46/38/532764638.db2.gz IVGNCMRJCMMQOI-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2CF)c(F)c1 ZINC000451587426 532765888 /nfs/dbraw/zinc/76/58/88/532765888.db2.gz FSCKHDZKFNOCKW-GFCCVEGCSA-N -1 1 382.454 2.100 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)c(F)c1 ZINC000509377292 532766924 /nfs/dbraw/zinc/76/69/24/532766924.db2.gz FRGMPTLHVRNYMX-UHFFFAOYSA-N -1 1 388.417 2.088 20 0 GEADMM COCc1nnc(S(=O)(=O)Cc2cc(Br)ccc2Cl)[n-]1 ZINC000268505041 532767415 /nfs/dbraw/zinc/76/74/15/532767415.db2.gz UIBVMHMQMYVQSW-UHFFFAOYSA-N -1 1 380.651 2.341 20 0 GEADMM COCc1nc(S(=O)(=O)Cc2cc(Br)ccc2Cl)n[n-]1 ZINC000268505041 532767420 /nfs/dbraw/zinc/76/74/20/532767420.db2.gz UIBVMHMQMYVQSW-UHFFFAOYSA-N -1 1 380.651 2.341 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](F)C2)c(F)c1 ZINC000584534577 532769000 /nfs/dbraw/zinc/76/90/00/532769000.db2.gz WQDBZUVKYJNPMW-LLVKDONJSA-N -1 1 382.454 2.100 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCOCC(F)F ZINC000510013434 532771902 /nfs/dbraw/zinc/77/19/02/532771902.db2.gz JSTNXJQGMDVSFK-UHFFFAOYSA-N -1 1 392.207 2.340 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2csc(Br)c2)c1 ZINC000513793176 532779790 /nfs/dbraw/zinc/77/97/90/532779790.db2.gz SWDXTMSAARWOTR-UHFFFAOYSA-N -1 1 380.241 2.369 20 0 GEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000268992030 532774497 /nfs/dbraw/zinc/77/44/97/532774497.db2.gz VALPLTWAUNXTMA-UHFFFAOYSA-N -1 1 385.463 2.049 20 0 GEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Br)o1 ZINC000544720055 532782972 /nfs/dbraw/zinc/78/29/72/532782972.db2.gz IXTWPVGJQRCHNR-NSHDSACASA-N -1 1 392.246 2.311 20 0 GEADMM NS(=O)(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000317578405 532784366 /nfs/dbraw/zinc/78/43/66/532784366.db2.gz FGRPPQOKJPUNMR-UHFFFAOYSA-N -1 1 386.227 2.022 20 0 GEADMM O=C([O-])[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1c(F)cccc1F ZINC000547610428 532787550 /nfs/dbraw/zinc/78/75/50/532787550.db2.gz QCQFHQIGJAZFTF-GFCCVEGCSA-N -1 1 381.278 2.486 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(OC)cc2C(=O)[O-])cs1 ZINC000547611712 532787754 /nfs/dbraw/zinc/78/77/54/532787754.db2.gz CFOPLTFCNHAVQZ-UHFFFAOYSA-N -1 1 385.419 2.351 20 0 GEADMM CC(C)O[C@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000412411556 532790802 /nfs/dbraw/zinc/79/08/02/532790802.db2.gz BTUDVJYPPHRGHI-PHIMTYICSA-N -1 1 395.308 2.344 20 0 GEADMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000542840927 532781204 /nfs/dbraw/zinc/78/12/04/532781204.db2.gz IVXRNOVVTXGMOI-UHFFFAOYSA-N -1 1 386.788 2.385 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnc(C3CC3)s2)o1 ZINC000412882756 532803527 /nfs/dbraw/zinc/80/35/27/532803527.db2.gz MLVHTGLNSMUYHW-UHFFFAOYSA-N -1 1 384.483 2.015 20 0 GEADMM CO[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1 ZINC000288017072 532814989 /nfs/dbraw/zinc/81/49/89/532814989.db2.gz HEERLYOBINLMMM-LBPRGKRZSA-N -1 1 388.287 2.157 20 0 GEADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000272264803 532814037 /nfs/dbraw/zinc/81/40/37/532814037.db2.gz VTAZLAGZYNPENP-NXEZZACHSA-N -1 1 380.297 2.314 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c(Br)o1 ZINC000272478613 532816009 /nfs/dbraw/zinc/81/60/09/532816009.db2.gz YIYFYAPJANDQLV-VIFPVBQESA-N -1 1 396.259 2.066 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCCCOC(C)C)c(Br)o1 ZINC000272882490 532819288 /nfs/dbraw/zinc/81/92/88/532819288.db2.gz VSUVTZZFVYKDEN-UHFFFAOYSA-N -1 1 398.275 2.312 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(OC)c1 ZINC000330515144 532820635 /nfs/dbraw/zinc/82/06/35/532820635.db2.gz DIASRRXKNRKAON-BETUJISGSA-N -1 1 390.527 2.123 20 0 GEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)CC1 ZINC000414367480 532822102 /nfs/dbraw/zinc/82/21/02/532822102.db2.gz FEYORSZQGLEHBL-UHFFFAOYSA-N -1 1 384.845 2.148 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000414389742 532823831 /nfs/dbraw/zinc/82/38/31/532823831.db2.gz SNOVEIAFPINQRW-UHFFFAOYSA-N -1 1 384.479 2.496 20 0 GEADMM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000330799320 532827034 /nfs/dbraw/zinc/82/70/34/532827034.db2.gz BTQWCVORSIFQDR-QWRGUYRKSA-N -1 1 395.319 2.208 20 0 GEADMM O=C([O-])[C@@H]1CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000414608293 532833527 /nfs/dbraw/zinc/83/35/27/532833527.db2.gz JMNKEHSLWLBFIN-SECBINFHSA-N -1 1 381.230 2.332 20 0 GEADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc(I)ccc1[O-] ZINC000288645960 532833893 /nfs/dbraw/zinc/83/38/93/532833893.db2.gz ZMNBRGOKVKNOJI-UBSPAHDZSA-N -1 1 399.228 2.492 20 0 GEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2csc(Br)c2)C1=O ZINC000414652625 532833937 /nfs/dbraw/zinc/83/39/37/532833937.db2.gz HHWFNTLMEOFLFL-PWSUYJOCSA-N -1 1 375.288 2.310 20 0 GEADMM O=S(=O)(CCCCF)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000288708911 532835795 /nfs/dbraw/zinc/83/57/95/532835795.db2.gz YWGASPMSWYIQTI-UHFFFAOYSA-N -1 1 387.458 2.374 20 0 GEADMM CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000332223927 532849971 /nfs/dbraw/zinc/84/99/71/532849971.db2.gz LJJAVPWLLIQAKL-LLVKDONJSA-N -1 1 376.272 2.194 20 0 GEADMM CCOC(=O)c1cnc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[n-]1 ZINC000415639424 532851770 /nfs/dbraw/zinc/85/17/70/532851770.db2.gz QDMXDCXIZWFJKW-UHFFFAOYSA-N -1 1 385.829 2.042 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000415639424 532851772 /nfs/dbraw/zinc/85/17/72/532851772.db2.gz QDMXDCXIZWFJKW-UHFFFAOYSA-N -1 1 385.829 2.042 20 0 GEADMM O=C(NCc1nnc2n1CCC2)c1c([O-])cnc2c(Br)cccc21 ZINC000289433828 532854786 /nfs/dbraw/zinc/85/47/86/532854786.db2.gz SHVHOBIFSLDVLH-UHFFFAOYSA-N -1 1 388.225 2.171 20 0 GEADMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)Cc2c(F)cccc2F)no1 ZINC000289560185 532858705 /nfs/dbraw/zinc/85/87/05/532858705.db2.gz OXBFNRHSUPUEBK-SNVBAGLBSA-N -1 1 375.397 2.453 20 0 GEADMM CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000289562571 532859433 /nfs/dbraw/zinc/85/94/33/532859433.db2.gz PRTUAEREHHZAOM-VIFPVBQESA-N -1 1 375.397 2.014 20 0 GEADMM C[C@]1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCOC1=O ZINC000289563377 532859347 /nfs/dbraw/zinc/85/93/47/532859347.db2.gz NWVUQUNFNZTAKS-NSHDSACASA-N -1 1 386.626 2.226 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000275058709 532862618 /nfs/dbraw/zinc/86/26/18/532862618.db2.gz YODKFHSKKMZVAG-LBPRGKRZSA-N -1 1 381.281 2.211 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000416147332 532865011 /nfs/dbraw/zinc/86/50/11/532865011.db2.gz XDTRDZVCXIPCLP-MRVPVSSYSA-N -1 1 382.214 2.020 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000416150040 532865540 /nfs/dbraw/zinc/86/55/40/532865540.db2.gz YXVFRJFHRJFSCJ-UHFFFAOYSA-N -1 1 396.241 2.410 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000416176234 532865908 /nfs/dbraw/zinc/86/59/08/532865908.db2.gz ATANYRPCPZVMIV-UHFFFAOYSA-N -1 1 388.207 2.150 20 0 GEADMM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416213932 532867601 /nfs/dbraw/zinc/86/76/01/532867601.db2.gz JKOJYAMUADFSTO-SSDOTTSWSA-N -1 1 398.213 2.159 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ncn(C)n1 ZINC000275598492 532879558 /nfs/dbraw/zinc/87/95/58/532879558.db2.gz FPJQWYGHAOHAJR-LURJTMIESA-N -1 1 397.657 2.410 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C(C)(C)C)n1 ZINC000349522327 532882453 /nfs/dbraw/zinc/88/24/53/532882453.db2.gz MUWZROLASPXGPM-CQSZACIVSA-N -1 1 391.559 2.218 20 0 GEADMM CC[C@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1 ZINC000349561027 532883028 /nfs/dbraw/zinc/88/30/28/532883028.db2.gz ZLQKCAKUURDUQO-GJZGRUSLSA-N -1 1 389.543 2.020 20 0 GEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cn1 ZINC000276002360 532887193 /nfs/dbraw/zinc/88/71/93/532887193.db2.gz HXCXLCWXIPPBJB-UHFFFAOYSA-N -1 1 396.213 2.371 20 0 GEADMM CNC(=O)c1ccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)cc1Cl ZINC000290697501 532887283 /nfs/dbraw/zinc/88/72/83/532887283.db2.gz RTZVUNIMUWMSMO-UHFFFAOYSA-N -1 1 388.873 2.175 20 0 GEADMM COCCn1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cn1 ZINC000276316061 532893168 /nfs/dbraw/zinc/89/31/68/532893168.db2.gz NTXJIUPHXYUKJW-UHFFFAOYSA-N -1 1 396.213 2.371 20 0 GEADMM O=S(=O)(CCOCC1CC1)[N-]c1ccc(OCCO)cc1C(F)(F)F ZINC000424058762 532895175 /nfs/dbraw/zinc/89/51/75/532895175.db2.gz ALAQKIOHPQBPOS-UHFFFAOYSA-N -1 1 383.388 2.245 20 0 GEADMM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cnn(CC)c2)cc1 ZINC000277009935 532905934 /nfs/dbraw/zinc/90/59/34/532905934.db2.gz ICOZZYHMFDFSOC-UHFFFAOYSA-N -1 1 387.483 2.213 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)CCCCC1 ZINC000291878804 532910006 /nfs/dbraw/zinc/91/00/06/532910006.db2.gz IFWOFJXZEDNPTH-UHFFFAOYSA-N -1 1 388.873 2.304 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)CCCCC1 ZINC000291971032 532911551 /nfs/dbraw/zinc/91/15/51/532911551.db2.gz SXNQYEGGDKZDDW-UHFFFAOYSA-N -1 1 383.392 2.311 20 0 GEADMM O=C(N1CCC[C@@H](c2nn[n-]n2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000366642991 532919741 /nfs/dbraw/zinc/91/97/41/532919741.db2.gz PMPKDIDMRZZCJX-LLVKDONJSA-N -1 1 376.258 2.400 20 0 GEADMM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1cnn(CC(F)F)c1 ZINC000292914219 532920134 /nfs/dbraw/zinc/92/01/34/532920134.db2.gz XIQZCRRQGVUTET-MRVPVSSYSA-N -1 1 376.332 2.187 20 0 GEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1cc(F)cc(Cl)c1 ZINC000366742498 532920749 /nfs/dbraw/zinc/92/07/49/532920749.db2.gz ZOLFWQBJDYFORW-CYBMUJFWSA-N -1 1 375.830 2.286 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)c(C(F)(F)F)n1 ZINC000293672967 532930131 /nfs/dbraw/zinc/93/01/31/532930131.db2.gz ZPAKDTXLIVVUSH-UHFFFAOYSA-N -1 1 383.421 2.066 20 0 GEADMM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293640635 532929537 /nfs/dbraw/zinc/92/95/37/532929537.db2.gz XNHQVDVIRZVJEB-NSHDSACASA-N -1 1 377.388 2.493 20 0 GEADMM O=C(CCOCC(F)(F)F)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368504494 532932873 /nfs/dbraw/zinc/93/28/73/532932873.db2.gz VRJRRTIPJHAUEE-LLVKDONJSA-N -1 1 381.717 2.167 20 0 GEADMM CN(CCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000294155802 532936186 /nfs/dbraw/zinc/93/61/86/532936186.db2.gz REPLKHCLAHJYGG-UHFFFAOYSA-N -1 1 376.404 2.244 20 0 GEADMM O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370329471 532942869 /nfs/dbraw/zinc/94/28/69/532942869.db2.gz FGTPIBNASBAWMY-VIFPVBQESA-N -1 1 376.269 2.491 20 0 GEADMM CNC(=O)C1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCC1 ZINC000736870310 598846889 /nfs/dbraw/zinc/84/68/89/598846889.db2.gz HLYCDQLLCHGGKB-UHFFFAOYSA-N -1 1 396.476 2.128 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@H]2CCCC[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551114 598848445 /nfs/dbraw/zinc/84/84/45/598848445.db2.gz FTSABOTWGABBLW-MFKMUULPSA-N -1 1 391.428 2.154 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOc2ccccc2C1 ZINC000738352972 598874488 /nfs/dbraw/zinc/87/44/88/598874488.db2.gz AHGDIRWVRBDHRH-UHFFFAOYSA-N -1 1 391.840 2.103 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOc2ccccc2C1 ZINC000738352972 598874489 /nfs/dbraw/zinc/87/44/89/598874489.db2.gz AHGDIRWVRBDHRH-UHFFFAOYSA-N -1 1 391.840 2.103 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1c1ccncc1 ZINC000738355908 598875318 /nfs/dbraw/zinc/87/53/18/598875318.db2.gz UZKJVMKPTBSULQ-CYBMUJFWSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1c1ccncc1 ZINC000738355908 598875319 /nfs/dbraw/zinc/87/53/19/598875319.db2.gz UZKJVMKPTBSULQ-CYBMUJFWSA-N -1 1 390.856 2.441 20 0 GEADMM CCN(CC)S(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736531104 598877121 /nfs/dbraw/zinc/87/71/21/598877121.db2.gz CLBTZTJGKRIZMX-UHFFFAOYSA-N -1 1 392.510 2.271 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC000737626829 598914983 /nfs/dbraw/zinc/91/49/83/598914983.db2.gz MCQKDHKKSKDEBS-JTQLQIEISA-N -1 1 392.345 2.246 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC000737626829 598914985 /nfs/dbraw/zinc/91/49/85/598914985.db2.gz MCQKDHKKSKDEBS-JTQLQIEISA-N -1 1 392.345 2.246 20 0 GEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1C ZINC000735489113 598929940 /nfs/dbraw/zinc/92/99/40/598929940.db2.gz WKZQWIYELXSUOU-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM COc1ccccc1OCCN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737151533 598936850 /nfs/dbraw/zinc/93/68/50/598936850.db2.gz GAYKMUHCKQCIIL-UHFFFAOYSA-N -1 1 377.408 2.334 20 0 GEADMM COc1ccccc1OCCN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737151533 598936852 /nfs/dbraw/zinc/93/68/52/598936852.db2.gz GAYKMUHCKQCIIL-UHFFFAOYSA-N -1 1 377.408 2.334 20 0 GEADMM O=C(NC1(c2cccc(Br)c2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738010804 598943544 /nfs/dbraw/zinc/94/35/44/598943544.db2.gz JPMWEZRLOZUXPR-UHFFFAOYSA-N -1 1 385.225 2.443 20 0 GEADMM O=C(NC1(c2cccc(Br)c2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738010804 598943545 /nfs/dbraw/zinc/94/35/45/598943545.db2.gz JPMWEZRLOZUXPR-UHFFFAOYSA-N -1 1 385.225 2.443 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000737224819 598947290 /nfs/dbraw/zinc/94/72/90/598947290.db2.gz HJMIGWHJOLNZDN-UHFFFAOYSA-N -1 1 395.448 2.221 20 0 GEADMM CCN(Cc1ccccc1)C(=O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736557883 598961382 /nfs/dbraw/zinc/96/13/82/598961382.db2.gz DAFGDYYXKZOLII-UHFFFAOYSA-N -1 1 388.435 2.271 20 0 GEADMM CCN(Cc1ccccc1)C(=O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736557883 598961384 /nfs/dbraw/zinc/96/13/84/598961384.db2.gz DAFGDYYXKZOLII-UHFFFAOYSA-N -1 1 388.435 2.271 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cccc1-c1nn[nH]n1 ZINC000822128609 607255439 /nfs/dbraw/zinc/25/54/39/607255439.db2.gz DRQWCXDOZWOXKA-UHFFFAOYSA-N -1 1 398.448 2.103 20 0 GEADMM CCn1cc(C2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cn1 ZINC000736722128 598963846 /nfs/dbraw/zinc/96/38/46/598963846.db2.gz OYMPULJVHLILGL-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM CCn1cc(C2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cn1 ZINC000736722128 598963847 /nfs/dbraw/zinc/96/38/47/598963847.db2.gz OYMPULJVHLILGL-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM CN(C(=O)C(C)(C)C)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736731804 598981991 /nfs/dbraw/zinc/98/19/91/598981991.db2.gz JHXYXAPERANKSQ-UHFFFAOYSA-N -1 1 380.408 2.490 20 0 GEADMM CN(C(=O)C(C)(C)C)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736731804 598981993 /nfs/dbraw/zinc/98/19/93/598981993.db2.gz JHXYXAPERANKSQ-UHFFFAOYSA-N -1 1 380.408 2.490 20 0 GEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(F)(F)F)c1 ZINC000735487856 598985846 /nfs/dbraw/zinc/98/58/46/598985846.db2.gz CRNUJSIGANHLJR-UHFFFAOYSA-N -1 1 391.313 2.491 20 0 GEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(F)(F)F)c1 ZINC000735487856 598985848 /nfs/dbraw/zinc/98/58/48/598985848.db2.gz CRNUJSIGANHLJR-UHFFFAOYSA-N -1 1 391.313 2.491 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OCC(F)(F)F ZINC000737104457 598991297 /nfs/dbraw/zinc/99/12/97/598991297.db2.gz POBRMUCEJFCJIT-UHFFFAOYSA-N -1 1 394.313 2.464 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OCC(F)(F)F ZINC000737104457 598991299 /nfs/dbraw/zinc/99/12/99/598991299.db2.gz POBRMUCEJFCJIT-UHFFFAOYSA-N -1 1 394.313 2.464 20 0 GEADMM Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737382186 598991340 /nfs/dbraw/zinc/99/13/40/598991340.db2.gz RVWPBQMIJOWMEE-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737382186 598991342 /nfs/dbraw/zinc/99/13/42/598991342.db2.gz RVWPBQMIJOWMEE-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1N1CCCCC1=O ZINC000737102769 598992652 /nfs/dbraw/zinc/99/26/52/598992652.db2.gz CSHJCVHXCQFZNJ-UHFFFAOYSA-N -1 1 393.407 2.040 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1N1CCCCC1=O ZINC000737102769 598992653 /nfs/dbraw/zinc/99/26/53/598992653.db2.gz CSHJCVHXCQFZNJ-UHFFFAOYSA-N -1 1 393.407 2.040 20 0 GEADMM CCCCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000736462493 598992858 /nfs/dbraw/zinc/99/28/58/598992858.db2.gz CVFZPGIGOXGRPS-UHFFFAOYSA-N -1 1 382.424 2.379 20 0 GEADMM CCCCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000736462493 598992860 /nfs/dbraw/zinc/99/28/60/598992860.db2.gz CVFZPGIGOXGRPS-UHFFFAOYSA-N -1 1 382.424 2.379 20 0 GEADMM CCOc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC(F)F ZINC000736626206 598993841 /nfs/dbraw/zinc/99/38/41/598993841.db2.gz QBRSQDZITUSIFW-UHFFFAOYSA-N -1 1 390.350 2.192 20 0 GEADMM CCOc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC(F)F ZINC000736626206 598993843 /nfs/dbraw/zinc/99/38/43/598993843.db2.gz QBRSQDZITUSIFW-UHFFFAOYSA-N -1 1 390.350 2.192 20 0 GEADMM O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738086384 598994788 /nfs/dbraw/zinc/99/47/88/598994788.db2.gz XGLMHMZLVQLMMN-UHFFFAOYSA-N -1 1 378.314 2.089 20 0 GEADMM O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738086384 598994790 /nfs/dbraw/zinc/99/47/90/598994790.db2.gz XGLMHMZLVQLMMN-UHFFFAOYSA-N -1 1 378.314 2.089 20 0 GEADMM O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738163304 598994896 /nfs/dbraw/zinc/99/48/96/598994896.db2.gz LMQUAUSYEMPWES-UHFFFAOYSA-N -1 1 383.799 2.060 20 0 GEADMM O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738163304 598994898 /nfs/dbraw/zinc/99/48/98/598994898.db2.gz LMQUAUSYEMPWES-UHFFFAOYSA-N -1 1 383.799 2.060 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000738259196 598995429 /nfs/dbraw/zinc/99/54/29/598995429.db2.gz NHFVYBBQEKROAN-UHFFFAOYSA-N -1 1 386.362 2.224 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000738259196 598995430 /nfs/dbraw/zinc/99/54/30/598995430.db2.gz NHFVYBBQEKROAN-UHFFFAOYSA-N -1 1 386.362 2.224 20 0 GEADMM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737132477 598997849 /nfs/dbraw/zinc/99/78/49/598997849.db2.gz ZBJLNUBNMVMYQP-KRWDZBQOSA-N -1 1 394.435 2.092 20 0 GEADMM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737132477 598997851 /nfs/dbraw/zinc/99/78/51/598997851.db2.gz ZBJLNUBNMVMYQP-KRWDZBQOSA-N -1 1 394.435 2.092 20 0 GEADMM O=C(N[C@H]1CCc2cc(Br)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037898 598997909 /nfs/dbraw/zinc/99/79/09/598997909.db2.gz XGVUBIMRHKVHEQ-ZDUSSCGKSA-N -1 1 385.225 2.442 20 0 GEADMM O=C(N[C@H]1CCc2cc(Br)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037898 598997910 /nfs/dbraw/zinc/99/79/10/598997910.db2.gz XGVUBIMRHKVHEQ-ZDUSSCGKSA-N -1 1 385.225 2.442 20 0 GEADMM COC(=O)CCSCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736919246 599003507 /nfs/dbraw/zinc/00/35/07/599003507.db2.gz NOSUELWLUMYZGZ-UHFFFAOYSA-N -1 1 398.448 2.310 20 0 GEADMM COC(=O)CCSCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736919246 599003509 /nfs/dbraw/zinc/00/35/09/599003509.db2.gz NOSUELWLUMYZGZ-UHFFFAOYSA-N -1 1 398.448 2.310 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CC2(O)CCCC2)c1-c1nn[n-]n1 ZINC000737503329 599017346 /nfs/dbraw/zinc/01/73/46/599017346.db2.gz HPCRUHUKCCHPOK-UHFFFAOYSA-N -1 1 382.424 2.099 20 0 GEADMM Cn1c(CNc2c3ccccc3nnc2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC000737589362 599044766 /nfs/dbraw/zinc/04/47/66/599044766.db2.gz CXFRMKSELXJYOZ-UHFFFAOYSA-N -1 1 375.371 2.448 20 0 GEADMM Cn1c(CNc2c3ccccc3nnc2-c2nn[n-]n2)nc2cc(F)ccc21 ZINC000737589362 599044769 /nfs/dbraw/zinc/04/47/69/599044769.db2.gz CXFRMKSELXJYOZ-UHFFFAOYSA-N -1 1 375.371 2.448 20 0 GEADMM CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccncc1 ZINC000736358986 599077518 /nfs/dbraw/zinc/07/75/18/599077518.db2.gz YHGJDQBNWWYXGD-OAHLLOKOSA-N -1 1 381.440 2.179 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H](C)[C@H]1C ZINC000737486317 599083126 /nfs/dbraw/zinc/08/31/26/599083126.db2.gz DCXDKMKTMQUIIH-WCQYABFASA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H](C)[C@H]1C ZINC000737486317 599083129 /nfs/dbraw/zinc/08/31/29/599083129.db2.gz DCXDKMKTMQUIIH-WCQYABFASA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000737488491 599087787 /nfs/dbraw/zinc/08/77/87/599087787.db2.gz WECRTDYNRDVJMV-OLZOCXBDSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000737488491 599087790 /nfs/dbraw/zinc/08/77/90/599087790.db2.gz WECRTDYNRDVJMV-OLZOCXBDSA-N -1 1 396.499 2.496 20 0 GEADMM CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736417456 599138864 /nfs/dbraw/zinc/13/88/64/599138864.db2.gz SLFFDBWIKIXVLL-UHFFFAOYSA-N -1 1 394.391 2.040 20 0 GEADMM CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736417456 599138866 /nfs/dbraw/zinc/13/88/66/599138866.db2.gz SLFFDBWIKIXVLL-UHFFFAOYSA-N -1 1 394.391 2.040 20 0 GEADMM Cc1sc2nc(C)nc(N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c2c1C ZINC000822449815 599142827 /nfs/dbraw/zinc/14/28/27/599142827.db2.gz QCTYHCWTCSQPGC-UHFFFAOYSA-N -1 1 398.500 2.171 20 0 GEADMM Cc1sc2nc(C)nc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c2c1C ZINC000822449815 599142828 /nfs/dbraw/zinc/14/28/28/599142828.db2.gz QCTYHCWTCSQPGC-UHFFFAOYSA-N -1 1 398.500 2.171 20 0 GEADMM CCCCn1c2nc(-c3ccc(-c4nnn[n-]4)o3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000821083348 599153271 /nfs/dbraw/zinc/15/32/71/599153271.db2.gz YJZBPBVLAKJCGA-UHFFFAOYSA-N -1 1 398.427 2.195 20 0 GEADMM CCCCn1c2nc(-c3ccc(-c4nn[n-]n4)o3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000821083348 599153274 /nfs/dbraw/zinc/15/32/74/599153274.db2.gz YJZBPBVLAKJCGA-UHFFFAOYSA-N -1 1 398.427 2.195 20 0 GEADMM CCCCn1c(-c2ccc(-c3nn[n-]n3)o2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000821083451 599153713 /nfs/dbraw/zinc/15/37/13/599153713.db2.gz ZEWSPZYEQPKUNK-UHFFFAOYSA-N -1 1 398.427 2.339 20 0 GEADMM CC(C)(C)c1nc(-c2nn[n-]n2)c(NNC(=S)NC(C2CC2)C2CC2)o1 ZINC000735655669 599157933 /nfs/dbraw/zinc/15/79/33/599157933.db2.gz BXVACORMUAZGGV-UHFFFAOYSA-N -1 1 376.490 2.132 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C2CC2)nn1 ZINC000737546649 599163187 /nfs/dbraw/zinc/16/31/87/599163187.db2.gz DUQPAFALGOIJCR-UHFFFAOYSA-N -1 1 376.380 2.479 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(C2CC2)nn1 ZINC000737546649 599163189 /nfs/dbraw/zinc/16/31/89/599163189.db2.gz DUQPAFALGOIJCR-UHFFFAOYSA-N -1 1 376.380 2.479 20 0 GEADMM O=C(Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1)c1ccccc1 ZINC000738175306 599223641 /nfs/dbraw/zinc/22/36/41/599223641.db2.gz XBQDNQXVLPYKQG-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM O=C(Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1)c1ccccc1 ZINC000738175306 599223643 /nfs/dbraw/zinc/22/36/43/599223643.db2.gz XBQDNQXVLPYKQG-UHFFFAOYSA-N -1 1 386.375 2.161 20 0 GEADMM COc1ccc(Cl)c(NC(=S)NNc2oc(C)nc2-c2nn[n-]n2)c1 ZINC000821824187 599226269 /nfs/dbraw/zinc/22/62/69/599226269.db2.gz KEQOBBKRKFOHNN-UHFFFAOYSA-N -1 1 380.821 2.139 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)CN2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC000262662186 596918031 /nfs/dbraw/zinc/91/80/31/596918031.db2.gz ODGLWMMIIKLFAB-QGZVFWFLSA-N -1 1 376.453 2.164 20 0 GEADMM O=C([O-])C[C@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000676232413 597069547 /nfs/dbraw/zinc/06/95/47/597069547.db2.gz BBNBRPOUMQVNAG-OAHLLOKOSA-N -1 1 385.464 2.471 20 0 GEADMM CN1CCN(c2ccc(NC(=O)CSCC(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000739736376 597088881 /nfs/dbraw/zinc/08/88/81/597088881.db2.gz LUGHFCKIVQPKAU-UHFFFAOYSA-N -1 1 391.415 2.214 20 0 GEADMM O=C([O-])CSCC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571921070 597101621 /nfs/dbraw/zinc/10/16/21/597101621.db2.gz YNGIADBYZGXFEP-CYBMUJFWSA-N -1 1 376.400 2.214 20 0 GEADMM CCC1(O)CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)CC1 ZINC000736398086 599250915 /nfs/dbraw/zinc/25/09/15/599250915.db2.gz YLEOINVGNYXPQB-UHFFFAOYSA-N -1 1 388.497 2.238 20 0 GEADMM CC(=O)NCCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@H](C)C(=O)[O-] ZINC000819753109 597695097 /nfs/dbraw/zinc/69/50/97/597695097.db2.gz ORUDRKZMRXGKSL-SNVBAGLBSA-N -1 1 378.812 2.250 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000823294741 607320480 /nfs/dbraw/zinc/32/04/80/607320480.db2.gz PNIHEAUWKZBMQF-OAHLLOKOSA-N -1 1 397.416 2.232 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)Nc2ccccc2C(=O)[O-])c2ccccc2)CC1 ZINC000820625849 598178265 /nfs/dbraw/zinc/17/82/65/598178265.db2.gz ABPPLSVZJHTBCG-LJQANCHMSA-N -1 1 382.464 2.495 20 0 GEADMM CC(C)[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000820041700 598189736 /nfs/dbraw/zinc/18/97/36/598189736.db2.gz NDUULMYLYVFQHP-DNVCBOLYSA-N -1 1 376.453 2.210 20 0 GEADMM N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(C(=O)[O-])c2)N1)OCCCO4 ZINC000821357404 598201178 /nfs/dbraw/zinc/20/11/78/598201178.db2.gz OYCINIMOVQXPJQ-INIZCTEOSA-N -1 1 379.376 2.393 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C(C)(C)C ZINC000737488831 598234350 /nfs/dbraw/zinc/23/43/50/598234350.db2.gz YBXGUWQAKJFWGK-MRXNPFEDSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C(C)(C)C ZINC000737488831 598234351 /nfs/dbraw/zinc/23/43/51/598234351.db2.gz YBXGUWQAKJFWGK-MRXNPFEDSA-N -1 1 396.499 2.496 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3c2cccc3C)cc1-c1nn[n-]n1 ZINC000737188105 598260783 /nfs/dbraw/zinc/26/07/83/598260783.db2.gz YURGYWIZZCDYDI-CQSZACIVSA-N -1 1 382.449 2.415 20 0 GEADMM O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328566 598261112 /nfs/dbraw/zinc/26/11/12/598261112.db2.gz HWXUZNKMPQLYBX-OAHLLOKOSA-N -1 1 390.856 2.345 20 0 GEADMM O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328566 598261113 /nfs/dbraw/zinc/26/11/13/598261113.db2.gz HWXUZNKMPQLYBX-OAHLLOKOSA-N -1 1 390.856 2.345 20 0 GEADMM CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735590134 598264601 /nfs/dbraw/zinc/26/46/01/598264601.db2.gz UZOAGSTWPCVNMC-HNNXBMFYSA-N -1 1 390.444 2.467 20 0 GEADMM CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735590134 598264602 /nfs/dbraw/zinc/26/46/02/598264602.db2.gz UZOAGSTWPCVNMC-HNNXBMFYSA-N -1 1 390.444 2.467 20 0 GEADMM CC(C)(C)c1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735648433 598265095 /nfs/dbraw/zinc/26/50/95/598265095.db2.gz DWCCGTYFZDMBGO-UHFFFAOYSA-N -1 1 386.481 2.080 20 0 GEADMM CC(C)(C)c1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735648433 598265097 /nfs/dbraw/zinc/26/50/97/598265097.db2.gz DWCCGTYFZDMBGO-UHFFFAOYSA-N -1 1 386.481 2.080 20 0 GEADMM CC(C)Oc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735912723 598265243 /nfs/dbraw/zinc/26/52/43/598265243.db2.gz BQJMQQOVAVOSBI-GFCCVEGCSA-N -1 1 388.453 2.088 20 0 GEADMM CC(C)Oc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735912723 598265245 /nfs/dbraw/zinc/26/52/45/598265245.db2.gz BQJMQQOVAVOSBI-GFCCVEGCSA-N -1 1 388.453 2.088 20 0 GEADMM CCOc1ccccc1[C@@H](CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736654993 598271734 /nfs/dbraw/zinc/27/17/34/598271734.db2.gz ZPWMQZYVLGZEQZ-CQSZACIVSA-N -1 1 388.453 2.090 20 0 GEADMM CCOc1ccccc1[C@@H](CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736654993 598271736 /nfs/dbraw/zinc/27/17/36/598271736.db2.gz ZPWMQZYVLGZEQZ-CQSZACIVSA-N -1 1 388.453 2.090 20 0 GEADMM CC(C)COC[C@@H](NCc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccco1 ZINC000735838745 598275007 /nfs/dbraw/zinc/27/50/07/598275007.db2.gz UOUZZLJGEAKEIF-OAHLLOKOSA-N -1 1 382.428 2.006 20 0 GEADMM CC(C)COC[C@@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccco1 ZINC000735838745 598275008 /nfs/dbraw/zinc/27/50/08/598275008.db2.gz UOUZZLJGEAKEIF-OAHLLOKOSA-N -1 1 382.428 2.006 20 0 GEADMM C[C@H]1CN(c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cn2)CCO1 ZINC000736290122 598276369 /nfs/dbraw/zinc/27/63/69/598276369.db2.gz OJRMBVSLTQFKBI-NSHDSACASA-N -1 1 386.847 2.147 20 0 GEADMM C[C@H]1CN(c2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cn2)CCO1 ZINC000736290122 598276371 /nfs/dbraw/zinc/27/63/71/598276371.db2.gz OJRMBVSLTQFKBI-NSHDSACASA-N -1 1 386.847 2.147 20 0 GEADMM Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)n1 ZINC000737399125 598277020 /nfs/dbraw/zinc/27/70/20/598277020.db2.gz LIVNVYMISARRIS-GFCCVEGCSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)n1 ZINC000737399125 598277021 /nfs/dbraw/zinc/27/70/21/598277021.db2.gz LIVNVYMISARRIS-GFCCVEGCSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1ccn(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(=O)c1-c1nn[n-]n1 ZINC000822370421 607349525 /nfs/dbraw/zinc/34/95/25/607349525.db2.gz XLTUJNFWARXSEG-AWEZNQCLSA-N -1 1 388.431 2.367 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2ccc(F)cc2C1 ZINC000822006012 607351577 /nfs/dbraw/zinc/35/15/77/607351577.db2.gz XEYVJVNZOWOXGV-UHFFFAOYSA-N -1 1 396.426 2.241 20 0 GEADMM CSc1nnc(CCCNc2nccnc2-c2nnn[n-]2)n1C1CCCC1 ZINC000737189093 598341494 /nfs/dbraw/zinc/34/14/94/598341494.db2.gz IATYPAOCIJWVFK-UHFFFAOYSA-N -1 1 386.489 2.130 20 0 GEADMM CSc1nnc(CCCNc2nccnc2-c2nn[n-]n2)n1C1CCCC1 ZINC000737189093 598341496 /nfs/dbraw/zinc/34/14/96/598341496.db2.gz IATYPAOCIJWVFK-UHFFFAOYSA-N -1 1 386.489 2.130 20 0 GEADMM COc1ccc(C)cc1C1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC000737077679 598348197 /nfs/dbraw/zinc/34/81/97/598348197.db2.gz SJXWDXCLQRGKSD-UHFFFAOYSA-N -1 1 381.440 2.134 20 0 GEADMM COc1ccc(C)cc1C1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC000737077679 598348198 /nfs/dbraw/zinc/34/81/98/598348198.db2.gz SJXWDXCLQRGKSD-UHFFFAOYSA-N -1 1 381.440 2.134 20 0 GEADMM Fc1ccc(-c2noc([C@H]3CCCN(c4nccnc4-c4nnn[n-]4)C3)n2)cc1 ZINC000737652632 598351542 /nfs/dbraw/zinc/35/15/42/598351542.db2.gz VVALXELJJBMRCU-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1ccc(-c2noc([C@H]3CCCN(c4nccnc4-c4nn[n-]n4)C3)n2)cc1 ZINC000737652632 598351544 /nfs/dbraw/zinc/35/15/44/598351544.db2.gz VVALXELJJBMRCU-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1Cc2ccccc2C1 ZINC000737486775 598359659 /nfs/dbraw/zinc/35/96/59/598359659.db2.gz DMQFWMANEQDQOR-UHFFFAOYSA-N -1 1 388.435 2.001 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1Cc2ccccc2C1 ZINC000737486775 598359661 /nfs/dbraw/zinc/35/96/61/598359661.db2.gz DMQFWMANEQDQOR-UHFFFAOYSA-N -1 1 388.435 2.001 20 0 GEADMM CCc1nn(Cc2ccccc2Br)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706390 598377683 /nfs/dbraw/zinc/37/76/83/598377683.db2.gz KMECVPTYNNAREV-UHFFFAOYSA-N -1 1 389.257 2.359 20 0 GEADMM CCc1nn(Cc2ccc(Br)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706985 598378689 /nfs/dbraw/zinc/37/86/89/598378689.db2.gz NVRYXKAOMXJENV-UHFFFAOYSA-N -1 1 389.257 2.359 20 0 GEADMM CCCNC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736484417 598400276 /nfs/dbraw/zinc/40/02/76/598400276.db2.gz YZHRJBPRPQLPTJ-UHFFFAOYSA-N -1 1 398.398 2.054 20 0 GEADMM CCCNC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736484417 598400278 /nfs/dbraw/zinc/40/02/78/598400278.db2.gz YZHRJBPRPQLPTJ-UHFFFAOYSA-N -1 1 398.398 2.054 20 0 GEADMM Cc1noc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)n1 ZINC000737546126 598400653 /nfs/dbraw/zinc/40/06/53/598400653.db2.gz LTKBVEHJBPOOIW-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM Cc1noc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)n1 ZINC000737546126 598400654 /nfs/dbraw/zinc/40/06/54/598400654.db2.gz LTKBVEHJBPOOIW-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM COC(=O)[C@@H](C)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736893582 598401710 /nfs/dbraw/zinc/40/17/10/598401710.db2.gz RCXJUJIXGUXHNY-NSHDSACASA-N -1 1 399.382 2.337 20 0 GEADMM COC(=O)[C@@H](C)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736893582 598401712 /nfs/dbraw/zinc/40/17/12/598401712.db2.gz RCXJUJIXGUXHNY-NSHDSACASA-N -1 1 399.382 2.337 20 0 GEADMM Cn1ccnc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737616676 598402367 /nfs/dbraw/zinc/40/23/67/598402367.db2.gz VPGMKODCIGUQAZ-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM Cn1ccnc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737616676 598402368 /nfs/dbraw/zinc/40/23/68/598402368.db2.gz VPGMKODCIGUQAZ-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM CC1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCCC1 ZINC000736202590 598406874 /nfs/dbraw/zinc/40/68/74/598406874.db2.gz INPRBSHGMBAARX-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM CC1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCCC1 ZINC000736202590 598406875 /nfs/dbraw/zinc/40/68/75/598406875.db2.gz INPRBSHGMBAARX-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000736158135 598411119 /nfs/dbraw/zinc/41/11/19/598411119.db2.gz PBNJZYBHGBFRQW-NSHDSACASA-N -1 1 399.382 2.432 20 0 GEADMM C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000736158135 598411121 /nfs/dbraw/zinc/41/11/21/598411121.db2.gz PBNJZYBHGBFRQW-NSHDSACASA-N -1 1 399.382 2.432 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000735733228 598411421 /nfs/dbraw/zinc/41/14/21/598411421.db2.gz FSVMXVCIBKUIRY-INIZCTEOSA-N -1 1 399.382 2.465 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000735733228 598411422 /nfs/dbraw/zinc/41/14/22/598411422.db2.gz FSVMXVCIBKUIRY-INIZCTEOSA-N -1 1 399.382 2.465 20 0 GEADMM CC[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000736384743 598411844 /nfs/dbraw/zinc/41/18/44/598411844.db2.gz ZEEVJXLOYRUTOX-CYBMUJFWSA-N -1 1 385.355 2.219 20 0 GEADMM CC[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000736384743 598411846 /nfs/dbraw/zinc/41/18/46/598411846.db2.gz ZEEVJXLOYRUTOX-CYBMUJFWSA-N -1 1 385.355 2.219 20 0 GEADMM CCCNC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736483117 598412067 /nfs/dbraw/zinc/41/20/67/598412067.db2.gz FCHJASGSNOVNTM-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM CCCNC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736483117 598412068 /nfs/dbraw/zinc/41/20/68/598412068.db2.gz FCHJASGSNOVNTM-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM CSc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cn1 ZINC000737192441 598418680 /nfs/dbraw/zinc/41/86/80/598418680.db2.gz YPLUABAGJMNEDY-UHFFFAOYSA-N -1 1 385.453 2.272 20 0 GEADMM COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736911128 598443224 /nfs/dbraw/zinc/44/32/24/598443224.db2.gz SIQRXFXPUSQEGH-KBPBESRZSA-N -1 1 394.391 2.110 20 0 GEADMM Cc1occc1C(=O)NC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737555922 598457685 /nfs/dbraw/zinc/45/76/85/598457685.db2.gz BJMTXMCKEPMWKV-UHFFFAOYSA-N -1 1 393.860 2.277 20 0 GEADMM Cc1occc1C(=O)NC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737555922 598457687 /nfs/dbraw/zinc/45/76/87/598457687.db2.gz BJMTXMCKEPMWKV-UHFFFAOYSA-N -1 1 393.860 2.277 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC1CCCCCCC1 ZINC000737982861 598504834 /nfs/dbraw/zinc/50/48/34/598504834.db2.gz SLGPIGDBJSEOGZ-UHFFFAOYSA-N -1 1 380.452 2.411 20 0 GEADMM O=C(C1CCCCC1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737787598 598578114 /nfs/dbraw/zinc/57/81/14/598578114.db2.gz XUCOJELVEUVWMO-UHFFFAOYSA-N -1 1 375.864 2.144 20 0 GEADMM O=C(C1CCCCC1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737787598 598578115 /nfs/dbraw/zinc/57/81/15/598578115.db2.gz XUCOJELVEUVWMO-UHFFFAOYSA-N -1 1 375.864 2.144 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCc1cccc(F)c1 ZINC000737200991 598588007 /nfs/dbraw/zinc/58/80/07/598588007.db2.gz OYSOVWPFDBFRJQ-UHFFFAOYSA-N -1 1 398.442 2.405 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737186674 598606274 /nfs/dbraw/zinc/60/62/74/598606274.db2.gz KQQVSRFMFMPFDF-LBPRGKRZSA-N -1 1 397.464 2.016 20 0 GEADMM CCOc1ccc(OCCn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cc1 ZINC000736650256 598641628 /nfs/dbraw/zinc/64/16/28/598641628.db2.gz CZUKSBIRZFCZPI-UHFFFAOYSA-N -1 1 384.440 2.026 20 0 GEADMM CCc1nn(Cc2cc(-c3ccccc3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708538 598642327 /nfs/dbraw/zinc/64/23/27/598642327.db2.gz XZIFLZWQKZJYHW-UHFFFAOYSA-N -1 1 377.408 2.252 20 0 GEADMM COc1ccc(-c2nc(Cn3cccc(-c4nn[n-]n4)c3=O)cs2)cc1OC ZINC000737057045 598675698 /nfs/dbraw/zinc/67/56/98/598675698.db2.gz OBYPBEMXMNUOSW-UHFFFAOYSA-N -1 1 396.432 2.217 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000738372757 598676562 /nfs/dbraw/zinc/67/65/62/598676562.db2.gz URJJEIXOBNHROO-UHFFFAOYSA-N -1 1 390.190 2.434 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1F)C1CC1 ZINC000738354704 598689693 /nfs/dbraw/zinc/68/96/93/598689693.db2.gz JVYMKOBPFFVTDN-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM Cc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737409213 598693767 /nfs/dbraw/zinc/69/37/67/598693767.db2.gz OCWMJQNQDFZZQL-HNNXBMFYSA-N -1 1 389.412 2.116 20 0 GEADMM CN(CC1CCCCC1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736791640 598719230 /nfs/dbraw/zinc/71/92/30/598719230.db2.gz BNDGQHZLNZLHSK-UHFFFAOYSA-N -1 1 380.452 2.220 20 0 GEADMM C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736296228 598719351 /nfs/dbraw/zinc/71/93/51/598719351.db2.gz GTKDUUFVJQOXRJ-CYBMUJFWSA-N -1 1 386.415 2.159 20 0 GEADMM CC(C)(C)CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000735601704 598720522 /nfs/dbraw/zinc/72/05/22/598720522.db2.gz AJYGPSZTWCHEGD-UHFFFAOYSA-N -1 1 388.859 2.387 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccc(N(C)C)cc1 ZINC000737200248 598748817 /nfs/dbraw/zinc/74/88/17/598748817.db2.gz KYXSGSZIINOAQG-UHFFFAOYSA-N -1 1 395.467 2.246 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000738353821 598768689 /nfs/dbraw/zinc/76/86/89/598768689.db2.gz HJNYUEGFUKPUDX-SFHVURJKSA-N -1 1 396.476 2.492 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000738353821 598768691 /nfs/dbraw/zinc/76/86/91/598768691.db2.gz HJNYUEGFUKPUDX-SFHVURJKSA-N -1 1 396.476 2.492 20 0 GEADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)no1 ZINC000822198672 599336182 /nfs/dbraw/zinc/33/61/82/599336182.db2.gz FRQFWPHFOHSUKI-CYBMUJFWSA-N -1 1 394.844 2.342 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1c1cccnc1 ZINC000823601213 599336988 /nfs/dbraw/zinc/33/69/88/599336988.db2.gz WLKQGJMRQSKEJY-AWEZNQCLSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1Cc1ccccc1 ZINC000823607783 599337152 /nfs/dbraw/zinc/33/71/52/599337152.db2.gz WYGXZBWIOSZWIG-CQSZACIVSA-N -1 1 387.440 2.402 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1Cc1ccccc1 ZINC000823607783 599337154 /nfs/dbraw/zinc/33/71/54/599337154.db2.gz WYGXZBWIOSZWIG-CQSZACIVSA-N -1 1 387.440 2.402 20 0 GEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000822299680 599348536 /nfs/dbraw/zinc/34/85/36/599348536.db2.gz QWWWWRSBYGDWLD-KRWDZBQOSA-N -1 1 384.465 2.404 20 0 GEADMM Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000822299680 599348537 /nfs/dbraw/zinc/34/85/37/599348537.db2.gz QWWWWRSBYGDWLD-KRWDZBQOSA-N -1 1 384.465 2.404 20 0 GEADMM O=S(=O)(NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823567621 599357190 /nfs/dbraw/zinc/35/71/90/599357190.db2.gz UEYABGPNLBEBRX-UHFFFAOYSA-N -1 1 390.856 2.140 20 0 GEADMM O=S(=O)(NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823567621 599357193 /nfs/dbraw/zinc/35/71/93/599357193.db2.gz UEYABGPNLBEBRX-UHFFFAOYSA-N -1 1 390.856 2.140 20 0 GEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820666501 599362183 /nfs/dbraw/zinc/36/21/83/599362183.db2.gz IFQUBIUFDLPQQS-ZBEGNZNMSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820666501 599362187 /nfs/dbraw/zinc/36/21/87/599362187.db2.gz IFQUBIUFDLPQQS-ZBEGNZNMSA-N -1 1 388.428 2.173 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC2(C1)CCCCCC2 ZINC000823599904 599372971 /nfs/dbraw/zinc/37/29/71/599372971.db2.gz ANCBURFWPMFKHM-UHFFFAOYSA-N -1 1 376.486 2.387 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC2(C1)CCCCCC2 ZINC000823599904 599372973 /nfs/dbraw/zinc/37/29/73/599372973.db2.gz ANCBURFWPMFKHM-UHFFFAOYSA-N -1 1 376.486 2.387 20 0 GEADMM CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821449119 599374943 /nfs/dbraw/zinc/37/49/43/599374943.db2.gz QCJNHHFPPJPAGT-QWRGUYRKSA-N -1 1 385.490 2.301 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(c2ccccc2F)CC1 ZINC000737198810 599378452 /nfs/dbraw/zinc/37/84/52/599378452.db2.gz DLWAEGODVVDYFD-UHFFFAOYSA-N -1 1 396.426 2.461 20 0 GEADMM COc1cccc(OC)c1OC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737141542 599411503 /nfs/dbraw/zinc/41/15/03/599411503.db2.gz NGLPVSJESWGXBG-UHFFFAOYSA-N -1 1 382.424 2.327 20 0 GEADMM COc1cccc(OC)c1OC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737141542 599411506 /nfs/dbraw/zinc/41/15/06/599411506.db2.gz NGLPVSJESWGXBG-UHFFFAOYSA-N -1 1 382.424 2.327 20 0 GEADMM O=C(c1c(F)cccc1Cl)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738246969 599428110 /nfs/dbraw/zinc/42/81/10/599428110.db2.gz LBBFLPBRQOZLNP-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM O=C(c1c(F)cccc1Cl)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738246969 599428112 /nfs/dbraw/zinc/42/81/12/599428112.db2.gz LBBFLPBRQOZLNP-UHFFFAOYSA-N -1 1 387.806 2.017 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1Cl ZINC000736131307 599448637 /nfs/dbraw/zinc/44/86/37/599448637.db2.gz PZIQPIOKCMROMY-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1Cl ZINC000736131307 599448639 /nfs/dbraw/zinc/44/86/39/599448639.db2.gz PZIQPIOKCMROMY-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](c1ccccn1)C(C)C ZINC000737200849 599468870 /nfs/dbraw/zinc/46/88/70/599468870.db2.gz NQLYXQQAKSZECP-GOSISDBHSA-N -1 1 395.467 2.425 20 0 GEADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC000820225518 607381499 /nfs/dbraw/zinc/38/14/99/607381499.db2.gz KIJLGEKYFWVLDF-CYBMUJFWSA-N -1 1 393.455 2.086 20 0 GEADMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC000820225518 607381501 /nfs/dbraw/zinc/38/15/01/607381501.db2.gz KIJLGEKYFWVLDF-CYBMUJFWSA-N -1 1 393.455 2.086 20 0 GEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c(=O)[n-]1 ZINC000821989328 599510503 /nfs/dbraw/zinc/51/05/03/599510503.db2.gz JQCXKNHWZBRVNS-SNVBAGLBSA-N -1 1 399.480 2.203 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC1CCOCC1 ZINC000737273593 599558611 /nfs/dbraw/zinc/55/86/11/599558611.db2.gz GDIPOZJWEBIBGJ-UHFFFAOYSA-N -1 1 380.408 2.380 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC1CCOCC1 ZINC000737273593 599558614 /nfs/dbraw/zinc/55/86/14/599558614.db2.gz GDIPOZJWEBIBGJ-UHFFFAOYSA-N -1 1 380.408 2.380 20 0 GEADMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738266593 599576628 /nfs/dbraw/zinc/57/66/28/599576628.db2.gz JBJCFEHAQUPXEV-AWEZNQCLSA-N -1 1 380.383 2.136 20 0 GEADMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738266593 599576630 /nfs/dbraw/zinc/57/66/30/599576630.db2.gz JBJCFEHAQUPXEV-AWEZNQCLSA-N -1 1 380.383 2.136 20 0 GEADMM CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736395819 599595085 /nfs/dbraw/zinc/59/50/85/599595085.db2.gz IXZPYMQGHHQWEN-HNNXBMFYSA-N -1 1 376.417 2.173 20 0 GEADMM O=C(Nc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000823430905 599626763 /nfs/dbraw/zinc/62/67/63/599626763.db2.gz LIAMQBUAHHILHF-UHFFFAOYSA-N -1 1 390.359 2.464 20 0 GEADMM O=C(Nc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC000823430905 599626764 /nfs/dbraw/zinc/62/67/64/599626764.db2.gz LIAMQBUAHHILHF-UHFFFAOYSA-N -1 1 390.359 2.464 20 0 GEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)c1 ZINC000819835315 599653976 /nfs/dbraw/zinc/65/39/76/599653976.db2.gz VUHFXMFDGSEKBF-CYBMUJFWSA-N -1 1 396.403 2.328 20 0 GEADMM CO[C@@]1(C)C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1(C)C ZINC000821678190 599654583 /nfs/dbraw/zinc/65/45/83/599654583.db2.gz KTMUWWBWSGWTPH-BUXKBTBVSA-N -1 1 384.440 2.492 20 0 GEADMM CO[C@@]1(C)C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1(C)C ZINC000821678190 599654584 /nfs/dbraw/zinc/65/45/84/599654584.db2.gz KTMUWWBWSGWTPH-BUXKBTBVSA-N -1 1 384.440 2.492 20 0 GEADMM CCC(C)(C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820847356 599673148 /nfs/dbraw/zinc/67/31/48/599673148.db2.gz BQZUVZIADURJBY-UHFFFAOYSA-N -1 1 397.439 2.360 20 0 GEADMM CCC(C)(C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820847356 599673149 /nfs/dbraw/zinc/67/31/49/599673149.db2.gz BQZUVZIADURJBY-UHFFFAOYSA-N -1 1 397.439 2.360 20 0 GEADMM COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)c(C(=O)[O-])c1 ZINC000738033901 599754689 /nfs/dbraw/zinc/75/46/89/599754689.db2.gz OIGLMCHHMUNICB-UHFFFAOYSA-N -1 1 385.401 2.181 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000736649504 599755198 /nfs/dbraw/zinc/75/51/98/599755198.db2.gz HJXSRIXXYIQQQP-WBMJQRKESA-N -1 1 380.404 2.013 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737526576 599780682 /nfs/dbraw/zinc/78/06/82/599780682.db2.gz UUUABEHWOTYIDE-HXUWFJFHSA-N -1 1 396.491 2.173 20 0 GEADMM CCCC(=O)NC[C@@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736952975 599784735 /nfs/dbraw/zinc/78/47/35/599784735.db2.gz YRKBAUHASBKDLV-INIZCTEOSA-N -1 1 390.484 2.021 20 0 GEADMM CCCC(=O)NC[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736952995 599785575 /nfs/dbraw/zinc/78/55/75/599785575.db2.gz ZDZTYPZOSLBWMT-NVXWUHKLSA-N -1 1 389.496 2.018 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCN(Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736886047 599796722 /nfs/dbraw/zinc/79/67/22/599796722.db2.gz ORCVAQFPHYSIQN-QFBILLFUSA-N -1 1 375.513 2.198 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(C(=O)[O-])s1 ZINC000737680867 599813888 /nfs/dbraw/zinc/81/38/88/599813888.db2.gz NBNWFFYUIYZWJD-UHFFFAOYSA-N -1 1 377.346 2.312 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 ZINC000737680467 599826311 /nfs/dbraw/zinc/82/63/11/599826311.db2.gz FQLVKLDLVFYDPC-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723234 607400413 /nfs/dbraw/zinc/40/04/13/607400413.db2.gz NKZFBYAVKGIFPY-BXUZGUMPSA-N -1 1 388.428 2.207 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723234 607400414 /nfs/dbraw/zinc/40/04/14/607400414.db2.gz NKZFBYAVKGIFPY-BXUZGUMPSA-N -1 1 388.428 2.207 20 0 GEADMM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])c(F)c1 ZINC000583118993 599850576 /nfs/dbraw/zinc/85/05/76/599850576.db2.gz OCBQWZQVLLIPFK-UHFFFAOYSA-N -1 1 394.424 2.470 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738406147 599861355 /nfs/dbraw/zinc/86/13/55/599861355.db2.gz MBDCIDLPJFLYIC-OAHLLOKOSA-N -1 1 375.473 2.011 20 0 GEADMM COc1ccc(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1C(=O)[O-] ZINC000738004936 599904821 /nfs/dbraw/zinc/90/48/21/599904821.db2.gz FYPLEVKKVLARKR-UHFFFAOYSA-N -1 1 399.382 2.317 20 0 GEADMM COc1ccc(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1C(=O)[O-] ZINC000738004936 599904824 /nfs/dbraw/zinc/90/48/24/599904824.db2.gz FYPLEVKKVLARKR-UHFFFAOYSA-N -1 1 399.382 2.317 20 0 GEADMM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477423957 599907127 /nfs/dbraw/zinc/90/71/27/599907127.db2.gz ZPTKHEVHIMPHJM-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000737547997 607406098 /nfs/dbraw/zinc/40/60/98/607406098.db2.gz NESAKZLCTIUGOU-JTQLQIEISA-N -1 1 386.412 2.019 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000737547997 607406100 /nfs/dbraw/zinc/40/61/00/607406100.db2.gz NESAKZLCTIUGOU-JTQLQIEISA-N -1 1 386.412 2.019 20 0 GEADMM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736659817 599929409 /nfs/dbraw/zinc/92/94/09/599929409.db2.gz YAVYOFWSHAXZHC-ZDUSSCGKSA-N -1 1 386.427 2.162 20 0 GEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000738473454 599954951 /nfs/dbraw/zinc/95/49/51/599954951.db2.gz NYUYYQTUPSPQMB-LBPRGKRZSA-N -1 1 396.403 2.092 20 0 GEADMM CC[C@H]1CN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC[N@H+]1CCOC ZINC000736943165 599960825 /nfs/dbraw/zinc/96/08/25/599960825.db2.gz IZNQNEGERVUGTC-RDJZCZTQSA-N -1 1 377.485 2.063 20 0 GEADMM CC[C@H]1CN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1CCOC ZINC000736943165 599960828 /nfs/dbraw/zinc/96/08/28/599960828.db2.gz IZNQNEGERVUGTC-RDJZCZTQSA-N -1 1 377.485 2.063 20 0 GEADMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)Cc1cccc(F)c1 ZINC000739501454 599978621 /nfs/dbraw/zinc/97/86/21/599978621.db2.gz JEDQAHVTDOTENQ-JTQLQIEISA-N -1 1 391.342 2.465 20 0 GEADMM CC(C)[C@@H](NC(=O)CN1CCC(C(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000430672682 600033573 /nfs/dbraw/zinc/03/35/73/600033573.db2.gz VXUSVGXJJXRQLA-LJQANCHMSA-N -1 1 376.453 2.068 20 0 GEADMM COCCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1C ZINC000737822592 600054382 /nfs/dbraw/zinc/05/43/82/600054382.db2.gz WJQRYGPLLCUHRD-UHFFFAOYSA-N -1 1 386.451 2.284 20 0 GEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000740025763 600096069 /nfs/dbraw/zinc/09/60/69/600096069.db2.gz WPCSSZIGZWJUGN-MRXNPFEDSA-N -1 1 383.452 2.222 20 0 GEADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000568059534 600096303 /nfs/dbraw/zinc/09/63/03/600096303.db2.gz DLYQHOCMPSZFRT-UHFFFAOYSA-N -1 1 384.480 2.264 20 0 GEADMM O=C([O-])Nc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1F ZINC000740012973 600101464 /nfs/dbraw/zinc/10/14/64/600101464.db2.gz SOWWMBAENGFKLM-UHFFFAOYSA-N -1 1 396.400 2.281 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Br ZINC000115919467 600101921 /nfs/dbraw/zinc/10/19/21/600101921.db2.gz MTBUCAJMZHKUDU-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1N(C)C ZINC000737687719 600105490 /nfs/dbraw/zinc/10/54/90/600105490.db2.gz HTRKZOONEFSPJP-UHFFFAOYSA-N -1 1 378.406 2.038 20 0 GEADMM COc1ccc([C@@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1Br ZINC000737949918 600107385 /nfs/dbraw/zinc/10/73/85/600107385.db2.gz PSSRLQXBPXVXPQ-LLVKDONJSA-N -1 1 399.285 2.432 20 0 GEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000739548670 600110593 /nfs/dbraw/zinc/11/05/93/600110593.db2.gz QMUSCKIMUIWADR-LEWJYISDSA-N -1 1 393.487 2.346 20 0 GEADMM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000739545671 600112258 /nfs/dbraw/zinc/11/22/58/600112258.db2.gz AFEBWNDUVJJIPN-ZJUUUORDSA-N -1 1 384.410 2.347 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)c1 ZINC000737084737 600147859 /nfs/dbraw/zinc/14/78/59/600147859.db2.gz MNGDDJGAWHNHFD-UHFFFAOYSA-N -1 1 375.469 2.484 20 0 GEADMM O=C([O-])C1(NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCCCC1 ZINC000739307218 600148433 /nfs/dbraw/zinc/14/84/33/600148433.db2.gz JSCACMWZEUCDCS-MRXNPFEDSA-N -1 1 388.464 2.498 20 0 GEADMM CCC[C@@](C)(NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736962114 600151409 /nfs/dbraw/zinc/15/14/09/600151409.db2.gz XWPAFMSDGBXIPG-FOIQADDNSA-N -1 1 376.453 2.354 20 0 GEADMM CCC[C@@](C)(NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000736964299 600152879 /nfs/dbraw/zinc/15/28/79/600152879.db2.gz MOUHVELXWNQVHR-CQSZACIVSA-N -1 1 390.221 2.463 20 0 GEADMM CCC[C@](C)(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000736959168 600154034 /nfs/dbraw/zinc/15/40/34/600154034.db2.gz DSSDGVCHILTOQI-FQEVSTJZSA-N -1 1 375.469 2.097 20 0 GEADMM O=C([O-])c1cccc(CS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000311844542 600162722 /nfs/dbraw/zinc/16/27/22/600162722.db2.gz YVLCSHODZFBPDU-UHFFFAOYSA-N -1 1 388.489 2.469 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c(F)cc1F ZINC000740090103 600229984 /nfs/dbraw/zinc/22/99/84/600229984.db2.gz SCNDSFNZGGWENH-UHFFFAOYSA-N -1 1 398.387 2.300 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c(F)cc1F ZINC000740089346 600235830 /nfs/dbraw/zinc/23/58/30/600235830.db2.gz FVEKRVRAZYIFGX-UHFFFAOYSA-N -1 1 394.359 2.104 20 0 GEADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000737083866 600255098 /nfs/dbraw/zinc/25/50/98/600255098.db2.gz AQIJLOONNRCHSX-UHFFFAOYSA-N -1 1 379.438 2.304 20 0 GEADMM CCOCCN1CCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@H]1CC ZINC000737176872 600270204 /nfs/dbraw/zinc/27/02/04/600270204.db2.gz SFRWXBPESVXHMA-MRXNPFEDSA-N -1 1 393.484 2.036 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)CC(=O)N(C)c3ccccc3C(=O)[O-])C2)nn1 ZINC000738614203 600274486 /nfs/dbraw/zinc/27/44/86/600274486.db2.gz JQJXHMKUCHXJLD-INIZCTEOSA-N -1 1 397.479 2.047 20 0 GEADMM CC(C)[C@@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736390138 600274867 /nfs/dbraw/zinc/27/48/67/600274867.db2.gz GOIPYCTUSBIHJS-CQSZACIVSA-N -1 1 389.481 2.307 20 0 GEADMM C[C@@H]1CCCCN1CC(N)=NOCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736782347 600283812 /nfs/dbraw/zinc/28/38/12/600283812.db2.gz BQPKZGVUWWWTAU-LLVKDONJSA-N -1 1 394.497 2.246 20 0 GEADMM CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC000737161273 600286189 /nfs/dbraw/zinc/28/61/89/600286189.db2.gz FYMGGPZWZULWEL-KGLIPLIRSA-N -1 1 392.452 2.247 20 0 GEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000739279436 600288541 /nfs/dbraw/zinc/28/85/41/600288541.db2.gz ZOPUTJCHDNPSFU-AWEZNQCLSA-N -1 1 386.370 2.388 20 0 GEADMM Cc1cc(=O)n2nc(CN(CCC(=O)[O-])Cc3ccc(F)c(F)c3)sc2n1 ZINC000738313980 600328484 /nfs/dbraw/zinc/32/84/84/600328484.db2.gz GRLZSPLDUZTKKT-UHFFFAOYSA-N -1 1 394.403 2.215 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N1CC[NH+](C)CC1 ZINC000736353964 600513373 /nfs/dbraw/zinc/51/33/73/600513373.db2.gz SKZIWDDMKUDAQW-INIZCTEOSA-N -1 1 382.892 2.432 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)N1CCN(C)CC1 ZINC000736353964 600513376 /nfs/dbraw/zinc/51/33/76/600513376.db2.gz SKZIWDDMKUDAQW-INIZCTEOSA-N -1 1 382.892 2.432 20 0 GEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000390543496 600517897 /nfs/dbraw/zinc/51/78/97/600517897.db2.gz MBLDQLZSLYJDNQ-MRXNPFEDSA-N -1 1 392.452 2.467 20 0 GEADMM O=C([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000390568524 600518055 /nfs/dbraw/zinc/51/80/55/600518055.db2.gz UMSYYUDFQOTYGU-IBGZPJMESA-N -1 1 388.489 2.469 20 0 GEADMM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000511210443 600543987 /nfs/dbraw/zinc/54/39/87/600543987.db2.gz WOGXGCPYNQOALX-UHFFFAOYSA-N -1 1 394.405 2.161 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000738665080 600550030 /nfs/dbraw/zinc/55/00/30/600550030.db2.gz QNBBZHRUGXPARC-SFHVURJKSA-N -1 1 396.447 2.496 20 0 GEADMM CC[C@](C)(NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)C(=O)[O-] ZINC000736862580 600561710 /nfs/dbraw/zinc/56/17/10/600561710.db2.gz CZRHLEAEBSFBHL-YPMLDQLKSA-N -1 1 382.482 2.441 20 0 GEADMM Cc1nc2c(c(=O)n(CN(CC3CC3)CC3CC3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872316 600623610 /nfs/dbraw/zinc/62/36/10/600623610.db2.gz QOIUDERJHUWXGN-UHFFFAOYSA-N -1 1 386.496 2.449 20 0 GEADMM CN(C)[C@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccsc1 ZINC000737357446 600642944 /nfs/dbraw/zinc/64/29/44/600642944.db2.gz AGUZMPQWHIYORJ-MRXNPFEDSA-N -1 1 377.466 2.314 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cs1 ZINC000298865985 600673946 /nfs/dbraw/zinc/67/39/46/600673946.db2.gz RDCCKIYFVFROJV-CYBMUJFWSA-N -1 1 396.446 2.365 20 0 GEADMM NC(=O)CCSc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000487249073 600680787 /nfs/dbraw/zinc/68/07/87/600680787.db2.gz GPEGLQGPYJBBOE-UHFFFAOYSA-N -1 1 386.476 2.215 20 0 GEADMM CN1C(=O)COc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc21 ZINC000743269625 600691271 /nfs/dbraw/zinc/69/12/71/600691271.db2.gz YFGBPNKMFJDVHM-UHFFFAOYSA-N -1 1 396.808 2.194 20 0 GEADMM Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)o1 ZINC000284912112 600717900 /nfs/dbraw/zinc/71/79/00/600717900.db2.gz BFLNUYWNYDZJTA-UHFFFAOYSA-N -1 1 380.466 2.347 20 0 GEADMM Cn1cc(S(=O)(=O)N(c2cccc(F)c2)C2CCN(C)CC2)cc1C(=O)[O-] ZINC000830923954 600784754 /nfs/dbraw/zinc/78/47/54/600784754.db2.gz XFEPHRVUTQBZJB-UHFFFAOYSA-N -1 1 395.456 2.152 20 0 GEADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000830856594 600786242 /nfs/dbraw/zinc/78/62/42/600786242.db2.gz MNKYZXPASSCTSP-SFHVURJKSA-N -1 1 388.489 2.209 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000830856591 600786262 /nfs/dbraw/zinc/78/62/62/600786262.db2.gz MNKYZXPASSCTSP-GOSISDBHSA-N -1 1 388.489 2.209 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000830855701 600786469 /nfs/dbraw/zinc/78/64/69/600786469.db2.gz FGEOXVYGNDBCBP-LJQANCHMSA-N -1 1 388.489 2.421 20 0 GEADMM Cn1cc(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000830928261 600786634 /nfs/dbraw/zinc/78/66/34/600786634.db2.gz IMEWNLCSVYOLQR-WBMJQRKESA-N -1 1 397.522 2.146 20 0 GEADMM COc1ccc(S(=O)(=O)NCc2nc3ccc(C)cc3[nH]2)cc1C(=O)[O-] ZINC000832468379 600792176 /nfs/dbraw/zinc/79/21/76/600792176.db2.gz AXSDVBUYNVQGSB-UHFFFAOYSA-N -1 1 375.406 2.057 20 0 GEADMM CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000363022047 600811361 /nfs/dbraw/zinc/81/13/61/600811361.db2.gz JTVUHMILTXNERX-UHFFFAOYSA-N -1 1 389.437 2.433 20 0 GEADMM COC(=O)c1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)ccc2o1 ZINC000603976794 600812008 /nfs/dbraw/zinc/81/20/08/600812008.db2.gz ZXSTUZDPATYSAJ-UHFFFAOYSA-N -1 1 378.362 2.057 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)n2)cc1 ZINC000737911536 600813051 /nfs/dbraw/zinc/81/30/51/600813051.db2.gz KAJCYMRCRKXVAJ-UHFFFAOYSA-N -1 1 393.403 2.404 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)n[nH]2)cc1 ZINC000737911536 600813053 /nfs/dbraw/zinc/81/30/53/600813053.db2.gz KAJCYMRCRKXVAJ-UHFFFAOYSA-N -1 1 393.403 2.404 20 0 GEADMM Cc1nnc(SCCC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)[nH]1 ZINC000833022177 600837626 /nfs/dbraw/zinc/83/76/26/600837626.db2.gz XFPBPCGHOGIJDL-GFCCVEGCSA-N -1 1 399.270 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CC(C)[C@H](NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000827091827 601824493 /nfs/dbraw/zinc/82/44/93/601824493.db2.gz IYRNXTOXSOIALD-INIZCTEOSA-N -1 1 387.402 2.053 20 0 GEADMM Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063878032 601838226 /nfs/dbraw/zinc/83/82/26/601838226.db2.gz OOWXZHNFSMGDPS-UHFFFAOYSA-N -1 1 386.788 2.385 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1cccs1 ZINC000831084512 601839347 /nfs/dbraw/zinc/83/93/47/601839347.db2.gz MKWPXVJZNHVFIV-LBPRGKRZSA-N -1 1 389.838 2.292 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC(CCC(=O)[O-])CC2)cc1OC ZINC000662218671 601839358 /nfs/dbraw/zinc/83/93/58/601839358.db2.gz RCFOECKZMRDZGR-UHFFFAOYSA-N -1 1 378.469 2.239 20 0 GEADMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1C(N)=O ZINC000728854584 601840394 /nfs/dbraw/zinc/84/03/94/601840394.db2.gz ZERLYERPRNMQBU-UHFFFAOYSA-N -1 1 386.788 2.385 20 0 GEADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000833294949 601862434 /nfs/dbraw/zinc/86/24/34/601862434.db2.gz ODHZNQAYOTUQHX-UHFFFAOYSA-N -1 1 398.387 2.300 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1-c1nn[nH]n1 ZINC000826303986 607534945 /nfs/dbraw/zinc/53/49/45/607534945.db2.gz PWJNMCGJCRKJJJ-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM COc1ccc2cc(CN(C)C(=O)CN3CC[C@@H](CNC(=O)[O-])C3)ccc2c1 ZINC000739937243 601955295 /nfs/dbraw/zinc/95/52/95/601955295.db2.gz LMVAVPUPRYBITC-INIZCTEOSA-N -1 1 385.464 2.396 20 0 GEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000831930497 601956929 /nfs/dbraw/zinc/95/69/29/601956929.db2.gz ZMBBUHQMIUMNBD-IJLUTSLNSA-N -1 1 390.527 2.100 20 0 GEADMM Cc1cc(C)c(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c(C(=O)[O-])c1 ZINC000826263641 607536005 /nfs/dbraw/zinc/53/60/05/607536005.db2.gz LAPIOZJYHDKPAZ-UHFFFAOYSA-N -1 1 387.421 2.291 20 0 GEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1C(F)(F)F ZINC000826486438 607536265 /nfs/dbraw/zinc/53/62/65/607536265.db2.gz CMUQETOTKYGBDJ-UHFFFAOYSA-N -1 1 383.355 2.396 20 0 GEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1C(F)(F)F ZINC000826486438 607536268 /nfs/dbraw/zinc/53/62/68/607536268.db2.gz CMUQETOTKYGBDJ-UHFFFAOYSA-N -1 1 383.355 2.396 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167549 601969266 /nfs/dbraw/zinc/96/92/66/601969266.db2.gz IAMZKKJERWUDKY-RDTXWAMCSA-N -1 1 396.447 2.494 20 0 GEADMM Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832942594 601969856 /nfs/dbraw/zinc/96/98/56/601969856.db2.gz YUFNUTNKCPAJPV-CRAIPNDOSA-N -1 1 395.459 2.411 20 0 GEADMM CCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)cc1 ZINC000739506037 601976530 /nfs/dbraw/zinc/97/65/30/601976530.db2.gz WDTMRMLKASQIRE-UHFFFAOYSA-N -1 1 383.451 2.379 20 0 GEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000833264016 601978499 /nfs/dbraw/zinc/97/84/99/601978499.db2.gz ZQCFQSFEBSUOQF-UHFFFAOYSA-N -1 1 399.472 2.366 20 0 GEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000833264016 601978503 /nfs/dbraw/zinc/97/85/03/601978503.db2.gz ZQCFQSFEBSUOQF-UHFFFAOYSA-N -1 1 399.472 2.366 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398088354 601988989 /nfs/dbraw/zinc/98/89/89/601988989.db2.gz IQCYBHZLOAUFKS-BEFAXECRSA-N -1 1 388.489 2.467 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398153110 601989120 /nfs/dbraw/zinc/98/91/20/601989120.db2.gz ZCQVODVMMKZZFQ-ZFWWWQNUSA-N -1 1 392.452 2.465 20 0 GEADMM Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000477456180 601989183 /nfs/dbraw/zinc/98/91/83/601989183.db2.gz WOZVDCKNTJRDBS-UHFFFAOYSA-N -1 1 378.435 2.445 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C12CCC2 ZINC000829918501 602030239 /nfs/dbraw/zinc/03/02/39/602030239.db2.gz QSIBIWXRXZMZBX-CEXWTWQISA-N -1 1 386.492 2.304 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000827694339 602055686 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CS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2Cl)cc(C(=O)[O-])c1 ZINC000476388108 602123509 /nfs/dbraw/zinc/12/35/09/602123509.db2.gz IFOKBGSBKYYTBC-UHFFFAOYSA-N -1 1 389.838 2.243 20 0 GEADMM CN1CCO[C@H]2CN(c3cc(C(=O)[O-])nc4ccc(Br)cc43)C[C@@H]21 ZINC000830963251 602137918 /nfs/dbraw/zinc/13/79/18/602137918.db2.gz AOMXHLVYOVRHHL-HOTGVXAUSA-N -1 1 392.253 2.215 20 0 GEADMM COc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)[nH]n2)c1 ZINC000832510582 602169024 /nfs/dbraw/zinc/16/90/24/602169024.db2.gz WOXSXIZNWDFLGL-UHFFFAOYSA-N -1 1 394.387 2.152 20 0 GEADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000765107502 602202430 /nfs/dbraw/zinc/20/24/30/602202430.db2.gz UELITZQJNNUPDF-UHFFFAOYSA-N -1 1 385.369 2.351 20 0 GEADMM O=C(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCSCC1 ZINC000826474325 607552412 /nfs/dbraw/zinc/55/24/12/607552412.db2.gz LDHDAPGMVUOKJT-UHFFFAOYSA-N -1 1 381.465 2.063 20 0 GEADMM O=C(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCSCC1 ZINC000826474325 607552414 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ZINC000738847955 602415200 /nfs/dbraw/zinc/41/52/00/602415200.db2.gz GVSJGCKHOPNJLS-UHFFFAOYSA-N -1 1 377.489 2.124 20 0 GEADMM COc1ccc(CNC(=O)[C@@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1OC ZINC000739908422 602450320 /nfs/dbraw/zinc/45/03/20/602450320.db2.gz RVPVEOFJEKEVBI-UONOGXRCSA-N -1 1 393.484 2.077 20 0 GEADMM COc1cccc([C@@H](CNC(=O)[C@H]2CCCCN2C(=O)[O-])N2CCCC2)c1 ZINC000739945393 602492847 /nfs/dbraw/zinc/49/28/47/602492847.db2.gz KIOBANIIQPTMJT-QZTJIDSGSA-N -1 1 375.469 2.481 20 0 GEADMM CN(CC(=O)Nc1ccc(Br)cn1)CC1CCN(C(=O)[O-])CC1 ZINC000739625679 602527618 /nfs/dbraw/zinc/52/76/18/602527618.db2.gz APVFFWICTVAXKP-UHFFFAOYSA-N -1 1 385.262 2.104 20 0 GEADMM C[C@@H](NC(=O)[C@@H](C)N1CCC(N(C)C(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000737679566 602531540 /nfs/dbraw/zinc/53/15/40/602531540.db2.gz AZPHPXWHCYOXAI-ZIAGYGMSSA-N -1 1 391.468 2.098 20 0 GEADMM COc1ccc([C@@H](NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739896206 602532749 /nfs/dbraw/zinc/53/27/49/602532749.db2.gz ZIQALMCBMQTRRJ-LIRRHRJNSA-N -1 1 375.469 2.194 20 0 GEADMM CN(C(=O)[O-])C1CCN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC1 ZINC000738022369 602539507 /nfs/dbraw/zinc/53/95/07/602539507.db2.gz QPUJSDHTDYMRFR-UHFFFAOYSA-N -1 1 375.473 2.045 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC(N(C)C(=O)[O-])CC2)CC1 ZINC000737856349 602540382 /nfs/dbraw/zinc/54/03/82/602540382.db2.gz PRUNHTGNCADKCP-UHFFFAOYSA-N -1 1 389.500 2.435 20 0 GEADMM CCCN(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739350843 602547270 /nfs/dbraw/zinc/54/72/70/602547270.db2.gz OUWDEMGVUQKDHS-MSOLQXFVSA-N -1 1 393.459 2.190 20 0 GEADMM CCCN(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739350849 602547657 /nfs/dbraw/zinc/54/76/57/602547657.db2.gz OUWDEMGVUQKDHS-ROUUACIJSA-N -1 1 393.459 2.190 20 0 GEADMM COCCc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826163501 607575423 /nfs/dbraw/zinc/57/54/23/607575423.db2.gz XKJDYXADZQXJFE-UHFFFAOYSA-N -1 1 394.840 2.477 20 0 GEADMM COCCc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826163501 607575425 /nfs/dbraw/zinc/57/54/25/607575425.db2.gz XKJDYXADZQXJFE-UHFFFAOYSA-N -1 1 394.840 2.477 20 0 GEADMM COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])N2CCCC2)c1 ZINC000739946898 602613049 /nfs/dbraw/zinc/61/30/49/602613049.db2.gz YDYROXJXKJBOJN-YOEHRIQHSA-N -1 1 378.473 2.130 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824640385 607576717 /nfs/dbraw/zinc/57/67/17/607576717.db2.gz HNAYFDUDWAIVLR-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM O=C([O-])NC1(CNC(=O)N2CCC(CCN3CCOCC3)CC2)CCCCC1 ZINC000740545756 602628188 /nfs/dbraw/zinc/62/81/88/602628188.db2.gz OBIZXKYIBOMWAT-UHFFFAOYSA-N -1 1 396.532 2.101 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117284 602629919 /nfs/dbraw/zinc/62/99/19/602629919.db2.gz JQOAJJRQTLKTAB-CVEARBPZSA-N -1 1 378.473 2.366 20 0 GEADMM CC[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825121521 607578755 /nfs/dbraw/zinc/57/87/55/607578755.db2.gz SIMJHQICOPSCBV-GFCCVEGCSA-N -1 1 375.429 2.478 20 0 GEADMM CC[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825121521 607578757 /nfs/dbraw/zinc/57/87/57/607578757.db2.gz SIMJHQICOPSCBV-GFCCVEGCSA-N -1 1 375.429 2.478 20 0 GEADMM Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000826288594 607580144 /nfs/dbraw/zinc/58/01/44/607580144.db2.gz OIUNFVBCOKRGQA-UHFFFAOYSA-N -1 1 381.820 2.446 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)N(C)C)c1 ZINC000739945512 602692228 /nfs/dbraw/zinc/69/22/28/602692228.db2.gz LMAWYTMMCAMJJF-KSSFIOAISA-N -1 1 392.500 2.376 20 0 GEADMM CC(=O)c1ccc(C)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824024783 607581585 /nfs/dbraw/zinc/58/15/85/607581585.db2.gz PLWXKEGUHNCXOP-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000739534959 602733298 /nfs/dbraw/zinc/73/32/98/602733298.db2.gz SGSUCHYCTRZOAY-ZDUSSCGKSA-N -1 1 388.390 2.442 20 0 GEADMM O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488054 607582732 /nfs/dbraw/zinc/58/27/32/607582732.db2.gz HODQBUJPBRWTRT-UHFFFAOYSA-N -1 1 393.366 2.405 20 0 GEADMM O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488054 607582733 /nfs/dbraw/zinc/58/27/33/607582733.db2.gz HODQBUJPBRWTRT-UHFFFAOYSA-N -1 1 393.366 2.405 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])C[C@H]2C)N2CCCC2)cc1 ZINC000739891661 602753333 /nfs/dbraw/zinc/75/33/33/602753333.db2.gz DHQLHKOOFJIKAZ-CRAIPNDOSA-N -1 1 390.484 2.226 20 0 GEADMM C[C@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739177906 602764359 /nfs/dbraw/zinc/76/43/59/602764359.db2.gz XEJUEIBXPSJELA-SWLSCSKDSA-N -1 1 385.411 2.224 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[C@H](C)NC(=O)[O-])CC1 ZINC000827228632 602783756 /nfs/dbraw/zinc/78/37/56/602783756.db2.gz QIRKWHGJDZHKDN-UONOGXRCSA-N -1 1 380.464 2.191 20 0 GEADMM C[C@@H]1CN(CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@H]1NC(=O)[O-] ZINC000739177864 602788093 /nfs/dbraw/zinc/78/80/93/602788093.db2.gz XAFRUAVLXXENHR-CZUORRHYSA-N -1 1 383.876 2.155 20 0 GEADMM C[C@H]1CN(CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739177860 602788412 /nfs/dbraw/zinc/78/84/12/602788412.db2.gz XAFRUAVLXXENHR-BBRMVZONSA-N -1 1 383.876 2.155 20 0 GEADMM COc1ccc(CN(C(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)C2CC2)cc1 ZINC000739904538 602789329 /nfs/dbraw/zinc/78/93/29/602789329.db2.gz QBBBBANHEWKINS-KSSFIOAISA-N -1 1 375.469 2.164 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)N2CCCC2)o1 ZINC000740119516 602828667 /nfs/dbraw/zinc/82/86/67/602828667.db2.gz WCRZCVWEHBWTPS-BMFZPTHFSA-N -1 1 378.473 2.413 20 0 GEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)ccc1F ZINC000739610288 602841147 /nfs/dbraw/zinc/84/11/47/602841147.db2.gz QCQOIQGTFRIXKL-OAHLLOKOSA-N -1 1 380.464 2.419 20 0 GEADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)C[C@@H](C)NC(=O)[O-])CC2)c1C ZINC000829066895 602847040 /nfs/dbraw/zinc/84/70/40/602847040.db2.gz NRZGQMOHVCQIRY-CQSZACIVSA-N -1 1 392.500 2.176 20 0 GEADMM C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000824901045 607591304 /nfs/dbraw/zinc/59/13/04/607591304.db2.gz XGHUDLLOGGJNMS-MWLCHTKSSA-N -1 1 377.401 2.201 20 0 GEADMM C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000824901045 607591305 /nfs/dbraw/zinc/59/13/05/607591305.db2.gz XGHUDLLOGGJNMS-MWLCHTKSSA-N -1 1 377.401 2.201 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000739965893 602901412 /nfs/dbraw/zinc/90/14/12/602901412.db2.gz IUIOMLYOFMVIIB-INIZCTEOSA-N -1 1 381.392 2.105 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000739965893 602901415 /nfs/dbraw/zinc/90/14/15/602901415.db2.gz IUIOMLYOFMVIIB-INIZCTEOSA-N -1 1 381.392 2.105 20 0 GEADMM Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cn1 ZINC000826288767 607590762 /nfs/dbraw/zinc/59/07/62/607590762.db2.gz VTGQHIWDSAJYQS-UHFFFAOYSA-N -1 1 398.370 2.067 20 0 GEADMM Cc1cccc(OC[C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826300124 607595827 /nfs/dbraw/zinc/59/58/27/607595827.db2.gz JTJHZQRYFWOYHY-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1cccc(OC[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826300128 607595960 /nfs/dbraw/zinc/59/59/60/607595960.db2.gz JYOXTHXTAPIQTA-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1cccc(OC[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826300128 607595963 /nfs/dbraw/zinc/59/59/63/607595963.db2.gz JYOXTHXTAPIQTA-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000740625550 602975894 /nfs/dbraw/zinc/97/58/94/602975894.db2.gz LCFNIXWQJSOHRG-KCJUWKMLSA-N -1 1 381.230 2.492 20 0 GEADMM Cc1ccc(-c2noc(CN3CCN(C[C@@H]4CCN(C(=O)[O-])C4)CC3)n2)cc1 ZINC000740103345 602978218 /nfs/dbraw/zinc/97/82/18/602978218.db2.gz UROZPZABSRSRKH-INIZCTEOSA-N -1 1 385.468 2.163 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1C[C@H]2CCCCN2C[C@H]1C)NC(=O)[O-] ZINC000739958268 603000787 /nfs/dbraw/zinc/00/07/87/603000787.db2.gz LCCIDMXPXACCCD-INMHGKMJSA-N -1 1 390.484 2.272 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)N2CCCC2)cc1 ZINC000829313113 603002697 /nfs/dbraw/zinc/00/26/97/603002697.db2.gz ZYVLMWKAXBLCHP-QAPCUYQASA-N -1 1 390.484 2.226 20 0 GEADMM CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825654278 607600350 /nfs/dbraw/zinc/60/03/50/607600350.db2.gz VDDGSDCMNIDGFB-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825654278 607600352 /nfs/dbraw/zinc/60/03/52/607600352.db2.gz VDDGSDCMNIDGFB-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM CCOc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825654363 607600673 /nfs/dbraw/zinc/60/06/73/607600673.db2.gz YRQKIOLUCWSMDB-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM CC(C)(C)[C@H](NCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O)c1ccccc1 ZINC000738676414 603045246 /nfs/dbraw/zinc/04/52/46/603045246.db2.gz QEPWXAXKTSIHIL-OAHLLOKOSA-N -1 1 388.468 2.385 20 0 GEADMM CC[C@@H]1CN(C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)CCN1C[C@@H](C)O ZINC000826682972 603059262 /nfs/dbraw/zinc/05/92/62/603059262.db2.gz RCXRTXBNADLJDI-NXHRZFHOSA-N -1 1 377.485 2.079 20 0 GEADMM O=C1CCCc2cc(OS(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)ccc21 ZINC000826480527 607603737 /nfs/dbraw/zinc/60/37/37/607603737.db2.gz FVSLXJOSLMXFPT-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM CC[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)CCN1C[C@H](C)O ZINC000826682969 603059421 /nfs/dbraw/zinc/05/94/21/603059421.db2.gz RCXRTXBNADLJDI-CGTJXYLNSA-N -1 1 377.485 2.079 20 0 GEADMM O=C1CCCc2cc(OS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)ccc21 ZINC000826480527 607603738 /nfs/dbraw/zinc/60/37/38/607603738.db2.gz FVSLXJOSLMXFPT-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM CC(C)c1nc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000824358536 607604311 /nfs/dbraw/zinc/60/43/11/607604311.db2.gz MSFIRGOWPDCSNZ-UHFFFAOYSA-N -1 1 396.473 2.107 20 0 GEADMM CC(C)c1nc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000824358536 607604312 /nfs/dbraw/zinc/60/43/12/607604312.db2.gz MSFIRGOWPDCSNZ-UHFFFAOYSA-N -1 1 396.473 2.107 20 0 GEADMM COc1cc2nc(CN[C@](C)(CNC(=O)[O-])C(C)C)[nH]c(=O)c2cc1OC ZINC000739877999 603080305 /nfs/dbraw/zinc/08/03/05/603080305.db2.gz XKTOSTGZCCLSPI-GOSISDBHSA-N -1 1 378.429 2.125 20 0 GEADMM CC(=O)c1ccc(F)cc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000824024755 607605967 /nfs/dbraw/zinc/60/59/67/607605967.db2.gz NZWRCDQQQZKIDY-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825127821 607606459 /nfs/dbraw/zinc/60/64/59/607606459.db2.gz OOVCTMNOVGYZLN-CYBMUJFWSA-N -1 1 375.429 2.305 20 0 GEADMM CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825127821 607606461 /nfs/dbraw/zinc/60/64/61/607606461.db2.gz OOVCTMNOVGYZLN-CYBMUJFWSA-N -1 1 375.429 2.305 20 0 GEADMM CC(=O)Nc1ccc(C)cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000823999543 607607916 /nfs/dbraw/zinc/60/79/16/607607916.db2.gz DUMKWCHXXFLMBN-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM CC(=O)Nc1ccc(C)cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000823999543 607607918 /nfs/dbraw/zinc/60/79/18/607607918.db2.gz DUMKWCHXXFLMBN-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM CCc1nc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000825745396 607611533 /nfs/dbraw/zinc/61/15/33/607611533.db2.gz LHYNOEUMFMALFW-UHFFFAOYSA-N -1 1 384.874 2.018 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000824426232 607614256 /nfs/dbraw/zinc/61/42/56/607614256.db2.gz CBCFJFOOLPQTSQ-NSHDSACASA-N -1 1 393.856 2.266 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000824426232 607614257 /nfs/dbraw/zinc/61/42/57/607614257.db2.gz CBCFJFOOLPQTSQ-NSHDSACASA-N -1 1 393.856 2.266 20 0 GEADMM O=C([O-])N1CC[C@@H](C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)C1 ZINC000740368735 603237796 /nfs/dbraw/zinc/23/77/96/603237796.db2.gz JYTVGQQMSAPTNZ-OAHLLOKOSA-N -1 1 388.468 2.440 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1nccs1 ZINC000824166838 607617750 /nfs/dbraw/zinc/61/77/50/607617750.db2.gz LDWQHNCDDWRQIO-UHFFFAOYSA-N -1 1 384.874 2.190 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1nccs1 ZINC000824166838 607617751 /nfs/dbraw/zinc/61/77/51/607617751.db2.gz LDWQHNCDDWRQIO-UHFFFAOYSA-N -1 1 384.874 2.190 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1nccs1 ZINC000824166032 607617804 /nfs/dbraw/zinc/61/78/04/607617804.db2.gz DONPQCUDARYEID-UHFFFAOYSA-N -1 1 384.874 2.190 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C(=O)[O-] ZINC000739449613 603355936 /nfs/dbraw/zinc/35/59/36/603355936.db2.gz ZHMNWXWGEPAYCO-MSOLQXFVSA-N -1 1 390.484 2.249 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000740706320 603383037 /nfs/dbraw/zinc/38/30/37/603383037.db2.gz GNTJMSYKYGYICV-KRWDZBQOSA-N -1 1 382.420 2.106 20 0 GEADMM CN(CCNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F)Cc1ccccc1 ZINC000739687893 603398835 /nfs/dbraw/zinc/39/88/35/603398835.db2.gz SAXXMUQPDDLLRT-UHFFFAOYSA-N -1 1 388.399 2.102 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])c2C1 ZINC000738765247 603425087 /nfs/dbraw/zinc/42/50/87/603425087.db2.gz HSXGFFOVJFVORG-CQSZACIVSA-N -1 1 390.484 2.101 20 0 GEADMM O=S(=O)(N[C@H]1CCc2c1cccc2O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489444 607631262 /nfs/dbraw/zinc/63/12/62/607631262.db2.gz PUTRLFVVLMOBNC-LBPRGKRZSA-N -1 1 391.840 2.192 20 0 GEADMM O=S(=O)(N[C@H]1CCc2c1cccc2O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489444 607631265 /nfs/dbraw/zinc/63/12/65/607631265.db2.gz PUTRLFVVLMOBNC-LBPRGKRZSA-N -1 1 391.840 2.192 20 0 GEADMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000831998598 603481829 /nfs/dbraw/zinc/48/18/29/603481829.db2.gz VFANJPKKUSGIRX-VHSXEESVSA-N -1 1 388.540 2.442 20 0 GEADMM O=C([O-])NCc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)o1 ZINC000832705686 603487233 /nfs/dbraw/zinc/48/72/33/603487233.db2.gz NQJVPUBDFBRZOS-UHFFFAOYSA-N -1 1 385.380 2.012 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CNC(=O)[O-])n[nH]2)cc1OC ZINC000829233526 603530482 /nfs/dbraw/zinc/53/04/82/603530482.db2.gz CKMGQQIBJJUTPB-ZDUSSCGKSA-N -1 1 388.424 2.356 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC(CNC(=O)[O-])CC3)n[nH]2)cc1OC ZINC000829235112 603532277 /nfs/dbraw/zinc/53/22/77/603532277.db2.gz YLTPRMFKUAYFOK-UHFFFAOYSA-N -1 1 388.424 2.214 20 0 GEADMM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825081256 603542710 /nfs/dbraw/zinc/54/27/10/603542710.db2.gz BCIIJXAGXMUYAN-OFQRWUPVSA-N -1 1 392.475 2.191 20 0 GEADMM CCCN(CC(=O)NCCc1nc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826898447 603557227 /nfs/dbraw/zinc/55/72/27/603557227.db2.gz VVXXOHTWBKIDOM-CQSZACIVSA-N -1 1 390.509 2.419 20 0 GEADMM O=C(CC1CCN(C(=O)[O-])CC1)NCC1(CN2CCOCC2)CCCCC1 ZINC000831350543 603560949 /nfs/dbraw/zinc/56/09/49/603560949.db2.gz QBWYBRIHMDAKIK-UHFFFAOYSA-N -1 1 381.517 2.165 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)c1cccc(CN2CCN(C)CC2)c1)NC(=O)[O-] ZINC000824092333 603569246 /nfs/dbraw/zinc/56/92/46/603569246.db2.gz QCIMASUWRLYEBM-IBGZPJMESA-N -1 1 390.528 2.188 20 0 GEADMM O=C([O-])NC[C@H]1CCCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000832573947 603575968 /nfs/dbraw/zinc/57/59/68/603575968.db2.gz VUJRKYSZWLIVRH-SNVBAGLBSA-N -1 1 385.346 2.252 20 0 GEADMM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(Cc3nc4cc(F)ccc4o3)C2)CC1 ZINC000832018413 603605771 /nfs/dbraw/zinc/60/57/71/603605771.db2.gz JRYDJDXWOYWYQI-ZDUSSCGKSA-N -1 1 390.415 2.001 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)NC(=O)[O-] ZINC000824080216 603607971 /nfs/dbraw/zinc/60/79/71/603607971.db2.gz YOKPHVJCGYRYFH-RBUKOAKNSA-N -1 1 391.512 2.325 20 0 GEADMM CN(C(=O)NC1CCN(Cc2ccccn2)CC1)C1CCC(NC(=O)[O-])CC1 ZINC000827788068 603620312 /nfs/dbraw/zinc/62/03/12/603620312.db2.gz WYBZUFUMVJPHKN-UHFFFAOYSA-N -1 1 389.500 2.266 20 0 GEADMM C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])N1CCc2ccccc2C1 ZINC000824939318 603682550 /nfs/dbraw/zinc/68/25/50/603682550.db2.gz KQLQXYWYZRFHFW-FMJMRLDVSA-N -1 1 386.496 2.406 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832504857 603701329 /nfs/dbraw/zinc/70/13/29/603701329.db2.gz FDPMPNLGBSNSTM-AEFFLSMTSA-N -1 1 389.500 2.172 20 0 GEADMM CN(C)C(=O)Sc1cccc(CN(C)CCN2CCN(C(=O)[O-])CC2)c1 ZINC000828316889 603737451 /nfs/dbraw/zinc/73/74/51/603737451.db2.gz WIJMCFSSKQNKQJ-UHFFFAOYSA-N -1 1 380.514 2.188 20 0 GEADMM Cc1csc([C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C2CC2)n1 ZINC000826320452 607649765 /nfs/dbraw/zinc/64/97/65/607649765.db2.gz RGWXTQLJOYGCCS-CYBMUJFWSA-N -1 1 394.457 2.200 20 0 GEADMM Cc1csc([C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C2CC2)n1 ZINC000826320452 607649767 /nfs/dbraw/zinc/64/97/67/607649767.db2.gz RGWXTQLJOYGCCS-CYBMUJFWSA-N -1 1 394.457 2.200 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)n1 ZINC000832729985 603804059 /nfs/dbraw/zinc/80/40/59/603804059.db2.gz MVQOJEOTEALXHS-UHFFFAOYSA-N -1 1 391.391 2.297 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)n[nH]1 ZINC000832729985 603804063 /nfs/dbraw/zinc/80/40/63/603804063.db2.gz MVQOJEOTEALXHS-UHFFFAOYSA-N -1 1 391.391 2.297 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H]1CNC(=O)[O-])N1CCCC1 ZINC000829598904 603888168 /nfs/dbraw/zinc/88/81/68/603888168.db2.gz RFODSXVZUCJRPF-DOTOQJQBSA-N -1 1 390.484 2.274 20 0 GEADMM CSc1ccc(F)cc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826230708 607657860 /nfs/dbraw/zinc/65/78/60/607657860.db2.gz GNFZNTGEEITKCF-UHFFFAOYSA-N -1 1 397.432 2.345 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NC1CCN(Cc3cccnc3)CC1)C2 ZINC000831305198 603896850 /nfs/dbraw/zinc/89/68/50/603896850.db2.gz VKFUSMLLFNUJEE-JLYLLQBASA-N -1 1 386.496 2.473 20 0 GEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1cccc(-c2nn[nH]n2)c1 ZINC000826420957 607658610 /nfs/dbraw/zinc/65/86/10/607658610.db2.gz LABJTKMDNHVUAU-UHFFFAOYSA-N -1 1 382.327 2.356 20 0 GEADMM COc1cccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1O ZINC000829537303 603911445 /nfs/dbraw/zinc/91/14/45/603911445.db2.gz JXNTZDZMKQDGOD-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM COc1cccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1O ZINC000829537303 603911446 /nfs/dbraw/zinc/91/14/46/603911446.db2.gz JXNTZDZMKQDGOD-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000832350324 603935774 /nfs/dbraw/zinc/93/57/74/603935774.db2.gz QGVFGYSDZMAJGR-KZNAEPCWSA-N -1 1 381.517 2.306 20 0 GEADMM CCS[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825669029 607662338 /nfs/dbraw/zinc/66/23/38/607662338.db2.gz OMLBWYWFWVTWTL-QWRGUYRKSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825669029 607662340 /nfs/dbraw/zinc/66/23/40/607662340.db2.gz OMLBWYWFWVTWTL-QWRGUYRKSA-N -1 1 385.490 2.348 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829691640 603957338 /nfs/dbraw/zinc/95/73/38/603957338.db2.gz NWYAOSQCZOKPFY-UHFFFAOYSA-N -1 1 393.396 2.490 20 0 GEADMM CCS[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825668781 607662590 /nfs/dbraw/zinc/66/25/90/607662590.db2.gz KBWCPIVIMGVCGA-NEPJUHHUSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825669430 607665709 /nfs/dbraw/zinc/66/57/09/607665709.db2.gz XTRZEKZXPGSLEE-VXGBXAGGSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825669430 607665711 /nfs/dbraw/zinc/66/57/11/607665711.db2.gz XTRZEKZXPGSLEE-VXGBXAGGSA-N -1 1 385.490 2.348 20 0 GEADMM COC(=O)c1ccccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828804329 604014818 /nfs/dbraw/zinc/01/48/18/604014818.db2.gz LGMNTQFWSHRWJA-UHFFFAOYSA-N -1 1 376.390 2.315 20 0 GEADMM CC[C@H](CO)N1CCN(C(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)CC1 ZINC000826586607 604100378 /nfs/dbraw/zinc/10/03/78/604100378.db2.gz DJJSQYVRGOHYHL-QGZVFWFLSA-N -1 1 378.473 2.107 20 0 GEADMM CCOCCC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000825590232 607671936 /nfs/dbraw/zinc/67/19/36/607671936.db2.gz QQRIVVPYQFQSJI-UHFFFAOYSA-N -1 1 397.476 2.271 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000825218259 604120653 /nfs/dbraw/zinc/12/06/53/604120653.db2.gz JJTBXQNGRWAOSA-DOTOQJQBSA-N -1 1 389.500 2.124 20 0 GEADMM C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825166849 604135117 /nfs/dbraw/zinc/13/51/17/604135117.db2.gz UZSCBIWOMMGDCX-GDBMZVCRSA-N -1 1 380.464 2.335 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)c1)C(=O)[O-] ZINC000827170088 604143580 /nfs/dbraw/zinc/14/35/80/604143580.db2.gz HPFMXNKKSWGMHS-QGZVFWFLSA-N -1 1 390.484 2.373 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C1 ZINC000825229665 604150044 /nfs/dbraw/zinc/15/00/44/604150044.db2.gz SXBDPQXYQWLLTD-UKRRQHHQSA-N -1 1 380.464 2.465 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(F)cc1 ZINC000827996549 604164505 /nfs/dbraw/zinc/16/45/05/604164505.db2.gz ZBBDEUGZFJWDLY-IKGGRYGDSA-N -1 1 378.448 2.355 20 0 GEADMM CN(C)Cc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])ccc1F ZINC000828042584 604172811 /nfs/dbraw/zinc/17/28/11/604172811.db2.gz IMDZGULTMLBONL-CVEARBPZSA-N -1 1 378.448 2.314 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000825265844 604177604 /nfs/dbraw/zinc/17/76/04/604177604.db2.gz UKQXFQVDLMOEHL-KGLIPLIRSA-N -1 1 383.876 2.203 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)CC1 ZINC000827228890 604240520 /nfs/dbraw/zinc/24/05/20/604240520.db2.gz SHICNGCXALBUAN-HNNXBMFYSA-N -1 1 375.473 2.045 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCc2cccc3cccnc32)C1 ZINC000825265240 604242528 /nfs/dbraw/zinc/24/25/28/604242528.db2.gz RDPXQYMXUDLQQX-YJBOKZPZSA-N -1 1 384.480 2.262 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000825256163 604255468 /nfs/dbraw/zinc/25/54/68/604255468.db2.gz UUXJAIKRWYEUTQ-ZIAGYGMSSA-N -1 1 383.876 2.203 20 0 GEADMM C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824686591 604296274 /nfs/dbraw/zinc/29/62/74/604296274.db2.gz RBEVECZXUYAVGT-HZPDHXFCSA-N -1 1 389.500 2.188 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)C1 ZINC000825244590 604297444 /nfs/dbraw/zinc/29/74/44/604297444.db2.gz KGGZSHPHYASCSL-GXSJLCMTSA-N -1 1 376.438 2.132 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830304636 604338088 /nfs/dbraw/zinc/33/80/88/604338088.db2.gz TWDXCCMVSLHXNH-AWEZNQCLSA-N -1 1 388.428 2.082 20 0 GEADMM CN1CCN(C(C)(C)CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000830950443 604460177 /nfs/dbraw/zinc/46/01/77/604460177.db2.gz KZXFTLMVLZDJAF-QGZVFWFLSA-N -1 1 390.528 2.164 20 0 GEADMM CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC000830237115 604471220 /nfs/dbraw/zinc/47/12/20/604471220.db2.gz HHSLQSLNLLXZOE-OAHLLOKOSA-N -1 1 389.477 2.366 20 0 GEADMM CC(C)C[C@@H](NC(=O)CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000833479331 604474013 /nfs/dbraw/zinc/47/40/13/604474013.db2.gz YRGHYAYOKFNZSM-HZPDHXFCSA-N -1 1 385.468 2.224 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000833638609 604475613 /nfs/dbraw/zinc/47/56/13/604475613.db2.gz JRTYMKBZRZWFKB-JLJPHGGASA-N -1 1 385.468 2.224 20 0 GEADMM O=C([O-])c1csc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000833150788 604484118 /nfs/dbraw/zinc/48/41/18/604484118.db2.gz JXNFVTWIRFVQNW-ZBFHGGJFSA-N -1 1 389.477 2.451 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC[C@@H]3CC(=O)[O-])cc2)C[C@H](C)O1 ZINC000828457878 604490320 /nfs/dbraw/zinc/49/03/20/604490320.db2.gz ZYPUTYCRGUOQOZ-JTDSTZFVSA-N -1 1 389.496 2.445 20 0 GEADMM O=C([O-])N[C@@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000740591113 604493321 /nfs/dbraw/zinc/49/33/21/604493321.db2.gz WSOADBSDGBVHCW-SNVBAGLBSA-N -1 1 379.214 2.321 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000830049748 604634785 /nfs/dbraw/zinc/63/47/85/604634785.db2.gz OVRWYOCAPJWMDT-MRXNPFEDSA-N -1 1 390.484 2.308 20 0 GEADMM COc1cc(-c2noc(CN3CCC[C@@H](C(=O)[O-])C3)n2)cc(OC)c1OC 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2.448 20 0 GEADMM O=C([O-])N[C@H](CNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834145521 605824340 /nfs/dbraw/zinc/82/43/40/605824340.db2.gz NWWZDQJWYWLFHA-HUUCEWRRSA-N -1 1 384.440 2.364 20 0 GEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)CCCO4)cc2C1 ZINC000834120923 605878153 /nfs/dbraw/zinc/87/81/53/605878153.db2.gz NUYNRJRYILQXSV-UHFFFAOYSA-N -1 1 389.433 2.244 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833830083 605906492 /nfs/dbraw/zinc/90/64/92/605906492.db2.gz JMBLWWYFPKDNHC-MCIONIFRSA-N -1 1 377.441 2.153 20 0 GEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000834059642 605975710 /nfs/dbraw/zinc/97/57/10/605975710.db2.gz QGXVTEHJGQAGMC-QGZVFWFLSA-N -1 1 387.480 2.362 20 0 GEADMM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000833825188 606039337 /nfs/dbraw/zinc/03/93/37/606039337.db2.gz BNGYYKYIFIQVGR-UGSOOPFHSA-N -1 1 375.404 2.444 20 0 GEADMM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000833825188 606039343 /nfs/dbraw/zinc/03/93/43/606039343.db2.gz BNGYYKYIFIQVGR-UGSOOPFHSA-N -1 1 375.404 2.444 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cn1 ZINC000834276458 606056163 /nfs/dbraw/zinc/05/61/63/606056163.db2.gz UQBHHTRXOAAWGY-UHFFFAOYSA-N -1 1 393.407 2.371 20 0 GEADMM O=C([O-])Nc1ccccc1CC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000834271462 606056236 /nfs/dbraw/zinc/05/62/36/606056236.db2.gz SWUHIELJFGCRFQ-UHFFFAOYSA-N -1 1 375.469 2.280 20 0 GEADMM Cc1cc(S(=O)(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)ccc1F ZINC000833901337 606078123 /nfs/dbraw/zinc/07/81/23/606078123.db2.gz OBEUCYVYOBAHJW-LBPRGKRZSA-N -1 1 379.413 2.455 20 0 GEADMM O=C([O-])NC[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000834211501 606094287 /nfs/dbraw/zinc/09/42/87/606094287.db2.gz XCXWWZNWQGMZOP-HZPDHXFCSA-N -1 1 383.452 2.440 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCCc2[nH]ccc21 ZINC000822005027 606118588 /nfs/dbraw/zinc/11/85/88/606118588.db2.gz NJIZILNZKGQMKJ-OAHLLOKOSA-N -1 1 381.440 2.039 20 0 GEADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000821657678 606118808 /nfs/dbraw/zinc/11/88/08/606118808.db2.gz SWZFVOXNRJDOHN-POHAHGRESA-N -1 1 399.432 2.162 20 0 GEADMM CSc1ccncc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821989237 606118928 /nfs/dbraw/zinc/11/89/28/606118928.db2.gz IXZVIKUQVUMPGV-UHFFFAOYSA-N -1 1 385.453 2.272 20 0 GEADMM O=C(OCc1nc(CCc2ccccc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440506 606133500 /nfs/dbraw/zinc/13/35/00/606133500.db2.gz XAOGHDXYGDXAGC-UHFFFAOYSA-N -1 1 382.405 2.453 20 0 GEADMM O=C(OCc1nc(CCc2ccccc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440506 606133502 /nfs/dbraw/zinc/13/35/02/606133502.db2.gz XAOGHDXYGDXAGC-UHFFFAOYSA-N -1 1 382.405 2.453 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCc2sccc2C1 ZINC000820508296 606133760 /nfs/dbraw/zinc/13/37/60/606133760.db2.gz ODRAWOYWVYUPJY-SECBINFHSA-N -1 1 389.462 2.120 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCc2sccc2C1 ZINC000820508296 606133762 /nfs/dbraw/zinc/13/37/62/606133762.db2.gz ODRAWOYWVYUPJY-SECBINFHSA-N -1 1 389.462 2.120 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820507638 606135304 /nfs/dbraw/zinc/13/53/04/606135304.db2.gz JAOCOAMUWRXACC-MNOVXSKESA-N -1 1 383.433 2.451 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820507638 606135306 /nfs/dbraw/zinc/13/53/06/606135306.db2.gz JAOCOAMUWRXACC-MNOVXSKESA-N -1 1 383.433 2.451 20 0 GEADMM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819835215 606135376 /nfs/dbraw/zinc/13/53/76/606135376.db2.gz TWOZRZQTYSHCPO-JTQLQIEISA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819835215 606135378 /nfs/dbraw/zinc/13/53/78/606135378.db2.gz TWOZRZQTYSHCPO-JTQLQIEISA-N -1 1 385.405 2.315 20 0 GEADMM O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823391887 606136151 /nfs/dbraw/zinc/13/61/51/606136151.db2.gz HZEKJPLNAYQDSR-GFCCVEGCSA-N -1 1 387.396 2.420 20 0 GEADMM O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823391887 606136152 /nfs/dbraw/zinc/13/61/52/606136152.db2.gz HZEKJPLNAYQDSR-GFCCVEGCSA-N -1 1 387.396 2.420 20 0 GEADMM COc1ccc(-c2noc(COC(=O)c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000821766549 606136685 /nfs/dbraw/zinc/13/66/85/606136685.db2.gz YKSVQAYNNWEBAW-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM COc1ccc(-c2noc(COC(=O)c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000821766549 606136686 /nfs/dbraw/zinc/13/66/86/606136686.db2.gz YKSVQAYNNWEBAW-UHFFFAOYSA-N -1 1 384.377 2.344 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820507342 606136950 /nfs/dbraw/zinc/13/69/50/606136950.db2.gz GXSUASSQYLAUIP-JTQLQIEISA-N -1 1 389.412 2.271 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820507342 606136952 /nfs/dbraw/zinc/13/69/52/606136952.db2.gz GXSUASSQYLAUIP-JTQLQIEISA-N -1 1 389.412 2.271 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(C)o1 ZINC000821683860 606144546 /nfs/dbraw/zinc/14/45/46/606144546.db2.gz MCYSDFQQDNBDAN-CYBMUJFWSA-N -1 1 397.844 2.088 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1nccs1 ZINC000823600913 606147105 /nfs/dbraw/zinc/14/71/05/606147105.db2.gz MELLSPJERBMHKB-ZDUSSCGKSA-N -1 1 394.457 2.378 20 0 GEADMM CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821614545 606158656 /nfs/dbraw/zinc/15/86/56/606158656.db2.gz KJDXYLDIBAZXDA-UHFFFAOYSA-N -1 1 380.334 2.283 20 0 GEADMM CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821614545 606158657 /nfs/dbraw/zinc/15/86/57/606158657.db2.gz KJDXYLDIBAZXDA-UHFFFAOYSA-N -1 1 380.334 2.283 20 0 GEADMM Cc1nc([C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)sc1C ZINC000822436036 606158838 /nfs/dbraw/zinc/15/88/38/606158838.db2.gz GCHZRDGLVJPPGP-LLVKDONJSA-N -1 1 387.473 2.085 20 0 GEADMM Cc1nc([C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)sc1C ZINC000822436036 606158839 /nfs/dbraw/zinc/15/88/39/606158839.db2.gz GCHZRDGLVJPPGP-LLVKDONJSA-N -1 1 387.473 2.085 20 0 GEADMM COc1cccc(C2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1 ZINC000821863081 606163835 /nfs/dbraw/zinc/16/38/35/606163835.db2.gz HPTPQYJRDVBBTF-UHFFFAOYSA-N -1 1 382.428 2.020 20 0 GEADMM COc1cccc(C2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1 ZINC000821863081 606163836 /nfs/dbraw/zinc/16/38/36/606163836.db2.gz HPTPQYJRDVBBTF-UHFFFAOYSA-N -1 1 382.428 2.020 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000822609679 606168684 /nfs/dbraw/zinc/16/86/84/606168684.db2.gz UTHQQKDLBUTHQN-ZDUSSCGKSA-N -1 1 391.439 2.493 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000822609679 606168686 /nfs/dbraw/zinc/16/86/86/606168686.db2.gz UTHQQKDLBUTHQN-ZDUSSCGKSA-N -1 1 391.439 2.493 20 0 GEADMM CN(Cc1cccc(Br)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821613434 606170919 /nfs/dbraw/zinc/17/09/19/606170919.db2.gz NGQAGFROCNPWOR-UHFFFAOYSA-N -1 1 391.233 2.027 20 0 GEADMM CN(Cc1cccc(Br)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821613434 606170921 /nfs/dbraw/zinc/17/09/21/606170921.db2.gz NGQAGFROCNPWOR-UHFFFAOYSA-N -1 1 391.233 2.027 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361456 606172726 /nfs/dbraw/zinc/17/27/26/606172726.db2.gz UYKUQJCFUNCNTJ-ZIAGYGMSSA-N -1 1 388.476 2.192 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361456 606172729 /nfs/dbraw/zinc/17/27/29/606172729.db2.gz UYKUQJCFUNCNTJ-ZIAGYGMSSA-N -1 1 388.476 2.192 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)n1 ZINC000822620600 606186703 /nfs/dbraw/zinc/18/67/03/606186703.db2.gz YNQQYJXOWPGPFJ-UHFFFAOYSA-N -1 1 378.371 2.417 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)n1 ZINC000822620600 606186704 /nfs/dbraw/zinc/18/67/04/606186704.db2.gz YNQQYJXOWPGPFJ-UHFFFAOYSA-N -1 1 378.371 2.417 20 0 GEADMM COc1cc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc(OC)c1OC ZINC000821711871 606195156 /nfs/dbraw/zinc/19/51/56/606195156.db2.gz AYVVNBRTACFEES-UHFFFAOYSA-N -1 1 399.407 2.169 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000823294771 606195564 /nfs/dbraw/zinc/19/55/64/606195564.db2.gz QSGUFHMAOHNEDT-HNNXBMFYSA-N -1 1 381.392 2.382 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000823294772 606195573 /nfs/dbraw/zinc/19/55/73/606195573.db2.gz QSGUFHMAOHNEDT-OAHLLOKOSA-N -1 1 381.392 2.382 20 0 GEADMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000820667729 606195687 /nfs/dbraw/zinc/19/56/87/606195687.db2.gz NRTZOGNBKWBCPT-YGRLFVJLSA-N -1 1 378.392 2.419 20 0 GEADMM O=C(NC1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1cc(F)ccc1[O-] ZINC000823155683 606197340 /nfs/dbraw/zinc/19/73/40/606197340.db2.gz WRUMFJYAAAUFEF-UHFFFAOYSA-N -1 1 382.399 2.110 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C[C@H](C)O2 ZINC000822280370 606202554 /nfs/dbraw/zinc/20/25/54/606202554.db2.gz LIYDSTTXTYNIKK-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C[C@H](C)O2 ZINC000822280370 606202555 /nfs/dbraw/zinc/20/25/55/606202555.db2.gz LIYDSTTXTYNIKK-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823397502 606206106 /nfs/dbraw/zinc/20/61/06/606206106.db2.gz WKBIURPKDBLWBZ-AWEZNQCLSA-N -1 1 397.460 2.176 20 0 GEADMM Cc1nsc(N(C)C(=O)c2cncc(Br)c2)c1-c1nnn[n-]1 ZINC000822530504 606237074 /nfs/dbraw/zinc/23/70/74/606237074.db2.gz DTMHNGXYIKBCJO-UHFFFAOYSA-N -1 1 380.231 2.066 20 0 GEADMM Cc1nsc(N(C)C(=O)c2cncc(Br)c2)c1-c1nn[n-]n1 ZINC000822530504 606237075 /nfs/dbraw/zinc/23/70/75/606237075.db2.gz DTMHNGXYIKBCJO-UHFFFAOYSA-N -1 1 380.231 2.066 20 0 GEADMM CCn1cc(Br)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821565353 606296419 /nfs/dbraw/zinc/29/64/19/606296419.db2.gz OZDLXPCCWYTETI-UHFFFAOYSA-N -1 1 377.202 2.409 20 0 GEADMM COCCn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc21 ZINC000821695000 606296855 /nfs/dbraw/zinc/29/68/55/606296855.db2.gz DICQJFWIGCBDKV-UHFFFAOYSA-N -1 1 378.392 2.426 20 0 GEADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819796376 606297168 /nfs/dbraw/zinc/29/71/68/606297168.db2.gz GTRZLRGMBGPTMX-KRWDZBQOSA-N -1 1 392.419 2.047 20 0 GEADMM CC[C@H](C)CN(CC)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820870065 606300635 /nfs/dbraw/zinc/30/06/35/606300635.db2.gz MLQGCSUYFZJWOV-LBPRGKRZSA-N -1 1 384.488 2.353 20 0 GEADMM CC[C@H](C)CN(CC)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820870065 606300637 /nfs/dbraw/zinc/30/06/37/606300637.db2.gz MLQGCSUYFZJWOV-LBPRGKRZSA-N -1 1 384.488 2.353 20 0 GEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000481979867 606330194 /nfs/dbraw/zinc/33/01/94/606330194.db2.gz VOUNARRUVDJXTG-UHFFFAOYSA-N -1 1 392.828 2.279 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCCSC2)c1-c1nn[n-]n1 ZINC000821988620 606364607 /nfs/dbraw/zinc/36/46/07/606364607.db2.gz FRGCGPUMKPHYBU-JTQLQIEISA-N -1 1 376.511 2.486 20 0 GEADMM CC(=O)Oc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1 ZINC000819827050 606391780 /nfs/dbraw/zinc/39/17/80/606391780.db2.gz PUYXKILODPZOSC-MDWZMJQESA-N -1 1 381.373 2.198 20 0 GEADMM COC(=O)CCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821660472 606391841 /nfs/dbraw/zinc/39/18/41/606391841.db2.gz SNBXUCBRLAVUOQ-UHFFFAOYSA-N -1 1 386.412 2.022 20 0 GEADMM COC(=O)CCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821660472 606391843 /nfs/dbraw/zinc/39/18/43/606391843.db2.gz SNBXUCBRLAVUOQ-UHFFFAOYSA-N -1 1 386.412 2.022 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823600871 606436204 /nfs/dbraw/zinc/43/62/04/606436204.db2.gz LNYNVLBHQPFJDX-INIZCTEOSA-N -1 1 388.428 2.317 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823600871 606436206 /nfs/dbraw/zinc/43/62/06/606436206.db2.gz LNYNVLBHQPFJDX-INIZCTEOSA-N -1 1 388.428 2.317 20 0 GEADMM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000822192131 606437053 /nfs/dbraw/zinc/43/70/53/606437053.db2.gz ZXZNGZWUNUJPQC-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM CNC(=O)c1ccc(CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000821635367 606448897 /nfs/dbraw/zinc/44/88/97/606448897.db2.gz ZCINWMRVTLENKN-UHFFFAOYSA-N -1 1 383.843 2.444 20 0 GEADMM CNC(=O)c1ccc(CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000821635367 606448898 /nfs/dbraw/zinc/44/88/98/606448898.db2.gz ZCINWMRVTLENKN-UHFFFAOYSA-N -1 1 383.843 2.444 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000819940021 606458096 /nfs/dbraw/zinc/45/80/96/606458096.db2.gz NPAWUVYJKQPJCJ-JTQLQIEISA-N -1 1 379.852 2.409 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000819940021 606458097 /nfs/dbraw/zinc/45/80/97/606458097.db2.gz NPAWUVYJKQPJCJ-JTQLQIEISA-N -1 1 379.852 2.409 20 0 GEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccc(O)cc1 ZINC000821640653 606466364 /nfs/dbraw/zinc/46/63/64/606466364.db2.gz MCAKFUOOSOMSSN-NSHDSACASA-N -1 1 388.815 2.065 20 0 GEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccc(O)cc1 ZINC000821640653 606466365 /nfs/dbraw/zinc/46/63/65/606466365.db2.gz MCAKFUOOSOMSSN-NSHDSACASA-N -1 1 388.815 2.065 20 0 GEADMM C[C@@H](N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1)C(F)(F)F ZINC000820308169 606469953 /nfs/dbraw/zinc/46/99/53/606469953.db2.gz SKEJLDHKZNBYEX-LLVKDONJSA-N -1 1 377.374 2.488 20 0 GEADMM C[C@@H](N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1)C(F)(F)F ZINC000820308169 606469955 /nfs/dbraw/zinc/46/99/55/606469955.db2.gz SKEJLDHKZNBYEX-LLVKDONJSA-N -1 1 377.374 2.488 20 0 GEADMM CCN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821230293 606472256 /nfs/dbraw/zinc/47/22/56/606472256.db2.gz FSIBYXGIEUQCCW-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM CCN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821230293 606472257 /nfs/dbraw/zinc/47/22/57/606472257.db2.gz FSIBYXGIEUQCCW-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nccn1C ZINC000821883342 606498586 /nfs/dbraw/zinc/49/85/86/606498586.db2.gz TWXFBASUHPZLFV-HNNXBMFYSA-N -1 1 395.448 2.190 20 0 GEADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nccn1C ZINC000821883342 606498588 /nfs/dbraw/zinc/49/85/88/606498588.db2.gz TWXFBASUHPZLFV-HNNXBMFYSA-N -1 1 395.448 2.190 20 0 GEADMM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)nc1 ZINC000822242150 606515381 /nfs/dbraw/zinc/51/53/81/606515381.db2.gz BROQBGGRUSXAFN-GFCCVEGCSA-N -1 1 397.464 2.123 20 0 GEADMM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)nc1 ZINC000822242150 606515382 /nfs/dbraw/zinc/51/53/82/606515382.db2.gz BROQBGGRUSXAFN-GFCCVEGCSA-N -1 1 397.464 2.123 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000823483647 606522041 /nfs/dbraw/zinc/52/20/41/606522041.db2.gz KMRXOHQRKVFSOE-UHFFFAOYSA-N -1 1 395.448 2.461 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000823483647 606522042 /nfs/dbraw/zinc/52/20/42/606522042.db2.gz KMRXOHQRKVFSOE-UHFFFAOYSA-N -1 1 395.448 2.461 20 0 GEADMM Cn1cnnc1Sc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822705065 606523573 /nfs/dbraw/zinc/52/35/73/606523573.db2.gz URGKPLSMHVXJDH-UHFFFAOYSA-N -1 1 384.450 2.460 20 0 GEADMM Cn1cnnc1Sc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822705065 606523575 /nfs/dbraw/zinc/52/35/75/606523575.db2.gz URGKPLSMHVXJDH-UHFFFAOYSA-N -1 1 384.450 2.460 20 0 GEADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC000820703379 606525929 /nfs/dbraw/zinc/52/59/29/606525929.db2.gz FCXUIINGJQISNK-LBPRGKRZSA-N -1 1 388.497 2.039 20 0 GEADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC000820703379 606525930 /nfs/dbraw/zinc/52/59/30/606525930.db2.gz FCXUIINGJQISNK-LBPRGKRZSA-N -1 1 388.497 2.039 20 0 GEADMM O=C(COc1ccc(Br)cc1Cl)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823040159 606532862 /nfs/dbraw/zinc/53/28/62/606532862.db2.gz DUTLORPYFZRPKX-UHFFFAOYSA-N -1 1 398.608 2.023 20 0 GEADMM O=C(COc1ccc(Br)cc1Cl)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823040159 606532864 /nfs/dbraw/zinc/53/28/64/606532864.db2.gz DUTLORPYFZRPKX-UHFFFAOYSA-N -1 1 398.608 2.023 20 0 GEADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)c1ccsc1 ZINC000823149984 606534094 /nfs/dbraw/zinc/53/40/94/606534094.db2.gz JNHHNTPVYSAVFP-UHFFFAOYSA-N -1 1 388.478 2.024 20 0 GEADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)c1ccsc1 ZINC000823149984 606534096 /nfs/dbraw/zinc/53/40/96/606534096.db2.gz JNHHNTPVYSAVFP-UHFFFAOYSA-N -1 1 388.478 2.024 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820389862 606545593 /nfs/dbraw/zinc/54/55/93/606545593.db2.gz AHQKABBVAJXYPH-VIFPVBQESA-N -1 1 396.798 2.456 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000820389862 606545596 /nfs/dbraw/zinc/54/55/96/606545596.db2.gz AHQKABBVAJXYPH-VIFPVBQESA-N -1 1 396.798 2.456 20 0 GEADMM Cn1cc(C(=O)Nc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)cn1 ZINC000822668659 606549446 /nfs/dbraw/zinc/54/94/46/606549446.db2.gz CXSNTBGTUXIQPI-UHFFFAOYSA-N -1 1 395.404 2.133 20 0 GEADMM Cn1cc(C(=O)Nc2ccc(OC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)cn1 ZINC000822668659 606549448 /nfs/dbraw/zinc/54/94/48/606549448.db2.gz CXSNTBGTUXIQPI-UHFFFAOYSA-N -1 1 395.404 2.133 20 0 GEADMM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821662919 606554929 /nfs/dbraw/zinc/55/49/29/606554929.db2.gz ZFEIBXZUEBNGRN-UHFFFAOYSA-N -1 1 393.375 2.022 20 0 GEADMM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821662919 606554930 /nfs/dbraw/zinc/55/49/30/606554930.db2.gz ZFEIBXZUEBNGRN-UHFFFAOYSA-N -1 1 393.375 2.022 20 0 GEADMM Cc1csc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@@H]2C)n1 ZINC000822414430 606568817 /nfs/dbraw/zinc/56/88/17/606568817.db2.gz FNJIWIZVPFBVBH-JTQLQIEISA-N -1 1 375.483 2.044 20 0 GEADMM Cc1csc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)n1 ZINC000822414430 606568819 /nfs/dbraw/zinc/56/88/19/606568819.db2.gz FNJIWIZVPFBVBH-JTQLQIEISA-N -1 1 375.483 2.044 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000822541733 606584907 /nfs/dbraw/zinc/58/49/07/606584907.db2.gz PUJATOSTISSXAE-CJNGLKHVSA-N -1 1 384.440 2.350 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000822541733 606584908 /nfs/dbraw/zinc/58/49/08/606584908.db2.gz PUJATOSTISSXAE-CJNGLKHVSA-N -1 1 384.440 2.350 20 0 GEADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000823487462 606592290 /nfs/dbraw/zinc/59/22/90/606592290.db2.gz CWBYQTHENSOSEF-UHFFFAOYSA-N -1 1 391.431 2.236 20 0 GEADMM O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166833 606593851 /nfs/dbraw/zinc/59/38/51/606593851.db2.gz QMOVTKCKMOYRSF-SNVBAGLBSA-N -1 1 399.354 2.290 20 0 GEADMM O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166833 606593853 /nfs/dbraw/zinc/59/38/53/606593853.db2.gz QMOVTKCKMOYRSF-SNVBAGLBSA-N -1 1 399.354 2.290 20 0 GEADMM Cc1nn(Cc2csc(CCc3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822505266 606601107 /nfs/dbraw/zinc/60/11/07/606601107.db2.gz FWOPPOUBRLRAIP-UHFFFAOYSA-N -1 1 393.476 2.330 20 0 GEADMM CO[C@H]1C[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1(C)C ZINC000821678444 606605898 /nfs/dbraw/zinc/60/58/98/606605898.db2.gz NTZHELNTWRZPTQ-STQMWFEESA-N -1 1 388.497 2.404 20 0 GEADMM O=C(Cc1csc(-c2ccccn2)n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823119000 606647711 /nfs/dbraw/zinc/64/77/11/606647711.db2.gz ZQLPSYCBSRHADN-UHFFFAOYSA-N -1 1 379.405 2.066 20 0 GEADMM O=C(Cc1csc(-c2ccccn2)n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823119000 606647712 /nfs/dbraw/zinc/64/77/12/606647712.db2.gz ZQLPSYCBSRHADN-UHFFFAOYSA-N -1 1 379.405 2.066 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820860564 606650428 /nfs/dbraw/zinc/65/04/28/606650428.db2.gz KAMOOEOYGZDFFG-DYVFJYSZSA-N -1 1 394.435 2.150 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820860564 606650429 /nfs/dbraw/zinc/65/04/29/606650429.db2.gz KAMOOEOYGZDFFG-DYVFJYSZSA-N -1 1 394.435 2.150 20 0 GEADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154603 606690591 /nfs/dbraw/zinc/69/05/91/606690591.db2.gz HKUVCWNTIYPEGU-VIFPVBQESA-N -1 1 376.392 2.215 20 0 GEADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154603 606690592 /nfs/dbraw/zinc/69/05/92/606690592.db2.gz HKUVCWNTIYPEGU-VIFPVBQESA-N -1 1 376.392 2.215 20 0 GEADMM CCOC(=O)COCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000821330808 606693247 /nfs/dbraw/zinc/69/32/47/606693247.db2.gz SRZQQGWESZPVNW-UHFFFAOYSA-N -1 1 391.375 2.261 20 0 GEADMM O=C(Nc1cccn(Cc2ccccc2)c1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823372897 606694421 /nfs/dbraw/zinc/69/44/21/606694421.db2.gz MVXPDMHDADPANX-UHFFFAOYSA-N -1 1 378.417 2.391 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000821971268 606698201 /nfs/dbraw/zinc/69/82/01/606698201.db2.gz ZWTHHCXVQBGCFJ-LJQANCHMSA-N -1 1 396.476 2.493 20 0 GEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2Cl)c1 ZINC000821671165 606712662 /nfs/dbraw/zinc/71/26/62/606712662.db2.gz KOPAENWKMZHEEB-UHFFFAOYSA-N -1 1 399.841 2.169 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOc2ccc(F)cc21 ZINC000823606257 606713664 /nfs/dbraw/zinc/71/36/64/606713664.db2.gz HSBVJAPZTDHJEF-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOc2ccc(F)cc21 ZINC000823606257 606713665 /nfs/dbraw/zinc/71/36/65/606713665.db2.gz HSBVJAPZTDHJEF-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1c(F)cccc1F ZINC000823510820 606734276 /nfs/dbraw/zinc/73/42/76/606734276.db2.gz AJKCNAOTQUDKQO-LLVKDONJSA-N -1 1 391.769 2.411 20 0 GEADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1c(F)cccc1F ZINC000823510820 606734279 /nfs/dbraw/zinc/73/42/79/606734279.db2.gz AJKCNAOTQUDKQO-LLVKDONJSA-N -1 1 391.769 2.411 20 0 GEADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820995789 606764875 /nfs/dbraw/zinc/76/48/75/606764875.db2.gz YEXCFZSUJRZIOU-GFCCVEGCSA-N -1 1 389.412 2.372 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c1cccc2Cl ZINC000823600644 606765785 /nfs/dbraw/zinc/76/57/85/606765785.db2.gz JSHKQJCBMGFHEH-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM CCO[C@H](CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(C)C ZINC000821351232 606766291 /nfs/dbraw/zinc/76/62/91/606766291.db2.gz NOCBPCZVMUPILF-GFCCVEGCSA-N -1 1 379.417 2.009 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1csc(C(C)(C)C)n1 ZINC000820804003 606785330 /nfs/dbraw/zinc/78/53/30/606785330.db2.gz KZAODSUYHCRGQG-GFCCVEGCSA-N -1 1 399.528 2.121 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1csc(C(C)(C)C)n1 ZINC000820804003 606785332 /nfs/dbraw/zinc/78/53/32/606785332.db2.gz KZAODSUYHCRGQG-GFCCVEGCSA-N -1 1 399.528 2.121 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C2CCOCC2)c1-c1nn[n-]n1 ZINC000821989414 606804868 /nfs/dbraw/zinc/80/48/68/606804868.db2.gz KVOBWECXIIPRGK-JTQLQIEISA-N -1 1 388.497 2.406 20 0 GEADMM CCOc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1OC(F)F ZINC000821431093 606805644 /nfs/dbraw/zinc/80/56/44/606805644.db2.gz LWYRNUFBESNDJH-UHFFFAOYSA-N -1 1 390.350 2.192 20 0 GEADMM CCOc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1OC(F)F ZINC000821431093 606805645 /nfs/dbraw/zinc/80/56/45/606805645.db2.gz LWYRNUFBESNDJH-UHFFFAOYSA-N -1 1 390.350 2.192 20 0 GEADMM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820876385 606835640 /nfs/dbraw/zinc/83/56/40/606835640.db2.gz PPBUTICZNLRKET-GFCCVEGCSA-N -1 1 384.444 2.408 20 0 GEADMM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820876385 606835642 /nfs/dbraw/zinc/83/56/42/606835642.db2.gz PPBUTICZNLRKET-GFCCVEGCSA-N -1 1 384.444 2.408 20 0 GEADMM Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822352431 606843915 /nfs/dbraw/zinc/84/39/15/606843915.db2.gz ZMYUSVFPDXSRHA-ZDUSSCGKSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822427318 606844513 /nfs/dbraw/zinc/84/45/13/606844513.db2.gz JGROICFLMCLPTO-SECBINFHSA-N -1 1 396.473 2.461 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823606196 606845583 /nfs/dbraw/zinc/84/55/83/606845583.db2.gz GHFJERZVYWCQSH-OLZOCXBDSA-N -1 1 383.474 2.055 20 0 GEADMM CC[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820903479 606854888 /nfs/dbraw/zinc/85/48/88/606854888.db2.gz VNPWXRZALGJBTB-HOCLYGCPSA-N -1 1 398.515 2.300 20 0 GEADMM CC[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820903479 606854889 /nfs/dbraw/zinc/85/48/89/606854889.db2.gz VNPWXRZALGJBTB-HOCLYGCPSA-N -1 1 398.515 2.300 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC[C@@H]2CCCO2)c1 ZINC000822238675 606869779 /nfs/dbraw/zinc/86/97/79/606869779.db2.gz QDFZINLNUSMYPS-INIZCTEOSA-N -1 1 394.435 2.058 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC[C@@H]2CCCO2)c1 ZINC000822238675 606869780 /nfs/dbraw/zinc/86/97/80/606869780.db2.gz QDFZINLNUSMYPS-INIZCTEOSA-N -1 1 394.435 2.058 20 0 GEADMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822340814 606890503 /nfs/dbraw/zinc/89/05/03/606890503.db2.gz IVENKULEJHNYIY-OAHLLOKOSA-N -1 1 391.403 2.419 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(O[C@H]2CCOC2)c1 ZINC000822238520 606956353 /nfs/dbraw/zinc/95/63/53/606956353.db2.gz KTJBDLSEVFRBMJ-ZDUSSCGKSA-N -1 1 385.449 2.334 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(O[C@H]2CCOC2)c1 ZINC000822238520 606956354 /nfs/dbraw/zinc/95/63/54/606956354.db2.gz KTJBDLSEVFRBMJ-ZDUSSCGKSA-N -1 1 385.449 2.334 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)COC/C=C\c2ccccc2)n1 ZINC000819971611 606958666 /nfs/dbraw/zinc/95/86/66/606958666.db2.gz OFMWVOSECQTSMH-YFHOEESVSA-N -1 1 381.440 2.487 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)COC/C=C\c2ccccc2)n1 ZINC000819971611 606958667 /nfs/dbraw/zinc/95/86/67/606958667.db2.gz OFMWVOSECQTSMH-YFHOEESVSA-N -1 1 381.440 2.487 20 0 GEADMM Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822299575 607006349 /nfs/dbraw/zinc/00/63/49/607006349.db2.gz NLMNXRBFWGYZMA-MRXNPFEDSA-N -1 1 388.428 2.235 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1-c1nn[n-]n1 ZINC000821971246 607159568 /nfs/dbraw/zinc/15/95/68/607159568.db2.gz ZMWKDAOQPGOCKZ-CQSZACIVSA-N -1 1 397.464 2.370 20 0 GEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2c(C)ccc3ccccc32)c1 ZINC000821667186 607160911 /nfs/dbraw/zinc/16/09/11/607160911.db2.gz YVXHUNJKHRBRKR-UHFFFAOYSA-N -1 1 375.388 2.325 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CC2CCC1CC2 ZINC000822459802 607167769 /nfs/dbraw/zinc/16/77/69/607167769.db2.gz XFXOVTKRTVFBCI-KVULBXGLSA-N -1 1 394.483 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC2CCC1CC2 ZINC000822459802 607167771 /nfs/dbraw/zinc/16/77/71/607167771.db2.gz XFXOVTKRTVFBCI-KVULBXGLSA-N -1 1 394.483 2.154 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000822535220 607185462 /nfs/dbraw/zinc/18/54/62/607185462.db2.gz JWVCKRZDPIFKPX-DGCLKSJQSA-N -1 1 396.407 2.394 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000822535220 607185463 /nfs/dbraw/zinc/18/54/63/607185463.db2.gz JWVCKRZDPIFKPX-DGCLKSJQSA-N -1 1 396.407 2.394 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000823126358 607213106 /nfs/dbraw/zinc/21/31/06/607213106.db2.gz IZTJDTBCXBGISQ-MRXNPFEDSA-N -1 1 380.456 2.286 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000823132084 607213115 /nfs/dbraw/zinc/21/31/15/607213115.db2.gz YWSSRONGQAIFDC-UHFFFAOYSA-N -1 1 394.826 2.095 20 0 GEADMM Cc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCC(C)CC1 ZINC000822351549 607216823 /nfs/dbraw/zinc/21/68/23/607216823.db2.gz OFKLUMDNSRGFBJ-RWKZGTHUSA-N -1 1 394.483 2.450 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000823127288 607217857 /nfs/dbraw/zinc/21/78/57/607217857.db2.gz YYVRHFKIYZTQHI-CQSZACIVSA-N -1 1 386.847 2.256 20 0 GEADMM Cc1ccc(SCC(F)(F)F)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822266816 607218493 /nfs/dbraw/zinc/21/84/93/607218493.db2.gz KAQSSNGDTBGGTG-UHFFFAOYSA-N -1 1 398.374 2.060 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(CSC2CCCC2)c1 ZINC000823136268 607218942 /nfs/dbraw/zinc/21/89/42/607218942.db2.gz RKKUSCWBNCHTKU-UHFFFAOYSA-N -1 1 384.469 2.273 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826231262 607779154 /nfs/dbraw/zinc/77/91/54/607779154.db2.gz DOSQZAYIJAPDHG-ZYHUDNBSSA-N -1 1 388.497 2.237 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cccc(Br)c1OC(F)F ZINC000826501274 607784425 /nfs/dbraw/zinc/78/44/25/607784425.db2.gz IICZGGBZPSXQJM-UHFFFAOYSA-N -1 1 398.167 2.441 20 0 GEADMM CN(CCCOc1ccccc1)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825923698 607863622 /nfs/dbraw/zinc/86/36/22/607863622.db2.gz RYNNMFPQFIJVGF-UHFFFAOYSA-N -1 1 385.399 2.312 20 0 GEADMM CN(CCCOc1ccccc1)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825923698 607863623 /nfs/dbraw/zinc/86/36/23/607863623.db2.gz RYNNMFPQFIJVGF-UHFFFAOYSA-N -1 1 385.399 2.312 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCOc1cccc(Cl)c1 ZINC000826418653 607864665 /nfs/dbraw/zinc/86/46/65/607864665.db2.gz PZNJTNDPBDBRSI-UHFFFAOYSA-N -1 1 391.790 2.233 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCOc1cccc(Cl)c1 ZINC000826418653 607864666 /nfs/dbraw/zinc/86/46/66/607864666.db2.gz PZNJTNDPBDBRSI-UHFFFAOYSA-N -1 1 391.790 2.233 20 0 GEADMM Cc1cccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1C ZINC000826299449 607865224 /nfs/dbraw/zinc/86/52/24/607865224.db2.gz FZNMFEVBKVRJJE-UHFFFAOYSA-N -1 1 384.371 2.350 20 0 GEADMM Cc1cccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1C ZINC000826299449 607865225 /nfs/dbraw/zinc/86/52/25/607865225.db2.gz FZNMFEVBKVRJJE-UHFFFAOYSA-N -1 1 384.371 2.350 20 0 GEADMM CCOC(=O)c1ccccc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825565594 607865975 /nfs/dbraw/zinc/86/59/75/607865975.db2.gz WFQZTMFSDWCRMG-UHFFFAOYSA-N -1 1 385.355 2.200 20 0 GEADMM CCOC(=O)c1ccccc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825565594 607865976 /nfs/dbraw/zinc/86/59/76/607865976.db2.gz WFQZTMFSDWCRMG-UHFFFAOYSA-N -1 1 385.355 2.200 20 0 GEADMM c1coc(Cn2c(Sc3cccc(-c4nnn[n-]4)n3)nnc2N2CCCC2)c1 ZINC000826517795 607896138 /nfs/dbraw/zinc/89/61/38/607896138.db2.gz OXKDGXIWCBWMLX-UHFFFAOYSA-N -1 1 395.452 2.246 20 0 GEADMM c1coc(Cn2c(Sc3cccc(-c4nn[n-]n4)n3)nnc2N2CCCC2)c1 ZINC000826517795 607896139 /nfs/dbraw/zinc/89/61/39/607896139.db2.gz OXKDGXIWCBWMLX-UHFFFAOYSA-N -1 1 395.452 2.246 20 0 GEADMM Cn1cc(COC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)nn1 ZINC000826362267 607995144 /nfs/dbraw/zinc/99/51/44/607995144.db2.gz LABRYBSPRDWOEW-UHFFFAOYSA-N -1 1 395.354 2.284 20 0 GEADMM Cn1cc(COC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)nn1 ZINC000826362267 607995145 /nfs/dbraw/zinc/99/51/45/607995145.db2.gz LABRYBSPRDWOEW-UHFFFAOYSA-N -1 1 395.354 2.284 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824107951 607997816 /nfs/dbraw/zinc/99/78/16/607997816.db2.gz AAUPMVCFAGVXBB-VXGBXAGGSA-N -1 1 388.428 2.204 20 0 GEADMM Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000826305693 607997939 /nfs/dbraw/zinc/99/79/39/607997939.db2.gz GCDDMNLYCVCHGW-QGZVFWFLSA-N -1 1 394.435 2.274 20 0 GEADMM O=C(CN[C@H](c1ccccc1)C(F)(F)F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826412530 607998236 /nfs/dbraw/zinc/99/82/36/607998236.db2.gz ROMDNSXYOMWUDS-OAHLLOKOSA-N -1 1 392.341 2.404 20 0 GEADMM CC(C)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000824064419 607998328 /nfs/dbraw/zinc/99/83/28/607998328.db2.gz HKBXJKXKQYHKJW-UHFFFAOYSA-N -1 1 381.392 2.260 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1-c1nn[n-]n1 ZINC000826229545 608037458 /nfs/dbraw/zinc/03/74/58/608037458.db2.gz IMCLCKGMMZILFR-UHFFFAOYSA-N -1 1 384.421 2.453 20 0 GEADMM CCC(CC)[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825094783 608054028 /nfs/dbraw/zinc/05/40/28/608054028.db2.gz BOFDYRRKUDAVSN-GFCCVEGCSA-N -1 1 387.488 2.453 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)Nc2nc3cc[nH]cc-3n2)c1-c1nn[n-]n1 ZINC000826231461 608077020 /nfs/dbraw/zinc/07/70/20/608077020.db2.gz MHDUPPLHOFSQCZ-UHFFFAOYSA-N -1 1 393.436 2.385 20 0 GEADMM CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824080582 608111320 /nfs/dbraw/zinc/11/13/20/608111320.db2.gz YDWUQJWORPFEPE-GWCFXTLKSA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824080582 608111321 /nfs/dbraw/zinc/11/13/21/608111321.db2.gz YDWUQJWORPFEPE-GWCFXTLKSA-N -1 1 399.904 2.392 20 0 GEADMM CCC[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)C ZINC000825225209 608117454 /nfs/dbraw/zinc/11/74/54/608117454.db2.gz OEIVUNTUFXUBND-CQSZACIVSA-N -1 1 387.488 2.453 20 0 GEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1-c1nnnn1C1CC1 ZINC000826291191 608139904 /nfs/dbraw/zinc/13/99/04/608139904.db2.gz UECLAUBUILOBHV-UHFFFAOYSA-N -1 1 393.436 2.477 20 0 GEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1-c1nnnn1C1CC1 ZINC000826291191 608139905 /nfs/dbraw/zinc/13/99/05/608139905.db2.gz UECLAUBUILOBHV-UHFFFAOYSA-N -1 1 393.436 2.477 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ncccc2C(F)(F)F)n1 ZINC000824147913 608159349 /nfs/dbraw/zinc/15/93/49/608159349.db2.gz IOUJVLZEKUAWRB-UHFFFAOYSA-N -1 1 380.334 2.484 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ncccc2C(F)(F)F)n1 ZINC000824147913 608159350 /nfs/dbraw/zinc/15/93/50/608159350.db2.gz IOUJVLZEKUAWRB-UHFFFAOYSA-N -1 1 380.334 2.484 20 0 GEADMM CNS(=O)(=O)c1ccc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826090572 608178722 /nfs/dbraw/zinc/17/87/22/608178722.db2.gz JEABZSQGCZMKSY-ZETCQYMHSA-N -1 1 399.889 2.058 20 0 GEADMM CNS(=O)(=O)c1ccc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826090572 608178723 /nfs/dbraw/zinc/17/87/23/608178723.db2.gz JEABZSQGCZMKSY-ZETCQYMHSA-N -1 1 399.889 2.058 20 0 GEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825892365 608182295 /nfs/dbraw/zinc/18/22/95/608182295.db2.gz LYKNWZLRHOYCSV-UHFFFAOYSA-N -1 1 385.787 2.330 20 0 GEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825892365 608182297 /nfs/dbraw/zinc/18/22/97/608182297.db2.gz LYKNWZLRHOYCSV-UHFFFAOYSA-N -1 1 385.787 2.330 20 0 GEADMM Cc1ccsc1[C@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826315700 608187917 /nfs/dbraw/zinc/18/79/17/608187917.db2.gz QGUNXTINCBNOGU-LBPRGKRZSA-N -1 1 398.448 2.392 20 0 GEADMM Cc1ccsc1[C@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826315700 608187919 /nfs/dbraw/zinc/18/79/19/608187919.db2.gz QGUNXTINCBNOGU-LBPRGKRZSA-N -1 1 398.448 2.392 20 0 GEADMM O=C(N1CCC(CNc2snc(Cl)c2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000826425716 608190042 /nfs/dbraw/zinc/19/00/42/608190042.db2.gz PWGNGAHTGPNUDN-UHFFFAOYSA-N -1 1 395.798 2.189 20 0 GEADMM O=C(N1CCC(CNc2snc(Cl)c2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000826425716 608190044 /nfs/dbraw/zinc/19/00/44/608190044.db2.gz PWGNGAHTGPNUDN-UHFFFAOYSA-N -1 1 395.798 2.189 20 0 GEADMM CCC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825029812 608210858 /nfs/dbraw/zinc/21/08/58/608210858.db2.gz ZZEJJKDSSSKCOA-OWBHPGMISA-N -1 1 394.483 2.365 20 0 GEADMM CCC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825029812 608210860 /nfs/dbraw/zinc/21/08/60/608210860.db2.gz ZZEJJKDSSSKCOA-OWBHPGMISA-N -1 1 394.483 2.365 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC/C=C/c1ccccc1 ZINC000825923645 608211453 /nfs/dbraw/zinc/21/14/53/608211453.db2.gz PXDYLLDNKUITRD-BJMVGYQFSA-N -1 1 380.456 2.057 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC/C=C/c1ccccc1 ZINC000825923645 608211455 /nfs/dbraw/zinc/21/14/55/608211455.db2.gz PXDYLLDNKUITRD-BJMVGYQFSA-N -1 1 380.456 2.057 20 0 GEADMM CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824192935 608212328 /nfs/dbraw/zinc/21/23/28/608212328.db2.gz PAQNYGWLQNTVRR-OAHLLOKOSA-N -1 1 396.499 2.078 20 0 GEADMM CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824192935 608212329 /nfs/dbraw/zinc/21/23/29/608212329.db2.gz PAQNYGWLQNTVRR-OAHLLOKOSA-N -1 1 396.499 2.078 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc(F)c1Cl ZINC000825000379 608258297 /nfs/dbraw/zinc/25/82/97/608258297.db2.gz PDBYTXSJZWMPHZ-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc(F)c1Cl ZINC000825000379 608258298 /nfs/dbraw/zinc/25/82/98/608258298.db2.gz PDBYTXSJZWMPHZ-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 ZINC000826357135 608262308 /nfs/dbraw/zinc/26/23/08/608262308.db2.gz SMDDEJWOEYAOQL-UHFFFAOYSA-N -1 1 398.427 2.128 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 ZINC000826357135 608262310 /nfs/dbraw/zinc/26/23/10/608262310.db2.gz SMDDEJWOEYAOQL-UHFFFAOYSA-N -1 1 398.427 2.128 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824640560 608343034 /nfs/dbraw/zinc/34/30/34/608343034.db2.gz LCDVDZQBULRPBL-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(F)c1F ZINC000824640585 608343127 /nfs/dbraw/zinc/34/31/27/608343127.db2.gz LNDDYTFNTMBDBK-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(F)c1F ZINC000824640585 608343129 /nfs/dbraw/zinc/34/31/29/608343129.db2.gz LNDDYTFNTMBDBK-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc2n[nH]cc21 ZINC000826233021 608383640 /nfs/dbraw/zinc/38/36/40/608383640.db2.gz QRVIJYMZZKWBKT-UHFFFAOYSA-N -1 1 392.423 2.340 20 0 GEADMM COc1cccc(Oc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cn2)c1 ZINC000826217292 608399704 /nfs/dbraw/zinc/39/97/04/608399704.db2.gz GRRUZHDDKRAIKN-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM COc1cccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cn2)c1 ZINC000826217292 608399705 /nfs/dbraw/zinc/39/97/05/608399705.db2.gz GRRUZHDDKRAIKN-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923664 608399763 /nfs/dbraw/zinc/39/97/63/608399763.db2.gz QPQBZTASBZGRMW-UHFFFAOYSA-N -1 1 379.403 2.255 20 0 GEADMM Clc1nsc(N2CCC[C@@H](c3nncn3C3CC3)C2)c1-c1nnn[n-]1 ZINC000826353898 608408889 /nfs/dbraw/zinc/40/88/89/608408889.db2.gz IINZVILWSATUEF-MRVPVSSYSA-N -1 1 377.865 2.287 20 0 GEADMM Clc1nsc(N2CCC[C@@H](c3nncn3C3CC3)C2)c1-c1nn[n-]n1 ZINC000826353898 608408890 /nfs/dbraw/zinc/40/88/90/608408890.db2.gz IINZVILWSATUEF-MRVPVSSYSA-N -1 1 377.865 2.287 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826368474 608418021 /nfs/dbraw/zinc/41/80/21/608418021.db2.gz QPQOUCNEWOCWOV-SNVBAGLBSA-N -1 1 392.345 2.246 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826368474 608418022 /nfs/dbraw/zinc/41/80/22/608418022.db2.gz QPQOUCNEWOCWOV-SNVBAGLBSA-N -1 1 392.345 2.246 20 0 GEADMM CC[C@H](c1ccc(F)cc1F)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825159628 608424811 /nfs/dbraw/zinc/42/48/11/608424811.db2.gz QUZBZFRXJVYTFI-MRXNPFEDSA-N -1 1 386.410 2.208 20 0 GEADMM COc1ccc(CCN(CC(C)C)c2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000826192183 608435497 /nfs/dbraw/zinc/43/54/97/608435497.db2.gz CTEXWNOXGKQCBO-UHFFFAOYSA-N -1 1 383.456 2.379 20 0 GEADMM COc1ccc(CCN(CC(C)C)c2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000826192183 608435499 /nfs/dbraw/zinc/43/54/99/608435499.db2.gz CTEXWNOXGKQCBO-UHFFFAOYSA-N -1 1 383.456 2.379 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000826472739 608491983 /nfs/dbraw/zinc/49/19/83/608491983.db2.gz VZHQDCMOUBYLAT-UHFFFAOYSA-N -1 1 393.234 2.203 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000826472739 608491984 /nfs/dbraw/zinc/49/19/84/608491984.db2.gz VZHQDCMOUBYLAT-UHFFFAOYSA-N -1 1 393.234 2.203 20 0 GEADMM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826210111 608582430 /nfs/dbraw/zinc/58/24/30/608582430.db2.gz FCUSOLQSJJSIRB-UHFFFAOYSA-N -1 1 381.801 2.035 20 0 GEADMM CCc1ncc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1 ZINC000825749721 608589329 /nfs/dbraw/zinc/58/93/29/608589329.db2.gz GTYPJUWOBWFSBJ-UHFFFAOYSA-N -1 1 386.485 2.073 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(C)(C)C1 ZINC000826328008 608601617 /nfs/dbraw/zinc/60/16/17/608601617.db2.gz CHUUGFBFIIIVDR-ZDUSSCGKSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(C)(C)C1 ZINC000826328008 608601622 /nfs/dbraw/zinc/60/16/22/608601622.db2.gz CHUUGFBFIIIVDR-ZDUSSCGKSA-N -1 1 382.472 2.154 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3cc(F)ccc3C2)cc1-c1nn[n-]n1 ZINC000826229743 608608882 /nfs/dbraw/zinc/60/88/82/608608882.db2.gz PWLPPUARPGJRHB-UHFFFAOYSA-N -1 1 386.412 2.027 20 0 GEADMM c1cc(-c2nnn[n-]2)oc1CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000826519279 608692111 /nfs/dbraw/zinc/69/21/11/608692111.db2.gz RLNMHVNDOUXMOH-UHFFFAOYSA-N -1 1 391.435 2.433 20 0 GEADMM c1cc(-c2nn[n-]n2)oc1CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000826519279 608692112 /nfs/dbraw/zinc/69/21/12/608692112.db2.gz RLNMHVNDOUXMOH-UHFFFAOYSA-N -1 1 391.435 2.433 20 0 GEADMM CC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000824823892 608755529 /nfs/dbraw/zinc/75/55/29/608755529.db2.gz QGHNMTLMINEPIZ-UHFFFAOYSA-N -1 1 387.440 2.089 20 0 GEADMM COc1ccc(-c2nc(NC(=O)Cn3ccnc3-c3nnn[n-]3)sc2C)cc1 ZINC000826181848 608889362 /nfs/dbraw/zinc/88/93/62/608889362.db2.gz PQOMRBMMURJIGT-UHFFFAOYSA-N -1 1 396.436 2.142 20 0 GEADMM COc1ccc(-c2nc(NC(=O)Cn3ccnc3-c3nn[n-]n3)sc2C)cc1 ZINC000826181848 608889365 /nfs/dbraw/zinc/88/93/65/608889365.db2.gz PQOMRBMMURJIGT-UHFFFAOYSA-N -1 1 396.436 2.142 20 0 GEADMM CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824245460 609181803 /nfs/dbraw/zinc/18/18/03/609181803.db2.gz ZXPZHDXBVKRKGS-RYUDHWBXSA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824245460 609181804 /nfs/dbraw/zinc/18/18/04/609181804.db2.gz ZXPZHDXBVKRKGS-RYUDHWBXSA-N -1 1 399.904 2.392 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccc(F)cc1 ZINC000826261724 609244174 /nfs/dbraw/zinc/24/41/74/609244174.db2.gz PLFZUZSGTDUQQD-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccc(F)cc1 ZINC000826261724 609244176 /nfs/dbraw/zinc/24/41/76/609244176.db2.gz PLFZUZSGTDUQQD-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM Cc1onc(CC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)c1-c1nnn[n-]1 ZINC000826270344 609264679 /nfs/dbraw/zinc/26/46/79/609264679.db2.gz WLACMGRQTDQKQR-GFCCVEGCSA-N -1 1 396.455 2.427 20 0 GEADMM Cc1onc(CC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)c1-c1nn[n-]n1 ZINC000826270344 609264680 /nfs/dbraw/zinc/26/46/80/609264680.db2.gz WLACMGRQTDQKQR-GFCCVEGCSA-N -1 1 396.455 2.427 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1-c1nnn[n-]1 ZINC000826346917 609267416 /nfs/dbraw/zinc/26/74/16/609267416.db2.gz YUCPHGXNMUIRQP-CQSZACIVSA-N -1 1 396.455 2.211 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1-c1nn[n-]n1 ZINC000826346917 609267418 /nfs/dbraw/zinc/26/74/18/609267418.db2.gz YUCPHGXNMUIRQP-CQSZACIVSA-N -1 1 396.455 2.211 20 0 GEADMM CCO[C@H](C)c1noc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000825577313 609278652 /nfs/dbraw/zinc/27/86/52/609278652.db2.gz VLJVUSGATYXAEY-SNVBAGLBSA-N -1 1 399.390 2.284 20 0 GEADMM CCCN(CCC)C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825313703 609278664 /nfs/dbraw/zinc/27/86/64/609278664.db2.gz PCOMWRKKDWNWAM-UHFFFAOYSA-N -1 1 386.435 2.252 20 0 GEADMM C[C@H]1CCCCN1C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824937234 609278880 /nfs/dbraw/zinc/27/88/80/609278880.db2.gz OUOBLWHHYHXPOQ-LBPRGKRZSA-N -1 1 384.419 2.004 20 0 GEADMM Fc1cccc(-n2ccc(NCc3nccn3C(F)F)n2)c1-c1nn[n-]n1 ZINC000826376816 609279648 /nfs/dbraw/zinc/27/96/48/609279648.db2.gz TXCMHTJKKMAAGP-UHFFFAOYSA-N -1 1 375.318 2.395 20 0 GEADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NCC1CCCCC1 ZINC000826414391 609279868 /nfs/dbraw/zinc/27/98/68/609279868.db2.gz UADNKVHWVZUMNU-UHFFFAOYSA-N -1 1 398.446 2.300 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(C)CCCCCC1 ZINC000825000498 609281703 /nfs/dbraw/zinc/28/17/03/609281703.db2.gz RGVILRMBDGXPKQ-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(C)CCCCCC1 ZINC000825000498 609281706 /nfs/dbraw/zinc/28/17/06/609281706.db2.gz RGVILRMBDGXPKQ-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000826472658 609285178 /nfs/dbraw/zinc/28/51/78/609285178.db2.gz SANLVLNZBZRFKG-UHFFFAOYSA-N -1 1 395.423 2.452 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000826472658 609285179 /nfs/dbraw/zinc/28/51/79/609285179.db2.gz SANLVLNZBZRFKG-UHFFFAOYSA-N -1 1 395.423 2.452 20 0 GEADMM CN(CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccccc1 ZINC000825892320 609290500 /nfs/dbraw/zinc/29/05/00/609290500.db2.gz JVELTJUOOOPYAE-UHFFFAOYSA-N -1 1 392.398 2.266 20 0 GEADMM CC(C)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824348052 609300463 /nfs/dbraw/zinc/30/04/63/609300463.db2.gz YACPKAZPJGIUNR-UHFFFAOYSA-N -1 1 397.487 2.070 20 0 GEADMM CC(C)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824348052 609300464 /nfs/dbraw/zinc/30/04/64/609300464.db2.gz YACPKAZPJGIUNR-UHFFFAOYSA-N -1 1 397.487 2.070 20 0 GEADMM CCCCC[C@@H](O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825268005 609312807 /nfs/dbraw/zinc/31/28/07/609312807.db2.gz PSRBEEZOCNZAOQ-GFCCVEGCSA-N -1 1 387.419 2.461 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2n[nH]cc2c1 ZINC000826458426 609314147 /nfs/dbraw/zinc/31/41/47/609314147.db2.gz PIEXFYVCQLALHT-UHFFFAOYSA-N -1 1 389.354 2.320 20 0 GEADMM O=S(=O)(Oc1ccc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493240 609330248 /nfs/dbraw/zinc/33/02/48/609330248.db2.gz AESKUZJMFGBSIX-UHFFFAOYSA-N -1 1 380.389 2.091 20 0 GEADMM O=S(=O)(Oc1ccc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493240 609330250 /nfs/dbraw/zinc/33/02/50/609330250.db2.gz AESKUZJMFGBSIX-UHFFFAOYSA-N -1 1 380.389 2.091 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1F ZINC000826211793 609338429 /nfs/dbraw/zinc/33/84/29/609338429.db2.gz UXGJONLMFCGJCM-UHFFFAOYSA-N -1 1 383.792 2.469 20 0 GEADMM Cc1noc(C)c1NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826339923 609364057 /nfs/dbraw/zinc/36/40/57/609364057.db2.gz ZPOORFQFUHXFJE-UHFFFAOYSA-N -1 1 383.347 2.440 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2c(C)c(F)ccc2C(=O)[O-])c1-c1nn[nH]n1 ZINC000826303931 609371614 /nfs/dbraw/zinc/37/16/14/609371614.db2.gz MZJYAYDFBSMSRO-UHFFFAOYSA-N -1 1 391.384 2.122 20 0 GEADMM OCC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1Br ZINC000826509075 609384391 /nfs/dbraw/zinc/38/43/91/609384391.db2.gz KUXFHGZPEZCZED-CYBMUJFWSA-N -1 1 378.230 2.436 20 0 GEADMM OCC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1Br ZINC000826509075 609384393 /nfs/dbraw/zinc/38/43/93/609384393.db2.gz KUXFHGZPEZCZED-CYBMUJFWSA-N -1 1 378.230 2.436 20 0 GEADMM CC(C)Cn1ncnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000824284841 609418154 /nfs/dbraw/zinc/41/81/54/609418154.db2.gz OOUJTWAPWYVLFC-UHFFFAOYSA-N -1 1 384.831 2.131 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)nn1-c1ccc(C)cc1 ZINC000826281411 609470260 /nfs/dbraw/zinc/47/02/60/609470260.db2.gz QGKOVWMGPRDPAK-UHFFFAOYSA-N -1 1 378.396 2.147 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)nn1-c1ccc(C)cc1 ZINC000826281411 609470264 /nfs/dbraw/zinc/47/02/64/609470264.db2.gz QGKOVWMGPRDPAK-UHFFFAOYSA-N -1 1 378.396 2.147 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)nn1-c1cccc(Cl)c1 ZINC000826348468 609472283 /nfs/dbraw/zinc/47/22/83/609472283.db2.gz NTYQFDKJECPMMU-UHFFFAOYSA-N -1 1 398.814 2.492 20 0 GEADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)nn1-c1cccc(Cl)c1 ZINC000826348468 609472285 /nfs/dbraw/zinc/47/22/85/609472285.db2.gz NTYQFDKJECPMMU-UHFFFAOYSA-N -1 1 398.814 2.492 20 0 GEADMM CC[C@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825060014 609505939 /nfs/dbraw/zinc/50/59/39/609505939.db2.gz NHUXQVIAPSQACE-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM CC[C@H](C)CCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825060014 609505940 /nfs/dbraw/zinc/50/59/40/609505940.db2.gz NHUXQVIAPSQACE-LSDHHAIUSA-N -1 1 386.504 2.300 20 0 GEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824908202 609585689 /nfs/dbraw/zinc/58/56/89/609585689.db2.gz NOISMYOAKQUPDX-BDAKNGLRSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824908202 609585692 /nfs/dbraw/zinc/58/56/92/609585692.db2.gz NOISMYOAKQUPDX-BDAKNGLRSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824908203 609586400 /nfs/dbraw/zinc/58/64/00/609586400.db2.gz NOISMYOAKQUPDX-DTWKUNHWSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824908203 609586402 /nfs/dbraw/zinc/58/64/02/609586402.db2.gz NOISMYOAKQUPDX-DTWKUNHWSA-N -1 1 393.366 2.357 20 0 GEADMM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825052765 609642362 /nfs/dbraw/zinc/64/23/62/609642362.db2.gz YOKSEWIQEZTIAF-OLZOCXBDSA-N -1 1 397.439 2.216 20 0 GEADMM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825052765 609642363 /nfs/dbraw/zinc/64/23/63/609642363.db2.gz YOKSEWIQEZTIAF-OLZOCXBDSA-N -1 1 397.439 2.216 20 0 GEADMM CC[C@H](C)[C@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825052767 609642374 /nfs/dbraw/zinc/64/23/74/609642374.db2.gz YOKSEWIQEZTIAF-STQMWFEESA-N -1 1 397.439 2.216 20 0 GEADMM CC[C@H](C)[C@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825052767 609642375 /nfs/dbraw/zinc/64/23/75/609642375.db2.gz YOKSEWIQEZTIAF-STQMWFEESA-N -1 1 397.439 2.216 20 0 GEADMM Cc1c(Br)ccc(NC(=O)CNC(=O)c2ncccc2[O-])c1F ZINC000447640851 650007811 /nfs/dbraw/zinc/00/78/11/650007811.db2.gz VSKHNPXLAQWDLI-UHFFFAOYSA-N -1 1 382.189 2.366 20 0 GEADMM C[C@H](CN(C)C(=O)c1cc2c(ccc(F)c2Br)[nH]1)c1nn[n-]n1 ZINC000450841788 650072097 /nfs/dbraw/zinc/07/20/97/650072097.db2.gz LIOKVYIDKTXNPW-SSDOTTSWSA-N -1 1 381.209 2.458 20 0 GEADMM COC(=O)c1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c(Br)c1 ZINC000450889658 650074198 /nfs/dbraw/zinc/07/41/98/650074198.db2.gz DPULUOIHUKKLCB-UHFFFAOYSA-N -1 1 395.257 2.439 20 0 GEADMM COC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000450984559 650078233 /nfs/dbraw/zinc/07/82/33/650078233.db2.gz WUQOOSHQMIANDO-UHFFFAOYSA-N -1 1 388.642 2.473 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCS[C@@H](C)C2)c(F)c1 ZINC000451166869 650092165 /nfs/dbraw/zinc/09/21/65/650092165.db2.gz QDUDNEFHDGKZGM-NSHDSACASA-N -1 1 396.531 2.103 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(F)c1 ZINC000451278125 650100462 /nfs/dbraw/zinc/10/04/62/650100462.db2.gz CAOASDKZGZGUMO-RYUDHWBXSA-N -1 1 378.491 2.254 20 0 GEADMM O=S(=O)([N-]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1sccc1Cl ZINC000451358082 650106908 /nfs/dbraw/zinc/10/69/08/650106908.db2.gz ZSEXCAOFFWXYJU-KGLIPLIRSA-N -1 1 386.926 2.315 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000451303503 650102279 /nfs/dbraw/zinc/10/22/79/650102279.db2.gz GMAMUPKZCNHWAL-CHWSQXEVSA-N -1 1 390.502 2.398 20 0 GEADMM CCOC[C@@H](C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000451347562 650105973 /nfs/dbraw/zinc/10/59/73/650105973.db2.gz GHYIUSWBLARBFI-YGRLFVJLSA-N -1 1 381.853 2.285 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CC)CSC)c(F)c1 ZINC000451368696 650107888 /nfs/dbraw/zinc/10/78/88/650107888.db2.gz PYWGKEVYJADRIN-NSHDSACASA-N -1 1 398.547 2.397 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)[C@@H]1CCCOC1 ZINC000451386059 650109926 /nfs/dbraw/zinc/10/99/26/650109926.db2.gz VHBXKXTZEPPMIC-MGPQQGTHSA-N -1 1 383.457 2.090 20 0 GEADMM COC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(Cl)cc1 ZINC000451812539 650144504 /nfs/dbraw/zinc/14/45/04/650144504.db2.gz RAZPLFCZVJTYOE-LBPRGKRZSA-N -1 1 387.841 2.428 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)C ZINC000452023413 650167407 /nfs/dbraw/zinc/16/74/07/650167407.db2.gz VJCWBCNEVIVGNW-QMMMGPOBSA-N -1 1 398.264 2.398 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000452082984 650171751 /nfs/dbraw/zinc/17/17/51/650171751.db2.gz JLTHNHJWZFYDLK-CQSZACIVSA-N -1 1 385.463 2.310 20 0 GEADMM COc1cc(NC(=O)NCCc2scnc2C)ccc1[N-]S(C)(=O)=O ZINC000454761820 650278028 /nfs/dbraw/zinc/27/80/28/650278028.db2.gz BNIPJACUOYZVBK-UHFFFAOYSA-N -1 1 384.483 2.196 20 0 GEADMM NC(=O)[C@@H]1CC[C@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000456897791 650365998 /nfs/dbraw/zinc/36/59/98/650365998.db2.gz CGYNPUNJMTUQFX-BDAKNGLRSA-N -1 1 378.226 2.087 20 0 GEADMM COc1cncc(S(=O)(=O)[N-][C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 ZINC000500468543 650378223 /nfs/dbraw/zinc/37/82/23/650378223.db2.gz IIVPZBRMWJPSRW-CYBMUJFWSA-N -1 1 378.376 2.022 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)o1 ZINC000503886350 650423924 /nfs/dbraw/zinc/42/39/24/650423924.db2.gz RLQDNFPZUNOYDN-UHFFFAOYSA-N -1 1 377.340 2.395 20 0 GEADMM COCCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000504261965 650429194 /nfs/dbraw/zinc/42/91/94/650429194.db2.gz ZRYGOPYNCDNNMR-UHFFFAOYSA-N -1 1 387.454 2.437 20 0 GEADMM CCOC(=O)Cn1cnc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)n1 ZINC000504467381 650431586 /nfs/dbraw/zinc/43/15/86/650431586.db2.gz LALXBJRPEYWDOE-UHFFFAOYSA-N -1 1 396.176 2.059 20 0 GEADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1 ZINC000460832035 650446188 /nfs/dbraw/zinc/44/61/88/650446188.db2.gz MUIXUTKBKBAEGS-DEOSSOPVSA-N -1 1 380.491 2.349 20 0 GEADMM COC(=O)c1cnccc1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461111830 650449340 /nfs/dbraw/zinc/44/93/40/650449340.db2.gz KMIDIUOQJVARKS-UHFFFAOYSA-N -1 1 399.266 2.037 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(C)cc2)c1 ZINC000461452370 650454390 /nfs/dbraw/zinc/45/43/90/650454390.db2.gz IQUUHKASBOXBSP-UHFFFAOYSA-N -1 1 380.491 2.481 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccsc2Cl)c1 ZINC000461462486 650454561 /nfs/dbraw/zinc/45/45/61/650454561.db2.gz ZKLSOCRXBFJRTD-UHFFFAOYSA-N -1 1 376.843 2.033 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2sccc2OC(F)F)c1 ZINC000461460890 650454592 /nfs/dbraw/zinc/45/45/92/650454592.db2.gz PGXZYNAEDBRBLS-UHFFFAOYSA-N -1 1 378.378 2.216 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1F ZINC000507598908 650464232 /nfs/dbraw/zinc/46/42/32/650464232.db2.gz JBWOCNVKIVEVQQ-UHFFFAOYSA-N -1 1 390.433 2.291 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc(S(C)(=O)=O)c1 ZINC000507578752 650463855 /nfs/dbraw/zinc/46/38/55/650463855.db2.gz HQTBDCZGVBLKKH-UHFFFAOYSA-N -1 1 385.463 2.217 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)c1 ZINC000508100771 650474397 /nfs/dbraw/zinc/47/43/97/650474397.db2.gz YKQFVHAACPROPN-LBPRGKRZSA-N -1 1 387.763 2.126 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000509596549 650496986 /nfs/dbraw/zinc/49/69/86/650496986.db2.gz RMZVSJOVXQGMGU-UHFFFAOYSA-N -1 1 376.406 2.333 20 0 GEADMM CCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509895744 650502841 /nfs/dbraw/zinc/50/28/41/650502841.db2.gz SCHPXRQGKHPDRG-UHFFFAOYSA-N -1 1 384.237 2.012 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C1(C)C ZINC000509960101 650504398 /nfs/dbraw/zinc/50/43/98/650504398.db2.gz ZFCXLCQRRGVKOR-GHMZBOCLSA-N -1 1 382.265 2.218 20 0 GEADMM CCn1nccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCN(C)CC1 ZINC000471906880 650518613 /nfs/dbraw/zinc/51/86/13/650518613.db2.gz LQQFEEIRPJEOSQ-UHFFFAOYSA-N -1 1 383.905 2.109 20 0 GEADMM O=S(=O)([N-]CCn1cc(Br)cn1)c1cc(F)c(F)cc1F ZINC000511431993 650537257 /nfs/dbraw/zinc/53/72/57/650537257.db2.gz ZCETVXULVYFCGY-UHFFFAOYSA-N -1 1 384.177 2.041 20 0 GEADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000476132741 650544664 /nfs/dbraw/zinc/54/46/64/650544664.db2.gz FBXYQAVCGUUILD-WDEREUQCSA-N -1 1 395.308 2.298 20 0 GEADMM Cc1cc(C)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1I ZINC000476703612 650557774 /nfs/dbraw/zinc/55/77/74/650557774.db2.gz OQTIYBDLZCCEPH-SNVBAGLBSA-N -1 1 399.236 2.297 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)c(F)c1 ZINC000477194729 650571114 /nfs/dbraw/zinc/57/11/14/650571114.db2.gz OVYHPWSSMLPDJI-HNNXBMFYSA-N -1 1 384.454 2.333 20 0 GEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)nn1-c1ccc(Cl)cc1Cl ZINC000477029410 650566503 /nfs/dbraw/zinc/56/65/03/650566503.db2.gz JRVSQWDCIXATMT-UHFFFAOYSA-N -1 1 378.223 2.420 20 0 GEADMM C[C@H](CO)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000477829252 650579792 /nfs/dbraw/zinc/57/97/92/650579792.db2.gz SXKNLYWVERGIQO-LBPRGKRZSA-N -1 1 382.869 2.499 20 0 GEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H](O)Cc1ccccc1Cl ZINC000477618591 650576983 /nfs/dbraw/zinc/57/69/83/650576983.db2.gz VCHKHFWUCQUJGD-OAHLLOKOSA-N -1 1 386.832 2.393 20 0 GEADMM C[C@H](CN(C)C(=O)CCOc1ccc(Br)cc1F)c1nn[n-]n1 ZINC000478603462 650588350 /nfs/dbraw/zinc/58/83/50/650588350.db2.gz RPVKELKMVKKLNI-SECBINFHSA-N -1 1 386.225 2.132 20 0 GEADMM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)C(C)C ZINC000478762611 650591783 /nfs/dbraw/zinc/59/17/83/650591783.db2.gz OAJJFALRDZEGPM-MRXNPFEDSA-N -1 1 375.443 2.103 20 0 GEADMM 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ZINC000656556230 652038879 /nfs/dbraw/zinc/03/88/79/652038879.db2.gz RMVDPBKBMVHSED-UHFFFAOYSA-N -1 1 396.270 2.410 20 0 GEADMM Cc1cc(CS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)nc(C)n1 ZINC000656556230 652038890 /nfs/dbraw/zinc/03/88/90/652038890.db2.gz RMVDPBKBMVHSED-UHFFFAOYSA-N -1 1 396.270 2.410 20 0 GEADMM CCS(=O)(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000656638290 652044041 /nfs/dbraw/zinc/04/40/41/652044041.db2.gz WWFKIQRPERMMMC-UHFFFAOYSA-N -1 1 384.479 2.282 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1ncccc1Br)[C@H](O)Cc1ccccc1 ZINC000656938726 652069010 /nfs/dbraw/zinc/06/90/10/652069010.db2.gz ALBBGDJTJFEGPZ-SMDDNHRTSA-N -1 1 385.283 2.115 20 0 GEADMM Nc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1Br ZINC000745462117 652077799 /nfs/dbraw/zinc/07/77/99/652077799.db2.gz HJAHZLXXGFGYFJ-UHFFFAOYSA-N -1 1 377.194 2.145 20 0 GEADMM O=S(=O)([N-][C@H](CO)CC1CCCCC1)c1ncccc1Br ZINC000657015892 652087695 /nfs/dbraw/zinc/08/76/95/652087695.db2.gz YKXJKNKKRWQMON-LBPRGKRZSA-N -1 1 377.304 2.454 20 0 GEADMM O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1ccc(Br)c([O-])c1 ZINC000620104031 652091248 /nfs/dbraw/zinc/09/12/48/652091248.db2.gz WNXZQUGVOSBJLA-LBPRGKRZSA-N -1 1 382.258 2.175 20 0 GEADMM Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2ncccc2Br)cn1 ZINC000657173031 652141902 /nfs/dbraw/zinc/14/19/02/652141902.db2.gz AXFINXAFGYOVFJ-JSGCOSHPSA-N -1 1 399.314 2.267 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)ccc1F ZINC000747605085 652169709 /nfs/dbraw/zinc/16/97/09/652169709.db2.gz VODVCAKCDXEBTI-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)C=Cc2ccccc2Br)n1 ZINC000747617650 652170221 /nfs/dbraw/zinc/17/02/21/652170221.db2.gz SFWVPLNJGQGWEV-FPLPWBNLSA-N -1 1 399.270 2.473 20 0 GEADMM CO[C@]1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)CCOC1 ZINC000577252191 652173536 /nfs/dbraw/zinc/17/35/36/652173536.db2.gz VREIIEFKYUGOKG-INIZCTEOSA-N -1 1 381.226 2.238 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1c[nH]c2cccc(Br)c12 ZINC000577426806 652186890 /nfs/dbraw/zinc/18/68/90/652186890.db2.gz YEDLIAXIBHDSBL-UHFFFAOYSA-N -1 1 399.270 2.330 20 0 GEADMM COc1ccc(C)cc1C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000748369704 652200737 /nfs/dbraw/zinc/20/07/37/652200737.db2.gz TVQCLAQTMNMNRG-UHFFFAOYSA-N -1 1 383.447 2.476 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1COc2ccc(Br)cc21 ZINC000577873094 652224738 /nfs/dbraw/zinc/22/47/38/652224738.db2.gz OFKQBBDGFFRZFS-LLVKDONJSA-N -1 1 378.230 2.024 20 0 GEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccccc2CN(C)C)s1 ZINC000749008578 652229955 /nfs/dbraw/zinc/22/99/55/652229955.db2.gz YAWYQRUGCLKGAD-UHFFFAOYSA-N -1 1 384.479 2.406 20 0 GEADMM COC(=O)c1csc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000749150593 652237726 /nfs/dbraw/zinc/23/77/26/652237726.db2.gz BCZINLUEJGXKAJ-UHFFFAOYSA-N -1 1 381.357 2.254 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000578437371 652272455 /nfs/dbraw/zinc/27/24/55/652272455.db2.gz FUWODCLNHJJALG-MRXNPFEDSA-N -1 1 375.437 2.119 20 0 GEADMM O=S(=O)([N-][C@H](C1CCOCC1)C1(CO)CCC1)c1cc(F)ccc1F ZINC000578620601 652282976 /nfs/dbraw/zinc/28/29/76/652282976.db2.gz OLIOFSPAAXDUNF-MRXNPFEDSA-N -1 1 375.437 2.201 20 0 GEADMM O=S(=O)([N-][C@H](C1CCOCC1)C1(CO)CCC1)c1cccc(F)c1F ZINC000578981589 652308739 /nfs/dbraw/zinc/30/87/39/652308739.db2.gz MFSYHIOTKQABIT-MRXNPFEDSA-N -1 1 375.437 2.201 20 0 GEADMM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000579334996 652331788 /nfs/dbraw/zinc/33/17/88/652331788.db2.gz KQPJLILFOIKMSS-IUODEOHRSA-N -1 1 382.507 2.459 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)s1 ZINC000579578089 652344520 /nfs/dbraw/zinc/34/45/20/652344520.db2.gz URDVEIYTONBDDJ-UHFFFAOYSA-N -1 1 386.886 2.117 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000751477218 652355568 /nfs/dbraw/zinc/35/55/68/652355568.db2.gz SAFZRBRGGMOFNU-RMLUDKJBSA-N -1 1 391.804 2.259 20 0 GEADMM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1cnn2c1OCCC2 ZINC000579814280 652355795 /nfs/dbraw/zinc/35/57/95/652355795.db2.gz XMRJPGNQAZINHZ-GFCCVEGCSA-N -1 1 379.335 2.229 20 0 GEADMM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000751732260 652365399 /nfs/dbraw/zinc/36/53/99/652365399.db2.gz ODUWCVQOSRCCRA-YFKPBYRVSA-N -1 1 386.685 2.118 20 0 GEADMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)NC(=O)NCC(F)(F)F ZINC000751732258 652365410 /nfs/dbraw/zinc/36/54/10/652365410.db2.gz ODUWCVQOSRCCRA-RXMQYKEDSA-N -1 1 386.685 2.118 20 0 GEADMM CNC(=O)[C@@H](C)CN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000580383208 652378352 /nfs/dbraw/zinc/37/83/52/652378352.db2.gz XZAYFRCIQQIDIP-VIFPVBQESA-N -1 1 380.242 2.157 20 0 GEADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Br)[C@@]1(O)CCCOC1 ZINC000660053004 652379485 /nfs/dbraw/zinc/37/94/85/652379485.db2.gz SPUNNUUEFHIYPL-CYBMUJFWSA-N -1 1 398.344 2.357 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CCCSc2ccccn2)c(C(F)(F)F)n1 ZINC000580559012 652383636 /nfs/dbraw/zinc/38/36/36/652383636.db2.gz PPBCVEMRAUMFDC-UHFFFAOYSA-N -1 1 380.417 2.295 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C2CC2)C2CCC2)c(F)c1 ZINC000580763159 652391684 /nfs/dbraw/zinc/39/16/84/652391684.db2.gz VBYGXUGMRNEYIK-HNNXBMFYSA-N -1 1 376.475 2.054 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-n3cnnn3)c2)c(Cl)c1 ZINC000582264509 652442672 /nfs/dbraw/zinc/44/26/72/652442672.db2.gz NSBIUASJJVHAPG-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM O=C(c1cc(Br)c(F)cc1[O-])N1CCC(N2CCOCC2)CC1 ZINC000628122079 652452153 /nfs/dbraw/zinc/45/21/53/652452153.db2.gz JDFVAHZBFXHAAO-UHFFFAOYSA-N -1 1 387.249 2.231 20 0 GEADMM CCCN(C(C)C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000583094582 652472744 /nfs/dbraw/zinc/47/27/44/652472744.db2.gz OSNRIPYWUNACJE-UHFFFAOYSA-N -1 1 386.499 2.020 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000629588350 652494628 /nfs/dbraw/zinc/49/46/28/652494628.db2.gz KXEJBSZJTMLYOK-JTQLQIEISA-N -1 1 388.207 2.057 20 0 GEADMM COc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1Br ZINC000630219789 652504947 /nfs/dbraw/zinc/50/49/47/652504947.db2.gz JWVZWMBLFYSJTP-NSHDSACASA-N -1 1 385.258 2.079 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)CC(F)F)c(Cl)cc1Cl ZINC000758234466 652534230 /nfs/dbraw/zinc/53/42/30/652534230.db2.gz NLYZMABKDWJHSE-LURJTMIESA-N -1 1 392.207 2.074 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCCN(C)C1 ZINC000586758357 652539697 /nfs/dbraw/zinc/53/96/97/652539697.db2.gz HRVBIWZKFBNXRI-JTQLQIEISA-N -1 1 381.281 2.153 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cc(C)n[nH]1 ZINC000586759812 652539725 /nfs/dbraw/zinc/53/97/25/652539725.db2.gz NTEXGSPSWOKQKG-UHFFFAOYSA-N -1 1 378.237 2.290 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cc(C)[nH]n1 ZINC000586759812 652539728 /nfs/dbraw/zinc/53/97/28/652539728.db2.gz NTEXGSPSWOKQKG-UHFFFAOYSA-N -1 1 378.237 2.290 20 0 GEADMM Cn1nc(Br)cc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000758775208 652553595 /nfs/dbraw/zinc/55/35/95/652553595.db2.gz FIAUKPDATQSKLV-UHFFFAOYSA-N -1 1 379.166 2.352 20 0 GEADMM O=C(N[C@H]1CCNC(=O)CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000665660162 652556713 /nfs/dbraw/zinc/55/67/13/652556713.db2.gz JDQRQBMUYMDBMD-SECBINFHSA-N -1 1 378.226 2.101 20 0 GEADMM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)C2 ZINC000759020648 652559965 /nfs/dbraw/zinc/55/99/65/652559965.db2.gz HVWJMZBUYKAWMG-JTQLQIEISA-N -1 1 388.239 2.333 20 0 GEADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000759050851 652561296 /nfs/dbraw/zinc/56/12/96/652561296.db2.gz SLETXMDGSYONQJ-LLVKDONJSA-N -1 1 376.228 2.063 20 0 GEADMM COc1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000589425272 652566325 /nfs/dbraw/zinc/56/63/25/652566325.db2.gz HLUHZQLVCXPUBM-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000759359369 652569848 /nfs/dbraw/zinc/56/98/48/652569848.db2.gz GPPLRFXXKISDHC-JTQLQIEISA-N -1 1 382.247 2.379 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccc(S(C)(=O)=O)cc1 ZINC000632757683 652577935 /nfs/dbraw/zinc/57/79/35/652577935.db2.gz YCQJFTZLGGOODI-NSHDSACASA-N -1 1 389.445 2.450 20 0 GEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1nc2c(s1)CCC2 ZINC000667986397 652623913 /nfs/dbraw/zinc/62/39/13/652623913.db2.gz DYIOLKZDABGTPI-GFCCVEGCSA-N -1 1 378.820 2.457 20 0 GEADMM O=C(NC[C@H](n1cncn1)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000633981490 652624679 /nfs/dbraw/zinc/62/46/79/652624679.db2.gz FYRRNAPRDYHRPL-JTQLQIEISA-N -1 1 379.136 2.280 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000593576314 652625505 /nfs/dbraw/zinc/62/55/05/652625505.db2.gz QMGGRVQBRDIDJQ-HIFRSBDPSA-N -1 1 375.874 2.118 20 0 GEADMM O=C(NCCCNc1ncccn1)c1ccc(I)c([O-])c1 ZINC000760860268 652626572 /nfs/dbraw/zinc/62/65/72/652626572.db2.gz DCUKVVDNTISSBD-UHFFFAOYSA-N -1 1 398.204 2.019 20 0 GEADMM C[C@@](O)(CNC(=O)c1ccc(I)c([O-])c1)c1ccco1 ZINC000760898234 652627119 /nfs/dbraw/zinc/62/71/19/652627119.db2.gz SLNYURBTRGIBEF-CQSZACIVSA-N -1 1 387.173 2.227 20 0 GEADMM CC(C)c1cc(Br)ccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000761139379 652633780 /nfs/dbraw/zinc/63/37/80/652633780.db2.gz WNSGVFBHKDYZGC-UHFFFAOYSA-N -1 1 380.242 2.451 20 0 GEADMM CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)[N-]c1cnc(C)s1 ZINC000761270705 652639930 /nfs/dbraw/zinc/63/99/30/652639930.db2.gz FWQBOIJOCZNBGA-UHFFFAOYSA-N -1 1 391.496 2.023 20 0 GEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000761322334 652643480 /nfs/dbraw/zinc/64/34/80/652643480.db2.gz BSGDOFZKMNUICU-UHFFFAOYSA-N -1 1 378.853 2.282 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000761321930 652643595 /nfs/dbraw/zinc/64/35/95/652643595.db2.gz SHXNHIPFEVXLMB-AMIZOPFISA-N -1 1 393.292 2.453 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2c(C)noc2C)c1F ZINC000594450293 652651679 /nfs/dbraw/zinc/65/16/79/652651679.db2.gz WTXBZQUQILZCLX-UHFFFAOYSA-N -1 1 376.793 2.349 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)c2ccn(C)n2)c1F ZINC000594464365 652657066 /nfs/dbraw/zinc/65/70/66/652657066.db2.gz NIQNIZRMPBYSAW-QMMMGPOBSA-N -1 1 375.809 2.039 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H]2C)c1F ZINC000594464430 652657838 /nfs/dbraw/zinc/65/78/38/652657838.db2.gz OGGMEFOXOCZOCW-PSLIRLAXSA-N -1 1 379.837 2.095 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H]2C)c1F ZINC000594464435 652658015 /nfs/dbraw/zinc/65/80/15/652658015.db2.gz OGGMEFOXOCZOCW-VFZGTOFNSA-N -1 1 379.837 2.095 20 0 GEADMM COC(=O)c1ccccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486497 652663020 /nfs/dbraw/zinc/66/30/20/652663020.db2.gz GVHZFNYKRFWDND-GXFFZTMASA-N -1 1 381.372 2.252 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2OC)c1F ZINC000594470542 652663052 /nfs/dbraw/zinc/66/30/52/652663052.db2.gz LTVUEFWGZXOPSJ-SKDRFNHKSA-N -1 1 379.837 2.359 20 0 GEADMM CCNC(=O)c1cc([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c(C)s1 ZINC000634796827 652667255 /nfs/dbraw/zinc/66/72/55/652667255.db2.gz IETABXPOFGFZNJ-MRXNPFEDSA-N -1 1 390.527 2.132 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)c2ncccc2Br)CCCCCC1 ZINC000594743445 652679794 /nfs/dbraw/zinc/67/97/94/652679794.db2.gz UYFQLTMUZHWLAN-UHFFFAOYSA-N -1 1 391.287 2.388 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)CCC1 ZINC000594819989 652687773 /nfs/dbraw/zinc/68/77/73/652687773.db2.gz YCNMYRPIOSCFNB-GFCCVEGCSA-N -1 1 387.420 2.139 20 0 GEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000669646601 652710509 /nfs/dbraw/zinc/71/05/09/652710509.db2.gz WJCBQHHGSCCMOW-UHFFFAOYSA-N -1 1 390.870 2.187 20 0 GEADMM COC[C@@]1(C(=O)[O-])CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000635318121 652714240 /nfs/dbraw/zinc/71/42/40/652714240.db2.gz QGPOJGHQWPQEEK-MRXNPFEDSA-N -1 1 385.251 2.497 20 0 GEADMM O=C(COc1cccc(Br)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000670405299 652745806 /nfs/dbraw/zinc/74/58/06/652745806.db2.gz ASRRRTKTJDEKFL-UHFFFAOYSA-N -1 1 382.214 2.323 20 0 GEADMM CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CCCc1nn[n-]n1 ZINC000635765840 652752996 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654331871 /nfs/dbraw/zinc/33/18/71/654331871.db2.gz KVWBHDZWKPTVFZ-HNNXBMFYSA-N -1 1 384.841 2.245 20 0 GEADMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)s1 ZINC000804990993 654331911 /nfs/dbraw/zinc/33/19/11/654331911.db2.gz COLKSAZJTNBRLV-UHFFFAOYSA-N -1 1 393.332 2.085 20 0 GEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(c2ccccc2)CCOCC1 ZINC000872436098 654334716 /nfs/dbraw/zinc/33/47/16/654334716.db2.gz QSCFBRKZHSBCKJ-XMMPIXPASA-N -1 1 388.555 2.466 20 0 GEADMM CCc1cc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)on1 ZINC000805014566 654335179 /nfs/dbraw/zinc/33/51/79/654335179.db2.gz DOEQXHBTDKFPMA-UHFFFAOYSA-N -1 1 398.384 2.009 20 0 GEADMM O=S(=O)([N-][C@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000921863389 654335274 /nfs/dbraw/zinc/33/52/74/654335274.db2.gz OYQVJAOAGCMDLU-OIBJUYFYSA-N -1 1 378.294 2.346 20 0 GEADMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@H]([C@H]1CCOC1)C(F)(F)F ZINC000921863861 654335386 /nfs/dbraw/zinc/33/53/86/654335386.db2.gz QSQWMBBOYLUFFG-GXTWGEPZSA-N -1 1 383.436 2.402 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2)c(Br)n1C ZINC000805015754 654335631 /nfs/dbraw/zinc/33/56/31/654335631.db2.gz SKQOOZGITGNYGS-WFASDCNBSA-N -1 1 384.299 2.500 20 0 GEADMM COc1ccc(COCCC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1 ZINC000872444495 654337800 /nfs/dbraw/zinc/33/78/00/654337800.db2.gz CLVUPJGCABUYBA-XMMPIXPASA-N -1 1 392.543 2.333 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(Br)n1C ZINC000805041855 654340393 /nfs/dbraw/zinc/34/03/93/654340393.db2.gz GBOJAHCWFQBXOM-BFHYXJOUSA-N -1 1 396.310 2.498 20 0 GEADMM COc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c(C)c1OC ZINC000921928594 654343883 /nfs/dbraw/zinc/34/38/83/654343883.db2.gz VUCKMGOMSXXPPW-HSZRJFAPSA-N -1 1 378.516 2.243 20 0 GEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ncccc2Cl)C1 ZINC000872462510 654344498 /nfs/dbraw/zinc/34/44/98/654344498.db2.gz VQOXDGKOKDAKOC-BSNNYGBQSA-N -1 1 394.950 2.044 20 0 GEADMM Cc1nc2nc(S(=O)(=O)CC[C@H](O)C(C)C)[n-]c2cc1Br ZINC000905249865 654344584 /nfs/dbraw/zinc/34/45/84/654344584.db2.gz OCBBOPURBQSAPL-NSHDSACASA-N -1 1 376.276 2.210 20 0 GEADMM Cc1[n-]c2nc(S(=O)(=O)CC[C@H](O)C(C)C)nc-2cc1Br ZINC000905249865 654344594 /nfs/dbraw/zinc/34/45/94/654344594.db2.gz OCBBOPURBQSAPL-NSHDSACASA-N -1 1 376.276 2.210 20 0 GEADMM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000921966515 654349207 /nfs/dbraw/zinc/34/92/07/654349207.db2.gz KROCSITYRMREEJ-NSHDSACASA-N -1 1 383.779 2.104 20 0 GEADMM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000921968579 654349328 /nfs/dbraw/zinc/34/93/28/654349328.db2.gz YOIODAIUECTPQM-LLVKDONJSA-N -1 1 384.672 2.392 20 0 GEADMM Cn1ccnc1[C@@](O)(CC(=O)NCc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000834829392 654351658 /nfs/dbraw/zinc/35/16/58/654351658.db2.gz WFESQMQTIVFMAF-AWEZNQCLSA-N -1 1 377.750 2.236 20 0 GEADMM CCC[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)S(N)(=O)=O ZINC000854431920 654360710 /nfs/dbraw/zinc/36/07/10/654360710.db2.gz DSAYRAJXFMYEJU-SECBINFHSA-N -1 1 385.667 2.204 20 0 GEADMM O=S(=O)([N-]Cc1noc2c1COCC2)c1sccc1Br ZINC000922077765 654364370 /nfs/dbraw/zinc/36/43/70/654364370.db2.gz YTLMKBTUTFWGIU-UHFFFAOYSA-N -1 1 379.257 2.050 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOC(C)C)c1cccc(C(F)(F)F)c1 ZINC000872542894 654368432 /nfs/dbraw/zinc/36/84/32/654368432.db2.gz HQBMIVGOGYXLKE-ZDUSSCGKSA-N -1 1 383.388 2.264 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C[C@H](OC(C)(C)C)C12CCOCC2 ZINC000922113720 654368891 /nfs/dbraw/zinc/36/88/91/654368891.db2.gz ZLEJIOGSOIKRQS-KBPBESRZSA-N -1 1 396.575 2.081 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C23CCOCC3)c1Cl ZINC000922114505 654368963 /nfs/dbraw/zinc/36/89/63/654368963.db2.gz NSIGLAJZRYEGDT-RYUDHWBXSA-N -1 1 391.921 2.105 20 0 GEADMM O=C(N[C@@H](CCO)C(F)(F)F)c1cc(I)ccc1[O-] ZINC000854615602 654370659 /nfs/dbraw/zinc/37/06/59/654370659.db2.gz AFUHZDJRNHSZMC-VIFPVBQESA-N -1 1 389.111 2.040 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC23CCC3)c(F)c1 ZINC000872651043 654385408 /nfs/dbraw/zinc/38/54/08/654385408.db2.gz SKWYRHLCIFNLEB-CQSZACIVSA-N -1 1 376.475 2.198 20 0 GEADMM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000906064646 654412149 /nfs/dbraw/zinc/41/21/49/654412149.db2.gz MUVKMAJDXUVYLF-HSZRJFAPSA-N -1 1 377.532 2.310 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]c1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000906073191 654414338 /nfs/dbraw/zinc/41/43/38/654414338.db2.gz OKBUKWMVYKBHTJ-QWJLCTJOSA-N -1 1 389.543 2.070 20 0 GEADMM O=S(=O)([N-]C[C@]1(C(F)(F)F)CCCN1)c1cscc1Br ZINC000923684512 654476483 /nfs/dbraw/zinc/47/64/83/654476483.db2.gz CDYRKAGNEHRHHH-VIFPVBQESA-N -1 1 393.250 2.473 20 0 GEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(I)s2)o1 ZINC000907041356 654502885 /nfs/dbraw/zinc/50/28/85/654502885.db2.gz NJRXWBMMSVZESS-RXMQYKEDSA-N -1 1 399.235 2.084 20 0 GEADMM CC(C)(F)CNS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907310628 654530210 /nfs/dbraw/zinc/53/02/10/654530210.db2.gz AMGNWCWCQIRFBZ-UHFFFAOYSA-N -1 1 384.395 2.324 20 0 GEADMM O=S(=O)([N-]Cc1ccc(OCC(F)(F)F)nn1)c1ccc(C(F)F)o1 ZINC000907365931 654536761 /nfs/dbraw/zinc/53/67/61/654536761.db2.gz RUAYGLYSQBGORJ-UHFFFAOYSA-N -1 1 387.286 2.427 20 0 GEADMM O=C(c1ccc(OC(F)(F)Cl)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477018 654547461 /nfs/dbraw/zinc/54/74/61/654547461.db2.gz DSDMLMVYXHNAKZ-SNVBAGLBSA-N -1 1 375.788 2.298 20 0 GEADMM CC[C@](O)(CCC(F)(F)F)C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000907477501 654547500 /nfs/dbraw/zinc/54/75/00/654547500.db2.gz YCVIUHBTKJNOEX-VIFPVBQESA-N -1 1 383.314 2.190 20 0 GEADMM O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480131 654548112 /nfs/dbraw/zinc/54/81/12/654548112.db2.gz QHQVOOLZHDQJIN-JTQLQIEISA-N -1 1 384.252 2.085 20 0 GEADMM Cc1ccc(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c(Br)c1 ZINC000907481597 654548295 /nfs/dbraw/zinc/54/82/95/654548295.db2.gz XFLUGWWVRGIZPY-LBPRGKRZSA-N -1 1 382.287 2.130 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(Cc2ccoc2)C2CC2)c(F)c1 ZINC000907824055 654581208 /nfs/dbraw/zinc/58/12/08/654581208.db2.gz UQHXZWKYFBTKNL-UHFFFAOYSA-N -1 1 388.442 2.144 20 0 GEADMM CC(C)(C)c1coc(C[N-]S(=O)(=O)c2cccnc2OCC(F)F)n1 ZINC000907953727 654592539 /nfs/dbraw/zinc/59/25/39/654592539.db2.gz UPPZCOSYEHSFEC-UHFFFAOYSA-N -1 1 375.397 2.490 20 0 GEADMM COCCO[C@]12CCC[C@@]1([N-]S(=O)(=O)c1c(F)cccc1Cl)CCO2 ZINC000908048788 654600188 /nfs/dbraw/zinc/60/01/88/654600188.db2.gz ZTTUMNXBXZWPNM-HZPDHXFCSA-N -1 1 393.864 2.460 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCC(C)(C)O2)c(Br)n1C ZINC000908099743 654604149 /nfs/dbraw/zinc/60/41/49/654604149.db2.gz RKVGBFAQXNRCDW-SNVBAGLBSA-N -1 1 380.308 2.117 20 0 GEADMM COC(=O)C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)CCS2 ZINC000908260050 654617487 /nfs/dbraw/zinc/61/74/87/654617487.db2.gz KYDGQXMIAWHYPV-YWFMTQBDSA-N -1 1 391.461 2.461 20 0 GEADMM COC(=O)C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)CCS2 ZINC000908261785 654617550 /nfs/dbraw/zinc/61/75/50/654617550.db2.gz ZQHANVAYPNMFIN-NOEPWBJOSA-N -1 1 391.461 2.461 20 0 GEADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000908394626 654625066 /nfs/dbraw/zinc/62/50/66/654625066.db2.gz BXDDPGAUGWFJEW-JCVNQNCUSA-N -1 1 383.857 2.059 20 0 GEADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000908397463 654625375 /nfs/dbraw/zinc/62/53/75/654625375.db2.gz VAGZDYABTXCTRV-CLOOOTJHSA-N -1 1 383.857 2.059 20 0 GEADMM O=C(Nc1cccc([O-])c1Br)[C@H]1COCCN1CC(F)(F)F ZINC000908706973 654638230 /nfs/dbraw/zinc/63/82/30/654638230.db2.gz CFCVDNQSFKMWTK-SECBINFHSA-N -1 1 383.164 2.356 20 0 GEADMM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc([O-])c1Br ZINC000908708166 654638249 /nfs/dbraw/zinc/63/82/49/654638249.db2.gz PAKHKWTZCKXGNX-AOOOYVTPSA-N -1 1 379.210 2.044 20 0 GEADMM O=C(CCCS(=O)(=O)N1CCCC1)Nc1cccc([O-])c1Br ZINC000908714495 654638654 /nfs/dbraw/zinc/63/86/54/654638654.db2.gz BNZQAUHJFAZEPR-UHFFFAOYSA-N -1 1 391.287 2.299 20 0 GEADMM COC(=O)[C@H]1CCCC[C@@H]1COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000908920316 654645964 /nfs/dbraw/zinc/64/59/64/654645964.db2.gz BYRDZYCJPARDGW-MNOVXSKESA-N -1 1 375.468 2.256 20 0 GEADMM CN1CC[C@H](CNC(=O)N[C@@H](CF)C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000909108708 654652847 /nfs/dbraw/zinc/65/28/47/654652847.db2.gz VZAWESNBEMAFBK-SWHYSGLUSA-N -1 1 375.803 2.194 20 0 GEADMM CN(Cc1csc(Br)c1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909404985 654663383 /nfs/dbraw/zinc/66/33/83/654663383.db2.gz SMMPTZNFIGKWMT-LLVKDONJSA-N -1 1 375.288 2.266 20 0 GEADMM C[C@@H](Cc1ccccc1Br)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909414979 654664044 /nfs/dbraw/zinc/66/40/44/654664044.db2.gz KVDDYHZSDASMFV-JSGCOSHPSA-N -1 1 383.286 2.293 20 0 GEADMM O=C([O-])c1ccc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)c(Br)c1 ZINC000909673037 654671076 /nfs/dbraw/zinc/67/10/76/654671076.db2.gz PUBHWGGTWTZYMB-VIFPVBQESA-N -1 1 378.226 2.292 20 0 GEADMM O=C([O-])[C@H](F)C1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000910133016 654688862 /nfs/dbraw/zinc/68/88/62/654688862.db2.gz DUYLHXHYLHOVRA-CYBMUJFWSA-N -1 1 382.189 2.334 20 0 GEADMM Cc1cc(CC(=O)N[C@]2(C(=O)[O-])CCc3cc(Br)ccc3C2)[nH]n1 ZINC000910227338 654693008 /nfs/dbraw/zinc/69/30/08/654693008.db2.gz DOTAOKHDCAZDAQ-QGZVFWFLSA-N -1 1 392.253 2.152 20 0 GEADMM O=C([O-])[C@@]1(NC(=O)CCc2cnc[nH]2)CCc2cc(Br)ccc2C1 ZINC000910226834 654693052 /nfs/dbraw/zinc/69/30/52/654693052.db2.gz CLTPXWYBGWQING-QGZVFWFLSA-N -1 1 392.253 2.233 20 0 GEADMM CCN(CC(=O)N[C@@]1(C(=O)[O-])CCc2cc(Br)ccc2C1)C1CC1 ZINC000910228980 654693397 /nfs/dbraw/zinc/69/33/97/654693397.db2.gz MVCRRJLQALFVCI-SFHVURJKSA-N -1 1 395.297 2.362 20 0 GEADMM C[C@]1(C(=O)[O-])CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 ZINC000910318038 654695796 /nfs/dbraw/zinc/69/57/96/654695796.db2.gz PJNGXGHDNJSDCI-MRXNPFEDSA-N -1 1 394.225 2.155 20 0 GEADMM COC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC000910349779 654696970 /nfs/dbraw/zinc/69/69/70/654696970.db2.gz GHFWAUTZGQOVMT-UKRRQHHQSA-N -1 1 399.285 2.049 20 0 GEADMM CN(CC(=O)N1CCC(Cc2nc(C(=O)[O-])cs2)CC1)[C@H]1CCSC1 ZINC000910790442 654711136 /nfs/dbraw/zinc/71/11/36/654711136.db2.gz KTPOJYCCJZGWLW-ZDUSSCGKSA-N -1 1 383.539 2.060 20 0 GEADMM C[C@](CO)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC000911760072 654731137 /nfs/dbraw/zinc/73/11/37/654731137.db2.gz YZOHBTMRYZKDIX-PIGZYNQJSA-N -1 1 389.279 2.114 20 0 GEADMM CSCC[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1nn[n-]n1 ZINC000912861756 654771830 /nfs/dbraw/zinc/77/18/30/654771830.db2.gz WRJMYZVVOLRIPM-VIFPVBQESA-N -1 1 392.229 2.465 20 0 GEADMM CSCC[C@H](NC(=O)c1cc(F)c(F)cc1Br)c1nn[n-]n1 ZINC000912861761 654771872 /nfs/dbraw/zinc/77/18/72/654771872.db2.gz WZFGXOLFMVSQOI-JTQLQIEISA-N -1 1 392.229 2.465 20 0 GEADMM CSCC[C@H](NC(=O)Cc1cc(Br)ccc1C)c1nn[n-]n1 ZINC000912862800 654772189 /nfs/dbraw/zinc/77/21/89/654772189.db2.gz CVTCCJVUSRRFPM-LBPRGKRZSA-N -1 1 384.303 2.424 20 0 GEADMM O=C(c1ccc(I)cc1[O-])N1CC2CC1(c1ncc[nH]1)C2 ZINC000912967686 654777100 /nfs/dbraw/zinc/77/71/00/654777100.db2.gz ROAWXJRHUSAXNT-UHFFFAOYSA-N -1 1 395.200 2.481 20 0 GEADMM O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742589 654807089 /nfs/dbraw/zinc/80/70/89/654807089.db2.gz KMPFHYMTTCZHLG-UHFFFAOYSA-N -1 1 375.230 2.463 20 0 GEADMM O=C(CSc1cccc(Br)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744648 654807213 /nfs/dbraw/zinc/80/72/13/654807213.db2.gz XSCRPVWDYVWFDW-UHFFFAOYSA-N -1 1 382.287 2.461 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC(=O)OC(C)C)c1F ZINC000913868226 654812406 /nfs/dbraw/zinc/81/24/06/654812406.db2.gz AUMKFDUEWBYSTD-UHFFFAOYSA-N -1 1 398.250 2.217 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c1F ZINC000913884392 654813411 /nfs/dbraw/zinc/81/34/11/654813411.db2.gz RPTRQTSVDYTLQG-VIFPVBQESA-N -1 1 382.251 2.444 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@]2(C)CCOC2)c1F ZINC000914107428 654826878 /nfs/dbraw/zinc/82/68/78/654826878.db2.gz GBVGEAGCMMPTCF-CYBMUJFWSA-N -1 1 382.251 2.302 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CO)CC(C)C)c1F ZINC000914139686 654829226 /nfs/dbraw/zinc/82/92/26/654829226.db2.gz DMDBLPZTMVATOA-SECBINFHSA-N -1 1 384.267 2.282 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@](C)(O)C(C)C)c1F ZINC000914159899 654830578 /nfs/dbraw/zinc/83/05/78/654830578.db2.gz QVONSJCOPQNLPN-ZDUSSCGKSA-N -1 1 384.267 2.282 20 0 GEADMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914161452 654830902 /nfs/dbraw/zinc/83/09/02/654830902.db2.gz YTIHRMXWJVJZPG-WCBMZHEXSA-N -1 1 384.267 2.282 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C[C@H](C)O)c1F ZINC000914172859 654832074 /nfs/dbraw/zinc/83/20/74/654832074.db2.gz VWSTTZYSBGSSFA-IUCAKERBSA-N -1 1 384.267 2.282 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCOC2)c1F ZINC000914187790 654833731 /nfs/dbraw/zinc/83/37/31/654833731.db2.gz IGKJNWRIEMPYLH-BDAKNGLRSA-N -1 1 382.251 2.300 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C2CCC2)c1)c1ccc(Cl)cc1 ZINC000914210989 654835625 /nfs/dbraw/zinc/83/56/25/654835625.db2.gz YPJYUJXMKBPZIX-HNNXBMFYSA-N -1 1 383.857 2.454 20 0 GEADMM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914254535 654839072 /nfs/dbraw/zinc/83/90/72/654839072.db2.gz MOCAXKQHELKOMQ-MRVPVSSYSA-N -1 1 398.250 2.074 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000914306006 654843704 /nfs/dbraw/zinc/84/37/04/654843704.db2.gz WOFOSUUHUNAELJ-JTQLQIEISA-N -1 1 376.406 2.285 20 0 GEADMM O=S(=O)(Cc1cccc(F)c1Br)[N-]Cc1nnc(C2CC2)o1 ZINC000914395439 654850926 /nfs/dbraw/zinc/85/09/26/654850926.db2.gz JJWURTPOKJYYLK-UHFFFAOYSA-N -1 1 390.234 2.468 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c1F ZINC000914401214 654851555 /nfs/dbraw/zinc/85/15/55/654851555.db2.gz FOYFSTAQOJFNBJ-ONGXEEELSA-N -1 1 396.278 2.426 20 0 GEADMM O=S(=O)(Cc1cccc(Cl)c1Br)[N-]CC1OCCCO1 ZINC000914421573 654852938 /nfs/dbraw/zinc/85/29/38/654852938.db2.gz YYSCOPABSOSPLF-UHFFFAOYSA-N -1 1 384.679 2.285 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)c1F ZINC000914999829 654860218 /nfs/dbraw/zinc/86/02/18/654860218.db2.gz CFZURZDEEUPZDC-PSASIEDQSA-N -1 1 382.251 2.300 20 0 GEADMM O=S(=O)(Cc1cc2c(cc1Br)OCO2)[N-]C1(C(F)F)CC1 ZINC000915278004 654867380 /nfs/dbraw/zinc/86/73/80/654867380.db2.gz MNPHFWPKHFMKNB-UHFFFAOYSA-N -1 1 384.198 2.395 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CCCOC(F)F ZINC000915310783 654868408 /nfs/dbraw/zinc/86/84/08/654868408.db2.gz WNRCQSQRBCRMRD-HSZRJFAPSA-N -1 1 396.359 2.497 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)NCc1cccs1 ZINC000915876177 654881467 /nfs/dbraw/zinc/88/14/67/654881467.db2.gz KNSINILBCGPRSA-VIFPVBQESA-N -1 1 388.492 2.043 20 0 GEADMM CC(C)N(C(=O)[C@@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O)C(C)C ZINC000915902936 654882103 /nfs/dbraw/zinc/88/21/03/654882103.db2.gz NUOQTWOUUNMOHN-LLVKDONJSA-N -1 1 376.500 2.310 20 0 GEADMM C[C@]1(CC(=O)Nc2c([O-])cc(Br)cc2Cl)CCS(=O)(=O)N1 ZINC000935950752 654929505 /nfs/dbraw/zinc/92/95/05/654929505.db2.gz QERMXWQOLUDFKJ-GFCCVEGCSA-N -1 1 397.678 2.219 20 0 GEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1scnc1Cl ZINC000996596835 654948944 /nfs/dbraw/zinc/94/89/44/654948944.db2.gz ONAQSFHLCOGUBM-UTLUCORTSA-N -1 1 378.841 2.073 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cccc(Br)c3C2)co1 ZINC000152462746 531552190 /nfs/dbraw/zinc/55/21/90/531552190.db2.gz MYIHCVLJVLQHHN-UHFFFAOYSA-N -1 1 399.266 2.149 20 0 GEADMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000007055086 531536096 /nfs/dbraw/zinc/53/60/96/531536096.db2.gz UPYGGBVYZJPIGR-UHFFFAOYSA-N -1 1 384.454 2.411 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1 ZINC000152615323 531561259 /nfs/dbraw/zinc/56/12/59/531561259.db2.gz QTGXLMRKGOWSRE-UHFFFAOYSA-N -1 1 384.479 2.313 20 0 GEADMM CSc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000016101256 531569921 /nfs/dbraw/zinc/56/99/21/531569921.db2.gz VTHSZGNHXXOLKU-UHFFFAOYSA-N -1 1 386.520 2.460 20 0 GEADMM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000153250520 531593273 /nfs/dbraw/zinc/59/32/73/531593273.db2.gz VRTFJWKIKCCZJA-UHFFFAOYSA-N -1 1 386.779 2.089 20 0 GEADMM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1cc(Br)c(=O)n(C)c1)c2=O ZINC000153392734 531597907 /nfs/dbraw/zinc/59/79/07/531597907.db2.gz SHRAHAJNIDHNPH-UHFFFAOYSA-N -1 1 389.209 2.357 20 0 GEADMM Cc1ccc2c([O-])c(C(=O)Nc3cc(Br)c(=O)n(C)c3)cnc2n1 ZINC000153392734 531597914 /nfs/dbraw/zinc/59/79/14/531597914.db2.gz SHRAHAJNIDHNPH-UHFFFAOYSA-N -1 1 389.209 2.357 20 0 GEADMM NC(=O)c1cccc(CNC(=O)c2cc(I)ccc2[O-])c1 ZINC000025333283 531613965 /nfs/dbraw/zinc/61/39/65/531613965.db2.gz PKPFWHLSWHTOOV-UHFFFAOYSA-N -1 1 396.184 2.026 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000028258635 531631808 /nfs/dbraw/zinc/63/18/08/531631808.db2.gz OUHVDHOCOJPTRE-UHFFFAOYSA-N -1 1 382.825 2.416 20 0 GEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000031720882 531644894 /nfs/dbraw/zinc/64/48/94/531644894.db2.gz DNIBYMFMWWOJHD-UHFFFAOYSA-N -1 1 384.841 2.265 20 0 GEADMM O=S(=O)(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)ccc1Br ZINC000156045651 531710284 /nfs/dbraw/zinc/71/02/84/531710284.db2.gz PVIBYVRGZHONEL-GFCCVEGCSA-N -1 1 377.279 2.351 20 0 GEADMM O=S(=O)(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)ccc1Br ZINC000156045784 531711070 /nfs/dbraw/zinc/71/10/70/531711070.db2.gz PVIBYVRGZHONEL-LBPRGKRZSA-N -1 1 377.279 2.351 20 0 GEADMM CN(C)c1cc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)ccn1 ZINC000047078765 531711161 /nfs/dbraw/zinc/71/11/61/531711161.db2.gz HFYGWRCMVBEYLG-UHFFFAOYSA-N -1 1 375.483 2.238 20 0 GEADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000048444839 531732223 /nfs/dbraw/zinc/73/22/23/531732223.db2.gz DHTDKQOFXCQGCN-UHFFFAOYSA-N -1 1 395.344 2.436 20 0 GEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC000055595757 531796199 /nfs/dbraw/zinc/79/61/99/531796199.db2.gz OBXYUKXPLHNPFT-UHFFFAOYSA-N -1 1 375.859 2.065 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(=O)Nc1c(C)cc(C)cc1C ZINC000055969937 531799913 /nfs/dbraw/zinc/79/99/13/531799913.db2.gz IIDYFBSSBGNZCV-UHFFFAOYSA-N -1 1 384.889 2.224 20 0 GEADMM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000056062140 531803875 /nfs/dbraw/zinc/80/38/75/531803875.db2.gz SODHZCCDIKUMEF-UHFFFAOYSA-N -1 1 378.416 2.419 20 0 GEADMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1 ZINC000064475068 531865366 /nfs/dbraw/zinc/86/53/66/531865366.db2.gz HUFZYHXZBZNPDX-UHFFFAOYSA-N -1 1 382.463 2.239 20 0 GEADMM O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000067147511 531876166 /nfs/dbraw/zinc/87/61/66/531876166.db2.gz NUDSRVJQEHSSTP-GFCCVEGCSA-N -1 1 384.201 2.464 20 0 GEADMM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000171424911 531906504 /nfs/dbraw/zinc/90/65/04/531906504.db2.gz BNIWOPFQFGGZOV-UHFFFAOYSA-N -1 1 399.257 2.168 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1Cl ZINC000068216180 531901018 /nfs/dbraw/zinc/90/10/18/531901018.db2.gz MROAASVWNJZFID-UHFFFAOYSA-N -1 1 380.809 2.423 20 0 GEADMM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000078555380 531920551 /nfs/dbraw/zinc/92/05/51/531920551.db2.gz VQMKTUKBZHMHAL-UHFFFAOYSA-N -1 1 378.416 2.419 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)c(F)c1 ZINC000115845712 531959417 /nfs/dbraw/zinc/95/94/17/531959417.db2.gz ZIDBPBWFVFJOSL-UHFFFAOYSA-N -1 1 392.861 2.329 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc(C)c1F ZINC000172882688 531972614 /nfs/dbraw/zinc/97/26/14/531972614.db2.gz JKYCCUDMIYAYKL-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1Cl ZINC000120757244 531994505 /nfs/dbraw/zinc/99/45/05/531994505.db2.gz CRBBKIOZDGOGRM-CQSZACIVSA-N -1 1 383.857 2.274 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ccc([S@@](C)=O)c(F)c2)c(=O)[n-]1 ZINC000173217897 531996158 /nfs/dbraw/zinc/99/61/58/531996158.db2.gz WRBQTAKOGXINRA-RUZDIDTESA-N -1 1 383.470 2.248 20 0 GEADMM Cn1cc(N2CCC[C@H](NC(=O)c3ccc(Br)cc3[O-])C2)cn1 ZINC000173467476 532013664 /nfs/dbraw/zinc/01/36/64/532013664.db2.gz WFQBCAJXVBPOMG-LBPRGKRZSA-N -1 1 379.258 2.287 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCCS2(=O)=O)c1 ZINC000121352050 532025219 /nfs/dbraw/zinc/02/52/19/532025219.db2.gz VKCFOOVQTYGBQY-UHFFFAOYSA-N -1 1 384.454 2.475 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCOCC2)c1Cl ZINC000121447082 532030285 /nfs/dbraw/zinc/03/02/85/532030285.db2.gz YYFHEYXANSGRDR-UHFFFAOYSA-N -1 1 391.827 2.336 20 0 GEADMM NS(=O)(=O)c1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)co1 ZINC000122542277 532074449 /nfs/dbraw/zinc/07/44/49/532074449.db2.gz XHHOFAYDDJJXQI-UHFFFAOYSA-N -1 1 398.853 2.275 20 0 GEADMM C[C@H](CO)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000122835049 532083762 /nfs/dbraw/zinc/08/37/62/532083762.db2.gz KZRHVANXQBXDSS-RXMQYKEDSA-N -1 1 391.056 2.010 20 0 GEADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000124298054 532118250 /nfs/dbraw/zinc/11/82/50/532118250.db2.gz ASWQWLNEVOPBFT-NSHDSACASA-N -1 1 393.273 2.195 20 0 GEADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1cc(I)ccc1[O-] ZINC000175772327 532114121 /nfs/dbraw/zinc/11/41/21/532114121.db2.gz PXIQALARWDVWRK-ONGXEEELSA-N -1 1 375.206 2.278 20 0 GEADMM Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000124618140 532126010 /nfs/dbraw/zinc/12/60/10/532126010.db2.gz MWFBNTVRIFXDGW-OAHLLOKOSA-N -1 1 394.269 2.474 20 0 GEADMM CCOc1c(Br)cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1OC ZINC000124633179 532126279 /nfs/dbraw/zinc/12/62/79/532126279.db2.gz LGINSXNTFDDRQM-SECBINFHSA-N -1 1 398.261 2.245 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(F)cccc1Cl)N1CCc2ccccc2C1 ZINC000131518422 532198632 /nfs/dbraw/zinc/19/86/32/532198632.db2.gz QJYYMLDCOHPZIB-UHFFFAOYSA-N -1 1 382.844 2.342 20 0 GEADMM NC(=O)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)Cc1ccc(F)cc1 ZINC000131618948 532200803 /nfs/dbraw/zinc/20/08/03/532200803.db2.gz ZVUNAFGRHMERKM-LLVKDONJSA-N -1 1 388.823 2.241 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1nnnn1-c1ccccc1 ZINC000132441571 532215900 /nfs/dbraw/zinc/21/59/00/532215900.db2.gz APPPLQFKIAQYTP-JTQLQIEISA-N -1 1 381.820 2.494 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Br)cc2C)co1 ZINC000133270574 532230625 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CCC[C@H](NC(=O)C=Cc1ccc(I)o1)c1nn[n-]n1 ZINC000136650570 532285392 /nfs/dbraw/zinc/28/53/92/532285392.db2.gz ZYCOQIQUAWIUFM-IWGCBNPKSA-N -1 1 387.181 2.068 20 0 GEADMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000181215637 532293159 /nfs/dbraw/zinc/29/31/59/532293159.db2.gz DWIXMAOGBGWHLO-UHFFFAOYSA-N -1 1 398.359 2.444 20 0 GEADMM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000181398772 532298181 /nfs/dbraw/zinc/29/81/81/532298181.db2.gz JLQJMXJEPSZGFN-WKEGUHRASA-N -1 1 390.271 2.118 20 0 GEADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)c(C)o1 ZINC000182126699 532309499 /nfs/dbraw/zinc/30/94/99/532309499.db2.gz OVRQGXFHYHCWBC-UHFFFAOYSA-N -1 1 384.464 2.328 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)o1 ZINC000182122233 532309793 /nfs/dbraw/zinc/30/97/93/532309793.db2.gz PGTABHJHRXTKOS-GFCCVEGCSA-N -1 1 384.841 2.485 20 0 GEADMM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(OCC(F)(F)F)nc1 ZINC000182413635 532312901 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CC(C)(NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12)c1nn[n-]n1 ZINC000467392609 532445526 /nfs/dbraw/zinc/44/55/26/532445526.db2.gz IAIQWGDCPJVCIV-LRDDRELGSA-N -1 1 376.258 2.218 20 0 GEADMM COC1(C[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C(=O)[O-])CCC1 ZINC000650433488 532447978 /nfs/dbraw/zinc/44/79/78/532447978.db2.gz AIFISUUUPGMPRO-SNVBAGLBSA-N -1 1 383.800 2.309 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1Cl ZINC000373435863 532451383 /nfs/dbraw/zinc/45/13/83/532451383.db2.gz LQNLNTJOADSRFM-NSHDSACASA-N -1 1 392.909 2.141 20 0 GEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000194599750 532454505 /nfs/dbraw/zinc/45/45/05/532454505.db2.gz ZSFMPQGKFZGQQZ-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM CCN(C)S(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000467771828 532454735 /nfs/dbraw/zinc/45/47/35/532454735.db2.gz XPOOOLZVNSAQCJ-UHFFFAOYSA-N -1 1 387.458 2.235 20 0 GEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Sc2nncn2C)c(Cl)c1 ZINC000282299351 532455577 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CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000685002759 532489734 /nfs/dbraw/zinc/48/97/34/532489734.db2.gz KHUOTBLOXOQHQJ-UHFFFAOYSA-N -1 1 384.454 2.412 20 0 GEADMM COC(=O)CC[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)OC(C)(C)C ZINC000593615152 532489832 /nfs/dbraw/zinc/48/98/32/532489832.db2.gz LTMQCPSZINUUFF-JTQLQIEISA-N -1 1 397.902 2.343 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc2ccsc21 ZINC000469216764 532497252 /nfs/dbraw/zinc/49/72/52/532497252.db2.gz MPWPJHINTPUYKH-UHFFFAOYSA-N -1 1 397.503 2.080 20 0 GEADMM CC(C)(C)C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000651806892 532496253 /nfs/dbraw/zinc/49/62/53/532496253.db2.gz BOVJQWHADXXZLV-GXFFZTMASA-N -1 1 378.491 2.300 20 0 GEADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000685784540 532496415 /nfs/dbraw/zinc/49/64/15/532496415.db2.gz NVJBBIVLRHPLEG-QWRGUYRKSA-N -1 1 395.308 2.203 20 0 GEADMM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cn1)C(F)(F)F ZINC000468759732 532474116 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/nfs/dbraw/zinc/89/06/83/532890683.db2.gz HCDJJYVIWPCGIK-UHFFFAOYSA-N -1 1 375.416 2.475 20 0 GEADMM O=C(CSCc1ccccn1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291047706 532895868 /nfs/dbraw/zinc/89/58/68/532895868.db2.gz GSZBQRRPIWMNHH-GFCCVEGCSA-N -1 1 375.416 2.232 20 0 GEADMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000291640364 532905718 /nfs/dbraw/zinc/90/57/18/532905718.db2.gz ADMAOAZGHCJUEU-UHFFFAOYSA-N -1 1 392.886 2.081 20 0 GEADMM CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCO1 ZINC000291653349 532906445 /nfs/dbraw/zinc/90/64/45/532906445.db2.gz UUNIPESABFYRGU-NSHDSACASA-N -1 1 395.308 2.299 20 0 GEADMM CN1C(=O)CSC12CCN(C(=O)c1cc(Br)ccc1[O-])CC2 ZINC000364360462 532906520 /nfs/dbraw/zinc/90/65/20/532906520.db2.gz MLGLLCUUQCUWQJ-UHFFFAOYSA-N -1 1 385.283 2.292 20 0 GEADMM O=C([N-]CC1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000291759497 532908397 /nfs/dbraw/zinc/90/83/97/532908397.db2.gz UTEPNSMJSDVKQU-CYBMUJFWSA-N -1 1 378.778 2.291 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)NCc2ccc(Cl)cn2)C1)C(F)(F)F ZINC000292407129 532916071 /nfs/dbraw/zinc/91/60/71/532916071.db2.gz NEHFNSSPQPRVIG-SNVBAGLBSA-N -1 1 378.782 2.335 20 0 GEADMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)o1 ZINC000292121228 532913528 /nfs/dbraw/zinc/91/35/28/532913528.db2.gz WUHOHDRNDLMGBP-UHFFFAOYSA-N -1 1 388.467 2.271 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H](O)c2ccccc2Cl)C1)C(F)(F)F ZINC000292123601 532913554 /nfs/dbraw/zinc/91/35/54/532913554.db2.gz RPDZOZWCPCAPGO-GXFFZTMASA-N -1 1 378.778 2.291 20 0 GEADMM O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366729826 532920818 /nfs/dbraw/zinc/92/08/18/532920818.db2.gz GJHJEGHZKUZWFP-KWCYVHTRSA-N -1 1 376.258 2.472 20 0 GEADMM CO[C@H](C)CS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000367038121 532922518 /nfs/dbraw/zinc/92/25/18/532922518.db2.gz XDAZHTXZZXMXBK-OQPBUACISA-N -1 1 377.825 2.214 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)Oc1cccc(F)c1 ZINC000293404269 532926275 /nfs/dbraw/zinc/92/62/75/532926275.db2.gz HTOXATAEFDSWNA-VIFPVBQESA-N -1 1 381.351 2.324 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c(C(F)(F)F)n1 ZINC000293427902 532926889 /nfs/dbraw/zinc/92/68/89/532926889.db2.gz JDWOGOWXLSNYFH-JTQLQIEISA-N -1 1 375.372 2.284 20 0 GEADMM CN(C)[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccsc1 ZINC000293883239 532933036 /nfs/dbraw/zinc/93/30/36/532933036.db2.gz BMSUJWJZSMPENQ-JTQLQIEISA-N -1 1 382.433 2.082 20 0 GEADMM CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Br)cc1[O-] ZINC000368803225 532934686 /nfs/dbraw/zinc/93/46/86/532934686.db2.gz BQMSCFPVCKISGO-OAHLLOKOSA-N -1 1 389.249 2.468 20 0 GEADMM O=C(N[C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(Br)cc1[O-] ZINC000370600556 532944516 /nfs/dbraw/zinc/94/45/16/532944516.db2.gz YNOJQAJGNJYVKC-ZDUSSCGKSA-N -1 1 390.237 2.194 20 0 GEADMM O=S(=O)(NCc1ccccc1CN1CC[C@H](O)C1)c1cccc(Cl)c1[O-] ZINC000632196897 450597935 /nfs/dbraw/zinc/59/79/35/450597935.db2.gz DFLVSKBDEVLZDT-HNNXBMFYSA-N -1 1 396.896 2.091 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2ccc(F)cc21 ZINC000738355896 598844481 /nfs/dbraw/zinc/84/44/81/598844481.db2.gz UOEUPCLDUHSQNA-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2ccc(F)cc21 ZINC000738355896 598844483 /nfs/dbraw/zinc/84/44/83/598844483.db2.gz UOEUPCLDUHSQNA-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM NC(=O)NCCCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737759564 598846794 /nfs/dbraw/zinc/84/67/94/598846794.db2.gz VECUBUGBVQRUQK-UHFFFAOYSA-N -1 1 399.480 2.050 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@@H]2CCCC[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551116 598848317 /nfs/dbraw/zinc/84/83/17/598848317.db2.gz FTSABOTWGABBLW-ZWNOBZJWSA-N -1 1 391.428 2.154 20 0 GEADMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)ccc1F ZINC000738213845 598867573 /nfs/dbraw/zinc/86/75/73/598867573.db2.gz ILOUUYVIIVFXIB-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000738355187 598873669 /nfs/dbraw/zinc/87/36/69/598873669.db2.gz NNXVOKTYMJLJBM-QMMMGPOBSA-N -1 1 395.794 2.483 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H](C(F)(F)F)C1 ZINC000738355187 598873670 /nfs/dbraw/zinc/87/36/70/598873670.db2.gz NNXVOKTYMJLJBM-QMMMGPOBSA-N -1 1 395.794 2.483 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCCC[C@@H]1C ZINC000737486785 598908932 /nfs/dbraw/zinc/90/89/32/598908932.db2.gz DPESTBVXTNCKNO-LBPRGKRZSA-N -1 1 382.472 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCCC[C@@H]1C ZINC000737486785 598908935 /nfs/dbraw/zinc/90/89/35/598908935.db2.gz DPESTBVXTNCKNO-LBPRGKRZSA-N -1 1 382.472 2.250 20 0 GEADMM Cc1cc(C)n(C2CN(C(=O)c3c(C)oc(-n4cccc4)c3-c3nnn[n-]3)C2)n1 ZINC000737255966 598910512 /nfs/dbraw/zinc/91/05/12/598910512.db2.gz KLQRQECJMWFVGE-UHFFFAOYSA-N -1 1 392.423 2.069 20 0 GEADMM Cc1cc(C)n(C2CN(C(=O)c3c(C)oc(-n4cccc4)c3-c3nn[n-]n3)C2)n1 ZINC000737255966 598910514 /nfs/dbraw/zinc/91/05/14/598910514.db2.gz KLQRQECJMWFVGE-UHFFFAOYSA-N -1 1 392.423 2.069 20 0 GEADMM CC1(C)CCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736212037 598929231 /nfs/dbraw/zinc/92/92/31/598929231.db2.gz VEYFNQCGWWPXGW-UHFFFAOYSA-N -1 1 397.439 2.342 20 0 GEADMM COc1ccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1OC ZINC000737089946 598934684 /nfs/dbraw/zinc/93/46/84/598934684.db2.gz ANVWYICHHORZHW-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM COc1ccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1OC ZINC000737089946 598934686 /nfs/dbraw/zinc/93/46/86/598934686.db2.gz ANVWYICHHORZHW-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM Cc1csc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@@H]2C)n1 ZINC000737453730 598941979 /nfs/dbraw/zinc/94/19/79/598941979.db2.gz YGYADNMMSABXFF-JTQLQIEISA-N -1 1 376.877 2.395 20 0 GEADMM Cc1csc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@@H]2C)n1 ZINC000737453730 598941982 /nfs/dbraw/zinc/94/19/82/598941982.db2.gz YGYADNMMSABXFF-JTQLQIEISA-N -1 1 376.877 2.395 20 0 GEADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000735485824 598946693 /nfs/dbraw/zinc/94/66/93/598946693.db2.gz WKWGOPGUNIKADI-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000737188834 598953309 /nfs/dbraw/zinc/95/33/09/598953309.db2.gz HLUWKGODXZDUEA-FZMZJTMJSA-N -1 1 388.497 2.142 20 0 GEADMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736830906 598954412 /nfs/dbraw/zinc/95/44/12/598954412.db2.gz DEUKORBVOHJACA-UHFFFAOYSA-N -1 1 385.391 2.095 20 0 GEADMM CN(Cc1nc2ccccc2c(=O)[nH]1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736830906 598954413 /nfs/dbraw/zinc/95/44/13/598954413.db2.gz DEUKORBVOHJACA-UHFFFAOYSA-N -1 1 385.391 2.095 20 0 GEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1cccs1 ZINC000738064789 598964439 /nfs/dbraw/zinc/96/44/39/598964439.db2.gz FGYBXBHWRDJLQP-UHFFFAOYSA-N -1 1 380.437 2.103 20 0 GEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1cccs1 ZINC000738064789 598964440 /nfs/dbraw/zinc/96/44/40/598964440.db2.gz FGYBXBHWRDJLQP-UHFFFAOYSA-N -1 1 380.437 2.103 20 0 GEADMM CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736676295 598983296 /nfs/dbraw/zinc/98/32/96/598983296.db2.gz DHWUBIPQVXCDPX-UHFFFAOYSA-N -1 1 377.360 2.458 20 0 GEADMM CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736676295 598983299 /nfs/dbraw/zinc/98/32/99/598983299.db2.gz DHWUBIPQVXCDPX-UHFFFAOYSA-N -1 1 377.360 2.458 20 0 GEADMM COc1ccc(OC)c(CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)c1 ZINC000737109269 598990039 /nfs/dbraw/zinc/99/00/39/598990039.db2.gz IHZHLTKFCQKRCY-UHFFFAOYSA-N -1 1 380.408 2.084 20 0 GEADMM COc1ccc(OC)c(CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)c1 ZINC000737109269 598990040 /nfs/dbraw/zinc/99/00/40/598990040.db2.gz IHZHLTKFCQKRCY-UHFFFAOYSA-N -1 1 380.408 2.084 20 0 GEADMM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738163337 598993219 /nfs/dbraw/zinc/99/32/19/598993219.db2.gz MDBCVOCBYYOWTA-UHFFFAOYSA-N -1 1 397.826 2.403 20 0 GEADMM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738163337 598993221 /nfs/dbraw/zinc/99/32/21/598993221.db2.gz MDBCVOCBYYOWTA-UHFFFAOYSA-N -1 1 397.826 2.403 20 0 GEADMM C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736292171 598993793 /nfs/dbraw/zinc/99/37/93/598993793.db2.gz ILSBKSGWSNPZKH-BETUJISGSA-N -1 1 379.424 2.128 20 0 GEADMM C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736292171 598993795 /nfs/dbraw/zinc/99/37/95/598993795.db2.gz ILSBKSGWSNPZKH-BETUJISGSA-N -1 1 379.424 2.128 20 0 GEADMM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738179407 598994689 /nfs/dbraw/zinc/99/46/89/598994689.db2.gz UCNPYZBPHIEXQF-UHFFFAOYSA-N -1 1 377.408 2.140 20 0 GEADMM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738179407 598994690 /nfs/dbraw/zinc/99/46/90/598994690.db2.gz UCNPYZBPHIEXQF-UHFFFAOYSA-N -1 1 377.408 2.140 20 0 GEADMM CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736275409 598995323 /nfs/dbraw/zinc/99/53/23/598995323.db2.gz CHMVXENRWMUMNJ-UHFFFAOYSA-N -1 1 391.435 2.386 20 0 GEADMM CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736275409 598995324 /nfs/dbraw/zinc/99/53/24/598995324.db2.gz CHMVXENRWMUMNJ-UHFFFAOYSA-N -1 1 391.435 2.386 20 0 GEADMM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(=O)NCC(C)C)c1 ZINC000737365113 598997872 /nfs/dbraw/zinc/99/78/72/598997872.db2.gz PSKDELUORBQOGB-UHFFFAOYSA-N -1 1 380.408 2.175 20 0 GEADMM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(=O)NCC(C)C)c1 ZINC000737365113 598997873 /nfs/dbraw/zinc/99/78/73/598997873.db2.gz PSKDELUORBQOGB-UHFFFAOYSA-N -1 1 380.408 2.175 20 0 GEADMM Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737619910 599000050 /nfs/dbraw/zinc/00/00/50/599000050.db2.gz XPCLSXOUCUSYGL-UHFFFAOYSA-N -1 1 378.421 2.399 20 0 GEADMM Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737619910 599000052 /nfs/dbraw/zinc/00/00/52/599000052.db2.gz XPCLSXOUCUSYGL-UHFFFAOYSA-N -1 1 378.421 2.399 20 0 GEADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736470415 599000056 /nfs/dbraw/zinc/00/00/56/599000056.db2.gz FWMADDNPAPECDL-CYBMUJFWSA-N -1 1 379.424 2.141 20 0 GEADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736470415 599000058 /nfs/dbraw/zinc/00/00/58/599000058.db2.gz FWMADDNPAPECDL-CYBMUJFWSA-N -1 1 379.424 2.141 20 0 GEADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(SC)cc1 ZINC000736912289 599003222 /nfs/dbraw/zinc/00/32/22/599003222.db2.gz PPCMQPHIIBAGCW-OAHLLOKOSA-N -1 1 398.448 2.018 20 0 GEADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(SC)cc1 ZINC000736912289 599003224 /nfs/dbraw/zinc/00/32/24/599003224.db2.gz PPCMQPHIIBAGCW-OAHLLOKOSA-N -1 1 398.448 2.018 20 0 GEADMM Cc1ccc(Cc2nnc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)s2)cc1 ZINC000737343628 599004666 /nfs/dbraw/zinc/00/46/66/599004666.db2.gz QOEQZZKMQZOZOO-UHFFFAOYSA-N -1 1 378.421 2.265 20 0 GEADMM Cc1ccc(Cc2nnc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)s2)cc1 ZINC000737343628 599004668 /nfs/dbraw/zinc/00/46/68/599004668.db2.gz QOEQZZKMQZOZOO-UHFFFAOYSA-N -1 1 378.421 2.265 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)CC1CCOCC1 ZINC000738259602 599006632 /nfs/dbraw/zinc/00/66/32/599006632.db2.gz SKVMCVDXSOSHFW-UHFFFAOYSA-N -1 1 378.436 2.331 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)CC1CCOCC1 ZINC000738259602 599006634 /nfs/dbraw/zinc/00/66/34/599006634.db2.gz SKVMCVDXSOSHFW-UHFFFAOYSA-N -1 1 378.436 2.331 20 0 GEADMM CC(C)[C@@H](O)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735732952 599022869 /nfs/dbraw/zinc/02/28/69/599022869.db2.gz DAAJNEZAOVLVRV-AWEZNQCLSA-N -1 1 386.481 2.411 20 0 GEADMM O=C(N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738035080 599028782 /nfs/dbraw/zinc/02/87/82/599028782.db2.gz JDELJVMLYAPAHK-INIZCTEOSA-N -1 1 398.430 2.006 20 0 GEADMM O=C(N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738035080 599028783 /nfs/dbraw/zinc/02/87/83/599028783.db2.gz JDELJVMLYAPAHK-INIZCTEOSA-N -1 1 398.430 2.006 20 0 GEADMM CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736827789 599031420 /nfs/dbraw/zinc/03/14/20/599031420.db2.gz HPRVGBIWPSEEHV-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736827789 599031422 /nfs/dbraw/zinc/03/14/22/599031422.db2.gz HPRVGBIWPSEEHV-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000737189163 599100176 /nfs/dbraw/zinc/10/01/76/599100176.db2.gz KIKFHAHQUAOUDV-ZYHUDNBSSA-N -1 1 388.497 2.142 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000737188647 599102795 /nfs/dbraw/zinc/10/27/95/599102795.db2.gz CZRZBKQWNHRIKS-SECBINFHSA-N -1 1 384.469 2.086 20 0 GEADMM CCc1nn(CCOc2ccc(SC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518500 599125321 /nfs/dbraw/zinc/12/53/21/599125321.db2.gz XJKXWRGVGANZHU-UHFFFAOYSA-N -1 1 386.481 2.349 20 0 GEADMM O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1sccc1-c1nn[n-]n1 ZINC000738211958 599126812 /nfs/dbraw/zinc/12/68/12/599126812.db2.gz APQDPNZEWUOWDB-ZDUSSCGKSA-N -1 1 387.396 2.420 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000735735792 599132040 /nfs/dbraw/zinc/13/20/40/599132040.db2.gz VLUZDGZBUNIPIQ-XPKDYRNWSA-N -1 1 386.456 2.138 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000735735792 599132043 /nfs/dbraw/zinc/13/20/43/599132043.db2.gz VLUZDGZBUNIPIQ-XPKDYRNWSA-N -1 1 386.456 2.138 20 0 GEADMM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736159574 599134291 /nfs/dbraw/zinc/13/42/91/599134291.db2.gz WSXXBEQEUNIMFH-CQSZACIVSA-N -1 1 394.435 2.244 20 0 GEADMM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736159574 599134293 /nfs/dbraw/zinc/13/42/93/599134293.db2.gz WSXXBEQEUNIMFH-CQSZACIVSA-N -1 1 394.435 2.244 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736159917 599136072 /nfs/dbraw/zinc/13/60/72/599136072.db2.gz YVIAFJBURKFDHQ-MRVPVSSYSA-N -1 1 390.762 2.238 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(F)cc1Cl ZINC000736159917 599136074 /nfs/dbraw/zinc/13/60/74/599136074.db2.gz YVIAFJBURKFDHQ-MRVPVSSYSA-N -1 1 390.762 2.238 20 0 GEADMM CCC[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736426646 599138580 /nfs/dbraw/zinc/13/85/80/599138580.db2.gz SPCPZLOJFRGAAM-BBRMVZONSA-N -1 1 394.435 2.465 20 0 GEADMM CCC[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736426646 599138583 /nfs/dbraw/zinc/13/85/83/599138583.db2.gz SPCPZLOJFRGAAM-BBRMVZONSA-N -1 1 394.435 2.465 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(Cl)cc1Cl ZINC000737908893 599139732 /nfs/dbraw/zinc/13/97/32/599139732.db2.gz LKDGBNNKUDRNML-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(Cl)cc1Cl ZINC000737908893 599139734 /nfs/dbraw/zinc/13/97/34/599139734.db2.gz LKDGBNNKUDRNML-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736688118 599142370 /nfs/dbraw/zinc/14/23/70/599142370.db2.gz UKVOEMPTMRTAFP-OLZOCXBDSA-N -1 1 394.435 2.247 20 0 GEADMM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736688118 599142372 /nfs/dbraw/zinc/14/23/72/599142372.db2.gz UKVOEMPTMRTAFP-OLZOCXBDSA-N -1 1 394.435 2.247 20 0 GEADMM CC(C)CCN(CCC(C)C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735803391 599142732 /nfs/dbraw/zinc/14/27/32/599142732.db2.gz CLRGVZCEMSVNSR-UHFFFAOYSA-N -1 1 388.472 2.339 20 0 GEADMM CC(C)CCN(CCC(C)C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735803391 599142734 /nfs/dbraw/zinc/14/27/34/599142734.db2.gz CLRGVZCEMSVNSR-UHFFFAOYSA-N -1 1 388.472 2.339 20 0 GEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237037 599151722 /nfs/dbraw/zinc/15/17/22/599151722.db2.gz NYNGDQNLMDRSJI-XNRPHZJLSA-N -1 1 387.440 2.423 20 0 GEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237037 599151724 /nfs/dbraw/zinc/15/17/24/599151724.db2.gz NYNGDQNLMDRSJI-XNRPHZJLSA-N -1 1 387.440 2.423 20 0 GEADMM COc1ccc(-c2nc(SCC3(C)COC3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055310 599162081 /nfs/dbraw/zinc/16/20/81/599162081.db2.gz DCPTUNJLDSFPAX-UHFFFAOYSA-N -1 1 386.437 2.167 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000738259220 599184522 /nfs/dbraw/zinc/18/45/22/599184522.db2.gz OIJIQSNIGGCETO-UHFFFAOYSA-N -1 1 376.376 2.403 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000738259220 599184525 /nfs/dbraw/zinc/18/45/25/599184525.db2.gz OIJIQSNIGGCETO-UHFFFAOYSA-N -1 1 376.376 2.403 20 0 GEADMM CN1CC[C@@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1=O ZINC000736856152 599185731 /nfs/dbraw/zinc/18/57/31/599185731.db2.gz NFLMGZVMFYZVRQ-OAHLLOKOSA-N -1 1 397.366 2.186 20 0 GEADMM CN1CC[C@@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1=O ZINC000736856152 599185734 /nfs/dbraw/zinc/18/57/34/599185734.db2.gz NFLMGZVMFYZVRQ-OAHLLOKOSA-N -1 1 397.366 2.186 20 0 GEADMM CC(C)c1ccc(CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735922651 599210383 /nfs/dbraw/zinc/21/03/83/599210383.db2.gz GOVIRUYAARZKPH-UHFFFAOYSA-N -1 1 386.481 2.296 20 0 GEADMM CC(C)c1ccc(CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735922651 599210384 /nfs/dbraw/zinc/21/03/84/599210384.db2.gz GOVIRUYAARZKPH-UHFFFAOYSA-N -1 1 386.481 2.296 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)N1CCCC1 ZINC000739956871 596939206 /nfs/dbraw/zinc/93/92/06/596939206.db2.gz GWQSWQJMFSLHST-KRWDZBQOSA-N -1 1 375.469 2.338 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737270177 599227616 /nfs/dbraw/zinc/22/76/16/599227616.db2.gz KWAZOZGDZHUJRH-HNNXBMFYSA-N -1 1 381.415 2.108 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737270177 599227619 /nfs/dbraw/zinc/22/76/19/599227619.db2.gz KWAZOZGDZHUJRH-HNNXBMFYSA-N -1 1 381.415 2.108 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)CCC(=O)[O-])CC1 ZINC000818207589 596993024 /nfs/dbraw/zinc/99/30/24/596993024.db2.gz LKNBZWXCNULUMV-CQSZACIVSA-N -1 1 380.464 2.145 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000736291921 599235463 /nfs/dbraw/zinc/23/54/63/599235463.db2.gz ZVMSFMGOPGQTDE-VIFPVBQESA-N -1 1 393.375 2.121 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000736291921 599235465 /nfs/dbraw/zinc/23/54/65/599235465.db2.gz ZVMSFMGOPGQTDE-VIFPVBQESA-N -1 1 393.375 2.121 20 0 GEADMM CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000736407656 599235636 /nfs/dbraw/zinc/23/56/36/599235636.db2.gz PSIIDQQGZXXYOT-NSHDSACASA-N -1 1 389.412 2.372 20 0 GEADMM CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000736407656 599235637 /nfs/dbraw/zinc/23/56/37/599235637.db2.gz PSIIDQQGZXXYOT-NSHDSACASA-N -1 1 389.412 2.372 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@@H](CC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000769756418 597084837 /nfs/dbraw/zinc/08/48/37/597084837.db2.gz SLXZWMRUKGYOAW-BBWFWOEESA-N -1 1 389.496 2.425 20 0 GEADMM Cc1cccc(C2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1C ZINC000737391127 599243897 /nfs/dbraw/zinc/24/38/97/599243897.db2.gz YPJIJYZCNKCYHR-UHFFFAOYSA-N -1 1 378.436 2.002 20 0 GEADMM Cc1cccc(C2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1C ZINC000737391127 599243899 /nfs/dbraw/zinc/24/38/99/599243899.db2.gz YPJIJYZCNKCYHR-UHFFFAOYSA-N -1 1 378.436 2.002 20 0 GEADMM O=C(Cc1ccc(Cl)cc1Br)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737956179 599252765 /nfs/dbraw/zinc/25/27/65/599252765.db2.gz WVCWAAHHXJDDRU-UHFFFAOYSA-N -1 1 393.632 2.281 20 0 GEADMM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000820620133 598022828 /nfs/dbraw/zinc/02/28/28/598022828.db2.gz GLUZQZZCLXIVPC-IRXDYDNUSA-N -1 1 385.395 2.024 20 0 GEADMM C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735964175 598258780 /nfs/dbraw/zinc/25/87/80/598258780.db2.gz WPNKPCOSRBRXCI-ZDUSSCGKSA-N -1 1 384.465 2.251 20 0 GEADMM C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735964175 598258781 /nfs/dbraw/zinc/25/87/81/598258781.db2.gz WPNKPCOSRBRXCI-ZDUSSCGKSA-N -1 1 384.465 2.251 20 0 GEADMM CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736817424 598260733 /nfs/dbraw/zinc/26/07/33/598260733.db2.gz YPLFDZXPTLFXBT-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736817424 598260734 /nfs/dbraw/zinc/26/07/34/598260734.db2.gz YPLFDZXPTLFXBT-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735873209 598270193 /nfs/dbraw/zinc/27/01/93/598270193.db2.gz CETIWIFIXDNYKQ-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735873209 598270195 /nfs/dbraw/zinc/27/01/95/598270195.db2.gz CETIWIFIXDNYKQ-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM Cc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000737334412 598270796 /nfs/dbraw/zinc/27/07/96/598270796.db2.gz HGJHZFKCCVRZOC-MRXNPFEDSA-N -1 1 398.492 2.214 20 0 GEADMM Cc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000737334412 598270798 /nfs/dbraw/zinc/27/07/98/598270798.db2.gz HGJHZFKCCVRZOC-MRXNPFEDSA-N -1 1 398.492 2.214 20 0 GEADMM COc1ccc(Br)cc1CN(C)c1nccnc1-c1nnn[n-]1 ZINC000737065801 598337764 /nfs/dbraw/zinc/33/77/64/598337764.db2.gz ORHDWLKWOPRYBP-UHFFFAOYSA-N -1 1 376.218 2.064 20 0 GEADMM COc1ccc(Br)cc1CN(C)c1nccnc1-c1nn[n-]n1 ZINC000737065801 598337765 /nfs/dbraw/zinc/33/77/65/598337765.db2.gz ORHDWLKWOPRYBP-UHFFFAOYSA-N -1 1 376.218 2.064 20 0 GEADMM COC(=O)COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821662619 607351593 /nfs/dbraw/zinc/35/15/93/607351593.db2.gz KSQUDALLFZGVAR-UHFFFAOYSA-N -1 1 393.812 2.386 20 0 GEADMM COC(=O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821662619 607351595 /nfs/dbraw/zinc/35/15/95/607351595.db2.gz KSQUDALLFZGVAR-UHFFFAOYSA-N -1 1 393.812 2.386 20 0 GEADMM CCOc1cc(CN(C)c2nccnc2-c2nnn[n-]2)ccc1OC(F)F ZINC000736625702 598342302 /nfs/dbraw/zinc/34/23/02/598342302.db2.gz NZXXSXJLBJLBST-UHFFFAOYSA-N -1 1 377.355 2.293 20 0 GEADMM CCOc1cc(CN(C)c2nccnc2-c2nn[n-]n2)ccc1OC(F)F ZINC000736625702 598342304 /nfs/dbraw/zinc/34/23/04/598342304.db2.gz NZXXSXJLBJLBST-UHFFFAOYSA-N -1 1 377.355 2.293 20 0 GEADMM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1nccnc1-c1nnn[n-]1 ZINC000736797481 598346849 /nfs/dbraw/zinc/34/68/49/598346849.db2.gz JBYCUYIDSZCJOO-UHFFFAOYSA-N -1 1 379.403 2.255 20 0 GEADMM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1nccnc1-c1nn[n-]n1 ZINC000736797481 598346851 /nfs/dbraw/zinc/34/68/51/598346851.db2.gz JBYCUYIDSZCJOO-UHFFFAOYSA-N -1 1 379.403 2.255 20 0 GEADMM O=C(COc1ccc(Oc2ccccc2)cc1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737919838 598380716 /nfs/dbraw/zinc/38/07/16/598380716.db2.gz LMIDEKLGWZMMLC-UHFFFAOYSA-N -1 1 388.387 2.493 20 0 GEADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737361693 598393872 /nfs/dbraw/zinc/39/38/72/598393872.db2.gz XMNMELSUSIMBOS-CQSZACIVSA-N -1 1 393.455 2.003 20 0 GEADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737361693 598393874 /nfs/dbraw/zinc/39/38/74/598393874.db2.gz XMNMELSUSIMBOS-CQSZACIVSA-N -1 1 393.455 2.003 20 0 GEADMM COC(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736918618 598400182 /nfs/dbraw/zinc/40/01/82/598400182.db2.gz GXVVAIPHGZPQAI-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM COC(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736918618 598400183 /nfs/dbraw/zinc/40/01/83/598400183.db2.gz GXVVAIPHGZPQAI-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000737474848 598409552 /nfs/dbraw/zinc/40/95/52/598409552.db2.gz WHDOZLZSJNPDQW-SECBINFHSA-N -1 1 396.473 2.461 20 0 GEADMM CCC/C(C)=C/C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736418900 598409917 /nfs/dbraw/zinc/40/99/17/598409917.db2.gz IISOQXJPCJBDSB-JLHYYAGUSA-N -1 1 395.423 2.281 20 0 GEADMM CCC/C(C)=C/C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736418900 598409919 /nfs/dbraw/zinc/40/99/19/598409919.db2.gz IISOQXJPCJBDSB-JLHYYAGUSA-N -1 1 395.423 2.281 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000735733229 598411499 /nfs/dbraw/zinc/41/14/99/598411499.db2.gz FSVMXVCIBKUIRY-MRXNPFEDSA-N -1 1 399.382 2.465 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000735733229 598411500 /nfs/dbraw/zinc/41/15/00/598411500.db2.gz FSVMXVCIBKUIRY-MRXNPFEDSA-N -1 1 399.382 2.465 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000737488216 598422906 /nfs/dbraw/zinc/42/29/06/598422906.db2.gz RMZGPYVWVZHYAZ-GFCCVEGCSA-N -1 1 390.451 2.336 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000737488216 598422907 /nfs/dbraw/zinc/42/29/07/598422907.db2.gz RMZGPYVWVZHYAZ-GFCCVEGCSA-N -1 1 390.451 2.336 20 0 GEADMM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736911138 598443187 /nfs/dbraw/zinc/44/31/87/598443187.db2.gz SIQRXFXPUSQEGH-ZIAGYGMSSA-N -1 1 394.391 2.110 20 0 GEADMM COc1ccc(C)cc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737075096 598503943 /nfs/dbraw/zinc/50/39/43/598503943.db2.gz CUWUUDAWARKCPS-UHFFFAOYSA-N -1 1 390.403 2.137 20 0 GEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)c1C ZINC000736956668 598534209 /nfs/dbraw/zinc/53/42/09/598534209.db2.gz HNPCGYIZKUINGM-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccsc1)c1cccnc1 ZINC000738352943 598555364 /nfs/dbraw/zinc/55/53/64/598555364.db2.gz CRBQTYZJMOCDAC-UHFFFAOYSA-N -1 1 399.461 2.114 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccsc1)c1cccnc1 ZINC000738352943 598555366 /nfs/dbraw/zinc/55/53/66/598555366.db2.gz CRBQTYZJMOCDAC-UHFFFAOYSA-N -1 1 399.461 2.114 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCc2c1cccc2O ZINC000737200522 598567755 /nfs/dbraw/zinc/56/77/55/598567755.db2.gz NMXCTJMGYRVDAF-OAHLLOKOSA-N -1 1 394.435 2.026 20 0 GEADMM COc1ccc(OC)c([C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737107291 598573006 /nfs/dbraw/zinc/57/30/06/598573006.db2.gz AHILCWHWCQLJTK-GFCCVEGCSA-N -1 1 376.804 2.078 20 0 GEADMM COc1ccc(OC)c([C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737107291 598573007 /nfs/dbraw/zinc/57/30/07/598573007.db2.gz AHILCWHWCQLJTK-GFCCVEGCSA-N -1 1 376.804 2.078 20 0 GEADMM Clc1ccc(NC[C@H](c2ccccc2)N2CCOCC2)nc1-c1nnn[n-]1 ZINC000737576196 598573703 /nfs/dbraw/zinc/57/37/03/598573703.db2.gz YHPCOPBUMZKMSA-OAHLLOKOSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1ccc(NC[C@H](c2ccccc2)N2CCOCC2)nc1-c1nn[n-]n1 ZINC000737576196 598573704 /nfs/dbraw/zinc/57/37/04/598573704.db2.gz YHPCOPBUMZKMSA-OAHLLOKOSA-N -1 1 385.859 2.401 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N(C)CCc2ccccc2F)cc1-c1nn[n-]n1 ZINC000737186964 598613887 /nfs/dbraw/zinc/61/38/87/598613887.db2.gz MMAQKWRBZXGJOH-UHFFFAOYSA-N -1 1 388.428 2.143 20 0 GEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736165025 598618264 /nfs/dbraw/zinc/61/82/64/598618264.db2.gz RATLJHXLPAPUQN-WDEREUQCSA-N -1 1 383.433 2.451 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737550525 598622002 /nfs/dbraw/zinc/62/20/02/598622002.db2.gz AEDVBZZIARKBOL-ZDUSSCGKSA-N -1 1 397.391 2.125 20 0 GEADMM CCc1nn(Cc2cc(-c3ccc(F)cc3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708738 598642493 /nfs/dbraw/zinc/64/24/93/598642493.db2.gz ZRDLONFIVCAPDP-UHFFFAOYSA-N -1 1 395.398 2.391 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2cc(F)c(F)cc21 ZINC000738355828 598664322 /nfs/dbraw/zinc/66/43/22/598664322.db2.gz UXEBYIULLPRAIK-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2cc(F)cc(F)c21 ZINC000738355816 598664652 /nfs/dbraw/zinc/66/46/52/598664652.db2.gz UHRNRUJCTWZKFD-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1CCc2ccccc21 ZINC000737199066 598666550 /nfs/dbraw/zinc/66/65/50/598666550.db2.gz FODBXEXVWDFMKT-OAHLLOKOSA-N -1 1 392.463 2.363 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000738372727 598676813 /nfs/dbraw/zinc/67/68/13/598676813.db2.gz TXCQYMKHJMKCAS-UHFFFAOYSA-N -1 1 390.190 2.434 20 0 GEADMM CC(=O)c1ccc(C)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735496158 598687747 /nfs/dbraw/zinc/68/77/47/598687747.db2.gz WFLYIEACHUAVGA-UHFFFAOYSA-N -1 1 376.369 2.285 20 0 GEADMM CSc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737189932 598691671 /nfs/dbraw/zinc/69/16/71/598691671.db2.gz IFLMLNKCQDGMQF-UHFFFAOYSA-N -1 1 379.442 2.206 20 0 GEADMM CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736655015 598693208 /nfs/dbraw/zinc/69/32/08/598693208.db2.gz PGMQAQOZECFXNJ-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM CC(C)c1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1C ZINC000735952476 598720537 /nfs/dbraw/zinc/72/05/37/598720537.db2.gz HFUWCVYJUUJFDK-UHFFFAOYSA-N -1 1 384.831 2.135 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC000737776259 598720944 /nfs/dbraw/zinc/72/09/44/598720944.db2.gz KDNMZAFQHFFSFF-UHFFFAOYSA-N -1 1 398.814 2.239 20 0 GEADMM CCc1nc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cs1 ZINC000736701055 598721644 /nfs/dbraw/zinc/72/16/44/598721644.db2.gz YBJWLKOIYFWXTG-SSDOTTSWSA-N -1 1 391.482 2.199 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737187082 598722201 /nfs/dbraw/zinc/72/22/01/598722201.db2.gz OPZYFPIKAVXQGL-NSHDSACASA-N -1 1 382.449 2.149 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21)c1ccc[nH]1 ZINC000737980213 598723169 /nfs/dbraw/zinc/72/31/69/598723169.db2.gz AMGVTXPSPTUPGD-UHFFFAOYSA-N -1 1 399.208 2.155 20 0 GEADMM Clc1nsc(N[C@H](CN2CCOCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000737583955 598723272 /nfs/dbraw/zinc/72/32/72/598723272.db2.gz OVFRZPOJEOQDNW-GFCCVEGCSA-N -1 1 391.888 2.462 20 0 GEADMM Clc1nsc(N[C@H](CN2CCOCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000737583955 598723273 /nfs/dbraw/zinc/72/32/73/598723273.db2.gz OVFRZPOJEOQDNW-GFCCVEGCSA-N -1 1 391.888 2.462 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H](C)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737553458 598750851 /nfs/dbraw/zinc/75/08/51/598750851.db2.gz WMKUTSJVFKTULG-LLVKDONJSA-N -1 1 383.408 2.437 20 0 GEADMM Cc1oc(NC(=O)CN2CCOc3ccccc3[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737553939 598764235 /nfs/dbraw/zinc/76/42/35/598764235.db2.gz YBPWDPUDDOOIII-LBPRGKRZSA-N -1 1 382.424 2.471 20 0 GEADMM CC(=O)Nc1cccc(OCCNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000735488904 598795381 /nfs/dbraw/zinc/79/53/81/598795381.db2.gz RDWSJNUANZMZLP-UHFFFAOYSA-N -1 1 379.833 2.426 20 0 GEADMM CC(=O)Nc1cccc(OCCNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000735488904 598795382 /nfs/dbraw/zinc/79/53/82/598795382.db2.gz RDWSJNUANZMZLP-UHFFFAOYSA-N -1 1 379.833 2.426 20 0 GEADMM CC(C)[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000735702114 598809854 /nfs/dbraw/zinc/80/98/54/598809854.db2.gz NCGWUBJKICCISA-LBPRGKRZSA-N -1 1 385.428 2.055 20 0 GEADMM COC(=O)[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1cccc2ccccc21 ZINC000736890506 598817301 /nfs/dbraw/zinc/81/73/01/598817301.db2.gz AAOBYDMYZHTEJQ-OAHLLOKOSA-N -1 1 389.419 2.254 20 0 GEADMM COC(=O)[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1cccc2ccccc21 ZINC000736890506 598817303 /nfs/dbraw/zinc/81/73/03/598817303.db2.gz AAOBYDMYZHTEJQ-OAHLLOKOSA-N -1 1 389.419 2.254 20 0 GEADMM COC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736976078 599301192 /nfs/dbraw/zinc/30/11/92/599301192.db2.gz COOAYERCJYNLNV-CQSZACIVSA-N -1 1 392.341 2.398 20 0 GEADMM COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736976078 599301196 /nfs/dbraw/zinc/30/11/96/599301196.db2.gz COOAYERCJYNLNV-CQSZACIVSA-N -1 1 392.341 2.398 20 0 GEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)cc2)o1 ZINC000822505695 599304690 /nfs/dbraw/zinc/30/46/90/599304690.db2.gz RMBFRTGJXTWQSJ-UHFFFAOYSA-N -1 1 397.420 2.334 20 0 GEADMM C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736301647 599334084 /nfs/dbraw/zinc/33/40/84/599334084.db2.gz BTKQYCWOPUGGLZ-JTQLQIEISA-N -1 1 378.845 2.087 20 0 GEADMM COc1cccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737130560 599334870 /nfs/dbraw/zinc/33/48/70/599334870.db2.gz GMYRNYJCFVLEAM-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccccn1 ZINC000823601147 599341128 /nfs/dbraw/zinc/34/11/28/599341128.db2.gz UBRGLJAKPRZTDN-CQSZACIVSA-N -1 1 390.856 2.441 20 0 GEADMM C[C@@H]1c2c(F)cccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820820283 599344493 /nfs/dbraw/zinc/34/44/93/599344493.db2.gz NNJDLBVHYWLZEH-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM C[C@@H]1c2c(F)cccc2CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820820283 599344495 /nfs/dbraw/zinc/34/44/95/599344495.db2.gz NNJDLBVHYWLZEH-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823600218 599348241 /nfs/dbraw/zinc/34/82/41/599348241.db2.gz DNTAPHDCMJSFGF-AWEZNQCLSA-N -1 1 387.440 2.259 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823600221 599348438 /nfs/dbraw/zinc/34/84/38/599348438.db2.gz DNTAPHDCMJSFGF-CQSZACIVSA-N -1 1 387.440 2.259 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000737189409 599386497 /nfs/dbraw/zinc/38/64/97/599386497.db2.gz MFYDPKUFQOHKPI-LLVKDONJSA-N -1 1 390.513 2.388 20 0 GEADMM Clc1cnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c(Cl)c1 ZINC000737582431 599412441 /nfs/dbraw/zinc/41/24/41/599412441.db2.gz AGQVLCQQBBAWMO-UHFFFAOYSA-N -1 1 377.239 2.290 20 0 GEADMM Clc1cnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(Cl)c1 ZINC000737582431 599412444 /nfs/dbraw/zinc/41/24/44/599412444.db2.gz AGQVLCQQBBAWMO-UHFFFAOYSA-N -1 1 377.239 2.290 20 0 GEADMM O=C(NCC1CC1)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000823170849 599481971 /nfs/dbraw/zinc/48/19/71/599481971.db2.gz JNAKPRLJIFFUAQ-CQSZACIVSA-N -1 1 377.452 2.158 20 0 GEADMM O=C(NCC1CC1)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000823170849 599481972 /nfs/dbraw/zinc/48/19/72/599481972.db2.gz JNAKPRLJIFFUAQ-CQSZACIVSA-N -1 1 377.452 2.158 20 0 GEADMM Cc1nsc([N-]C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)n1 ZINC000822535592 599495792 /nfs/dbraw/zinc/49/57/92/599495792.db2.gz XOOOIRSKNVGPTD-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC000735525589 599563730 /nfs/dbraw/zinc/56/37/30/599563730.db2.gz NLCWOEDCTAHQKM-NSHDSACASA-N -1 1 399.480 2.246 20 0 GEADMM CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000736276712 599593084 /nfs/dbraw/zinc/59/30/84/599593084.db2.gz OLXXOBDHLCVKQH-UHFFFAOYSA-N -1 1 375.376 2.306 20 0 GEADMM C[C@H]1c2c(F)cccc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736301447 599596857 /nfs/dbraw/zinc/59/68/57/599596857.db2.gz NJBLAISXVQBVPE-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM CC(C)[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000463346982 599708357 /nfs/dbraw/zinc/70/83/57/599708357.db2.gz VRVUHVMXAYEDAW-BEFAXECRSA-N -1 1 376.453 2.068 20 0 GEADMM CC(C)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000463346985 599708460 /nfs/dbraw/zinc/70/84/60/599708460.db2.gz VRVUHVMXAYEDAW-DNVCBOLYSA-N -1 1 376.453 2.068 20 0 GEADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737360361 599721488 /nfs/dbraw/zinc/72/14/88/599721488.db2.gz MHRCPZKSUIJCDF-MRXNPFEDSA-N -1 1 388.399 2.273 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)CCCN(C)C(=O)[O-])CC2)c1 ZINC000738732841 599732487 /nfs/dbraw/zinc/73/24/87/599732487.db2.gz NCBTVHHFCAISCL-UHFFFAOYSA-N -1 1 376.501 2.013 20 0 GEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C\c2ccc(Br)cc2)n1 ZINC000739919706 599739049 /nfs/dbraw/zinc/73/90/49/599739049.db2.gz HMKJQMJISJDRJM-VURMDHGXSA-N -1 1 386.227 2.143 20 0 GEADMM CN(C[C@@H]1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1)C(=O)OC(C)(C)C ZINC000737413440 599793289 /nfs/dbraw/zinc/79/32/89/599793289.db2.gz OBFLHXXUEKLEEE-HNNXBMFYSA-N -1 1 397.516 2.079 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736886045 599796688 /nfs/dbraw/zinc/79/66/88/599796688.db2.gz ORCVAQFPHYSIQN-APWZRJJASA-N -1 1 375.513 2.198 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1cc(F)ccc1F ZINC000737575952 599814317 /nfs/dbraw/zinc/81/43/17/599814317.db2.gz CRACFWMHVDKLAP-HNNXBMFYSA-N -1 1 399.371 2.164 20 0 GEADMM C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736741336 599839994 /nfs/dbraw/zinc/83/99/94/599839994.db2.gz KJWPZMSWZCUPHQ-KDOFPFPSSA-N -1 1 379.844 2.394 20 0 GEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000736815674 599843567 /nfs/dbraw/zinc/84/35/67/599843567.db2.gz VRRACLKPPLHOPK-RVKKMQEKSA-N -1 1 377.485 2.204 20 0 GEADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000736206742 599851562 /nfs/dbraw/zinc/85/15/62/599851562.db2.gz DRXROHRVXRTGNN-DGCLKSJQSA-N -1 1 392.843 2.159 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738229177 599861064 /nfs/dbraw/zinc/86/10/64/599861064.db2.gz JJKRMUDWMQNSPU-JTQLQIEISA-N -1 1 384.348 2.086 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000738275714 599930382 /nfs/dbraw/zinc/93/03/82/599930382.db2.gz VUWFQRYWCPWVQS-MRXNPFEDSA-N -1 1 376.478 2.144 20 0 GEADMM O=C([O-])c1ccc(OCCNS(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000740168436 599940387 /nfs/dbraw/zinc/94/03/87/599940387.db2.gz VLOVVNXRRLRYII-UHFFFAOYSA-N -1 1 375.324 2.159 20 0 GEADMM NC(=O)[C@@H](NCCOc1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000739147354 599941304 /nfs/dbraw/zinc/94/13/04/599941304.db2.gz CBTYQVZVZGKFGX-HNNXBMFYSA-N -1 1 393.237 2.342 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)CC(=O)Nc3cccc(C(=O)[O-])c3)C2)nn1 ZINC000738617462 599957579 /nfs/dbraw/zinc/95/75/79/599957579.db2.gz VNXZGJAKTTYNAT-QGZVFWFLSA-N -1 1 383.452 2.023 20 0 GEADMM CCOCCN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C[C@H]1CC ZINC000737177758 599962359 /nfs/dbraw/zinc/96/23/59/599962359.db2.gz RUSPKUHJPJEROC-OAHLLOKOSA-N -1 1 397.541 2.434 20 0 GEADMM Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)ccc1C(=O)[O-] ZINC000738411461 600042984 /nfs/dbraw/zinc/04/29/84/600042984.db2.gz RXFXFFXBNBVFPM-CQSZACIVSA-N -1 1 375.450 2.112 20 0 GEADMM COc1cccc([C@@H](C)N2CCN(c3cc(C)nc4nc(C(=O)[O-])nn43)CC2)c1 ZINC000738092135 600079486 /nfs/dbraw/zinc/07/94/86/600079486.db2.gz NOPXYLFRYPWESF-CQSZACIVSA-N -1 1 396.451 2.023 20 0 GEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000736214010 600093870 /nfs/dbraw/zinc/09/38/70/600093870.db2.gz HXOYXZQJUNGQOI-WBVHZDCISA-N -1 1 382.464 2.219 20 0 GEADMM C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2Cl)CC1 ZINC000737528726 600105439 /nfs/dbraw/zinc/10/54/39/600105439.db2.gz CLVISCRRJAHZSP-UHFFFAOYSA-N -1 1 399.856 2.184 20 0 GEADMM CC(C)(C)OC(=O)C1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000736263032 600143681 /nfs/dbraw/zinc/14/36/81/600143681.db2.gz VNWPJNURDVHKLD-MRXNPFEDSA-N -1 1 379.453 2.178 20 0 GEADMM COc1cc(C=CC(=O)[O-])ccc1OC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000737870669 600169130 /nfs/dbraw/zinc/16/91/30/600169130.db2.gz GTJOSIMXPZYXEQ-FNORWQNLSA-N -1 1 397.387 2.306 20 0 GEADMM O=C([O-])CSCc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000739873390 600184119 /nfs/dbraw/zinc/18/41/19/600184119.db2.gz PZULIAQWCAWAOA-IAGOWNOFSA-N -1 1 393.509 2.067 20 0 GEADMM CCCc1c(C(=O)N2CCN(CC3CCOCC3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737042470 600198842 /nfs/dbraw/zinc/19/88/42/600198842.db2.gz VTPKBKICQCPOCT-UHFFFAOYSA-N -1 1 377.485 2.158 20 0 GEADMM Cc1cc(NC(=O)C(=O)N2CCN(C3CCC(C)CC3)CC2)ccc1C(=O)[O-] ZINC000643434859 600201082 /nfs/dbraw/zinc/20/10/82/600201082.db2.gz YBXDIJBYRGKOHD-UHFFFAOYSA-N -1 1 387.480 2.355 20 0 GEADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCc2ccccc2CC1 ZINC000739295285 600215838 /nfs/dbraw/zinc/21/58/38/600215838.db2.gz QFVMGSXTJCMQSG-NRFANRHFSA-N -1 1 391.471 2.381 20 0 GEADMM CN(C)CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000301156156 600219846 /nfs/dbraw/zinc/21/98/46/600219846.db2.gz IPWZHCZEUALGJN-UHFFFAOYSA-N -1 1 376.478 2.278 20 0 GEADMM O=C([O-])[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000263574946 600232994 /nfs/dbraw/zinc/23/29/94/600232994.db2.gz OFCOXIZZODJHDG-DLBZAZTESA-N -1 1 379.888 2.142 20 0 GEADMM CCOCCN1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@@H]1CC ZINC000737177630 600257981 /nfs/dbraw/zinc/25/79/81/600257981.db2.gz YBUHFMOQPOTXJY-INIZCTEOSA-N -1 1 387.480 2.299 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736217265 600309510 /nfs/dbraw/zinc/30/95/10/600309510.db2.gz AIAHNVZMMIXJCP-YOEHRIQHSA-N -1 1 385.464 2.327 20 0 GEADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737094240 600319273 /nfs/dbraw/zinc/31/92/73/600319273.db2.gz MRWXCDJHXPKQBJ-OAHLLOKOSA-N -1 1 376.453 2.052 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736812111 600343515 /nfs/dbraw/zinc/34/35/15/600343515.db2.gz SWLJACXMEJBNRI-HUUCEWRRSA-N -1 1 378.473 2.417 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812106 600343726 /nfs/dbraw/zinc/34/37/26/600343726.db2.gz SWLJACXMEJBNRI-GJZGRUSLSA-N -1 1 378.473 2.417 20 0 GEADMM CN1CCCC[C@@H]1C(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000737518618 600359880 /nfs/dbraw/zinc/35/98/80/600359880.db2.gz SARVDOJEZBUFSO-IAGOWNOFSA-N -1 1 379.888 2.094 20 0 GEADMM CC(=O)Nc1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c(C(F)(F)F)c1 ZINC000736159854 600367768 /nfs/dbraw/zinc/36/77/68/600367768.db2.gz NQRPYWIBFGROOR-VIFPVBQESA-N -1 1 375.347 2.255 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)N(C)C)cc1 ZINC000738550518 600368588 /nfs/dbraw/zinc/36/85/88/600368588.db2.gz FRANFKGHWCCCAO-GOSISDBHSA-N -1 1 398.463 2.120 20 0 GEADMM CCOC(=O)c1sc2[nH]c([C@H](C)N(C)C[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737157694 600370607 /nfs/dbraw/zinc/37/06/07/600370607.db2.gz VHYDPYBSSPENIZ-SCZZXKLOSA-N -1 1 381.454 2.183 20 0 GEADMM COC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1O ZINC000737713059 600391987 /nfs/dbraw/zinc/39/19/87/600391987.db2.gz KVWOHBRPOWTVQL-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCCN(C[C@@H]3CCCO3)CC2)c(C)c1C(=O)[O-] ZINC000738235685 600435133 /nfs/dbraw/zinc/43/51/33/600435133.db2.gz JOBUWWWKCLUHKH-CVEARBPZSA-N -1 1 377.485 2.088 20 0 GEADMM O=C([O-])[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000263163576 600456824 /nfs/dbraw/zinc/45/68/24/600456824.db2.gz CGSFGPXMGGANNQ-HIFRSBDPSA-N -1 1 385.386 2.396 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1Br ZINC000316140096 600514032 /nfs/dbraw/zinc/51/40/32/600514032.db2.gz GARLQGVVGFQRQD-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2OC)cc1C(=O)[O-] ZINC000525751640 600544260 /nfs/dbraw/zinc/54/42/60/600544260.db2.gz HUUDRHLMQRHLPC-UHFFFAOYSA-N -1 1 397.405 2.220 20 0 GEADMM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(C)C1CCC(OC)CC1 ZINC000737649907 600629291 /nfs/dbraw/zinc/62/92/91/600629291.db2.gz KKZIVTWUQQKZQN-UHFFFAOYSA-N -1 1 398.481 2.369 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)NCCc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000737528295 600655556 /nfs/dbraw/zinc/65/55/56/600655556.db2.gz CGHYNQQZPBMDNT-UHFFFAOYSA-N -1 1 381.476 2.105 20 0 GEADMM CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299626689 600676616 /nfs/dbraw/zinc/67/66/16/600676616.db2.gz ROSPSEPBYDLLMM-UHFFFAOYSA-N -1 1 379.438 2.432 20 0 GEADMM O=C([O-])c1ccsc1N1CC[C@H](N2CCN(CCc3ccccc3)CC2)C1=O ZINC000833335968 600793228 /nfs/dbraw/zinc/79/32/28/600793228.db2.gz HNMLNGZJVPJEGF-SFHVURJKSA-N -1 1 399.516 2.412 20 0 GEADMM CCCCn1c(=O)[nH]nc1S[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829447331 600804326 /nfs/dbraw/zinc/80/43/26/600804326.db2.gz MHEOSHUWVSIPAB-JTQLQIEISA-N -1 1 382.467 2.441 20 0 GEADMM Cc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1C(=O)[O-] ZINC000013349255 600807829 /nfs/dbraw/zinc/80/78/29/600807829.db2.gz DZNUCRYKKLIORF-UHFFFAOYSA-N -1 1 375.328 2.412 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1C(=O)[O-] ZINC000298839152 600811840 /nfs/dbraw/zinc/81/18/40/600811840.db2.gz FKKXRDGFIHAZIY-UHFFFAOYSA-N -1 1 392.437 2.152 20 0 GEADMM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000057121932 600812236 /nfs/dbraw/zinc/81/22/36/600812236.db2.gz QVOKNXTVROIOMN-UHFFFAOYSA-N -1 1 378.406 2.461 20 0 GEADMM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000833134587 600866069 /nfs/dbraw/zinc/86/60/69/600866069.db2.gz RZHFLDQSVUDEEM-GFCCVEGCSA-N -1 1 393.490 2.400 20 0 GEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)CCN3CCN(c4ccccc4)CC3)cc21 ZINC000833100430 600883334 /nfs/dbraw/zinc/88/33/34/600883334.db2.gz WPAWIKBOMJGLDC-UHFFFAOYSA-N -1 1 393.447 2.412 20 0 GEADMM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506704028 600889943 /nfs/dbraw/zinc/88/99/43/600889943.db2.gz ACVZROMOIKYZBA-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1OC ZINC000467324457 600897613 /nfs/dbraw/zinc/89/76/13/600897613.db2.gz YESHQCMALBOKCA-UHFFFAOYSA-N -1 1 394.361 2.050 20 0 GEADMM CCN1CCN(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CC1 ZINC000829776278 600964956 /nfs/dbraw/zinc/96/49/56/600964956.db2.gz KUUVNXISFDPBBX-SFHVURJKSA-N -1 1 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WVUQECSKWQDZCF-OWSLCNJRSA-N -1 1 379.501 2.153 20 0 GEADMM O=C(CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000740367850 601929884 /nfs/dbraw/zinc/92/98/84/601929884.db2.gz GVUHHKBNHQEGJR-JKSUJKDBSA-N -1 1 389.452 2.028 20 0 GEADMM O=C([O-])NC[C@H]1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000740642023 601937803 /nfs/dbraw/zinc/93/78/03/601937803.db2.gz KRPPXACBOHNXET-SNVBAGLBSA-N -1 1 377.338 2.050 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000739530159 601954767 /nfs/dbraw/zinc/95/47/67/601954767.db2.gz KLIMZPZDEJXNQK-INIZCTEOSA-N -1 1 376.457 2.486 20 0 GEADMM Cc1c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC000832855202 601969576 /nfs/dbraw/zinc/96/95/76/601969576.db2.gz NFAKJLLPMZUJTD-RHSMWYFYSA-N -1 1 395.459 2.411 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398153100 601989031 /nfs/dbraw/zinc/98/90/31/601989031.db2.gz ZCQVODVMMKZZFQ-DZGCQCFKSA-N -1 1 392.452 2.465 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)NCCCCCCCC(=O)[O-])cc2[nH]c1=S ZINC000833039869 602022375 /nfs/dbraw/zinc/02/23/75/602022375.db2.gz SMXDSCKREPUYNF-UHFFFAOYSA-N -1 1 377.466 2.377 20 0 GEADMM C[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739023778 602034029 /nfs/dbraw/zinc/03/40/29/602034029.db2.gz NFXOCYLNSKGJPV-ONGXEEELSA-N -1 1 376.438 2.132 20 0 GEADMM NS(=O)(=O)C[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833087738 602042162 /nfs/dbraw/zinc/04/21/62/602042162.db2.gz CPHSCZFMKIHODT-RNCFNFMXSA-N -1 1 381.281 2.120 20 0 GEADMM COc1ccc(-c2cncc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c2)cc1 ZINC000630220576 602046197 /nfs/dbraw/zinc/04/61/97/602046197.db2.gz PQSMAISEAUMUMW-HNNXBMFYSA-N -1 1 383.448 2.378 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000828457609 602058957 /nfs/dbraw/zinc/05/89/57/602058957.db2.gz VIGBKRBAGLECKD-MRUHUIDDSA-N -1 1 389.496 2.302 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@H](CNC(=O)[O-])C1)N1CCCC1 ZINC000739958440 602062063 /nfs/dbraw/zinc/06/20/63/602062063.db2.gz LMWMHFLEWOPPCR-WBVHZDCISA-N -1 1 390.484 2.131 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)C[C@H](C)O1 ZINC000739183449 602076213 /nfs/dbraw/zinc/07/62/13/602076213.db2.gz SHWHBJFFDUSDEE-XWTMOSNGSA-N -1 1 396.532 2.050 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2)CC1 ZINC000737525123 602102022 /nfs/dbraw/zinc/10/20/22/602102022.db2.gz ADJKGMQFWWTFNF-LJQANCHMSA-N -1 1 382.464 2.495 20 0 GEADMM Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)sc1C(=O)[O-] ZINC000832899621 602111846 /nfs/dbraw/zinc/11/18/46/602111846.db2.gz PIFKAOOQZLYTOO-UHFFFAOYSA-N -1 1 393.439 2.098 20 0 GEADMM Ic1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826379698 607547771 /nfs/dbraw/zinc/54/77/71/607547771.db2.gz YZCQFVMTMJLKJA-UHFFFAOYSA-N -1 1 378.177 2.478 20 0 GEADMM Ic1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826379698 607547773 /nfs/dbraw/zinc/54/77/73/607547773.db2.gz YZCQFVMTMJLKJA-UHFFFAOYSA-N -1 1 378.177 2.478 20 0 GEADMM CCCS(=O)(=O)Nc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000825342705 607548291 /nfs/dbraw/zinc/54/82/91/607548291.db2.gz WOBBOZTVBTZZSP-UHFFFAOYSA-N -1 1 387.469 2.334 20 0 GEADMM CCCS(=O)(=O)Nc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000825342705 607548293 /nfs/dbraw/zinc/54/82/93/607548293.db2.gz WOBBOZTVBTZZSP-UHFFFAOYSA-N -1 1 387.469 2.334 20 0 GEADMM COc1ccc([C@H]2CCCN2C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000832272351 602226714 /nfs/dbraw/zinc/22/67/14/602226714.db2.gz DUBHMLDUGYUVHH-RDTXWAMCSA-N -1 1 378.469 2.456 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-])c2C1 ZINC000738896726 602227847 /nfs/dbraw/zinc/22/78/47/602227847.db2.gz PNZWXUNWVPWXEN-UONOGXRCSA-N -1 1 390.484 2.148 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000739010535 602261501 /nfs/dbraw/zinc/26/15/01/602261501.db2.gz OFPFEDRWPRFPSS-WBAXXEDZSA-N -1 1 393.459 2.236 20 0 GEADMM CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000313037802 602327058 /nfs/dbraw/zinc/32/70/58/602327058.db2.gz QWKLVBRJNGHAIW-HNNXBMFYSA-N -1 1 392.452 2.419 20 0 GEADMM CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000313037802 602327060 /nfs/dbraw/zinc/32/70/60/602327060.db2.gz QWKLVBRJNGHAIW-HNNXBMFYSA-N -1 1 392.452 2.419 20 0 GEADMM O=C([O-])C1CCN(C(=O)CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000833190034 602346708 /nfs/dbraw/zinc/34/67/08/602346708.db2.gz IAYDYVNXQCNHNR-SJORKVTESA-N -1 1 378.469 2.271 20 0 GEADMM CN(CC1CCN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC1)C(=O)[O-] ZINC000739735696 602391627 /nfs/dbraw/zinc/39/16/27/602391627.db2.gz CXZOXIPSBZNASW-UHFFFAOYSA-N -1 1 389.500 2.292 20 0 GEADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444053274 649932673 /nfs/dbraw/zinc/93/26/73/649932673.db2.gz VCOCQQFYYWWHCD-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM CN(C[C@H]1CCCN(CC(=O)NCCc2cccc3cccnc32)C1)C(=O)[O-] ZINC000739637735 602399849 /nfs/dbraw/zinc/39/98/49/602399849.db2.gz QYXDCIIOMXRHNS-MRXNPFEDSA-N -1 1 384.480 2.215 20 0 GEADMM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739017003 602444710 /nfs/dbraw/zinc/44/47/10/602444710.db2.gz SYPIHULVDYRJTD-JJRVBVJISA-N -1 1 375.469 2.383 20 0 GEADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739396475 602451078 /nfs/dbraw/zinc/45/10/78/602451078.db2.gz YVUIPYPYTQMSQH-OAHLLOKOSA-N -1 1 376.457 2.295 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1F ZINC000738091711 602530125 /nfs/dbraw/zinc/53/01/25/602530125.db2.gz WLWCOGVWTFTWBI-CYBMUJFWSA-N -1 1 381.448 2.255 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000739933296 602532392 /nfs/dbraw/zinc/53/23/92/602532392.db2.gz WBXGAFKKMVPANN-KKUMJFAQSA-N -1 1 393.484 2.201 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740079099 602553689 /nfs/dbraw/zinc/55/36/89/602553689.db2.gz FNEXAYHCIXXTFK-INIZCTEOSA-N -1 1 389.500 2.210 20 0 GEADMM CCOC(=O)Nc1ccc2c(CN(C)[C@@H](C)CNC(=O)[O-])cc(=O)oc2c1 ZINC000739475121 602555874 /nfs/dbraw/zinc/55/58/74/602555874.db2.gz MRGIHWWNIZJFRB-NSHDSACASA-N -1 1 377.397 2.449 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC(N(C)C(=O)[O-])CC2)N(C)C)c1 ZINC000738118195 602561929 /nfs/dbraw/zinc/56/19/29/602561929.db2.gz QXXBOAGVGINCCD-KRWDZBQOSA-N -1 1 378.473 2.082 20 0 GEADMM COc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(C=O)c1 ZINC000826211431 607573620 /nfs/dbraw/zinc/57/36/20/607573620.db2.gz CQIKXMBCRBEBPG-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM COc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(C=O)c1 ZINC000826211431 607573621 /nfs/dbraw/zinc/57/36/21/607573621.db2.gz CQIKXMBCRBEBPG-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM CN1CCN(Cc2cccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])c2)CC1 ZINC000739736850 602570030 /nfs/dbraw/zinc/57/00/30/602570030.db2.gz ROGNRBLVSBZTKI-HXUWFJFHSA-N -1 1 396.491 2.251 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738148735 602575880 /nfs/dbraw/zinc/57/58/80/602575880.db2.gz GMXILKAPXYLTQN-UHFFFAOYSA-N -1 1 380.364 2.219 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739891675 602612259 /nfs/dbraw/zinc/61/22/59/602612259.db2.gz DMTNHFBYSDFXCO-FUHWJXTLSA-N -1 1 390.484 2.274 20 0 GEADMM CC(=O)Nc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000824005162 607576339 /nfs/dbraw/zinc/57/63/39/607576339.db2.gz LRLPIQDPVVCYIN-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM CC(=O)Nc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000824005162 607576342 /nfs/dbraw/zinc/57/63/42/607576342.db2.gz LRLPIQDPVVCYIN-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739905013 602645416 /nfs/dbraw/zinc/64/54/16/602645416.db2.gz ZJYSCSNJEWEPPF-UHFFFAOYSA-N -1 1 393.421 2.222 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000740533731 602667194 /nfs/dbraw/zinc/66/71/94/602667194.db2.gz GYDRSBBQSVFSHP-HNNXBMFYSA-N -1 1 383.383 2.106 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000740533731 602667196 /nfs/dbraw/zinc/66/71/96/602667196.db2.gz GYDRSBBQSVFSHP-HNNXBMFYSA-N -1 1 383.383 2.106 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000739009670 602690845 /nfs/dbraw/zinc/69/08/45/602690845.db2.gz WJNBATNISSVZTC-HOCLYGCPSA-N -1 1 378.473 2.494 20 0 GEADMM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000740424923 602691490 /nfs/dbraw/zinc/69/14/90/602691490.db2.gz BFDJBQVEWDBRJE-JKSUJKDBSA-N -1 1 378.473 2.496 20 0 GEADMM O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493709 607577811 /nfs/dbraw/zinc/57/78/11/607577811.db2.gz YNYQEXOODBODMY-UHFFFAOYSA-N -1 1 392.265 2.330 20 0 GEADMM O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493709 607577812 /nfs/dbraw/zinc/57/78/12/607577812.db2.gz YNYQEXOODBODMY-UHFFFAOYSA-N -1 1 392.265 2.330 20 0 GEADMM O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488768 607582910 /nfs/dbraw/zinc/58/29/10/607582910.db2.gz YSFSBLIAWWWFFG-DTWKUNHWSA-N -1 1 393.366 2.405 20 0 GEADMM O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488768 607582911 /nfs/dbraw/zinc/58/29/11/607582911.db2.gz YSFSBLIAWWWFFG-DTWKUNHWSA-N -1 1 393.366 2.405 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000826203255 607583904 /nfs/dbraw/zinc/58/39/04/607583904.db2.gz GUZCZMSVYSHLBK-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)cc(Br)c2)n1 ZINC000826357979 607587916 /nfs/dbraw/zinc/58/79/16/607587916.db2.gz YXLANACFBUQTGC-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)cc(Br)c2)n1 ZINC000826357979 607587917 /nfs/dbraw/zinc/58/79/17/607587917.db2.gz YXLANACFBUQTGC-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM O=C([O-])N1CCCc2cc(NC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)ccc21 ZINC000740464918 602826481 /nfs/dbraw/zinc/82/64/81/602826481.db2.gz LLGDULCFWXURQY-ROUUACIJSA-N -1 1 388.468 2.180 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)N2CCCC2)o1 ZINC000740119517 602828733 /nfs/dbraw/zinc/82/87/33/602828733.db2.gz WCRZCVWEHBWTPS-BPUTZDHNSA-N -1 1 378.473 2.413 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000739982123 602891331 /nfs/dbraw/zinc/89/13/31/602891331.db2.gz ZUZIHMNOSDFPMT-GDBMZVCRSA-N -1 1 377.466 2.485 20 0 GEADMM CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824136036 607592895 /nfs/dbraw/zinc/59/28/95/607592895.db2.gz MMSQONDYJZAGAE-UHFFFAOYSA-N -1 1 394.435 2.032 20 0 GEADMM CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824136036 607592897 /nfs/dbraw/zinc/59/28/97/607592897.db2.gz MMSQONDYJZAGAE-UHFFFAOYSA-N -1 1 394.435 2.032 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(O)(c1ccccc1)c1ccccc1 ZINC000826467037 607594838 /nfs/dbraw/zinc/59/48/38/607594838.db2.gz DQMRZALAWIHXMM-UHFFFAOYSA-N -1 1 387.399 2.241 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(O)(c1ccccc1)c1ccccc1 ZINC000826467037 607594840 /nfs/dbraw/zinc/59/48/40/607594840.db2.gz DQMRZALAWIHXMM-UHFFFAOYSA-N -1 1 387.399 2.241 20 0 GEADMM COc1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccc1C ZINC000826179643 607596459 /nfs/dbraw/zinc/59/64/59/607596459.db2.gz XGLUZDSKFKAKED-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM COc1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1C ZINC000826179643 607596460 /nfs/dbraw/zinc/59/64/60/607596460.db2.gz XGLUZDSKFKAKED-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM O=S(=O)(N[C@H]1CCc2cc(F)ccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489234 607596949 /nfs/dbraw/zinc/59/69/49/607596949.db2.gz KRLPQJLGVUUMSN-ZDUSSCGKSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@H]1CCc2cc(F)ccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489234 607596951 /nfs/dbraw/zinc/59/69/51/607596951.db2.gz KRLPQJLGVUUMSN-ZDUSSCGKSA-N -1 1 377.376 2.111 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H](c1ccco1)N1CCCC1)C2 ZINC000831629255 603004660 /nfs/dbraw/zinc/00/46/60/603004660.db2.gz ZGEZNGVDHPPLIN-UYTSQGDYSA-N -1 1 376.457 2.389 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])N2CCCC2)c1 ZINC000739945267 603012925 /nfs/dbraw/zinc/01/29/25/603012925.db2.gz JGCYPZTXBSTAQU-KURKYZTESA-N -1 1 375.469 2.385 20 0 GEADMM CCCN(C)CC(=O)Nc1ccc(C(=O)OC2CCN(C(=O)[O-])CC2)cc1 ZINC000739351486 603022717 /nfs/dbraw/zinc/02/27/17/603022717.db2.gz QSPAGTVVEMHPFS-UHFFFAOYSA-N -1 1 377.441 2.266 20 0 GEADMM CN(C)c1nc2sc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2s1 ZINC000825884185 607602181 /nfs/dbraw/zinc/60/21/81/607602181.db2.gz VCMAAYJCALTRPB-UHFFFAOYSA-N -1 1 387.450 2.356 20 0 GEADMM CN(C)c1nc2sc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2s1 ZINC000825884185 607602183 /nfs/dbraw/zinc/60/21/83/607602183.db2.gz VCMAAYJCALTRPB-UHFFFAOYSA-N -1 1 387.450 2.356 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2)n1 ZINC000740681757 603059770 /nfs/dbraw/zinc/05/97/70/603059770.db2.gz SRYAEYCAIZCPMN-UHFFFAOYSA-N -1 1 393.407 2.461 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2)n[nH]1 ZINC000740681757 603059776 /nfs/dbraw/zinc/05/97/76/603059776.db2.gz SRYAEYCAIZCPMN-UHFFFAOYSA-N -1 1 393.407 2.461 20 0 GEADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739063907 603066710 /nfs/dbraw/zinc/06/67/10/603066710.db2.gz OHQYUHVEJCEOEH-GDBMZVCRSA-N -1 1 386.452 2.498 20 0 GEADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000823865862 603078231 /nfs/dbraw/zinc/07/82/31/603078231.db2.gz YMQJEHVGTHNIQD-ZIAGYGMSSA-N -1 1 387.440 2.011 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000823865862 603078236 /nfs/dbraw/zinc/07/82/36/603078236.db2.gz YMQJEHVGTHNIQD-ZIAGYGMSSA-N -1 1 387.440 2.011 20 0 GEADMM Cc1csc(CCCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826320816 607605367 /nfs/dbraw/zinc/60/53/67/607605367.db2.gz FZKIQXKBOPMIRR-UHFFFAOYSA-N -1 1 396.473 2.072 20 0 GEADMM Cc1csc(CCCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826320816 607605369 /nfs/dbraw/zinc/60/53/69/607605369.db2.gz FZKIQXKBOPMIRR-UHFFFAOYSA-N -1 1 396.473 2.072 20 0 GEADMM Cc1ccc(C2(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000826284985 607607996 /nfs/dbraw/zinc/60/79/96/607607996.db2.gz MRKDWVNBHWCHLU-UHFFFAOYSA-N -1 1 379.420 2.362 20 0 GEADMM Cc1ccc(C2(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CCOCC2)cc1 ZINC000826284985 607607998 /nfs/dbraw/zinc/60/79/98/607607998.db2.gz MRKDWVNBHWCHLU-UHFFFAOYSA-N -1 1 379.420 2.362 20 0 GEADMM CCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC000825242304 607608867 /nfs/dbraw/zinc/60/88/67/607608867.db2.gz NUJCRSUPEDNACZ-ZDUSSCGKSA-N -1 1 376.417 2.221 20 0 GEADMM CCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC000825242304 607608868 /nfs/dbraw/zinc/60/88/68/607608868.db2.gz NUJCRSUPEDNACZ-ZDUSSCGKSA-N -1 1 376.417 2.221 20 0 GEADMM C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824937599 607609646 /nfs/dbraw/zinc/60/96/46/607609646.db2.gz PZSXWPVGGLMONY-GZMMTYOYSA-N -1 1 375.376 2.352 20 0 GEADMM CC(C)(C)c1csc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000824135991 607610053 /nfs/dbraw/zinc/61/00/53/607610053.db2.gz LIXRSTXYBQJBCD-UHFFFAOYSA-N -1 1 396.473 2.238 20 0 GEADMM CCOc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000825638289 607610116 /nfs/dbraw/zinc/61/01/16/607610116.db2.gz IZPINTHPIQCIFL-UHFFFAOYSA-N -1 1 395.391 2.022 20 0 GEADMM CCOc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000825638289 607610117 /nfs/dbraw/zinc/61/01/17/607610117.db2.gz IZPINTHPIQCIFL-UHFFFAOYSA-N -1 1 395.391 2.022 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2ccc(F)cc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489581 607611169 /nfs/dbraw/zinc/61/11/69/607611169.db2.gz USWWUOOILVDSLX-CQSZACIVSA-N -1 1 377.376 2.111 20 0 GEADMM Cc1nc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000826323831 607612000 /nfs/dbraw/zinc/61/20/00/607612000.db2.gz UAEOBFPFMXGAEB-SSDOTTSWSA-N -1 1 384.874 2.325 20 0 GEADMM Cc1nc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000826323831 607612002 /nfs/dbraw/zinc/61/20/02/607612002.db2.gz UAEOBFPFMXGAEB-SSDOTTSWSA-N -1 1 384.874 2.325 20 0 GEADMM COC1(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CCN(C(=O)[O-])CC1 ZINC000828849649 603229879 /nfs/dbraw/zinc/22/98/79/603229879.db2.gz UZUQWHAHILRXCC-KRWDZBQOSA-N -1 1 389.496 2.268 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)C[C@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000829592305 603235461 /nfs/dbraw/zinc/23/54/61/603235461.db2.gz PNTJVVLYXTXSRO-NVXWUHKLSA-N -1 1 375.469 2.481 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488506 607617244 /nfs/dbraw/zinc/61/72/44/607617244.db2.gz RJYLXVJPIPSUBD-QPUJVOFHSA-N -1 1 395.366 2.118 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488506 607617246 /nfs/dbraw/zinc/61/72/46/607617246.db2.gz RJYLXVJPIPSUBD-QPUJVOFHSA-N -1 1 395.366 2.118 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)CC1 ZINC000827227250 603259863 /nfs/dbraw/zinc/25/98/63/603259863.db2.gz CQZHEWXUDIZWFU-HNNXBMFYSA-N -1 1 375.473 2.045 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827228053 603259896 /nfs/dbraw/zinc/25/98/96/603259896.db2.gz KUJJDJXHBAXKHA-HZPDHXFCSA-N -1 1 389.500 2.386 20 0 GEADMM O=S(=O)(N[C@@H]1CSc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489039 607619293 /nfs/dbraw/zinc/61/92/93/607619293.db2.gz GJEADDQITAXNDX-GFCCVEGCSA-N -1 1 377.426 2.131 20 0 GEADMM CN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c2ccccc21 ZINC000826038886 607619493 /nfs/dbraw/zinc/61/94/93/607619493.db2.gz ZTKZCJFRKJMDIJ-UHFFFAOYSA-N -1 1 390.856 2.165 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)N1CCCC1 ZINC000738118481 603294344 /nfs/dbraw/zinc/29/43/44/603294344.db2.gz BVQMSGPBJGVSEW-WBVHZDCISA-N -1 1 390.484 2.274 20 0 GEADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000740193673 603304065 /nfs/dbraw/zinc/30/40/65/603304065.db2.gz ILSNCECSFIIERA-KRWDZBQOSA-N -1 1 389.496 2.297 20 0 GEADMM CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739735486 603318847 /nfs/dbraw/zinc/31/88/47/603318847.db2.gz RKMARGXVHCXZKJ-NSHDSACASA-N -1 1 389.378 2.163 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000832758199 603397658 /nfs/dbraw/zinc/39/76/58/603397658.db2.gz ZJXQJRAVFCRGEQ-SFTDATJTSA-N -1 1 383.492 2.044 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000740703685 603403227 /nfs/dbraw/zinc/40/32/27/603403227.db2.gz OXKPJBIOMNDPFM-UHFFFAOYSA-N -1 1 388.468 2.440 20 0 GEADMM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000740363301 603405789 /nfs/dbraw/zinc/40/57/89/603405789.db2.gz CFTOJJJLEPVAMN-QGZVFWFLSA-N -1 1 393.509 2.333 20 0 GEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000738954108 603413394 /nfs/dbraw/zinc/41/33/94/603413394.db2.gz UVNXHDNAWJHNMZ-ORIJERBGSA-N -1 1 391.468 2.002 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000829362368 603437577 /nfs/dbraw/zinc/43/75/77/603437577.db2.gz KJLLBPYZBZYEHO-SJORKVTESA-N -1 1 375.469 2.166 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000824641008 607629714 /nfs/dbraw/zinc/62/97/14/607629714.db2.gz QZRYKCLGKFRFAB-SECBINFHSA-N -1 1 379.829 2.265 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824641008 607629715 /nfs/dbraw/zinc/62/97/15/607629715.db2.gz QZRYKCLGKFRFAB-SECBINFHSA-N -1 1 379.829 2.265 20 0 GEADMM CCCc1nc([C@H]2CN(C(=O)Nc3cccc(CNC(=O)[O-])c3)CCO2)n[nH]1 ZINC000826953958 603471617 /nfs/dbraw/zinc/47/16/17/603471617.db2.gz MXCCFGMCUOPZFJ-CQSZACIVSA-N -1 1 388.428 2.130 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3cccc(CNC(=O)[O-])c3)CCO2)n1 ZINC000826953958 603471621 /nfs/dbraw/zinc/47/16/21/603471621.db2.gz MXCCFGMCUOPZFJ-CQSZACIVSA-N -1 1 388.428 2.130 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1 ZINC000832326434 603487377 /nfs/dbraw/zinc/48/73/77/603487377.db2.gz RERRKKCIVSILMV-QWHCGFSZSA-N -1 1 387.440 2.164 20 0 GEADMM C[C@H](C(=O)N[C@H](c1nn[nH]n1)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677414 603508231 /nfs/dbraw/zinc/50/82/31/603508231.db2.gz KRIWBZPPFMWJQX-MAZHCROVSA-N -1 1 380.408 2.050 20 0 GEADMM CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000824329655 603540529 /nfs/dbraw/zinc/54/05/29/603540529.db2.gz IEIOAOCHIBUMPQ-UHFFFAOYSA-N -1 1 392.481 2.490 20 0 GEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000832648085 603540821 /nfs/dbraw/zinc/54/08/21/603540821.db2.gz VXDWWCVVQQCPNG-CQSZACIVSA-N -1 1 390.415 2.077 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)n[nH]2)cc1OC ZINC000829234792 603542325 /nfs/dbraw/zinc/54/23/25/603542325.db2.gz UVFNXBFKYMMSCH-DGCLKSJQSA-N -1 1 388.424 2.212 20 0 GEADMM CC(C)C[C@@H]1CC[N@@H+](CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232894 603592838 /nfs/dbraw/zinc/59/28/38/603592838.db2.gz USRUUMCTNCUZBI-KHYOSLBOSA-N -1 1 380.489 2.060 20 0 GEADMM CC(C)C[C@@H]1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000824232894 603592840 /nfs/dbraw/zinc/59/28/40/603592840.db2.gz USRUUMCTNCUZBI-KHYOSLBOSA-N -1 1 380.489 2.060 20 0 GEADMM CCC(CC)N(CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C1CC1 ZINC000826572702 603593467 /nfs/dbraw/zinc/59/34/67/603593467.db2.gz ZNAVCAWVTXQPEV-BFUOFWGJSA-N -1 1 380.489 2.345 20 0 GEADMM CC1CCC(N(C)CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)CC1 ZINC000825880288 603593736 /nfs/dbraw/zinc/59/37/36/603593736.db2.gz KMZGYYPKPBQBOB-GYWLZCDHSA-N -1 1 380.489 2.203 20 0 GEADMM CC[C@](C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nccs1 ZINC000825043105 607639828 /nfs/dbraw/zinc/63/98/28/607639828.db2.gz DZBZVXBWWIPQDO-AWEZNQCLSA-N -1 1 382.446 2.066 20 0 GEADMM CC[C@](C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nccs1 ZINC000825043105 607639829 /nfs/dbraw/zinc/63/98/29/607639829.db2.gz DZBZVXBWWIPQDO-AWEZNQCLSA-N -1 1 382.446 2.066 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829313129 603611087 /nfs/dbraw/zinc/61/10/87/603611087.db2.gz ZZXLAXPJNBGTQG-SJLPKXTDSA-N -1 1 390.484 2.226 20 0 GEADMM NC(=O)[C@H](N[C@@H]1CCC[C@H]1CNC(=O)[O-])c1ccc(Br)cc1F ZINC000831167886 603650855 /nfs/dbraw/zinc/65/08/55/603650855.db2.gz SCUWKHRZLKTNIB-ZEGGKSINSA-N -1 1 388.237 2.141 20 0 GEADMM Cc1cc(C)cc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826264469 607642610 /nfs/dbraw/zinc/64/26/10/607642610.db2.gz PLCVSGHPFUMNOP-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM Cc1cc(C)cc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826264469 607642612 /nfs/dbraw/zinc/64/26/12/607642612.db2.gz PLCVSGHPFUMNOP-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC000825582058 607647136 /nfs/dbraw/zinc/64/71/36/607647136.db2.gz GXGDLTZAKZKLPW-QWHCGFSZSA-N -1 1 397.888 2.146 20 0 GEADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC000825582058 607647138 /nfs/dbraw/zinc/64/71/38/607647138.db2.gz GXGDLTZAKZKLPW-QWHCGFSZSA-N -1 1 397.888 2.146 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000825192165 603718056 /nfs/dbraw/zinc/71/80/56/603718056.db2.gz CHULEXSEWOMFRW-VQIMIIECSA-N -1 1 388.512 2.085 20 0 GEADMM Cc1cccc(O[C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826299993 607648741 /nfs/dbraw/zinc/64/87/41/607648741.db2.gz CXUZGNZXLVETIT-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1cccc(O[C@@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826299993 607648743 /nfs/dbraw/zinc/64/87/43/607648743.db2.gz CXUZGNZXLVETIT-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM CCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826883951 603756139 /nfs/dbraw/zinc/75/61/39/603756139.db2.gz FJFWKKZKYCFBJL-LJQANCHMSA-N -1 1 388.512 2.039 20 0 GEADMM CN(C)Cc1cc(CNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)ccc1F ZINC000828042627 603803259 /nfs/dbraw/zinc/80/32/59/603803259.db2.gz KHBOJNFZUNMEQL-UHFFFAOYSA-N -1 1 385.439 2.309 20 0 GEADMM COc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1OC ZINC000826211742 607655093 /nfs/dbraw/zinc/65/50/93/607655093.db2.gz SBHXBWBKYGNFIZ-UHFFFAOYSA-N -1 1 396.812 2.305 20 0 GEADMM COc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1OC ZINC000826211742 607655095 /nfs/dbraw/zinc/65/50/95/607655095.db2.gz SBHXBWBKYGNFIZ-UHFFFAOYSA-N -1 1 396.812 2.305 20 0 GEADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCCC2 ZINC000825581838 607656139 /nfs/dbraw/zinc/65/61/39/607656139.db2.gz DYGSYGCAAOVLDI-GJZGRUSLSA-N -1 1 395.460 2.022 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829592017 603865023 /nfs/dbraw/zinc/86/50/23/603865023.db2.gz KMVGSQHRISFUBZ-OXQOHEQNSA-N -1 1 375.469 2.338 20 0 GEADMM CSc1ccc(F)cc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826230670 607657898 /nfs/dbraw/zinc/65/78/98/607657898.db2.gz DWTXDGYEXPEGHE-UHFFFAOYSA-N -1 1 397.432 2.345 20 0 GEADMM CSc1ccc(F)cc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826230670 607657899 /nfs/dbraw/zinc/65/78/99/607657899.db2.gz DWTXDGYEXPEGHE-UHFFFAOYSA-N -1 1 397.432 2.345 20 0 GEADMM CCO[C@@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C1CCCC1 ZINC000825576491 607659006 /nfs/dbraw/zinc/65/90/06/607659006.db2.gz ILAWVDBCUCHPJR-HNNXBMFYSA-N -1 1 397.476 2.270 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000832514548 603919992 /nfs/dbraw/zinc/91/99/92/603919992.db2.gz NIESQYVLKCWKLG-CMPLNLGQSA-N -1 1 376.438 2.180 20 0 GEADMM Cc1cnc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826318137 607664031 /nfs/dbraw/zinc/66/40/31/607664031.db2.gz WWOPUYWHOGCMKM-MRVPVSSYSA-N -1 1 384.874 2.325 20 0 GEADMM Cc1cnc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826318137 607664032 /nfs/dbraw/zinc/66/40/32/607664032.db2.gz WWOPUYWHOGCMKM-MRVPVSSYSA-N -1 1 384.874 2.325 20 0 GEADMM CC(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccnc1 ZINC000824190967 607664678 /nfs/dbraw/zinc/66/46/78/607664678.db2.gz CCUXDVDUPJAZRX-CYBMUJFWSA-N -1 1 390.444 2.119 20 0 GEADMM CC(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccnc1 ZINC000824190967 607664680 /nfs/dbraw/zinc/66/46/80/607664680.db2.gz CCUXDVDUPJAZRX-CYBMUJFWSA-N -1 1 390.444 2.119 20 0 GEADMM O=C([O-])Nc1cc2c(cc1NC(=O)CSc1n[nH]c(=S)s1)OCO2 ZINC000832825280 604006436 /nfs/dbraw/zinc/00/64/36/604006436.db2.gz KUJNCSHXRFRSKJ-UHFFFAOYSA-N -1 1 386.436 2.376 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000827417975 604014403 /nfs/dbraw/zinc/01/44/03/604014403.db2.gz HHPGYLMOYYASMX-JKSUJKDBSA-N -1 1 390.484 2.212 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](NC(=O)[O-])[C@H](C)CC ZINC000827419028 604014840 /nfs/dbraw/zinc/01/48/40/604014840.db2.gz WIZHFGXIJUMLLF-KDOFPFPSSA-N -1 1 392.500 2.458 20 0 GEADMM Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc4c3CCN4C(=O)[O-])cc12 ZINC000830862422 604015307 /nfs/dbraw/zinc/01/53/07/604015307.db2.gz XWCYYRIIZSDIME-UHFFFAOYSA-N -1 1 387.421 2.118 20 0 GEADMM Cc1ccc(-c2cnc(CN3CCC[C@H](C(=O)NCCNC(=O)[O-])C3)o2)cc1 ZINC000830148780 604036999 /nfs/dbraw/zinc/03/69/99/604036999.db2.gz JJDXFQYEQQNWCA-INIZCTEOSA-N -1 1 386.452 2.246 20 0 GEADMM Cc1ccccc1-c1cnc(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)o1 ZINC000830544857 604037514 /nfs/dbraw/zinc/03/75/14/604037514.db2.gz FPRFKVFOZUXEQU-OAHLLOKOSA-N -1 1 386.452 2.246 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2N2CCN(C)CC2)C1 ZINC000825237279 604061682 /nfs/dbraw/zinc/06/16/82/604061682.db2.gz SRXYFXIQHICLGO-CVEARBPZSA-N -1 1 389.500 2.338 20 0 GEADMM C[C@H](C(=O)N1CCC(OCCCNC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000823663509 604071123 /nfs/dbraw/zinc/07/11/23/604071123.db2.gz SFLJESKMNKWSGX-MRXNPFEDSA-N -1 1 389.496 2.099 20 0 GEADMM O=S(=O)(N[C@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488852 607672759 /nfs/dbraw/zinc/67/27/59/607672759.db2.gz ANVOPVJMMIUPDM-LBPRGKRZSA-N -1 1 395.803 2.071 20 0 GEADMM O=S(=O)(N[C@H]1COc2ccc(Cl)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489016 607673898 /nfs/dbraw/zinc/67/38/98/607673898.db2.gz FSCVIEYONQEUGH-NSHDSACASA-N -1 1 395.803 2.071 20 0 GEADMM O=S(=O)(N[C@H]1COc2ccc(Cl)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489016 607673899 /nfs/dbraw/zinc/67/38/99/607673899.db2.gz FSCVIEYONQEUGH-NSHDSACASA-N -1 1 395.803 2.071 20 0 GEADMM CN(CCNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000828321444 604144820 /nfs/dbraw/zinc/14/48/20/604144820.db2.gz RBYHTLPLMSMPBZ-UHFFFAOYSA-N -1 1 380.464 2.289 20 0 GEADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000825427798 604147486 /nfs/dbraw/zinc/14/74/86/604147486.db2.gz ZINNNODJKJMSLG-CABCVRRESA-N -1 1 376.457 2.201 20 0 GEADMM CCN(CC1CCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1)C(=O)[O-] ZINC000827075092 604153030 /nfs/dbraw/zinc/15/30/30/604153030.db2.gz OEEQQJUZDMTDSH-UHFFFAOYSA-N -1 1 386.456 2.393 20 0 GEADMM CCN(CC1CCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC1)C(=O)[O-] ZINC000827075092 604153032 /nfs/dbraw/zinc/15/30/32/604153032.db2.gz OEEQQJUZDMTDSH-UHFFFAOYSA-N -1 1 386.456 2.393 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC000826203565 607675377 /nfs/dbraw/zinc/67/53/77/607675377.db2.gz VZKOGNVMFAHKHO-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1Cl ZINC000826203565 607675380 /nfs/dbraw/zinc/67/53/80/607675380.db2.gz VZKOGNVMFAHKHO-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255978 604190086 /nfs/dbraw/zinc/19/00/86/604190086.db2.gz STLYFIMZISOQIT-HWMZRRJGSA-N -1 1 375.469 2.383 20 0 GEADMM Cc1[nH]nc(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1Br ZINC000830673095 604242531 /nfs/dbraw/zinc/24/25/31/604242531.db2.gz RRPLVLAMSDURMJ-UHFFFAOYSA-N -1 1 385.262 2.475 20 0 GEADMM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000832051382 604283091 /nfs/dbraw/zinc/28/30/91/604283091.db2.gz VPJYDJPQWYRRMJ-UONOGXRCSA-N -1 1 378.816 2.259 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)C1 ZINC000825244596 604297409 /nfs/dbraw/zinc/29/74/09/604297409.db2.gz KGGZSHPHYASCSL-ONGXEEELSA-N -1 1 376.438 2.132 20 0 GEADMM C[C@@H](Cc1ccc(O)cc1)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000827586458 604395329 /nfs/dbraw/zinc/39/53/29/604395329.db2.gz NBZIICPENWGYHK-MGPUTAFESA-N -1 1 382.460 2.293 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000826058185 604422097 /nfs/dbraw/zinc/42/20/97/604422097.db2.gz MZGSTLSCNXKYMD-OAGGEKHMSA-N -1 1 392.500 2.314 20 0 GEADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(NC(=O)[O-])nc3)cc21 ZINC000825695858 604422735 /nfs/dbraw/zinc/42/27/35/604422735.db2.gz GKVOFVNPRQDAAF-UHFFFAOYSA-N -1 1 376.394 2.202 20 0 GEADMM COc1ccc(-c2cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])n[nH]2)cc1OC ZINC000832111282 604449115 /nfs/dbraw/zinc/44/91/15/604449115.db2.gz DZTQWZORNPRJTH-OAHLLOKOSA-N -1 1 391.424 2.044 20 0 GEADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)nc2nc(C(F)(F)F)nn21 ZINC000830044374 604468323 /nfs/dbraw/zinc/46/83/23/604468323.db2.gz NLWQGTYDRLDRHJ-CYBMUJFWSA-N -1 1 395.341 2.457 20 0 GEADMM 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/nfs/dbraw/zinc/77/18/09/605771809.db2.gz QNKATLMNWIVMKK-AAEUAGOBSA-N -1 1 388.424 2.355 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)n[nH]2)cc1OC ZINC000829234592 605772002 /nfs/dbraw/zinc/77/20/02/605772002.db2.gz QNKATLMNWIVMKK-DGCLKSJQSA-N -1 1 388.424 2.355 20 0 GEADMM O=C([O-])N1CSC[C@H]1C(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000834284928 605782717 /nfs/dbraw/zinc/78/27/17/605782717.db2.gz ABBNYENLLSDNKU-JTQLQIEISA-N -1 1 386.227 2.422 20 0 GEADMM O=C([O-])N1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834024667 605820205 /nfs/dbraw/zinc/82/02/05/605820205.db2.gz OTXBBYGHORTAMQ-UONOGXRCSA-N -1 1 376.461 2.104 20 0 GEADMM O=C([O-])N[C@H](CNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834145516 605824517 /nfs/dbraw/zinc/82/45/17/605824517.db2.gz NWWZDQJWYWLFHA-CABCVRRESA-N -1 1 384.440 2.364 20 0 GEADMM CC(C)(C)CCN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)[O-])CC1 ZINC000833429652 605901018 /nfs/dbraw/zinc/90/10/18/605901018.db2.gz SSYHSNAQOHOVRW-UHFFFAOYSA-N -1 1 397.422 2.182 20 0 GEADMM CC(C)(C)CCN1CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC1 ZINC000833429746 605901104 /nfs/dbraw/zinc/90/11/04/605901104.db2.gz VSHOFZPVJLNIOZ-UHFFFAOYSA-N -1 1 379.432 2.043 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833550967 605902125 /nfs/dbraw/zinc/90/21/25/605902125.db2.gz ZTIGBMVVAFABAU-DZGCQCFKSA-N -1 1 399.422 2.414 20 0 GEADMM C[C@@H]1CCc2c(sc3nc(CCN4CC[C@H](NC(=O)[O-])C4)nc(N)c32)C1 ZINC000739111602 605937001 /nfs/dbraw/zinc/93/70/01/605937001.db2.gz BBMYZBBEJSJMCS-MNOVXSKESA-N -1 1 375.498 2.283 20 0 GEADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)[O-])n[nH]1 ZINC000833511963 605943937 /nfs/dbraw/zinc/94/39/37/605943937.db2.gz GMBOYCQCZZDMPN-MRVPVSSYSA-N -1 1 379.804 2.096 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170316 605975713 /nfs/dbraw/zinc/97/57/13/605975713.db2.gz SUFOYUFIHYSIMB-ZBFHGGJFSA-N -1 1 375.469 2.408 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000819971055 606062914 /nfs/dbraw/zinc/06/29/14/606062914.db2.gz CLORYVZQVIRTCH-NSHDSACASA-N -1 1 398.402 2.022 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000819971055 606062917 /nfs/dbraw/zinc/06/29/17/606062917.db2.gz CLORYVZQVIRTCH-NSHDSACASA-N -1 1 398.402 2.022 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(-n3ccnc3)c2)cc1-c1nn[n-]n1 ZINC000821977602 606114353 /nfs/dbraw/zinc/11/43/53/606114353.db2.gz IIUWPHFOTIYNDN-UHFFFAOYSA-N -1 1 394.420 2.127 20 0 GEADMM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821418291 606119860 /nfs/dbraw/zinc/11/98/60/606119860.db2.gz YWRHPXBLWXBBQM-UHFFFAOYSA-N -1 1 386.437 2.281 20 0 GEADMM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821418291 606119861 /nfs/dbraw/zinc/11/98/61/606119861.db2.gz YWRHPXBLWXBBQM-UHFFFAOYSA-N -1 1 386.437 2.281 20 0 GEADMM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154818 606121068 /nfs/dbraw/zinc/12/10/68/606121068.db2.gz KTUREQDSBGNGIO-NSHDSACASA-N -1 1 388.840 2.117 20 0 GEADMM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154818 606121069 /nfs/dbraw/zinc/12/10/69/606121069.db2.gz KTUREQDSBGNGIO-NSHDSACASA-N -1 1 388.840 2.117 20 0 GEADMM C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820734647 606132384 /nfs/dbraw/zinc/13/23/84/606132384.db2.gz NLQIOTKNFJVXFD-LLVKDONJSA-N -1 1 383.433 2.453 20 0 GEADMM C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820734647 606132386 /nfs/dbraw/zinc/13/23/86/606132386.db2.gz NLQIOTKNFJVXFD-LLVKDONJSA-N -1 1 383.433 2.453 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819933511 606133877 /nfs/dbraw/zinc/13/38/77/606133877.db2.gz UJYUCGWHLWMXNU-SNVBAGLBSA-N -1 1 379.442 2.485 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819933511 606133878 /nfs/dbraw/zinc/13/38/78/606133878.db2.gz UJYUCGWHLWMXNU-SNVBAGLBSA-N -1 1 379.442 2.485 20 0 GEADMM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819845160 606135363 /nfs/dbraw/zinc/13/53/63/606135363.db2.gz PTOBXQCKLPDDNV-JTQLQIEISA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819845160 606135365 /nfs/dbraw/zinc/13/53/65/606135365.db2.gz PTOBXQCKLPDDNV-JTQLQIEISA-N -1 1 385.405 2.315 20 0 GEADMM O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440128 606135759 /nfs/dbraw/zinc/13/57/59/606135759.db2.gz DNDWQKBTRUTNRI-UHFFFAOYSA-N -1 1 386.368 2.398 20 0 GEADMM O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440128 606135760 /nfs/dbraw/zinc/13/57/60/606135760.db2.gz DNDWQKBTRUTNRI-UHFFFAOYSA-N -1 1 386.368 2.398 20 0 GEADMM O=C(OCCCc1nc(-c2ccncc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823404571 606136053 /nfs/dbraw/zinc/13/60/53/606136053.db2.gz AJKDSGKTVVDGKP-UHFFFAOYSA-N -1 1 383.393 2.163 20 0 GEADMM O=C(OCCCc1nc(-c2ccncc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823404571 606136055 /nfs/dbraw/zinc/13/60/55/606136055.db2.gz AJKDSGKTVVDGKP-UHFFFAOYSA-N -1 1 383.393 2.163 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ncc(Cl)cc1Cl ZINC000823026727 606139791 /nfs/dbraw/zinc/13/97/91/606139791.db2.gz CXBQXYLOQHUKGP-UHFFFAOYSA-N -1 1 399.219 2.426 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ncc(Cl)cc1Cl ZINC000823026727 606139794 /nfs/dbraw/zinc/13/97/94/606139794.db2.gz CXBQXYLOQHUKGP-UHFFFAOYSA-N -1 1 399.219 2.426 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@]2(CCCOC2)C1 ZINC000823600551 606146862 /nfs/dbraw/zinc/14/68/62/606146862.db2.gz IDZPYYGYVOTTJR-INIZCTEOSA-N -1 1 397.888 2.101 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCCOc2ccc(Cl)cc2)n1 ZINC000822613674 606157734 /nfs/dbraw/zinc/15/77/34/606157734.db2.gz FPVCIAQZDQYUGT-UHFFFAOYSA-N -1 1 390.835 2.234 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCCOc2ccc(Cl)cc2)n1 ZINC000822613674 606157736 /nfs/dbraw/zinc/15/77/36/606157736.db2.gz FPVCIAQZDQYUGT-UHFFFAOYSA-N -1 1 390.835 2.234 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000822608624 606158700 /nfs/dbraw/zinc/15/87/00/606158700.db2.gz FTJZLUVGTHYKJC-LLVKDONJSA-N -1 1 393.411 2.153 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000822608624 606158702 /nfs/dbraw/zinc/15/87/02/606158702.db2.gz FTJZLUVGTHYKJC-LLVKDONJSA-N -1 1 393.411 2.153 20 0 GEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)s1 ZINC000821505538 606160567 /nfs/dbraw/zinc/16/05/67/606160567.db2.gz SLYCGXTVIPONEL-VIFPVBQESA-N -1 1 375.462 2.152 20 0 GEADMM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)s1 ZINC000821505538 606160568 /nfs/dbraw/zinc/16/05/68/606160568.db2.gz SLYCGXTVIPONEL-VIFPVBQESA-N -1 1 375.462 2.152 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OC3CCCC3)cc2)n1 ZINC000822620183 606164502 /nfs/dbraw/zinc/16/45/02/606164502.db2.gz KOWWQOPUPRSEDZ-UHFFFAOYSA-N -1 1 382.428 2.243 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OC3CCCC3)cc2)n1 ZINC000822620183 606164505 /nfs/dbraw/zinc/16/45/05/606164505.db2.gz KOWWQOPUPRSEDZ-UHFFFAOYSA-N -1 1 382.428 2.243 20 0 GEADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821850205 606167157 /nfs/dbraw/zinc/16/71/57/606167157.db2.gz YZYHOIAQJLBVLL-OAHLLOKOSA-N -1 1 382.428 2.150 20 0 GEADMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821850205 606167158 /nfs/dbraw/zinc/16/71/58/606167158.db2.gz YZYHOIAQJLBVLL-OAHLLOKOSA-N -1 1 382.428 2.150 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000822609678 606168844 /nfs/dbraw/zinc/16/88/44/606168844.db2.gz UTHQQKDLBUTHQN-CYBMUJFWSA-N -1 1 391.439 2.493 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000822609678 606168845 /nfs/dbraw/zinc/16/88/45/606168845.db2.gz UTHQQKDLBUTHQN-CYBMUJFWSA-N -1 1 391.439 2.493 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(Cl)cc2Cl)n1 ZINC000822620548 606169477 /nfs/dbraw/zinc/16/94/77/606169477.db2.gz WJXMLXYKFHAMIW-UHFFFAOYSA-N -1 1 381.227 2.271 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(Cl)cc2Cl)n1 ZINC000822620548 606169478 /nfs/dbraw/zinc/16/94/78/606169478.db2.gz WJXMLXYKFHAMIW-UHFFFAOYSA-N -1 1 381.227 2.271 20 0 GEADMM Cc1[nH]c2c(cc(C)cc2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC000822200793 606171019 /nfs/dbraw/zinc/17/10/19/606171019.db2.gz BADYQQNXLRTMCE-UHFFFAOYSA-N -1 1 379.428 2.328 20 0 GEADMM Cc1[nH]c2c(cc(C)cc2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC000822200793 606171021 /nfs/dbraw/zinc/17/10/21/606171021.db2.gz BADYQQNXLRTMCE-UHFFFAOYSA-N -1 1 379.428 2.328 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000822223799 606180660 /nfs/dbraw/zinc/18/06/60/606180660.db2.gz KWAQZEFXRKWMFW-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM C[C@]1(CCc2ccccc2)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820612923 606240463 /nfs/dbraw/zinc/24/04/63/606240463.db2.gz NXCXJXMUOYIWRU-IBGZPJMESA-N -1 1 398.492 2.295 20 0 GEADMM C[C@]1(CCc2ccccc2)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820612923 606240464 /nfs/dbraw/zinc/24/04/64/606240464.db2.gz NXCXJXMUOYIWRU-IBGZPJMESA-N -1 1 398.492 2.295 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2occc2Br)n1 ZINC000819971863 606259786 /nfs/dbraw/zinc/25/97/86/606259786.db2.gz VADQUEMTEMVEGE-UHFFFAOYSA-N -1 1 380.206 2.426 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2occc2Br)n1 ZINC000819971863 606259788 /nfs/dbraw/zinc/25/97/88/606259788.db2.gz VADQUEMTEMVEGE-UHFFFAOYSA-N -1 1 380.206 2.426 20 0 GEADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823284818 606287632 /nfs/dbraw/zinc/28/76/32/606287632.db2.gz KKKUQUPKAOYHHI-GXTWGEPZSA-N -1 1 395.394 2.465 20 0 GEADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823284818 606287634 /nfs/dbraw/zinc/28/76/34/606287634.db2.gz KKKUQUPKAOYHHI-GXTWGEPZSA-N -1 1 395.394 2.465 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2c(c1)NC(=O)CCS2 ZINC000823530291 606292234 /nfs/dbraw/zinc/29/22/34/606292234.db2.gz IHPMGSIDXYUHDS-UHFFFAOYSA-N -1 1 382.405 2.259 20 0 GEADMM CC(=O)CCc1ccc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000819782003 606293887 /nfs/dbraw/zinc/29/38/87/606293887.db2.gz HFIKRRSDVQBXSP-UHFFFAOYSA-N -1 1 381.392 2.111 20 0 GEADMM CC[C@@H](C)N1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000820876000 606393290 /nfs/dbraw/zinc/39/32/90/606393290.db2.gz JYRYMSPWXZPLPK-YMTOWFKASA-N -1 1 389.485 2.155 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3nn[n-]n3)s2)N(C)C(=O)N1C ZINC000820636063 606393636 /nfs/dbraw/zinc/39/36/36/606393636.db2.gz PMOCFROXUDHAJI-ZDUSSCGKSA-N -1 1 376.442 2.192 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(N)c(F)c2)c1-c1nn[n-]n1 ZINC000822487068 606436084 /nfs/dbraw/zinc/43/60/84/606436084.db2.gz ZUBTZVRNXWSHCH-UHFFFAOYSA-N -1 1 393.382 2.439 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823600040 606474336 /nfs/dbraw/zinc/47/43/36/606474336.db2.gz BZJXGBBTRHOLQK-ZIAGYGMSSA-N -1 1 383.474 2.055 20 0 GEADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821609690 606501799 /nfs/dbraw/zinc/50/17/99/606501799.db2.gz HVBKNEBEAQKZLY-UHFFFAOYSA-N -1 1 382.449 2.093 20 0 GEADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821609690 606501800 /nfs/dbraw/zinc/50/18/00/606501800.db2.gz HVBKNEBEAQKZLY-UHFFFAOYSA-N -1 1 382.449 2.093 20 0 GEADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC(F)F ZINC000821798467 606508611 /nfs/dbraw/zinc/50/86/11/606508611.db2.gz ANLLCYNBZRWBQT-UHFFFAOYSA-N -1 1 381.364 2.468 20 0 GEADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC(F)F ZINC000821798467 606508612 /nfs/dbraw/zinc/50/86/12/606508612.db2.gz ANLLCYNBZRWBQT-UHFFFAOYSA-N -1 1 381.364 2.468 20 0 GEADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)N2CCOCC2)cc1 ZINC000822230568 606517418 /nfs/dbraw/zinc/51/74/18/606517418.db2.gz KCEZJSSODIRNPU-HNNXBMFYSA-N -1 1 398.492 2.040 20 0 GEADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)N2CCOCC2)cc1 ZINC000822230568 606517419 /nfs/dbraw/zinc/51/74/19/606517419.db2.gz KCEZJSSODIRNPU-HNNXBMFYSA-N -1 1 398.492 2.040 20 0 GEADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC000819857827 606524272 /nfs/dbraw/zinc/52/42/72/606524272.db2.gz VTBZKBLPWFPDAL-GFCCVEGCSA-N -1 1 385.472 2.207 20 0 GEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000821573549 606524690 /nfs/dbraw/zinc/52/46/90/606524690.db2.gz VHGSOUOFCXFSTR-UHFFFAOYSA-N -1 1 392.485 2.400 20 0 GEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000821573549 606524692 /nfs/dbraw/zinc/52/46/92/606524692.db2.gz VHGSOUOFCXFSTR-UHFFFAOYSA-N -1 1 392.485 2.400 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939650 606537468 /nfs/dbraw/zinc/53/74/68/606537468.db2.gz HPTFOLYBOCMKFB-NSHDSACASA-N -1 1 392.485 2.448 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939650 606537470 /nfs/dbraw/zinc/53/74/70/606537470.db2.gz HPTFOLYBOCMKFB-NSHDSACASA-N -1 1 392.485 2.448 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823373161 606545326 /nfs/dbraw/zinc/54/53/26/606545326.db2.gz RTYPPBQTOBCLAG-UHFFFAOYSA-N -1 1 391.416 2.250 20 0 GEADMM O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823373161 606545328 /nfs/dbraw/zinc/54/53/28/606545328.db2.gz RTYPPBQTOBCLAG-UHFFFAOYSA-N -1 1 391.416 2.250 20 0 GEADMM CCN(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000821207329 606560223 /nfs/dbraw/zinc/56/02/23/606560223.db2.gz LHFKKOKCCFKGJD-UHFFFAOYSA-N -1 1 380.474 2.305 20 0 GEADMM CCN(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000821207329 606560225 /nfs/dbraw/zinc/56/02/25/606560225.db2.gz LHFKKOKCCFKGJD-UHFFFAOYSA-N -1 1 380.474 2.305 20 0 GEADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1N1CCCCC1 ZINC000822885373 606562571 /nfs/dbraw/zinc/56/25/71/606562571.db2.gz NEZCUUIGRJIMAL-UHFFFAOYSA-N -1 1 397.464 2.270 20 0 GEADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1N1CCCCC1 ZINC000822885373 606562574 /nfs/dbraw/zinc/56/25/74/606562574.db2.gz NEZCUUIGRJIMAL-UHFFFAOYSA-N -1 1 397.464 2.270 20 0 GEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821573583 606580921 /nfs/dbraw/zinc/58/09/21/606580921.db2.gz WJPXDWIVTMCSQO-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821573583 606580922 /nfs/dbraw/zinc/58/09/22/606580922.db2.gz WJPXDWIVTMCSQO-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM COc1ccc(C(=O)CCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821769136 606648035 /nfs/dbraw/zinc/64/80/35/606648035.db2.gz DKIBAMBAEJLWMJ-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM COc1ccc(C(=O)CCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821769136 606648036 /nfs/dbraw/zinc/64/80/36/606648036.db2.gz DKIBAMBAEJLWMJ-UHFFFAOYSA-N -1 1 381.392 2.367 20 0 GEADMM O=C(CCCc1nc(-c2cccs2)no1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822959314 606648305 /nfs/dbraw/zinc/64/83/05/606648305.db2.gz YDLOQQJIRWQZPR-UHFFFAOYSA-N -1 1 397.420 2.439 20 0 GEADMM O=C(CCCc1nc(-c2cccs2)no1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822959314 606648306 /nfs/dbraw/zinc/64/83/06/606648306.db2.gz YDLOQQJIRWQZPR-UHFFFAOYSA-N -1 1 397.420 2.439 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(CN2CCCCC2=O)cc1 ZINC000823436377 606649155 /nfs/dbraw/zinc/64/91/55/606649155.db2.gz SGRNZTXATQDYAQ-UHFFFAOYSA-N -1 1 392.419 2.131 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(CN2CCCCC2=O)cc1 ZINC000823436377 606649156 /nfs/dbraw/zinc/64/91/56/606649156.db2.gz SGRNZTXATQDYAQ-UHFFFAOYSA-N -1 1 392.419 2.131 20 0 GEADMM C/C=C/c1ccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000820831780 606649348 /nfs/dbraw/zinc/64/93/48/606649348.db2.gz COUMNMHKOBALKE-ONEGZZNKSA-N -1 1 381.392 2.426 20 0 GEADMM C/C=C/c1ccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000820831780 606649349 /nfs/dbraw/zinc/64/93/49/606649349.db2.gz COUMNMHKOBALKE-ONEGZZNKSA-N -1 1 381.392 2.426 20 0 GEADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820668561 606650227 /nfs/dbraw/zinc/65/02/27/606650227.db2.gz UVZXONFOMLNRJE-IAQYHMDHSA-N -1 1 378.392 2.213 20 0 GEADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820668561 606650228 /nfs/dbraw/zinc/65/02/28/606650228.db2.gz UVZXONFOMLNRJE-IAQYHMDHSA-N -1 1 378.392 2.213 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000822902425 606695311 /nfs/dbraw/zinc/69/53/11/606695311.db2.gz BPDDVHYHEYOKJZ-UHFFFAOYSA-N -1 1 386.224 2.317 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOc2ccc(F)cc21 ZINC000823600092 606713726 /nfs/dbraw/zinc/71/37/26/606713726.db2.gz CUWLDJIUIDUKEK-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM CCOc1ccc([C@@H](C)NC(=O)CCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000821418060 606727213 /nfs/dbraw/zinc/72/72/13/606727213.db2.gz VMPNMSVCAIPQOD-CYBMUJFWSA-N -1 1 396.455 2.125 20 0 GEADMM CCOc1ccc([C@@H](C)NC(=O)CCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000821418060 606727215 /nfs/dbraw/zinc/72/72/15/606727215.db2.gz VMPNMSVCAIPQOD-CYBMUJFWSA-N -1 1 396.455 2.125 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2ccc(F)cc21 ZINC000823607353 606763949 /nfs/dbraw/zinc/76/39/49/606763949.db2.gz SFERIYYDRFAMRM-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccccc1Cl ZINC000820788617 606767487 /nfs/dbraw/zinc/76/74/87/606767487.db2.gz KQUCMFTVUDOYOC-LLVKDONJSA-N -1 1 399.846 2.053 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccccc1Cl ZINC000820788617 606767489 /nfs/dbraw/zinc/76/74/89/606767489.db2.gz KQUCMFTVUDOYOC-LLVKDONJSA-N -1 1 399.846 2.053 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2cccc(CO)c2)c1-c1nn[n-]n1 ZINC000821990347 606807478 /nfs/dbraw/zinc/80/74/78/606807478.db2.gz RSAPCPKNJCUPQK-UHFFFAOYSA-N -1 1 396.476 2.283 20 0 GEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821448730 606818311 /nfs/dbraw/zinc/81/83/11/606818311.db2.gz NNMNDEJIEONGCG-VHSXEESVSA-N -1 1 394.526 2.435 20 0 GEADMM CCCCCC[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821050068 606820635 /nfs/dbraw/zinc/82/06/35/606820635.db2.gz PHBFHDYNOCWSGB-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM CCCCCC[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821050068 606820636 /nfs/dbraw/zinc/82/06/36/606820636.db2.gz PHBFHDYNOCWSGB-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM CN(c1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cs1)C1CC1 ZINC000821619263 606822105 /nfs/dbraw/zinc/82/21/05/606822105.db2.gz PLEVSUPMPWHTPC-UHFFFAOYSA-N -1 1 379.449 2.285 20 0 GEADMM CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821161483 606844098 /nfs/dbraw/zinc/84/40/98/606844098.db2.gz YMHAYQAULVVYBW-LLVKDONJSA-N -1 1 376.417 2.173 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000822535211 606855464 /nfs/dbraw/zinc/85/54/64/606855464.db2.gz JRDMERZSGBIJFS-UONOGXRCSA-N -1 1 382.424 2.200 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000822535211 606855465 /nfs/dbraw/zinc/85/54/65/606855465.db2.gz JRDMERZSGBIJFS-UONOGXRCSA-N -1 1 382.424 2.200 20 0 GEADMM CC1(C)CCc2c(sc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2C(N)=O)C1 ZINC000820602008 606869428 /nfs/dbraw/zinc/86/94/28/606869428.db2.gz YCZRULJZXNPVML-UHFFFAOYSA-N -1 1 397.464 2.189 20 0 GEADMM CC1(C)CCc2c(sc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2C(N)=O)C1 ZINC000820602008 606869430 /nfs/dbraw/zinc/86/94/30/606869430.db2.gz YCZRULJZXNPVML-UHFFFAOYSA-N -1 1 397.464 2.189 20 0 GEADMM CCc1nnc(Sc2nnc(-c3ccco3)n2C)c(-c2nn[n-]n2)c1CC ZINC000821548342 606919354 /nfs/dbraw/zinc/91/93/54/606919354.db2.gz KTLUOPZPMYCZTQ-UHFFFAOYSA-N -1 1 383.441 2.321 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c(F)cc(F)cc2C1 ZINC000823606550 607007266 /nfs/dbraw/zinc/00/72/66/607007266.db2.gz KVZPICDZFHKYPT-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c(F)cc(F)cc2C1 ZINC000823606550 607007267 /nfs/dbraw/zinc/00/72/67/607007267.db2.gz KVZPICDZFHKYPT-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM COc1ccc(-c2nc(SCc3nnc(C)o3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732247 607038191 /nfs/dbraw/zinc/03/81/91/607038191.db2.gz LZWWZUHVYGQTML-UHFFFAOYSA-N -1 1 398.408 2.022 20 0 GEADMM CC(C)(C)OC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000819946584 607048899 /nfs/dbraw/zinc/04/88/99/607048899.db2.gz OQTWDPVDAJLSMM-UHFFFAOYSA-N -1 1 399.904 2.488 20 0 GEADMM CC(C)(C)OC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000819946584 607048901 /nfs/dbraw/zinc/04/89/01/607048901.db2.gz OQTWDPVDAJLSMM-UHFFFAOYSA-N -1 1 399.904 2.488 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cncc(F)c2)c1-c1nn[n-]n1 ZINC000822486343 607092395 /nfs/dbraw/zinc/09/23/95/607092395.db2.gz HBWCAQXXPFSCHW-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822345994 607104838 /nfs/dbraw/zinc/10/48/38/607104838.db2.gz ZEQWPOUVGIKONK-CYBMUJFWSA-N -1 1 399.480 2.415 20 0 GEADMM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822345994 607104840 /nfs/dbraw/zinc/10/48/40/607104840.db2.gz ZEQWPOUVGIKONK-CYBMUJFWSA-N -1 1 399.480 2.415 20 0 GEADMM CSc1ncc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)n1-c1ccccc1 ZINC000821988540 607109486 /nfs/dbraw/zinc/10/94/86/607109486.db2.gz DZFKNFGKMCEIBB-UHFFFAOYSA-N -1 1 384.450 2.483 20 0 GEADMM CSc1ncc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)n1-c1ccccc1 ZINC000821988540 607109488 /nfs/dbraw/zinc/10/94/88/607109488.db2.gz DZFKNFGKMCEIBB-UHFFFAOYSA-N -1 1 384.450 2.483 20 0 GEADMM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccc(-c2nn[nH]n2)cc1Cl ZINC000823561301 607123424 /nfs/dbraw/zinc/12/34/24/607123424.db2.gz CLBYMNMDTJOUED-UHFFFAOYSA-N -1 1 397.819 2.480 20 0 GEADMM CC1(c2ccccc2)CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820633730 607145477 /nfs/dbraw/zinc/14/54/77/607145477.db2.gz DCXLXSMRBPVNAY-UHFFFAOYSA-N -1 1 398.492 2.441 20 0 GEADMM CC1(c2ccccc2)CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820633730 607145479 /nfs/dbraw/zinc/14/54/79/607145479.db2.gz DCXLXSMRBPVNAY-UHFFFAOYSA-N -1 1 398.492 2.441 20 0 GEADMM COc1ccc(-c2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])n[nH]2)cc1 ZINC000821727669 607157905 /nfs/dbraw/zinc/15/79/05/607157905.db2.gz LZDSMRVXNOEHJT-UHFFFAOYSA-N -1 1 377.364 2.223 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1COC1CCOCC1 ZINC000823436253 607158998 /nfs/dbraw/zinc/15/89/98/607158998.db2.gz NUZHAZHHVPRYSL-UHFFFAOYSA-N -1 1 395.419 2.314 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1COC1CCOCC1 ZINC000823436253 607159000 /nfs/dbraw/zinc/15/90/00/607159000.db2.gz NUZHAZHHVPRYSL-UHFFFAOYSA-N -1 1 395.419 2.314 20 0 GEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820957021 607159952 /nfs/dbraw/zinc/15/99/52/607159952.db2.gz MKBXERLVXPXOCJ-NWDGAFQWSA-N -1 1 392.485 2.013 20 0 GEADMM C[C@H](c1ccc2ccccc2c1)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000820562540 607210258 /nfs/dbraw/zinc/21/02/58/607210258.db2.gz GOZMWAWTUZEKSL-CYBMUJFWSA-N -1 1 388.435 2.364 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(Cl)c1SC(F)F ZINC000823136112 607213300 /nfs/dbraw/zinc/21/33/00/607213300.db2.gz KOMSPQDVPFMXCX-UHFFFAOYSA-N -1 1 386.775 2.065 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(Sc2ccccc2)c1 ZINC000823136427 607215744 /nfs/dbraw/zinc/21/57/44/607215744.db2.gz ZSHWMPVLLNIVQY-UHFFFAOYSA-N -1 1 378.421 2.248 20 0 GEADMM CCCCCN(Cc1ccc(Cl)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821055803 607218301 /nfs/dbraw/zinc/21/83/01/607218301.db2.gz GUUXOFPXTFULMH-UHFFFAOYSA-N -1 1 388.863 2.331 20 0 GEADMM CSc1nc(C)c(CCC(=O)Oc2ccc(-c3nn[nH]n3)cc2F)c(=O)[n-]1 ZINC000821988824 607246346 /nfs/dbraw/zinc/24/63/46/607246346.db2.gz HPTXFHXPXZZTNL-UHFFFAOYSA-N -1 1 390.400 2.070 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000826340944 607855991 /nfs/dbraw/zinc/85/59/91/607855991.db2.gz PTKKSYUOQAGQJK-OAHLLOKOSA-N -1 1 396.451 2.448 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000826340944 607855992 /nfs/dbraw/zinc/85/59/92/607855992.db2.gz PTKKSYUOQAGQJK-OAHLLOKOSA-N -1 1 396.451 2.448 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccnn1Cc1cccs1 ZINC000826418658 607864795 /nfs/dbraw/zinc/86/47/95/607864795.db2.gz QFLWTGDQGMQVJD-UHFFFAOYSA-N -1 1 399.411 2.330 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccnn1Cc1cccs1 ZINC000826418658 607864796 /nfs/dbraw/zinc/86/47/96/607864796.db2.gz QFLWTGDQGMQVJD-UHFFFAOYSA-N -1 1 399.411 2.330 20 0 GEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824449893 607865077 /nfs/dbraw/zinc/86/50/77/607865077.db2.gz QCQFAKDQRVNZCJ-SNVBAGLBSA-N -1 1 391.353 2.410 20 0 GEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824449893 607865078 /nfs/dbraw/zinc/86/50/78/607865078.db2.gz QCQFAKDQRVNZCJ-SNVBAGLBSA-N -1 1 391.353 2.410 20 0 GEADMM Cc1cccc(OCCCNC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826300215 607865347 /nfs/dbraw/zinc/86/53/47/607865347.db2.gz MOXLNKDARVOVSJ-UHFFFAOYSA-N -1 1 385.399 2.278 20 0 GEADMM Cc1cccc(OCCCNC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826300215 607865348 /nfs/dbraw/zinc/86/53/48/607865348.db2.gz MOXLNKDARVOVSJ-UHFFFAOYSA-N -1 1 385.399 2.278 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826291296 607866198 /nfs/dbraw/zinc/86/61/98/607866198.db2.gz YPZNNJPYRVMLEM-UHFFFAOYSA-N -1 1 384.371 2.350 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826291296 607866199 /nfs/dbraw/zinc/86/61/99/607866199.db2.gz YPZNNJPYRVMLEM-UHFFFAOYSA-N -1 1 384.371 2.350 20 0 GEADMM CCC(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825040274 607867423 /nfs/dbraw/zinc/86/74/23/607867423.db2.gz ZYYPDDLEUQWKBV-UHFFFAOYSA-N -1 1 376.369 2.366 20 0 GEADMM CCC(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825040274 607867424 /nfs/dbraw/zinc/86/74/24/607867424.db2.gz ZYYPDDLEUQWKBV-UHFFFAOYSA-N -1 1 376.369 2.366 20 0 GEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1N(C)C ZINC000826292988 607867863 /nfs/dbraw/zinc/86/78/63/607867863.db2.gz WGXJBCKRFKDKQC-UHFFFAOYSA-N -1 1 377.401 2.148 20 0 GEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1N(C)C ZINC000826292988 607867864 /nfs/dbraw/zinc/86/78/64/607867864.db2.gz WGXJBCKRFKDKQC-UHFFFAOYSA-N -1 1 377.401 2.148 20 0 GEADMM CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826004119 607879895 /nfs/dbraw/zinc/87/98/95/607879895.db2.gz JLCWMUQHNUXUFU-UHFFFAOYSA-N -1 1 393.812 2.074 20 0 GEADMM CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826004119 607879896 /nfs/dbraw/zinc/87/98/96/607879896.db2.gz JLCWMUQHNUXUFU-UHFFFAOYSA-N -1 1 393.812 2.074 20 0 GEADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825902179 607897216 /nfs/dbraw/zinc/89/72/16/607897216.db2.gz PSRIXVHODVUYDY-GFCCVEGCSA-N -1 1 394.357 2.157 20 0 GEADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825902179 607897217 /nfs/dbraw/zinc/89/72/17/607897217.db2.gz PSRIXVHODVUYDY-GFCCVEGCSA-N -1 1 394.357 2.157 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000825000460 607906083 /nfs/dbraw/zinc/90/60/83/607906083.db2.gz QUBFMHJRBJJMFZ-LSDHHAIUSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000825000460 607906084 /nfs/dbraw/zinc/90/60/84/607906084.db2.gz QUBFMHJRBJJMFZ-LSDHHAIUSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CCC1 ZINC000824640180 607906793 /nfs/dbraw/zinc/90/67/93/607906793.db2.gz CDYPICIKERAZIO-MRVPVSSYSA-N -1 1 375.376 2.352 20 0 GEADMM CN([C@@H]1CCSC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825888277 607907554 /nfs/dbraw/zinc/90/75/54/607907554.db2.gz PPGPGLRVRLYOLP-SECBINFHSA-N -1 1 393.416 2.012 20 0 GEADMM CNc1nc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)cs1 ZINC000826090322 607915229 /nfs/dbraw/zinc/91/52/29/607915229.db2.gz FZEKJORRAIHBJS-UHFFFAOYSA-N -1 1 396.436 2.216 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2c(F)cccc2C1 ZINC000826495216 607939422 /nfs/dbraw/zinc/93/94/22/607939422.db2.gz HNQPQTPFBGKEHS-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2c(F)cccc2C1 ZINC000826495216 607939423 /nfs/dbraw/zinc/93/94/23/607939423.db2.gz HNQPQTPFBGKEHS-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=C1C[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000826479168 607969067 /nfs/dbraw/zinc/96/90/67/607969067.db2.gz RYZVKUOICCWXDG-NSHDSACASA-N -1 1 389.872 2.437 20 0 GEADMM O=C1C[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC000826479168 607969068 /nfs/dbraw/zinc/96/90/68/607969068.db2.gz RYZVKUOICCWXDG-NSHDSACASA-N -1 1 389.872 2.437 20 0 GEADMM C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824391766 607971803 /nfs/dbraw/zinc/97/18/03/607971803.db2.gz KHLREMCQNCKTKF-VIFPVBQESA-N -1 1 395.441 2.007 20 0 GEADMM Cc1ccc(-c2nc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273751 607977496 /nfs/dbraw/zinc/97/74/96/607977496.db2.gz SDONEFVYIQJZDQ-UHFFFAOYSA-N -1 1 381.421 2.389 20 0 GEADMM Cc1ccc(-c2nc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273751 607977497 /nfs/dbraw/zinc/97/74/97/607977497.db2.gz SDONEFVYIQJZDQ-UHFFFAOYSA-N -1 1 381.421 2.389 20 0 GEADMM CS(=O)(=O)C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000826221960 607987032 /nfs/dbraw/zinc/98/70/32/607987032.db2.gz CDYRJBKHWROTCV-GFCCVEGCSA-N -1 1 378.845 2.113 20 0 GEADMM CS(=O)(=O)C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826221960 607987033 /nfs/dbraw/zinc/98/70/33/607987033.db2.gz CDYRJBKHWROTCV-GFCCVEGCSA-N -1 1 378.845 2.113 20 0 GEADMM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825060955 607997826 /nfs/dbraw/zinc/99/78/26/607997826.db2.gz VHXBQQWHQPRXQU-YVEFUNNKSA-N -1 1 394.435 2.356 20 0 GEADMM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826288136 607997971 /nfs/dbraw/zinc/99/79/71/607997971.db2.gz SFSJQKSOXGIXSA-MRXNPFEDSA-N -1 1 392.419 2.010 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCSc1ccc(Br)cc1 ZINC000826395143 608011713 /nfs/dbraw/zinc/01/17/13/608011713.db2.gz OMTGZBNPENIMMA-UHFFFAOYSA-N -1 1 394.258 2.231 20 0 GEADMM CCc1ccc(-c2csc(NC(=O)Cn3ccnc3-c3nnn[n-]3)n2)cc1 ZINC000825700785 608012830 /nfs/dbraw/zinc/01/28/30/608012830.db2.gz SKQKCJNTIUGXIC-UHFFFAOYSA-N -1 1 380.437 2.388 20 0 GEADMM CCc1ccc(-c2csc(NC(=O)Cn3ccnc3-c3nn[n-]n3)n2)cc1 ZINC000825700785 608012831 /nfs/dbraw/zinc/01/28/31/608012831.db2.gz SKQKCJNTIUGXIC-UHFFFAOYSA-N -1 1 380.437 2.388 20 0 GEADMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000825069182 608027610 /nfs/dbraw/zinc/02/76/10/608027610.db2.gz YZDFWRRKJKQJPG-GFCCVEGCSA-N -1 1 390.469 2.290 20 0 GEADMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000825069182 608027611 /nfs/dbraw/zinc/02/76/11/608027611.db2.gz YZDFWRRKJKQJPG-GFCCVEGCSA-N -1 1 390.469 2.290 20 0 GEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000826395101 608078324 /nfs/dbraw/zinc/07/83/24/608078324.db2.gz MSRBLNUGEWHOHR-UHFFFAOYSA-N -1 1 391.439 2.383 20 0 GEADMM CCCC[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(=O)OC ZINC000825268649 608103286 /nfs/dbraw/zinc/10/32/86/608103286.db2.gz XGGVFPRCZBTNLR-GFCCVEGCSA-N -1 1 387.396 2.447 20 0 GEADMM CCCC[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(=O)OC ZINC000825268649 608103287 /nfs/dbraw/zinc/10/32/87/608103287.db2.gz XGGVFPRCZBTNLR-GFCCVEGCSA-N -1 1 387.396 2.447 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2scnc2C2CC2)cc1-c1nn[n-]n1 ZINC000826229753 608109020 /nfs/dbraw/zinc/10/90/20/608109020.db2.gz PZGJJRWRSKVTFI-UHFFFAOYSA-N -1 1 375.439 2.275 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000826424899 608147835 /nfs/dbraw/zinc/14/78/35/608147835.db2.gz HVHJOJNODVORJO-SFHVURJKSA-N -1 1 385.431 2.238 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000826424899 608147836 /nfs/dbraw/zinc/14/78/36/608147836.db2.gz HVHJOJNODVORJO-SFHVURJKSA-N -1 1 385.431 2.238 20 0 GEADMM Cn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1-c1ccncc1 ZINC000826356253 608172663 /nfs/dbraw/zinc/17/26/63/608172663.db2.gz IGINNAJFPRXRGG-UHFFFAOYSA-N -1 1 377.846 2.318 20 0 GEADMM Cn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1-c1ccncc1 ZINC000826356253 608172665 /nfs/dbraw/zinc/17/26/65/608172665.db2.gz IGINNAJFPRXRGG-UHFFFAOYSA-N -1 1 377.846 2.318 20 0 GEADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000826010278 608183709 /nfs/dbraw/zinc/18/37/09/608183709.db2.gz GVUSCQNMIKPYHQ-JTQLQIEISA-N -1 1 375.845 2.218 20 0 GEADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000826010278 608183711 /nfs/dbraw/zinc/18/37/11/608183711.db2.gz GVUSCQNMIKPYHQ-JTQLQIEISA-N -1 1 375.845 2.218 20 0 GEADMM CN1CCO[C@H]([C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045101 608235296 /nfs/dbraw/zinc/23/52/96/608235296.db2.gz PFRJMNLIOKYXEC-RDJZCZTQSA-N -1 1 385.859 2.399 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000824974575 608245394 /nfs/dbraw/zinc/24/53/94/608245394.db2.gz BMBNAIWVMREUOE-GHMZBOCLSA-N -1 1 392.485 2.398 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000824974575 608245396 /nfs/dbraw/zinc/24/53/96/608245396.db2.gz BMBNAIWVMREUOE-GHMZBOCLSA-N -1 1 392.485 2.398 20 0 GEADMM CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824215305 608248822 /nfs/dbraw/zinc/24/88/22/608248822.db2.gz KKMUUOSNGTUARV-JQWIXIFHSA-N -1 1 385.877 2.002 20 0 GEADMM CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824215305 608248823 /nfs/dbraw/zinc/24/88/23/608248823.db2.gz KKMUUOSNGTUARV-JQWIXIFHSA-N -1 1 385.877 2.002 20 0 GEADMM CCOc1ccccc1-c1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000825654310 608278665 /nfs/dbraw/zinc/27/86/65/608278665.db2.gz WMXXFRNDVAPGDS-UHFFFAOYSA-N -1 1 375.392 2.400 20 0 GEADMM CCn1cnnc1C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000825805150 608292698 /nfs/dbraw/zinc/29/26/98/608292698.db2.gz VABSQNIMNXDXTM-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM CCn1cnnc1C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000825805150 608292699 /nfs/dbraw/zinc/29/26/99/608292699.db2.gz VABSQNIMNXDXTM-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN(C)CC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826332002 608312472 /nfs/dbraw/zinc/31/24/72/608312472.db2.gz GUZQOWHFOKDPHS-UHFFFAOYSA-N -1 1 383.456 2.134 20 0 GEADMM NC(=O)[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)Cc1ccc(F)cc1 ZINC000826389197 608378141 /nfs/dbraw/zinc/37/81/41/608378141.db2.gz RUDOBCJAIYXBOE-ZDUSSCGKSA-N -1 1 391.410 2.310 20 0 GEADMM NC(=O)[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)Cc1ccc(F)cc1 ZINC000826389197 608378143 /nfs/dbraw/zinc/37/81/43/608378143.db2.gz RUDOBCJAIYXBOE-ZDUSSCGKSA-N -1 1 391.410 2.310 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc3n[nH]cc3c(C)c2)cc1-c1nn[n-]n1 ZINC000826229467 608385434 /nfs/dbraw/zinc/38/54/34/608385434.db2.gz GAFMODOANYFEFU-UHFFFAOYSA-N -1 1 382.409 2.126 20 0 GEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1 ZINC000826164761 608392704 /nfs/dbraw/zinc/39/27/04/608392704.db2.gz PACQUCADROUPKQ-UHFFFAOYSA-N -1 1 379.829 2.467 20 0 GEADMM c1cc2c(cc1C1(CNc3ccc(-c4nnn[n-]4)nn3)CCCC1)OCCO2 ZINC000826518489 608394293 /nfs/dbraw/zinc/39/42/93/608394293.db2.gz PJXBQBAFCGNWRG-UHFFFAOYSA-N -1 1 379.424 2.352 20 0 GEADMM c1cc2c(cc1C1(CNc3ccc(-c4nn[n-]n4)nn3)CCCC1)OCCO2 ZINC000826518489 608394295 /nfs/dbraw/zinc/39/42/95/608394295.db2.gz PJXBQBAFCGNWRG-UHFFFAOYSA-N -1 1 379.424 2.352 20 0 GEADMM Fc1ccc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)nc1 ZINC000826375461 608414065 /nfs/dbraw/zinc/41/40/65/608414065.db2.gz OKUZXWMAOAWAMV-UHFFFAOYSA-N -1 1 376.399 2.276 20 0 GEADMM Fc1ccc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)nc1 ZINC000826375461 608414067 /nfs/dbraw/zinc/41/40/67/608414067.db2.gz OKUZXWMAOAWAMV-UHFFFAOYSA-N -1 1 376.399 2.276 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826368473 608418034 /nfs/dbraw/zinc/41/80/34/608418034.db2.gz QPQOUCNEWOCWOV-JTQLQIEISA-N -1 1 392.345 2.246 20 0 GEADMM FC(F)(F)Oc1cccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826368473 608418035 /nfs/dbraw/zinc/41/80/35/608418035.db2.gz QPQOUCNEWOCWOV-JTQLQIEISA-N -1 1 392.345 2.246 20 0 GEADMM c1coc(Cn2c(Sc3ccc(-c4nnn[n-]4)nn3)nnc2-c2ccco2)c1 ZINC000826525945 608435039 /nfs/dbraw/zinc/43/50/39/608435039.db2.gz FOGMAPKKWZKTHI-UHFFFAOYSA-N -1 1 393.392 2.301 20 0 GEADMM c1coc(Cn2c(Sc3ccc(-c4nn[n-]n4)nn3)nnc2-c2ccco2)c1 ZINC000826525945 608435041 /nfs/dbraw/zinc/43/50/41/608435041.db2.gz FOGMAPKKWZKTHI-UHFFFAOYSA-N -1 1 393.392 2.301 20 0 GEADMM Cc1ccc(S(=O)(=O)CCCOC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000826292968 608446720 /nfs/dbraw/zinc/44/67/20/608446720.db2.gz VGIWXAOVVANHGV-UHFFFAOYSA-N -1 1 392.462 2.257 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)CC2CCOCC2)c1-c1nn[n-]n1 ZINC000826231758 608450116 /nfs/dbraw/zinc/45/01/16/608450116.db2.gz YLJXGYDRVPIEDT-UHFFFAOYSA-N -1 1 388.497 2.360 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000826280468 608544285 /nfs/dbraw/zinc/54/42/85/608544285.db2.gz CSIBUGFYMVXMNH-UHFFFAOYSA-N -1 1 394.435 2.459 20 0 GEADMM CC(C)(COc1ncccc1Br)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824162452 608552026 /nfs/dbraw/zinc/55/20/26/608552026.db2.gz IHMNMIJZLRSDTM-UHFFFAOYSA-N -1 1 391.233 2.084 20 0 GEADMM CC(C)(COc1ncccc1Br)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824162452 608552028 /nfs/dbraw/zinc/55/20/28/608552028.db2.gz IHMNMIJZLRSDTM-UHFFFAOYSA-N -1 1 391.233 2.084 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C[C@@H]1O ZINC000824976424 608592109 /nfs/dbraw/zinc/59/21/09/608592109.db2.gz OSMDNYORSFXLNZ-NHYWBVRUSA-N -1 1 383.383 2.251 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C[C@@H]1O ZINC000824976424 608592110 /nfs/dbraw/zinc/59/21/10/608592110.db2.gz OSMDNYORSFXLNZ-NHYWBVRUSA-N -1 1 383.383 2.251 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C[C@H]1O ZINC000824976420 608592274 /nfs/dbraw/zinc/59/22/74/608592274.db2.gz OSMDNYORSFXLNZ-IAQYHMDHSA-N -1 1 383.383 2.251 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C[C@H]1O ZINC000824976420 608592276 /nfs/dbraw/zinc/59/22/76/608592276.db2.gz OSMDNYORSFXLNZ-IAQYHMDHSA-N -1 1 383.383 2.251 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCc1cccs1 ZINC000826232766 608765297 /nfs/dbraw/zinc/76/52/97/608765297.db2.gz HSTKQUXUEXTWBA-UHFFFAOYSA-N -1 1 386.481 2.327 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000826424873 608890883 /nfs/dbraw/zinc/89/08/83/608890883.db2.gz HFGVVPMVDVYGAU-UHFFFAOYSA-N -1 1 386.419 2.396 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000826424873 608890885 /nfs/dbraw/zinc/89/08/85/608890885.db2.gz HFGVVPMVDVYGAU-UHFFFAOYSA-N -1 1 386.419 2.396 20 0 GEADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)ccc2[nH]1 ZINC000825694112 609156034 /nfs/dbraw/zinc/15/60/34/609156034.db2.gz KLGGWAZTODCYDB-UHFFFAOYSA-N -1 1 396.432 2.071 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000825930663 609159689 /nfs/dbraw/zinc/15/96/89/609159689.db2.gz VZNOSYHKWABNNU-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000825930663 609159691 /nfs/dbraw/zinc/15/96/91/609159691.db2.gz VZNOSYHKWABNNU-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CC(C)n1nccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824377501 609288246 /nfs/dbraw/zinc/28/82/46/609288246.db2.gz GJEQUWDHLKDUQL-UHFFFAOYSA-N -1 1 381.375 2.221 20 0 GEADMM C[C@H]1CC[C@H](CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000824908899 609288712 /nfs/dbraw/zinc/28/87/12/609288712.db2.gz RIGPFBQTEVNTSK-NWDGAFQWSA-N -1 1 385.403 2.478 20 0 GEADMM O=C(CSC(F)(F)F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826419670 609291336 /nfs/dbraw/zinc/29/13/36/609291336.db2.gz HBRLTKWBCRPDLB-UHFFFAOYSA-N -1 1 387.322 2.383 20 0 GEADMM O=C(C=Cc1cccnc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403350 609291377 /nfs/dbraw/zinc/29/13/77/609291377.db2.gz PTRUEDUJXVDRAJ-SREVYHEPSA-N -1 1 376.355 2.238 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2c(c1)COC2 ZINC000826458377 609293598 /nfs/dbraw/zinc/29/35/98/609293598.db2.gz NIWYYNMLRBILFU-UHFFFAOYSA-N -1 1 391.366 2.474 20 0 GEADMM O[C@@H](CN(Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826503092 609296509 /nfs/dbraw/zinc/29/65/09/609296509.db2.gz QIFZXHPOMXEDHI-HNNXBMFYSA-N -1 1 378.358 2.187 20 0 GEADMM O=C(c1ccc([O-])cc1F)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826472992 609298877 /nfs/dbraw/zinc/29/88/77/609298877.db2.gz GDKKUAGIHBOJCQ-UHFFFAOYSA-N -1 1 382.399 2.064 20 0 GEADMM O=C(CNc1ccccc1Oc1ncccc1-c1nn[n-]n1)NCC1CCC1 ZINC000826414360 609312164 /nfs/dbraw/zinc/31/21/64/609312164.db2.gz RXQKFAHHSFGGBG-UHFFFAOYSA-N -1 1 379.424 2.382 20 0 GEADMM Cc1noc(C2(C)CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000826339462 609315597 /nfs/dbraw/zinc/31/55/97/609315597.db2.gz FPXIICMJKNANMG-UHFFFAOYSA-N -1 1 377.412 2.059 20 0 GEADMM Cc1noc(C2(C)CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000826339462 609315599 /nfs/dbraw/zinc/31/55/99/609315599.db2.gz FPXIICMJKNANMG-UHFFFAOYSA-N -1 1 377.412 2.059 20 0 GEADMM C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCS1 ZINC000824974540 609355262 /nfs/dbraw/zinc/35/52/62/609355262.db2.gz ASPZGJUDSNOPHT-SNVBAGLBSA-N -1 1 388.432 2.161 20 0 GEADMM CC(C)OCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824314538 609362173 /nfs/dbraw/zinc/36/21/73/609362173.db2.gz DRTANQNFYFFNGV-UHFFFAOYSA-N -1 1 388.407 2.128 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](CO)c1ccccc1 ZINC000826340600 609397165 /nfs/dbraw/zinc/39/71/65/609397165.db2.gz DOWJRMAWRVNTPH-CQSZACIVSA-N -1 1 378.392 2.022 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](CO)c1ccccc1 ZINC000826340600 609397166 /nfs/dbraw/zinc/39/71/66/609397166.db2.gz DOWJRMAWRVNTPH-CQSZACIVSA-N -1 1 378.392 2.022 20 0 GEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824507159 609455999 /nfs/dbraw/zinc/45/59/99/609455999.db2.gz VBODQYMVAPTCRS-MNOVXSKESA-N -1 1 392.485 2.304 20 0 GEADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824507159 609456001 /nfs/dbraw/zinc/45/60/01/609456001.db2.gz VBODQYMVAPTCRS-MNOVXSKESA-N -1 1 392.485 2.304 20 0 GEADMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826462241 609525307 /nfs/dbraw/zinc/52/53/07/609525307.db2.gz SDYANWPIYCIOIO-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM Cc1nc2c(s1)[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CCC2 ZINC000826328373 609580873 /nfs/dbraw/zinc/58/08/73/609580873.db2.gz OXPZKEUCJKQGIC-LBPRGKRZSA-N -1 1 394.457 2.127 20 0 GEADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC(C)(C)C1 ZINC000824865123 609592687 /nfs/dbraw/zinc/59/26/87/609592687.db2.gz HEMBKFSPTVGIFL-ILXRZTDVSA-N -1 1 398.515 2.156 20 0 GEADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC(C)(C)C1 ZINC000824865123 609592689 /nfs/dbraw/zinc/59/26/89/609592689.db2.gz HEMBKFSPTVGIFL-ILXRZTDVSA-N -1 1 398.515 2.156 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826231689 609599990 /nfs/dbraw/zinc/59/99/90/609599990.db2.gz VVOGGLJNJINZAT-ZYHUDNBSSA-N -1 1 388.497 2.406 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CC=CCC1 ZINC000826327920 609608523 /nfs/dbraw/zinc/60/85/23/609608523.db2.gz ZPGVTTWQVQLYNM-HNNXBMFYSA-N -1 1 394.483 2.274 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CC=CCC1 ZINC000826327920 609608526 /nfs/dbraw/zinc/60/85/26/609608526.db2.gz ZPGVTTWQVQLYNM-HNNXBMFYSA-N -1 1 394.483 2.274 20 0 GEADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)[nH]n2)o1 ZINC000446629258 649985186 /nfs/dbraw/zinc/98/51/86/649985186.db2.gz SXYUDHBNVBTVJJ-UHFFFAOYSA-N -1 1 381.435 2.182 20 0 GEADMM C[C@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447496957 650006952 /nfs/dbraw/zinc/00/69/52/650006952.db2.gz HWBARYGGQYNBFJ-MRVPVSSYSA-N -1 1 379.335 2.057 20 0 GEADMM C[C@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447496957 650006954 /nfs/dbraw/zinc/00/69/54/650006954.db2.gz HWBARYGGQYNBFJ-MRVPVSSYSA-N -1 1 379.335 2.057 20 0 GEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)C1CN(CC(F)(F)F)C1 ZINC000450702337 650069441 /nfs/dbraw/zinc/06/94/41/650069441.db2.gz ZHGKZULTLPTFAX-UHFFFAOYSA-N -1 1 375.738 2.263 20 0 GEADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)C1CN(CC(F)(F)F)C1 ZINC000450702337 650069444 /nfs/dbraw/zinc/06/94/44/650069444.db2.gz ZHGKZULTLPTFAX-UHFFFAOYSA-N -1 1 375.738 2.263 20 0 GEADMM COC(=O)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000450980826 650077841 /nfs/dbraw/zinc/07/78/41/650077841.db2.gz GSORFADGQDOCHX-UHFFFAOYSA-N -1 1 384.237 2.012 20 0 GEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000451115185 650088227 /nfs/dbraw/zinc/08/82/27/650088227.db2.gz MTZGURQTUYODJF-UHFFFAOYSA-N -1 1 376.360 2.452 20 0 GEADMM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000451116710 650088526 /nfs/dbraw/zinc/08/85/26/650088526.db2.gz RKBAEQYGIFKCGK-UHFFFAOYSA-N -1 1 383.447 2.151 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CC2CC2)c(F)c1 ZINC000451182201 650094139 /nfs/dbraw/zinc/09/41/39/650094139.db2.gz HHWWKOVDKUJRGR-NSHDSACASA-N -1 1 378.491 2.444 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnccc1C)c1ccc(OC)c(Cl)c1 ZINC000451421089 650112672 /nfs/dbraw/zinc/11/26/72/650112672.db2.gz RPFQCRWUTNXWST-OAHLLOKOSA-N -1 1 384.841 2.245 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(F)F)CC2)c(F)c1 ZINC000451505231 650121619 /nfs/dbraw/zinc/12/16/19/650121619.db2.gz UDNNCNHQJJJXOW-UHFFFAOYSA-N -1 1 386.417 2.053 20 0 GEADMM CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000452891540 650200518 /nfs/dbraw/zinc/20/05/18/650200518.db2.gz VOAVHFDWBBAYRY-GWCFXTLKSA-N -1 1 395.308 2.155 20 0 GEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nnc(C(C)C)s3)n2)cc1 ZINC000453035307 650204838 /nfs/dbraw/zinc/20/48/38/650204838.db2.gz ZFXVIYDBIXJOAI-UHFFFAOYSA-N -1 1 379.467 2.429 20 0 GEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3nnc(C(C)C)s3)n[n-]2)cc1 ZINC000453035307 650204842 /nfs/dbraw/zinc/20/48/42/650204842.db2.gz ZFXVIYDBIXJOAI-UHFFFAOYSA-N -1 1 379.467 2.429 20 0 GEADMM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000456180837 650332894 /nfs/dbraw/zinc/33/28/94/650332894.db2.gz CUMCEZQRNRSXTA-LLVKDONJSA-N -1 1 376.272 2.194 20 0 GEADMM O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1cncc([O-])c1 ZINC000456726917 650359818 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O=C(NCCO[C@H]1CCCCO1)c1cc(I)ccc1[O-] ZINC000597679482 652787885 /nfs/dbraw/zinc/78/78/85/652787885.db2.gz YNWOVGJWHIUEBS-ZDUSSCGKSA-N -1 1 391.205 2.270 20 0 GEADMM CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000597837018 652791439 /nfs/dbraw/zinc/79/14/39/652791439.db2.gz VFFSNFYFPOXFMP-GFCCVEGCSA-N -1 1 386.242 2.337 20 0 GEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)O[C@@H]1CCN(c2ccccc2)C1=O ZINC000764521708 652803947 /nfs/dbraw/zinc/80/39/47/652803947.db2.gz OIPFCHKNJHZUKS-CYBMUJFWSA-N -1 1 380.447 2.082 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)C[C@H](C)C1O ZINC000598189065 652804548 /nfs/dbraw/zinc/80/45/48/652804548.db2.gz PPBRCSHSXCYVQF-IUCAKERBSA-N -1 1 375.206 2.086 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(CCC3)CC2)c(F)c1 ZINC000671700087 652809820 /nfs/dbraw/zinc/80/98/20/652809820.db2.gz QNDJDLLTNZHHJX-UHFFFAOYSA-N -1 1 376.475 2.152 20 0 GEADMM Cc1cc(SCC(=O)OCc2nc(=O)n(C)[n-]2)c(C)cc1Br ZINC000765393344 652838087 /nfs/dbraw/zinc/83/80/87/652838087.db2.gz 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CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(F)F)CCCC2)c(F)c1 ZINC000673586172 652871969 /nfs/dbraw/zinc/87/19/69/652871969.db2.gz BBGBLAAPXKKEST-UHFFFAOYSA-N -1 1 386.417 2.053 20 0 GEADMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000599455655 652872781 /nfs/dbraw/zinc/87/27/81/652872781.db2.gz FAZWWOJKDFDGBL-NHYWBVRUSA-N -1 1 393.864 2.257 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)cc2[nH]ncc21 ZINC000766329955 652876390 /nfs/dbraw/zinc/87/63/90/652876390.db2.gz RCUVZEDIUKQKLY-UHFFFAOYSA-N -1 1 383.426 2.215 20 0 GEADMM NC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(F)cc1 ZINC000766554703 652886462 /nfs/dbraw/zinc/88/64/62/652886462.db2.gz CJICQAUUUPEWHT-SNVBAGLBSA-N -1 1 378.212 2.032 20 0 GEADMM NC(=O)C1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCCC1 ZINC000767262745 652916945 /nfs/dbraw/zinc/91/69/45/652916945.db2.gz XLGTXDQHFCBKSL-UHFFFAOYSA-N -1 1 399.669 2.318 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@H](CCF)C1 ZINC000600496951 652919806 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GEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3c(Cl)nc4ccccn43)no2)co1 ZINC000771340820 653104908 /nfs/dbraw/zinc/10/49/08/653104908.db2.gz QBIOIWMTUBBRFH-UHFFFAOYSA-N -1 1 379.785 2.206 20 0 GEADMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000771576739 653116973 /nfs/dbraw/zinc/11/69/73/653116973.db2.gz UZJGQMAZZQDKTP-RKDXNWHRSA-N -1 1 388.287 2.436 20 0 GEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1nncn1-c1ccccc1 ZINC000768606833 653120772 /nfs/dbraw/zinc/12/07/72/653120772.db2.gz KAZITUUBESWHFC-UHFFFAOYSA-N -1 1 378.435 2.057 20 0 GEADMM CSc1nc(CNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc(=O)[n-]1 ZINC000640656243 653134916 /nfs/dbraw/zinc/13/49/16/653134916.db2.gz WCFYBRMEJYCQTI-UHFFFAOYSA-N -1 1 395.794 2.398 20 0 GEADMM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000769192111 653145434 /nfs/dbraw/zinc/14/54/34/653145434.db2.gz YMWKNHJVUPMYNA-CQSZACIVSA-N -1 1 387.933 2.282 20 0 GEADMM CCCCCCn1cc(S(=O)(=O)[N-]CCc2cccs2)c(=O)[nH]c1=O ZINC000772638198 653157278 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2.411 20 0 GEADMM CN1Cc2ccccc2[C@H]1C[N-]S(=O)(=O)c1ncccc1Br ZINC000867795689 653988050 /nfs/dbraw/zinc/98/80/50/653988050.db2.gz WVTGBCBNIPOPPR-CQSZACIVSA-N -1 1 382.283 2.309 20 0 GEADMM COC(=O)N1CCC(C[N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000796169740 653988974 /nfs/dbraw/zinc/98/89/74/653988974.db2.gz HUWQGMBEKNGXFG-UHFFFAOYSA-N -1 1 397.316 2.267 20 0 GEADMM CC[C@@H]1C(=O)NCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000886504715 653990027 /nfs/dbraw/zinc/99/00/27/653990027.db2.gz QIGJZLSBMOFUMO-GFCCVEGCSA-N -1 1 392.253 2.444 20 0 GEADMM CCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2F)cc1 ZINC000848768425 653995448 /nfs/dbraw/zinc/99/54/48/653995448.db2.gz BLWBOYDBJGTAGJ-UHFFFAOYSA-N -1 1 387.458 2.052 20 0 GEADMM O=C(N[C@H]1CCS(=O)(=O)C2(CCC2)C1)c1ccc(Br)cc1[O-] ZINC000886775336 653999708 /nfs/dbraw/zinc/99/97/08/653999708.db2.gz HDXQDGSSXAVYGD-NSHDSACASA-N -1 1 388.283 2.384 20 0 GEADMM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCCC2 ZINC000797069617 654017184 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CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000849424203 654031182 /nfs/dbraw/zinc/03/11/82/654031182.db2.gz WTGHFWGHEYLSHL-UHFFFAOYSA-N -1 1 396.351 2.347 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cnccc2C)c(F)cc1Cl ZINC000849426743 654032153 /nfs/dbraw/zinc/03/21/53/654032153.db2.gz YKYRRWZWGXUHSC-UHFFFAOYSA-N -1 1 386.832 2.490 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCS[C@@H]2C)c(Br)o1 ZINC000828374796 654034207 /nfs/dbraw/zinc/03/42/07/654034207.db2.gz XUBUUBREHYZKRJ-RNFRBKRXSA-N -1 1 384.273 2.001 20 0 GEADMM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000797747498 654040091 /nfs/dbraw/zinc/04/00/91/654040091.db2.gz CDMVEINOZBOHGM-UHFFFAOYSA-N -1 1 383.191 2.496 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)c(Br)o1 ZINC000849461503 654041159 /nfs/dbraw/zinc/04/11/59/654041159.db2.gz ZDCYWWUCIIKANW-DTWKUNHWSA-N -1 1 396.259 2.065 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c(F)cc1Cl ZINC000849469848 654043947 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CC1(C)C[C@@H](NC(=O)c2ccc(Br)cc2[O-])CCS1(=O)=O ZINC000888386548 654080370 /nfs/dbraw/zinc/08/03/70/654080370.db2.gz BEKDEGMYRUOBKR-JTQLQIEISA-N -1 1 376.272 2.240 20 0 GEADMM Cn1ncc(Br)c1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798957932 654081904 /nfs/dbraw/zinc/08/19/04/654081904.db2.gz JSCNGCJBZLAGOM-UHFFFAOYSA-N -1 1 383.212 2.073 20 0 GEADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCC2 ZINC000916174273 654086521 /nfs/dbraw/zinc/08/65/21/654086521.db2.gz DPKBLKKBNCYVHN-UHFFFAOYSA-N -1 1 398.282 2.478 20 0 GEADMM O=C(Nc1ccnn1[C@@H]1CCOC1)c1ccc(I)c([O-])c1 ZINC000888592828 654094388 /nfs/dbraw/zinc/09/43/88/654094388.db2.gz JRGONKKSAKJREH-SNVBAGLBSA-N -1 1 399.188 2.407 20 0 GEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)s1 ZINC000916494626 654097163 /nfs/dbraw/zinc/09/71/63/654097163.db2.gz RKKWZYFXYDEWIE-SSDOTTSWSA-N -1 1 392.405 2.256 20 0 GEADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c1 ZINC000830200756 654105572 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CCC[C@@H](CCO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000918522500 654153521 /nfs/dbraw/zinc/15/35/21/654153521.db2.gz XHRDVJSXPSQIEL-VIFPVBQESA-N -1 1 384.267 2.426 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c(C2CCCC2)n1 ZINC000901895368 654153695 /nfs/dbraw/zinc/15/36/95/654153695.db2.gz LNQPNXDIHAUSNI-UHFFFAOYSA-N -1 1 381.420 2.468 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c(Cl)n1 ZINC000800838912 654160000 /nfs/dbraw/zinc/16/00/00/654160000.db2.gz SFCFVXLRRDICSQ-UHFFFAOYSA-N -1 1 393.849 2.355 20 0 GEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(F)c(Cl)c(C(=O)OC)c2)CC1 ZINC000901990192 654160625 /nfs/dbraw/zinc/16/06/25/654160625.db2.gz OWHKZSJMEYXTPJ-UHFFFAOYSA-N -1 1 393.820 2.493 20 0 GEADMM CO[C@H]1CCN(Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C(=O)[O-])C1 ZINC000902031305 654162871 /nfs/dbraw/zinc/16/28/71/654162871.db2.gz DPQHGWFEVRIQJH-WCQYABFASA-N -1 1 386.242 2.284 20 0 GEADMM C[C@@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)[C@H]1OCCc2sccc21 ZINC000831125941 654165949 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O=C([O-])[C@@H]1CCN(C(=O)CCc2c[nH]nn2)c2ccc(Br)cc21 ZINC000902333705 654175199 /nfs/dbraw/zinc/17/51/99/654175199.db2.gz YGULHCSZIZTWQZ-LLVKDONJSA-N -1 1 379.214 2.105 20 0 GEADMM O=C([O-])[C@@H]1CCN(C(=O)CCc2cnn[nH]2)c2ccc(Br)cc21 ZINC000902333705 654175204 /nfs/dbraw/zinc/17/52/04/654175204.db2.gz YGULHCSZIZTWQZ-LLVKDONJSA-N -1 1 379.214 2.105 20 0 GEADMM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(I)c([O-])c1 ZINC000870482964 654177963 /nfs/dbraw/zinc/17/79/63/654177963.db2.gz LPAKOEULAUNCTL-YHMRHEDISA-N -1 1 385.201 2.150 20 0 GEADMM CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F ZINC000919780349 654192066 /nfs/dbraw/zinc/19/20/66/654192066.db2.gz IEXCJMSALRXWRS-NSHDSACASA-N -1 1 395.321 2.450 20 0 GEADMM CC(C)(C)OC(=O)N1CCC2(C[C@H]2[N-]S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC000831606047 654193860 /nfs/dbraw/zinc/19/38/60/654193860.db2.gz JUHUQBDCORIYDN-LLVKDONJSA-N -1 1 390.893 2.131 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCO[C@@H](C(F)F)C1 ZINC000801424939 654194888 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CC1(C)CC(=O)NCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000913061510 654780789 /nfs/dbraw/zinc/78/07/89/654780789.db2.gz QKODRMFKZORFFM-UHFFFAOYSA-N -1 1 392.253 2.444 20 0 GEADMM O=C(c1cnc(-c2ccccc2Cl)s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494893 654795571 /nfs/dbraw/zinc/79/55/71/654795571.db2.gz NCOSLBCACSLDQQ-LLVKDONJSA-N -1 1 376.829 2.190 20 0 GEADMM O=C(c1ccc2cc(Br)ccc2c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495622 654796114 /nfs/dbraw/zinc/79/61/14/654796114.db2.gz MDMLMYVYSAGVIE-CQSZACIVSA-N -1 1 388.225 2.329 20 0 GEADMM O=C(c1cc2cc(Br)ccc2s1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913500497 654796652 /nfs/dbraw/zinc/79/66/52/654796652.db2.gz YORWUSPFDLUVNX-JTQLQIEISA-N -1 1 394.254 2.391 20 0 GEADMM COc1ccc(CCC(=O)N2CCC(c3nn[n-]n3)CC2)c(Br)c1 ZINC000913745443 654807415 /nfs/dbraw/zinc/80/74/15/654807415.db2.gz FCTNGYHNPLWBOH-UHFFFAOYSA-N -1 1 394.273 2.310 20 0 GEADMM O=C(c1ccc(Cn2cc(Cl)cn2)s1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745407 654807588 /nfs/dbraw/zinc/80/75/88/654807588.db2.gz 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/nfs/dbraw/zinc/70/40/04/531704004.db2.gz UMWYFVZHPJANBO-UHFFFAOYSA-N -1 1 383.447 2.052 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ncccc2F)C1)c1cc(F)c(F)cc1F ZINC000157445205 531742086 /nfs/dbraw/zinc/74/20/86/531742086.db2.gz VBTCUAGQLGQUGN-VIFPVBQESA-N -1 1 375.347 2.195 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C3CC3)CCC2)c(F)c1 ZINC000157408622 531743004 /nfs/dbraw/zinc/74/30/04/531743004.db2.gz CNMXXTLKUJUHSP-UHFFFAOYSA-N -1 1 376.475 2.056 20 0 GEADMM O=C1C[C@H](Cc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)C(=O)N1 ZINC000158287280 531774130 /nfs/dbraw/zinc/77/41/30/531774130.db2.gz LKQSXSFDOJAQNX-LBPRGKRZSA-N -1 1 378.837 2.346 20 0 GEADMM Cc1cc(Br)cc2cc(C(=O)NCCCc3nc(=O)[n-][nH]3)oc21 ZINC000158302915 531775615 /nfs/dbraw/zinc/77/56/15/531775615.db2.gz KLONYPZOTGFYAE-UHFFFAOYSA-N -1 1 379.214 2.278 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2nccs2)c1 ZINC000055158740 531783826 /nfs/dbraw/zinc/78/38/26/531783826.db2.gz BUWVOVHFLLLGFH-UHFFFAOYSA-N -1 1 383.495 2.451 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000164809901 531868739 /nfs/dbraw/zinc/86/87/39/531868739.db2.gz FLCYZCOTOGBXPA-UHFFFAOYSA-N -1 1 386.470 2.460 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCC(n2ccnn2)CC1 ZINC000163330859 531857163 /nfs/dbraw/zinc/85/71/63/531857163.db2.gz QDQNOEGBHFSRBQ-UHFFFAOYSA-N -1 1 398.204 2.066 20 0 GEADMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000171421129 531906874 /nfs/dbraw/zinc/90/68/74/531906874.db2.gz FQSJHRGKRGRYPE-MRVPVSSYSA-N -1 1 397.241 2.017 20 0 GEADMM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc(I)ccc1[O-] ZINC000172358325 531949684 /nfs/dbraw/zinc/94/96/84/531949684.db2.gz FFTBMWWMLZURGF-SNVBAGLBSA-N -1 1 383.189 2.007 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000173024167 531980718 /nfs/dbraw/zinc/98/07/18/531980718.db2.gz SZSCSFFXGFFSCH-VIFPVBQESA-N -1 1 395.269 2.490 20 0 GEADMM C[C@@H](CO)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000120708153 531990393 /nfs/dbraw/zinc/99/03/93/531990393.db2.gz QBUWTDQIZHGYRC-GFCCVEGCSA-N -1 1 382.869 2.499 20 0 GEADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)on1 ZINC000173492769 532014856 /nfs/dbraw/zinc/01/48/56/532014856.db2.gz DHCSPNMJCMEBDG-UHFFFAOYSA-N -1 1 386.495 2.460 20 0 GEADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2sccc2Br)C[C@@H](C)O1 ZINC000121181199 532016744 /nfs/dbraw/zinc/01/67/44/532016744.db2.gz XFKQXLOWHZDEBU-GHMZBOCLSA-N -1 1 397.360 2.288 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1F ZINC000121205542 532018373 /nfs/dbraw/zinc/01/83/73/532018373.db2.gz UJBCRIVMTJTKGV-UHFFFAOYSA-N -1 1 387.458 2.411 20 0 GEADMM CN1C(=O)C[C@@H](C(=O)Nc2nc(Br)ccc2[O-])[C@@H]1c1cccnc1 ZINC000121554066 532034212 /nfs/dbraw/zinc/03/42/12/532034212.db2.gz KJDBYGSILNHNHJ-YGRLFVJLSA-N -1 1 391.225 2.103 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CN2CCCC[C@@H]2CO1)c1sccc1Br ZINC000122473957 532072031 /nfs/dbraw/zinc/07/20/31/532072031.db2.gz GCDOVCAAOMQOBC-GHMZBOCLSA-N -1 1 395.344 2.042 20 0 GEADMM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1cccc(Br)c1 ZINC000122935325 532087192 /nfs/dbraw/zinc/08/71/92/532087192.db2.gz QDDXUIAFBDAOMW-UHFFFAOYSA-N -1 1 394.254 2.354 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)o1 ZINC000124663342 532127950 /nfs/dbraw/zinc/12/79/50/532127950.db2.gz XXTPSPBOJQWJBA-ZDUSSCGKSA-N -1 1 384.841 2.135 20 0 GEADMM Cc1cccc2c1CCN2S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000125241368 532134015 /nfs/dbraw/zinc/13/40/15/532134015.db2.gz LECBAIUNPMITKO-UHFFFAOYSA-N -1 1 384.454 2.257 20 0 GEADMM C[NH+](C)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000125537519 532137375 /nfs/dbraw/zinc/13/73/75/532137375.db2.gz PPXGFBDQQVHBBD-UHFFFAOYSA-N -1 1 381.885 2.432 20 0 GEADMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000126515916 532149992 /nfs/dbraw/zinc/14/99/92/532149992.db2.gz NWUSVZAUNOCHFT-SECBINFHSA-N -1 1 399.822 2.441 20 0 GEADMM O=C(Cc1cccc(F)c1)NCCNC(=O)c1ccc(Br)cc1[O-] ZINC000133253960 532229845 /nfs/dbraw/zinc/22/98/45/532229845.db2.gz XHZPBZVHJZZKIR-UHFFFAOYSA-N -1 1 395.228 2.383 20 0 GEADMM O=S(=O)([N-]C[C@H](O)COc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000132783336 532220566 /nfs/dbraw/zinc/22/05/66/532220566.db2.gz QXGFOOKRFRAKSI-NSHDSACASA-N -1 1 377.796 2.336 20 0 GEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000134038331 532249077 /nfs/dbraw/zinc/24/90/77/532249077.db2.gz BDESFVVCRRSEQN-UHFFFAOYSA-N -1 1 378.307 2.258 20 0 GEADMM Cc1nc([C@@H]([N-]S(=O)(=O)c2cn(C)c(C)n2)c2ccc(Cl)cc2)no1 ZINC000179990315 532253042 /nfs/dbraw/zinc/25/30/42/532253042.db2.gz BOGWIKIKRIOOTM-AWEZNQCLSA-N -1 1 381.845 2.141 20 0 GEADMM CN(C)C1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000134942644 532265096 /nfs/dbraw/zinc/26/50/96/532265096.db2.gz NKTMIVYURPBMEK-UHFFFAOYSA-N -1 1 378.064 2.303 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1Cl ZINC000180737486 532279085 /nfs/dbraw/zinc/27/90/85/532279085.db2.gz UMEFXFGGEUNGDE-NWDGAFQWSA-N -1 1 377.800 2.160 20 0 GEADMM Cc1ccc(Br)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000181029833 532289059 /nfs/dbraw/zinc/28/90/59/532289059.db2.gz MZDFLPGIIBIYLZ-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM O=C1CCC(=O)N1CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151161807 532307700 /nfs/dbraw/zinc/30/77/00/532307700.db2.gz GIFVNJSXELBATG-UHFFFAOYSA-N -1 1 398.790 2.176 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2nc(-c3nc[nH]n3)no2)c1 ZINC000182933547 532319434 /nfs/dbraw/zinc/31/94/34/532319434.db2.gz MKTZZCUSYGZVBX-UHFFFAOYSA-N -1 1 393.201 2.203 20 0 GEADMM CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000185052471 532336657 /nfs/dbraw/zinc/33/66/57/532336657.db2.gz WLEPGKQBJGKYSF-UHFFFAOYSA-N -1 1 386.857 2.384 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)N1CCC(C)CC1 ZINC000184965623 532336337 /nfs/dbraw/zinc/33/63/37/532336337.db2.gz WWBNUTFMLALMNQ-LLVKDONJSA-N -1 1 376.425 2.062 20 0 GEADMM O=C(c1ccc([O-])cc1F)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000188658551 532349065 /nfs/dbraw/zinc/34/90/65/532349065.db2.gz KIKZPCAHRBWNQU-UHFFFAOYSA-N -1 1 376.335 2.364 20 0 GEADMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190858900 532358399 /nfs/dbraw/zinc/35/83/99/532358399.db2.gz LETHIXWNOXPACH-ZCFIWIBFSA-N -1 1 388.642 2.329 20 0 GEADMM C[C@H](O)C1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000191914838 532373183 /nfs/dbraw/zinc/37/31/83/532373183.db2.gz FBOSCQVQBIMKDH-VIFPVBQESA-N -1 1 375.206 2.230 20 0 GEADMM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CC2 ZINC000191926037 532375180 /nfs/dbraw/zinc/37/51/80/532375180.db2.gz VFNSZBAHSNEDHU-MRVPVSSYSA-N -1 1 379.244 2.326 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(F)(F)F)cc1)C(C)C ZINC000647123510 532369066 /nfs/dbraw/zinc/36/90/66/532369066.db2.gz AXINIZNOWAPTBX-CYBMUJFWSA-N -1 1 382.404 2.391 20 0 GEADMM COc1cc(Br)c(/C=C/c2cc(=O)n3[n-]cnc3n2)cc1OC ZINC000515589261 532369943 /nfs/dbraw/zinc/36/99/43/532369943.db2.gz SPLHBTDGIUTXHA-ONEGZZNKSA-N -1 1 377.198 2.368 20 0 GEADMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)s1 ZINC000677942758 532386966 /nfs/dbraw/zinc/38/69/66/532386966.db2.gz SBLRKMWDPJKNJS-HYXAFXHYSA-N -1 1 382.448 2.263 20 0 GEADMM CCC[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nn[n-]n1 ZINC000295086751 532402882 /nfs/dbraw/zinc/40/28/82/532402882.db2.gz VZLNNMNLCVZFAW-LBPRGKRZSA-N -1 1 390.245 2.419 20 0 GEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2OC)CC1 ZINC000591257932 532403280 /nfs/dbraw/zinc/40/32/80/532403280.db2.gz LNWPGTQVPVXPCG-UHFFFAOYSA-N -1 1 382.360 2.337 20 0 GEADMM CC(C)N1CC[C@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)C1=O ZINC000517059881 532403442 /nfs/dbraw/zinc/40/34/42/532403442.db2.gz AGGPKGPRQLNACR-LBPRGKRZSA-N -1 1 392.253 2.442 20 0 GEADMM CN(C)c1cc(Br)cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000559888987 532406801 /nfs/dbraw/zinc/40/68/01/532406801.db2.gz XNZGRLKTUPFBNV-UHFFFAOYSA-N -1 1 379.262 2.228 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](OC(F)F)C2)o1 ZINC000679717502 532406949 /nfs/dbraw/zinc/40/69/49/532406949.db2.gz UHNQJBPNJMFFKY-SNVBAGLBSA-N -1 1 380.413 2.200 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](OC(F)F)C2)o1 ZINC000679717500 532406535 /nfs/dbraw/zinc/40/65/35/532406535.db2.gz UHNQJBPNJMFFKY-JTQLQIEISA-N -1 1 380.413 2.200 20 0 GEADMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000517228736 532410462 /nfs/dbraw/zinc/41/04/62/532410462.db2.gz YBHKPTXOHZZEIW-QMMMGPOBSA-N -1 1 389.301 2.279 20 0 GEADMM O=C(CCc1cccc(F)c1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000649217281 532418494 /nfs/dbraw/zinc/41/84/94/532418494.db2.gz UDHJMWMYIXUXCR-LLVKDONJSA-N -1 1 382.237 2.440 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC2)c(F)c1 ZINC000649632301 532419756 /nfs/dbraw/zinc/41/97/56/532419756.db2.gz SQRJMDKSRHJRDR-NSHDSACASA-N -1 1 378.491 2.396 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)c1 ZINC000427628394 532428664 /nfs/dbraw/zinc/42/86/64/532428664.db2.gz DTFCYCZYOMPWAN-UHFFFAOYSA-N -1 1 379.463 2.466 20 0 GEADMM COCC[C@H](COC)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000427600535 532427841 /nfs/dbraw/zinc/42/78/41/532427841.db2.gz UJHAHAPAPDKUNY-SNVBAGLBSA-N -1 1 383.242 2.484 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](F)C2)c(F)c1 ZINC000649896222 532430866 /nfs/dbraw/zinc/43/08/66/532430866.db2.gz TXYNXYIPPSNMJI-BXUZGUMPSA-N -1 1 396.481 2.346 20 0 GEADMM CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000427804381 532431810 /nfs/dbraw/zinc/43/18/10/532431810.db2.gz MUINPWQDLNRDJK-UHFFFAOYSA-N -1 1 396.632 2.106 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)sc1C ZINC000561342338 532435298 /nfs/dbraw/zinc/43/52/98/532435298.db2.gz LIDWVUTYNKAGRS-LLVKDONJSA-N -1 1 399.460 2.372 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)N(C)C)CCCCC2)c(F)c1 ZINC000650139444 532438817 /nfs/dbraw/zinc/43/88/17/532438817.db2.gz UKTRKAGFFKKRHH-UHFFFAOYSA-N -1 1 376.425 2.043 20 0 GEADMM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1cccc2c1OCCCO2 ZINC000650184124 532440415 /nfs/dbraw/zinc/44/04/15/532440415.db2.gz ZZGZAUBKJLYHQE-UHFFFAOYSA-N -1 1 381.372 2.238 20 0 GEADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000561697549 532448198 /nfs/dbraw/zinc/44/81/98/532448198.db2.gz PBWYDWQBIVIMAB-UHFFFAOYSA-N -1 1 390.433 2.474 20 0 GEADMM CCOc1cc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)cc(Cl)c1[O-] ZINC000561779663 532452313 /nfs/dbraw/zinc/45/23/13/532452313.db2.gz WJZADOWCCDCOFX-JQWIXIFHSA-N -1 1 375.874 2.482 20 0 GEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000194597976 532454291 /nfs/dbraw/zinc/45/42/91/532454291.db2.gz MGRDCKVYVJPYGV-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM CO[C@H](C)CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000282292332 532454639 /nfs/dbraw/zinc/45/46/39/532454639.db2.gz WDHPQGHAGWDKRM-CYBMUJFWSA-N -1 1 384.479 2.264 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000282297573 532455026 /nfs/dbraw/zinc/45/50/26/532455026.db2.gz WVGMSRXOMCGKCW-UHFFFAOYSA-N -1 1 376.360 2.426 20 0 GEADMM COCC[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)C(=O)OC ZINC000428501819 532455085 /nfs/dbraw/zinc/45/50/85/532455085.db2.gz XXJMDZXHCCQNFZ-NSHDSACASA-N -1 1 397.225 2.011 20 0 GEADMM CN(Cc1ncnn1CC(F)F)C(=O)c1ccc(Br)c([O-])c1 ZINC000428823500 532462372 /nfs/dbraw/zinc/46/23/72/532462372.db2.gz FPXFXFZYRBSMEP-UHFFFAOYSA-N -1 1 375.173 2.284 20 0 GEADMM CCc1ncc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000562171532 532459230 /nfs/dbraw/zinc/45/92/30/532459230.db2.gz ONJXJYCSFXVHSD-UHFFFAOYSA-N -1 1 389.264 2.263 20 0 GEADMM C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1nnn[n-]1 ZINC000592766238 532461666 /nfs/dbraw/zinc/46/16/66/532461666.db2.gz MOCOKPKOFLQSGW-VIFPVBQESA-N -1 1 385.209 2.402 20 0 GEADMM C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1nn[n-]n1 ZINC000592766238 532461671 /nfs/dbraw/zinc/46/16/71/532461671.db2.gz MOCOKPKOFLQSGW-VIFPVBQESA-N -1 1 385.209 2.402 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cncc(Cl)c1 ZINC000295622885 532463340 /nfs/dbraw/zinc/46/33/40/532463340.db2.gz HCPSNALRNUDTJC-UHFFFAOYSA-N -1 1 381.841 2.477 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccoc1C1(O)CCOCC1 ZINC000373916576 532479080 /nfs/dbraw/zinc/47/90/80/532479080.db2.gz QQJBEQLUGWXPBK-UHFFFAOYSA-N -1 1 383.198 2.393 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C1(CC(C)C)CCCC1 ZINC000469234011 532496845 /nfs/dbraw/zinc/49/68/45/532496845.db2.gz BJDLBNKARNKYDG-UHFFFAOYSA-N -1 1 389.543 2.158 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nccn2C(F)F)c(F)c1 ZINC000593556990 532486472 /nfs/dbraw/zinc/48/64/72/532486472.db2.gz PLUUUQWXAKQBIK-UHFFFAOYSA-N -1 1 377.344 2.073 20 0 GEADMM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1F ZINC000685818082 532497414 /nfs/dbraw/zinc/49/74/14/532497414.db2.gz ZZLMEROINXIXFE-SKDRFNHKSA-N -1 1 383.272 2.478 20 0 GEADMM Cc1c(F)cccc1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282675787 532488530 /nfs/dbraw/zinc/48/85/30/532488530.db2.gz QSPGSDVYJVDPBN-UHFFFAOYSA-N -1 1 382.379 2.213 20 0 GEADMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1c(Cl)cccc1Br 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380.242 2.464 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224435 532509548 /nfs/dbraw/zinc/50/95/48/532509548.db2.gz PGBJHVCAUWKPFQ-STQMWFEESA-N -1 1 399.285 2.224 20 0 GEADMM CO[C@@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1Br ZINC000630226823 532509584 /nfs/dbraw/zinc/50/95/84/532509584.db2.gz HOQZDNOOQWTZNY-CQSZACIVSA-N -1 1 399.285 2.144 20 0 GEADMM COc1ccc(Br)c(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC000630221659 532509714 /nfs/dbraw/zinc/50/97/14/532509714.db2.gz DMDAWLXUYILSOE-UHFFFAOYSA-N -1 1 385.258 2.079 20 0 GEADMM COc1ccc(Br)c(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000630224323 532510247 /nfs/dbraw/zinc/51/02/47/532510247.db2.gz NLJKFPKVWLINIU-LBPRGKRZSA-N -1 1 399.285 2.008 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[N@@H+]1C1CC1 ZINC000563799647 532510528 /nfs/dbraw/zinc/51/05/28/532510528.db2.gz XKYNXHUOLRUIHY-ZYHUDNBSSA-N -1 1 383.901 2.128 20 0 GEADMM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)C 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C/C=C/C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC ZINC000594768394 532524118 /nfs/dbraw/zinc/52/41/18/532524118.db2.gz LUHGPMCRLLLROX-JOAKQRRISA-N -1 1 377.260 2.020 20 0 GEADMM C/C=C\C[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC ZINC000594768395 532524158 /nfs/dbraw/zinc/52/41/58/532524158.db2.gz LUHGPMCRLLLROX-MZBZXASESA-N -1 1 377.260 2.020 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C1CCOCC1 ZINC000594767608 532524332 /nfs/dbraw/zinc/52/43/32/532524332.db2.gz TWMAUBNESOJLFR-OAHLLOKOSA-N -1 1 393.864 2.257 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CNS(=O)(=O)c2ccccc2)c1 ZINC000564520923 532526788 /nfs/dbraw/zinc/52/67/88/532526788.db2.gz IYIGEAPZMGZYIW-UHFFFAOYSA-N -1 1 399.266 2.380 20 0 GEADMM CCCCN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000564559882 532527539 /nfs/dbraw/zinc/52/75/39/532527539.db2.gz ZZBFYMWEGBOSQX-OAHLLOKOSA-N -1 1 390.527 2.028 20 0 GEADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1Cl ZINC000432204816 532529818 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/nfs/dbraw/zinc/63/17/83/532631783.db2.gz OCTLHJIMBMLSFT-QLFBSQMISA-N -1 1 386.539 2.464 20 0 GEADMM CN(C)S(=O)(=O)c1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)s1 ZINC000656766305 532631817 /nfs/dbraw/zinc/63/18/17/532631817.db2.gz OCTLHJIMBMLSFT-SOUVJXGZSA-N -1 1 386.539 2.464 20 0 GEADMM NC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c(Cl)cc1Cl ZINC000436480566 532634805 /nfs/dbraw/zinc/63/48/05/532634805.db2.gz YSVMSYVYGQSORA-UHFFFAOYSA-N -1 1 399.206 2.355 20 0 GEADMM O=C(NCCCNS(=O)(=O)c1ccccc1Cl)c1ccc([O-])cc1F ZINC000436483343 532634903 /nfs/dbraw/zinc/63/49/03/532634903.db2.gz CCVYCXYEEYFEEV-UHFFFAOYSA-N -1 1 386.832 2.283 20 0 GEADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000436557991 532636376 /nfs/dbraw/zinc/63/63/76/532636376.db2.gz ZFYUOCOJPVFYKG-NEPJUHHUSA-N -1 1 399.285 2.158 20 0 GEADMM CC(C)[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])CCO1 ZINC000436906328 532646378 /nfs/dbraw/zinc/64/63/78/532646378.db2.gz VQWFPPUETVJYHT-ZDUSSCGKSA-N -1 1 375.206 2.494 20 0 GEADMM CN(CCC[N-]S(=O)(=O)c1ncccc1Br)CC(F)(F)F ZINC000656877429 532637572 /nfs/dbraw/zinc/63/75/72/532637572.db2.gz ODONHEFZGITICN-UHFFFAOYSA-N -1 1 390.225 2.007 20 0 GEADMM CNC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656881848 532638656 /nfs/dbraw/zinc/63/86/56/532638656.db2.gz ZRGUUGSCRNGLPN-UHFFFAOYSA-N -1 1 390.086 2.170 20 0 GEADMM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000632712785 532641163 /nfs/dbraw/zinc/64/11/63/532641163.db2.gz ZVTSOLJVGNMSPI-HTQZYQBOSA-N -1 1 399.192 2.029 20 0 GEADMM CCOC(=O)[C@@H](NC(=O)c1ccc(Br)cc1[O-])[C@@H]1CCCOC1 ZINC000436656854 532641193 /nfs/dbraw/zinc/64/11/93/532641193.db2.gz HULBUKJKCNWPBE-YGRLFVJLSA-N -1 1 386.242 2.243 20 0 GEADMM Cc1nccnc1CCNC(=O)c1cc(I)ccc1[O-] ZINC000436660909 532641556 /nfs/dbraw/zinc/64/15/56/532641556.db2.gz DGAYWUOBDCLTNW-UHFFFAOYSA-N -1 1 383.189 2.068 20 0 GEADMM NS(=O)(=O)c1cccc2c(C(=O)Nc3ccc([O-])c(Cl)c3)nccc21 ZINC000436678643 532641575 /nfs/dbraw/zinc/64/15/75/532641575.db2.gz 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GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCOC2CCCC2)c1F ZINC000599226778 532653621 /nfs/dbraw/zinc/65/36/21/532653621.db2.gz ZLWLBXSESQYRKA-UHFFFAOYSA-N -1 1 377.409 2.379 20 0 GEADMM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000532775804 532657271 /nfs/dbraw/zinc/65/72/71/532657271.db2.gz KCLZYGZDXZIUMF-CYBMUJFWSA-N -1 1 388.536 2.291 20 0 GEADMM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ncccc1Br ZINC000656998904 532657532 /nfs/dbraw/zinc/65/75/32/532657532.db2.gz GKZBRZPCJCHGDA-MRVPVSSYSA-N -1 1 391.209 2.480 20 0 GEADMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599306306 532657620 /nfs/dbraw/zinc/65/76/20/532657620.db2.gz FHLLYVQFZGTVJC-UHFFFAOYSA-N -1 1 379.425 2.483 20 0 GEADMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc(Br)ccc1[O-] ZINC000600423955 532675206 /nfs/dbraw/zinc/67/52/06/532675206.db2.gz AYZWCCZWTRZADT-GXFFZTMASA-N -1 1 386.242 2.243 20 0 GEADMM CO[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000378143509 532682023 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GEADMM COC[C@]1(C)CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000381785224 532701464 /nfs/dbraw/zinc/70/14/64/532701464.db2.gz RPSWATNBZOBPJY-CQSZACIVSA-N -1 1 375.206 2.495 20 0 GEADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C2CC2)no1 ZINC000569665549 532702024 /nfs/dbraw/zinc/70/20/24/532702024.db2.gz PZYBESMIRFCATF-ZDUSSCGKSA-N -1 1 376.360 2.396 20 0 GEADMM COc1cc(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)sn1 ZINC000641605742 532702378 /nfs/dbraw/zinc/70/23/78/532702378.db2.gz LHUZYHSXORMLHN-LLVKDONJSA-N -1 1 388.433 2.461 20 0 GEADMM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000536129996 532690630 /nfs/dbraw/zinc/69/06/30/532690630.db2.gz GGJCJWCOCHRUPF-UHFFFAOYSA-N -1 1 382.341 2.455 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2cscn2)c1 ZINC000299284190 532708128 /nfs/dbraw/zinc/70/81/28/532708128.db2.gz PPHRTLYQJFVTRB-UHFFFAOYSA-N -1 1 383.495 2.451 20 0 GEADMM Cc1nnc(CCNC(=O)c2ccc(I)c([O-])c2)s1 ZINC000392214580 532708799 /nfs/dbraw/zinc/70/87/99/532708799.db2.gz OETYMGVPHCVJGU-UHFFFAOYSA-N -1 1 389.218 2.129 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)[C@@H](C)CC ZINC000489564171 532709961 /nfs/dbraw/zinc/70/99/61/532709961.db2.gz RNPGKCPTCBGEEK-UONOGXRCSA-N -1 1 377.503 2.007 20 0 GEADMM C[S@](=O)C1(CNC(=O)c2ccc(I)c([O-])c2)CCC1 ZINC000393759428 532710185 /nfs/dbraw/zinc/71/01/85/532710185.db2.gz KCPVXYHXSKXWCI-IBGZPJMESA-N -1 1 393.246 2.028 20 0 GEADMM CC(=O)c1csc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000538886873 532722597 /nfs/dbraw/zinc/72/25/97/532722597.db2.gz GUOWDAKJMHKHMY-UHFFFAOYSA-N -1 1 380.447 2.349 20 0 GEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c1 ZINC000539116061 532724334 /nfs/dbraw/zinc/72/43/34/532724334.db2.gz XHAIJJHKZCGBBV-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c(F)c1 ZINC000409944662 532731043 /nfs/dbraw/zinc/73/10/43/532731043.db2.gz BHHLPRFNPPCWTI-LLVKDONJSA-N -1 1 386.417 2.006 20 0 GEADMM CC[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1)Oc1cccc(Cl)c1 ZINC000440632697 532719186 /nfs/dbraw/zinc/71/91/86/532719186.db2.gz BYKCNGIMRYMPHB-GFCCVEGCSA-N -1 1 386.857 2.429 20 0 GEADMM O=S(=O)([N-][C@H](Cc1ccccc1)[C@H](O)C(F)F)c1cc(F)ccc1F ZINC000443225413 532742846 /nfs/dbraw/zinc/74/28/46/532742846.db2.gz KKUCJWOQOQMKAW-HIFRSBDPSA-N -1 1 377.359 2.480 20 0 GEADMM COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000443281272 532744271 /nfs/dbraw/zinc/74/42/71/532744271.db2.gz ZTQHALAJOHNVKF-JSGCOSHPSA-N -1 1 375.874 2.482 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(F)ccc1I)c1nn[n-]n1 ZINC000267549225 532745995 /nfs/dbraw/zinc/74/59/95/532745995.db2.gz CIXFXZMMWBPYRJ-SNVBAGLBSA-N -1 1 389.172 2.215 20 0 GEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)c1 ZINC000268293291 532760733 /nfs/dbraw/zinc/76/07/33/532760733.db2.gz FAXSTABJJTUBOP-UHFFFAOYSA-N -1 1 387.454 2.318 20 0 GEADMM Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)CCOCC(F)(F)F)n1 ZINC000580865359 532750412 /nfs/dbraw/zinc/75/04/12/532750412.db2.gz MATKRPXUTNLGAD-UHFFFAOYSA-N -1 1 378.376 2.205 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)c(Br)n1C ZINC000286483579 532751068 /nfs/dbraw/zinc/75/10/68/532751068.db2.gz CITWFSRQVGLGHK-QMMMGPOBSA-N -1 1 378.317 2.462 20 0 GEADMM CC(C)(C)NS(=O)(=O)CCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000581023948 532752936 /nfs/dbraw/zinc/75/29/36/532752936.db2.gz RHHHBQRQKIIXAB-UHFFFAOYSA-N -1 1 385.873 2.042 20 0 GEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)o1 ZINC000542748940 532779377 /nfs/dbraw/zinc/77/93/77/532779377.db2.gz WVOVYLMYRSUMBA-ZETCQYMHSA-N -1 1 388.243 2.115 20 0 GEADMM CCC(CC)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(N)=O ZINC000508726373 532764754 /nfs/dbraw/zinc/76/47/54/532764754.db2.gz IJOAKYAOSHSLAP-UHFFFAOYSA-N -1 1 397.280 2.102 20 0 GEADMM C[C@H](C[S@](C)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000302169405 532767714 /nfs/dbraw/zinc/76/77/14/532767714.db2.gz PPOKLEAOVCKHGC-ZZDSUILFSA-N -1 1 389.449 2.340 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451622322 532768103 /nfs/dbraw/zinc/76/81/03/532768103.db2.gz FNTCSXOICQEEJZ-UHFFFAOYSA-N -1 1 377.344 2.431 20 0 GEADMM CCCN(C)S(=O)(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000268802327 532771490 /nfs/dbraw/zinc/77/14/90/532771490.db2.gz ZFYRSBKDHUIOIS-UHFFFAOYSA-N -1 1 383.495 2.486 20 0 GEADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(I)c([O-])c1 ZINC000313786993 532779784 /nfs/dbraw/zinc/77/97/84/532779784.db2.gz UKMMMQSDLHUZMD-HUUCEWRRSA-N -1 1 395.196 2.385 20 0 GEADMM CCN(C(=O)CNC(=O)c1ncccc1[O-])c1ccc(Br)cc1 ZINC000510006441 532772445 /nfs/dbraw/zinc/77/24/45/532772445.db2.gz HMJKYEJQDQGONQ-UHFFFAOYSA-N -1 1 378.226 2.333 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1(S(C)(=O)=O)CC1 ZINC000510458983 532773956 /nfs/dbraw/zinc/77/39/56/532773956.db2.gz SMQZZQDYSPOZSC-ZETCQYMHSA-N -1 1 390.285 2.377 20 0 GEADMM CO[C@@H]([C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000412387913 532789710 /nfs/dbraw/zinc/78/97/10/532789710.db2.gz BXXZBOUGRQNXND-XPTSAGLGSA-N -1 1 395.308 2.201 20 0 GEADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCCO1 ZINC000287285459 532789834 /nfs/dbraw/zinc/78/98/34/532789834.db2.gz IXTFPWHPMVMRRO-LLVKDONJSA-N -1 1 382.860 2.397 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)CS(=O)(=O)c2ccc(C)cc2)sc1C ZINC000548451660 532790468 /nfs/dbraw/zinc/79/04/68/532790468.db2.gz JZNVXFHYEGRKQN-LLVKDONJSA-N -1 1 388.536 2.209 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1 ZINC000327051093 532791880 /nfs/dbraw/zinc/79/18/80/532791880.db2.gz TUHBJKLWLSEWEI-UHFFFAOYSA-N -1 1 376.312 2.365 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H](O)c1c(F)cccc1F ZINC000269882067 532792018 /nfs/dbraw/zinc/79/20/18/532792018.db2.gz WLYDYDALSQULHQ-ZYHUDNBSSA-N -1 1 379.816 2.142 20 0 GEADMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)no1 ZINC000328608228 532794208 /nfs/dbraw/zinc/79/42/08/532794208.db2.gz LWBXEIRRHPLBPJ-UHFFFAOYSA-N -1 1 387.845 2.270 20 0 GEADMM CN(C)C(=O)[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000412559410 532795737 /nfs/dbraw/zinc/79/57/37/532795737.db2.gz KNSHUFOMNPMOLE-JTQLQIEISA-N -1 1 392.253 2.253 20 0 GEADMM CCCn1c(SCC(=O)Nc2nnn[n-]2)nnc1-c1ccc(Cl)cc1 ZINC000412987684 532806064 /nfs/dbraw/zinc/80/60/64/532806064.db2.gz WOGPUWHDLUWQID-UHFFFAOYSA-N -1 1 378.849 2.252 20 0 GEADMM CCCn1c(SCC(=O)Nc2nn[n-]n2)nnc1-c1ccc(Cl)cc1 ZINC000412987684 532806066 /nfs/dbraw/zinc/80/60/66/532806066.db2.gz WOGPUWHDLUWQID-UHFFFAOYSA-N -1 1 378.849 2.252 20 0 GEADMM O=S(=O)([N-]C[C@@H](O)COc1ccc(F)c(F)c1)c1cc(Cl)ccc1F ZINC000551144211 532799303 /nfs/dbraw/zinc/79/93/03/532799303.db2.gz PHWQGJPKHWHUJP-SNVBAGLBSA-N -1 1 395.786 2.476 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3F)C2=O)sc1C ZINC000328894482 532799600 /nfs/dbraw/zinc/79/96/00/532799600.db2.gz UWGYVUVSASJRLD-CYBMUJFWSA-N -1 1 383.470 2.373 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c(F)c1 ZINC000552359522 532803646 /nfs/dbraw/zinc/80/36/46/532803646.db2.gz GEMYVJGBBIMCPL-UHFFFAOYSA-N -1 1 392.861 2.329 20 0 GEADMM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)s1 ZINC000287636045 532803930 /nfs/dbraw/zinc/80/39/30/532803930.db2.gz BPSNUXIXDSDJEF-SSDOTTSWSA-N -1 1 393.332 2.338 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)sc1C ZINC000330289556 532816752 /nfs/dbraw/zinc/81/67/52/532816752.db2.gz DZQCUCRYKFRSHU-NEPJUHHUSA-N -1 1 384.483 2.219 20 0 GEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000273547241 532826285 /nfs/dbraw/zinc/82/62/85/532826285.db2.gz CCKNHUAYRGFZFJ-YFKPBYRVSA-N -1 1 383.318 2.413 20 0 GEADMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000330816738 532827443 /nfs/dbraw/zinc/82/74/43/532827443.db2.gz MYHJVTCZPRTUOQ-MRVPVSSYSA-N -1 1 376.276 2.302 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2cc(Br)cs2)C1=O ZINC000414650414 532834182 /nfs/dbraw/zinc/83/41/82/532834182.db2.gz FLWHETMZGTWCND-VXGBXAGGSA-N -1 1 375.288 2.310 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NCc2ccc(F)c(Br)c2)C1=O ZINC000414652958 532834270 /nfs/dbraw/zinc/83/42/70/532834270.db2.gz HINZRMAEEBCPPE-UONOGXRCSA-N -1 1 387.249 2.388 20 0 GEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(F)cc2Cl)no1 ZINC000273890021 532836771 /nfs/dbraw/zinc/83/67/71/532836771.db2.gz VTQQLNWGPQXHQN-UHFFFAOYSA-N -1 1 391.852 2.297 20 0 GEADMM CCOc1cc(C(=O)N([C@H](C)CS(C)(=O)=O)C2CC2)cc(Cl)c1[O-] ZINC000273957120 532838369 /nfs/dbraw/zinc/83/83/69/532838369.db2.gz OBRZSNMYKDKNJW-SNVBAGLBSA-N -1 1 375.874 2.482 20 0 GEADMM O=C(c1ccc(Cl)cc1[O-])N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000359956010 209208194 /nfs/dbraw/zinc/20/81/94/209208194.db2.gz KFPSDMJBQUNJHY-UHFFFAOYSA-N -1 1 375.812 2.135 20 0 GEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000274250720 532845901 /nfs/dbraw/zinc/84/59/01/532845901.db2.gz ZGYQLSRIFPDEDQ-ZETCQYMHSA-N -1 1 381.159 2.161 20 0 GEADMM O=C(c1ccc(I)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332306066 532851958 /nfs/dbraw/zinc/85/19/58/532851958.db2.gz LJLHNAQVCHHYDN-SNVBAGLBSA-N -1 1 399.188 2.400 20 0 GEADMM Cn1nccc1N1CCC[C@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000332406203 532854525 /nfs/dbraw/zinc/85/45/25/532854525.db2.gz HVDNVUKKHZGHMJ-LBPRGKRZSA-N -1 1 379.258 2.287 20 0 GEADMM CC(=O)N1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000289620995 532861024 /nfs/dbraw/zinc/86/10/24/532861024.db2.gz VCGMTPVCRYTNDI-UHFFFAOYSA-N -1 1 392.253 2.397 20 0 GEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000275045436 532862416 /nfs/dbraw/zinc/86/24/16/532862416.db2.gz WHBILZASKOJIGZ-CQSZACIVSA-N -1 1 395.308 2.352 20 0 GEADMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000275066641 532863033 /nfs/dbraw/zinc/86/30/33/532863033.db2.gz ACXCPMBKHHSMBV-UHFFFAOYSA-N -1 1 382.869 2.274 20 0 GEADMM Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289716409 532864038 /nfs/dbraw/zinc/86/40/38/532864038.db2.gz XACACSGUUMDAOG-CYBMUJFWSA-N -1 1 378.416 2.383 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000416126908 532864456 /nfs/dbraw/zinc/86/44/56/532864456.db2.gz CCQQJCSCEOJZRQ-UHFFFAOYSA-N -1 1 394.225 2.468 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000416134744 532864849 /nfs/dbraw/zinc/86/48/49/532864849.db2.gz PHJHNPUJOMFLCA-UHFFFAOYSA-N -1 1 380.198 2.078 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(c3c(F)cccc3F)C2=O)sc1C ZINC000333202536 532865727 /nfs/dbraw/zinc/86/57/27/532865727.db2.gz ZSOJYYFGRAWIOT-GFCCVEGCSA-N -1 1 387.433 2.122 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000416240372 532868329 /nfs/dbraw/zinc/86/83/29/532868329.db2.gz BKGOMRYZVCXBHI-SECBINFHSA-N -1 1 398.188 2.215 20 0 GEADMM CC(=O)N1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000290049689 532871384 /nfs/dbraw/zinc/87/13/84/532871384.db2.gz RQRXMMUNBHSNAQ-UHFFFAOYSA-N -1 1 378.226 2.007 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333965371 532876431 /nfs/dbraw/zinc/87/64/31/532876431.db2.gz PXFNLUUKPRLZMS-HNNXBMFYSA-N -1 1 388.283 2.196 20 0 GEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000334014103 532877511 /nfs/dbraw/zinc/87/75/11/532877511.db2.gz XPPDWSFPHTZPBP-UHFFFAOYSA-N -1 1 388.283 2.338 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C(C)C)C2CCC2)nc1 ZINC000349476747 532881675 /nfs/dbraw/zinc/88/16/75/532881675.db2.gz PPXRKGVKBNSUNJ-UHFFFAOYSA-N -1 1 389.543 2.115 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CCC1)C(F)F ZINC000349480932 532881818 /nfs/dbraw/zinc/88/18/18/532881818.db2.gz LUZJWVVCJNPIPC-LBPRGKRZSA-N -1 1 396.481 2.182 20 0 GEADMM CCc1nn(C)cc1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290478013 532882262 /nfs/dbraw/zinc/88/22/62/532882262.db2.gz WOHAEVDSYDPJGQ-UHFFFAOYSA-N -1 1 391.280 2.206 20 0 GEADMM CC[C@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349558784 532882849 /nfs/dbraw/zinc/88/28/49/532882849.db2.gz SVESVDORVWXMDJ-LSDHHAIUSA-N -1 1 389.543 2.020 20 0 GEADMM CN(C)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)[nH]1 ZINC000417581777 532880489 /nfs/dbraw/zinc/88/04/89/532880489.db2.gz IQUTYPZDFFUZAJ-AWEZNQCLSA-N -1 1 380.242 2.395 20 0 GEADMM CC[C@H]1CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000349611177 532884035 /nfs/dbraw/zinc/88/40/35/532884035.db2.gz SHNFULPQFMMFBM-HNNXBMFYSA-N -1 1 389.543 2.034 20 0 GEADMM O=C(C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000290735467 532888070 /nfs/dbraw/zinc/88/80/70/532888070.db2.gz GOJZBMYWKVOCLA-SNVBAGLBSA-N -1 1 376.762 2.440 20 0 GEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000421136607 532888117 /nfs/dbraw/zinc/88/81/17/532888117.db2.gz DTBRVARGSLNHOU-AWEZNQCLSA-N -1 1 392.543 2.048 20 0 GEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000421155675 532888628 /nfs/dbraw/zinc/88/86/28/532888628.db2.gz OFDNYNIYQAKPOF-CQSZACIVSA-N -1 1 377.388 2.445 20 0 GEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000421149048 532888778 /nfs/dbraw/zinc/88/87/78/532888778.db2.gz FLQMRQXHONWKHG-INIZCTEOSA-N -1 1 383.491 2.090 20 0 GEADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C(C)C)ccc1C)OC ZINC000421152127 532888974 /nfs/dbraw/zinc/88/89/74/532888974.db2.gz JMHKTFJJENENEW-AWEZNQCLSA-N -1 1 392.543 2.191 20 0 GEADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000291010936 532894857 /nfs/dbraw/zinc/89/48/57/532894857.db2.gz WFWSATJYXTTXIC-UHFFFAOYSA-N -1 1 397.400 2.250 20 0 GEADMM O=S(=O)([N-]C1CCN(c2cccnn2)CC1)c1c(Cl)ccnc1Cl ZINC000276994975 532905578 /nfs/dbraw/zinc/90/55/78/532905578.db2.gz HBMGQOCSIJOONN-UHFFFAOYSA-N -1 1 388.280 2.126 20 0 GEADMM C[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)N1CCc2sccc2C1 ZINC000276956844 532904345 /nfs/dbraw/zinc/90/43/45/532904345.db2.gz CWKBTUBJBQGEEQ-SNVBAGLBSA-N -1 1 377.432 2.068 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cs1 ZINC000365826910 532912328 /nfs/dbraw/zinc/91/23/28/532912328.db2.gz FKMDGDFCQCWWPL-UHFFFAOYSA-N -1 1 382.398 2.260 20 0 GEADMM CSc1nc(=NC(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)s[n-]1 ZINC000366270989 532915630 /nfs/dbraw/zinc/91/56/30/532915630.db2.gz PCRSPLCZWRUVRH-SKDRFNHKSA-N -1 1 398.583 2.479 20 0 GEADMM CSc1nc(=NC(=O)N[C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)s[n-]1 ZINC000366270989 532915632 /nfs/dbraw/zinc/91/56/32/532915632.db2.gz PCRSPLCZWRUVRH-SKDRFNHKSA-N -1 1 398.583 2.479 20 0 GEADMM Cc1nnc([C@@H](C)NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000292402842 532916149 /nfs/dbraw/zinc/91/61/49/532916149.db2.gz NADVNPZGIJFLCR-SCZZXKLOSA-N -1 1 379.408 2.008 20 0 GEADMM COC(=O)c1c[n-]c(SCC(=O)c2cc3c(s2)CCN(C(C)=O)C3)n1 ZINC000366026637 532913879 /nfs/dbraw/zinc/91/38/79/532913879.db2.gz DJKDIKZJSPXEMM-UHFFFAOYSA-N -1 1 379.463 2.137 20 0 GEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1Cl ZINC000292567655 532916879 /nfs/dbraw/zinc/91/68/79/532916879.db2.gz YMGLOZMFFYEOOE-SNVBAGLBSA-N -1 1 385.829 2.085 20 0 GEADMM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cnn(CC(F)F)c1 ZINC000292914227 532920066 /nfs/dbraw/zinc/92/00/66/532920066.db2.gz XIQZCRRQGVUTET-QMMMGPOBSA-N -1 1 376.332 2.187 20 0 GEADMM Cn1cc(Br)c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000293188241 532923263 /nfs/dbraw/zinc/92/32/63/532923263.db2.gz FBNJUJICKFUXGT-SECBINFHSA-N -1 1 383.212 2.073 20 0 GEADMM CCc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000293212324 532923535 /nfs/dbraw/zinc/92/35/35/532923535.db2.gz UZYUJUHLDCDKCQ-LBPRGKRZSA-N -1 1 377.388 2.013 20 0 GEADMM CCO[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000293215407 532923776 /nfs/dbraw/zinc/92/37/76/532923776.db2.gz VGDRDDFIJKFJKT-LBPRGKRZSA-N -1 1 377.388 2.495 20 0 GEADMM CCOc1cccc(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000293461984 532927233 /nfs/dbraw/zinc/92/72/33/532927233.db2.gz LEBZCGYROVEJFM-UHFFFAOYSA-N -1 1 377.388 2.359 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)Oc1ccc(F)cc1 ZINC000293384248 532926074 /nfs/dbraw/zinc/92/60/74/532926074.db2.gz GNDBCOIZRYCOGL-SECBINFHSA-N -1 1 381.351 2.324 20 0 GEADMM O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000368553568 532933423 /nfs/dbraw/zinc/93/34/23/532933423.db2.gz ADMKNXVLSIULRE-LLVKDONJSA-N -1 1 380.246 2.362 20 0 GEADMM CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736841225 598824607 /nfs/dbraw/zinc/82/46/07/598824607.db2.gz APZQZVYKNMVHCS-UHFFFAOYSA-N -1 1 385.236 2.394 20 0 GEADMM CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736841225 598824608 /nfs/dbraw/zinc/82/46/08/598824608.db2.gz APZQZVYKNMVHCS-UHFFFAOYSA-N -1 1 385.236 2.394 20 0 GEADMM COc1ncc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000737163873 598834249 /nfs/dbraw/zinc/83/42/49/598834249.db2.gz RQAYOVYLXOFVFQ-UHFFFAOYSA-N -1 1 393.432 2.324 20 0 GEADMM COc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737119854 598841638 /nfs/dbraw/zinc/84/16/38/598841638.db2.gz UYTWANDQSZOPIZ-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM COc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737119854 598841639 /nfs/dbraw/zinc/84/16/39/598841639.db2.gz UYTWANDQSZOPIZ-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM C[C@H]1c2cccn2CCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736301399 598872662 /nfs/dbraw/zinc/87/26/62/598872662.db2.gz AWJWPHQKFRQBHI-JTQLQIEISA-N -1 1 378.845 2.087 20 0 GEADMM C[C@H]1c2cccn2CCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736301399 598872663 /nfs/dbraw/zinc/87/26/63/598872663.db2.gz AWJWPHQKFRQBHI-JTQLQIEISA-N -1 1 378.845 2.087 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738355186 598873409 /nfs/dbraw/zinc/87/34/09/598873409.db2.gz NNXVOKTYMJLJBM-MRVPVSSYSA-N -1 1 395.794 2.483 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738355186 598873410 /nfs/dbraw/zinc/87/34/10/598873410.db2.gz NNXVOKTYMJLJBM-MRVPVSSYSA-N -1 1 395.794 2.483 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000737546265 598891841 /nfs/dbraw/zinc/89/18/41/598891841.db2.gz CMGCZEWUNMLZIR-GOSISDBHSA-N -1 1 398.448 2.258 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000737546265 598891843 /nfs/dbraw/zinc/89/18/43/598891843.db2.gz CMGCZEWUNMLZIR-GOSISDBHSA-N -1 1 398.448 2.258 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccn1 ZINC000737488414 598894033 /nfs/dbraw/zinc/89/40/33/598894033.db2.gz UUEMDOFNQAARNF-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccn1 ZINC000737488414 598894034 /nfs/dbraw/zinc/89/40/34/598894034.db2.gz UUEMDOFNQAARNF-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM O=C(NCCn1cccn1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738094457 598906877 /nfs/dbraw/zinc/90/68/77/598906877.db2.gz ICIRJYNTGWDAAN-UHFFFAOYSA-N -1 1 394.464 2.291 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@@H](O)C1 ZINC000738111103 598907575 /nfs/dbraw/zinc/90/75/75/598907575.db2.gz HOHXTIQWNZNDQN-CQSZACIVSA-N -1 1 384.465 2.262 20 0 GEADMM CN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736778327 598918775 /nfs/dbraw/zinc/91/87/75/598918775.db2.gz DDQZTZRMUULXAM-AWEZNQCLSA-N -1 1 387.440 2.184 20 0 GEADMM COc1ccc(OCCN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737109915 598934630 /nfs/dbraw/zinc/93/46/30/598934630.db2.gz PHMXBNJYUMIKJK-UHFFFAOYSA-N -1 1 377.408 2.334 20 0 GEADMM COc1ccc(OCCN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737109915 598934631 /nfs/dbraw/zinc/93/46/31/598934631.db2.gz PHMXBNJYUMIKJK-UHFFFAOYSA-N -1 1 377.408 2.334 20 0 GEADMM CN(Cc1ccc2c(c1)OCCO2)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736820047 598934702 /nfs/dbraw/zinc/93/47/02/598934702.db2.gz JRXSTBMKIARJDX-UHFFFAOYSA-N -1 1 375.392 2.218 20 0 GEADMM CN(Cc1ccc2c(c1)OCCO2)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736820047 598934704 /nfs/dbraw/zinc/93/47/04/598934704.db2.gz JRXSTBMKIARJDX-UHFFFAOYSA-N -1 1 375.392 2.218 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735636468 598959466 /nfs/dbraw/zinc/95/94/66/598959466.db2.gz VXGMUFPKDHOJEE-UHFFFAOYSA-N -1 1 385.881 2.470 20 0 GEADMM CC(C)(C)OC(=O)NC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735636468 598959467 /nfs/dbraw/zinc/95/94/67/598959467.db2.gz VXGMUFPKDHOJEE-UHFFFAOYSA-N -1 1 385.881 2.470 20 0 GEADMM c1ccc(N2C[C@@H]3CN(c4c5ccccc5nnc4-c4nnn[n-]4)C[C@H]3C2)cc1 ZINC000738434639 598962814 /nfs/dbraw/zinc/96/28/14/598962814.db2.gz GXSLOHQVTLXGOD-HUUCEWRRSA-N -1 1 384.447 2.383 20 0 GEADMM c1ccc(N2C[C@@H]3CN(c4c5ccccc5nnc4-c4nn[n-]n4)C[C@H]3C2)cc1 ZINC000738434639 598962817 /nfs/dbraw/zinc/96/28/17/598962817.db2.gz GXSLOHQVTLXGOD-HUUCEWRRSA-N -1 1 384.447 2.383 20 0 GEADMM COCCOc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737015895 598960087 /nfs/dbraw/zinc/96/00/87/598960087.db2.gz QQRYSLFUSVMKSV-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM COCCOc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737015895 598960089 /nfs/dbraw/zinc/96/00/89/598960089.db2.gz QQRYSLFUSVMKSV-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM FC(F)(F)CO[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737627850 598960976 /nfs/dbraw/zinc/96/09/76/598960976.db2.gz RCJOJTRUPHHCFO-SNVBAGLBSA-N -1 1 379.346 2.358 20 0 GEADMM FC(F)(F)CO[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737627850 598960977 /nfs/dbraw/zinc/96/09/77/598960977.db2.gz RCJOJTRUPHHCFO-SNVBAGLBSA-N -1 1 379.346 2.358 20 0 GEADMM COC(=O)c1ccc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736949352 598967239 /nfs/dbraw/zinc/96/72/39/598967239.db2.gz RKQBWUQTFQOHJN-UHFFFAOYSA-N -1 1 391.391 2.087 20 0 GEADMM COC(=O)c1ccc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736949352 598967240 /nfs/dbraw/zinc/96/72/40/598967240.db2.gz RKQBWUQTFQOHJN-UHFFFAOYSA-N -1 1 391.391 2.087 20 0 GEADMM CC(C)[C@H](C)NC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735707613 598963100 /nfs/dbraw/zinc/96/31/00/598963100.db2.gz JHZAIFYIDZABFA-ZDUSSCGKSA-N -1 1 394.483 2.187 20 0 GEADMM CC(C)[C@H](C)NC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735707613 598963101 /nfs/dbraw/zinc/96/31/01/598963101.db2.gz JHZAIFYIDZABFA-ZDUSSCGKSA-N -1 1 394.483 2.187 20 0 GEADMM Cc1csc([C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)n1 ZINC000737455169 598963574 /nfs/dbraw/zinc/96/35/74/598963574.db2.gz MXVILSBXOOCJCL-CYBMUJFWSA-N -1 1 380.437 2.153 20 0 GEADMM Cc1csc([C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)n1 ZINC000737455169 598963576 /nfs/dbraw/zinc/96/35/76/598963576.db2.gz MXVILSBXOOCJCL-CYBMUJFWSA-N -1 1 380.437 2.153 20 0 GEADMM Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737614078 598971303 /nfs/dbraw/zinc/97/13/03/598971303.db2.gz SCVMHGLFTQBTEX-CYBMUJFWSA-N -1 1 392.872 2.384 20 0 GEADMM Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737614078 598971304 /nfs/dbraw/zinc/97/13/04/598971304.db2.gz SCVMHGLFTQBTEX-CYBMUJFWSA-N -1 1 392.872 2.384 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737502922 598984243 /nfs/dbraw/zinc/98/42/43/598984243.db2.gz DCFFXDOKLFUMHW-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737502922 598984245 /nfs/dbraw/zinc/98/42/45/598984245.db2.gz DCFFXDOKLFUMHW-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1c([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnn1-c1ccc(F)cc1 ZINC000737208410 598990024 /nfs/dbraw/zinc/99/00/24/598990024.db2.gz BFCDGJCTIQXQJS-LLVKDONJSA-N -1 1 392.398 2.386 20 0 GEADMM Cc1c([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnn1-c1ccc(F)cc1 ZINC000737208410 598990025 /nfs/dbraw/zinc/99/00/25/598990025.db2.gz BFCDGJCTIQXQJS-LLVKDONJSA-N -1 1 392.398 2.386 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000738258627 598996713 /nfs/dbraw/zinc/99/67/13/598996713.db2.gz JFAKOWNHTPNBFX-DTORHVGOSA-N -1 1 394.279 2.465 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000738258627 598996714 /nfs/dbraw/zinc/99/67/14/598996714.db2.gz JFAKOWNHTPNBFX-DTORHVGOSA-N -1 1 394.279 2.465 20 0 GEADMM Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737448785 598999015 /nfs/dbraw/zinc/99/90/15/598999015.db2.gz PKTFXDFMGDGTRT-UHFFFAOYSA-N -1 1 396.361 2.345 20 0 GEADMM Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737448785 598999016 /nfs/dbraw/zinc/99/90/16/598999016.db2.gz PKTFXDFMGDGTRT-UHFFFAOYSA-N -1 1 396.361 2.345 20 0 GEADMM O=C(NCc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738102129 598999955 /nfs/dbraw/zinc/99/99/55/598999955.db2.gz NQBIJTINERZJSB-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(NCc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738102129 598999956 /nfs/dbraw/zinc/99/99/56/598999956.db2.gz NQBIJTINERZJSB-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736227979 599006445 /nfs/dbraw/zinc/00/64/45/599006445.db2.gz MSKNOYUNMLIDAH-RKDXNWHRSA-N -1 1 375.376 2.305 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC000737225419 599029840 /nfs/dbraw/zinc/02/98/40/599029840.db2.gz NDUVVUMZOWWDDW-UHFFFAOYSA-N -1 1 399.480 2.361 20 0 GEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCc1ccccc1 ZINC000735851230 599032505 /nfs/dbraw/zinc/03/25/05/599032505.db2.gz ZIHHMNCZOREXRV-KRWDZBQOSA-N -1 1 394.435 2.150 20 0 GEADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCc1ccccc1 ZINC000735851230 599032507 /nfs/dbraw/zinc/03/25/07/599032507.db2.gz ZIHHMNCZOREXRV-KRWDZBQOSA-N -1 1 394.435 2.150 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(Cc1ccc(F)cc1)C1CC1 ZINC000738354764 599033663 /nfs/dbraw/zinc/03/36/63/599033663.db2.gz JWWYVMJCZUKNLK-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(Cc1ccc(F)cc1)C1CC1 ZINC000738354764 599033664 /nfs/dbraw/zinc/03/36/64/599033664.db2.gz JWWYVMJCZUKNLK-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737547909 599040634 /nfs/dbraw/zinc/04/06/34/599040634.db2.gz MJLRNNNHXWELBY-KCPJHIHWSA-N -1 1 382.424 2.102 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737547909 599040636 /nfs/dbraw/zinc/04/06/36/599040636.db2.gz MJLRNNNHXWELBY-KCPJHIHWSA-N -1 1 382.424 2.102 20 0 GEADMM COC1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736959976 599083111 /nfs/dbraw/zinc/08/31/11/599083111.db2.gz CIPDJZWSVMLQBP-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM COC1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736959976 599083115 /nfs/dbraw/zinc/08/31/15/599083115.db2.gz CIPDJZWSVMLQBP-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000737200947 599090997 /nfs/dbraw/zinc/09/09/97/599090997.db2.gz OQSOZWIBRWRAKD-DOTOQJQBSA-N -1 1 392.463 2.264 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000735735787 599131241 /nfs/dbraw/zinc/13/12/41/599131241.db2.gz VLUZDGZBUNIPIQ-BJJXKVORSA-N -1 1 386.456 2.138 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000735735787 599131243 /nfs/dbraw/zinc/13/12/43/599131243.db2.gz VLUZDGZBUNIPIQ-BJJXKVORSA-N -1 1 386.456 2.138 20 0 GEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(Cl)ccc2Cl)c1 ZINC000736939464 599164112 /nfs/dbraw/zinc/16/41/12/599164112.db2.gz HOPUZEMMCCQFBM-UHFFFAOYSA-N -1 1 380.191 2.170 20 0 GEADMM CC[C@@]1(C)CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000820950184 599201637 /nfs/dbraw/zinc/20/16/37/599201637.db2.gz KPWLJTCJCXBWQC-FQEVSTJZSA-N -1 1 396.499 2.498 20 0 GEADMM CC[C@@]1(C)CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000820950184 599201639 /nfs/dbraw/zinc/20/16/39/599201639.db2.gz KPWLJTCJCXBWQC-FQEVSTJZSA-N -1 1 396.499 2.498 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CCC(C(=O)[O-])CC2)c1 ZINC000262678620 596919644 /nfs/dbraw/zinc/91/96/44/596919644.db2.gz VEAPKGAPOGHMMN-AWEZNQCLSA-N -1 1 375.469 2.292 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC000736291703 599235852 /nfs/dbraw/zinc/23/58/52/599235852.db2.gz YCMRTMQBMXRARP-SECBINFHSA-N -1 1 393.375 2.121 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H](SC)C2)cc1-c1nn[n-]n1 ZINC000737187804 599242732 /nfs/dbraw/zinc/24/27/32/599242732.db2.gz VPCQYWYWQLIXLP-DTWKUNHWSA-N -1 1 380.499 2.093 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)N1CCCC[C@@H]1CCO ZINC000823493382 607312786 /nfs/dbraw/zinc/31/27/86/607312786.db2.gz MTYVOZLFQDLXSD-MRXNPFEDSA-N -1 1 396.451 2.449 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)N1CCCC[C@@H]1CCO ZINC000823493382 607312787 /nfs/dbraw/zinc/31/27/87/607312787.db2.gz MTYVOZLFQDLXSD-MRXNPFEDSA-N -1 1 396.451 2.449 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)[O-])c1 ZINC000738128811 597494223 /nfs/dbraw/zinc/49/42/23/597494223.db2.gz WLEWOPBZHPWJAW-LLVKDONJSA-N -1 1 379.390 2.126 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])C1)N1CCCCC1 ZINC000818631134 597509389 /nfs/dbraw/zinc/50/93/89/597509389.db2.gz BUAYQTBZWHJPBQ-WBVHZDCISA-N -1 1 375.469 2.338 20 0 GEADMM CC[C@H](C)[C@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000263206839 598187324 /nfs/dbraw/zinc/18/73/24/598187324.db2.gz YIWVZGDPRIKJAP-OHNRDTAOSA-N -1 1 376.453 2.210 20 0 GEADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(Br)c1 ZINC000737365977 598261069 /nfs/dbraw/zinc/26/10/69/598261069.db2.gz MTVIXKCFKANTNK-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(Br)c1 ZINC000737365977 598261071 /nfs/dbraw/zinc/26/10/71/598261071.db2.gz MTVIXKCFKANTNK-UHFFFAOYSA-N -1 1 396.226 2.100 20 0 GEADMM O=S(=O)(NC1CCC(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344763 598264757 /nfs/dbraw/zinc/26/47/57/598264757.db2.gz ZWKRERVOBYZTGY-UHFFFAOYSA-N -1 1 384.465 2.266 20 0 GEADMM O=S(=O)(NC1CCC(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344763 598264758 /nfs/dbraw/zinc/26/47/58/598264758.db2.gz ZWKRERVOBYZTGY-UHFFFAOYSA-N -1 1 384.465 2.266 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000738355255 598268125 /nfs/dbraw/zinc/26/81/25/598268125.db2.gz MBZTVDMTNTZOHA-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000738355255 598268127 /nfs/dbraw/zinc/26/81/27/598268127.db2.gz MBZTVDMTNTZOHA-UHFFFAOYSA-N -1 1 390.856 2.268 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(Cl)c1 ZINC000736132362 598268969 /nfs/dbraw/zinc/26/89/69/598268969.db2.gz VJVLMZOEIWLCKM-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(Cl)c1 ZINC000736132362 598268970 /nfs/dbraw/zinc/26/89/70/598268970.db2.gz VJVLMZOEIWLCKM-MRVPVSSYSA-N -1 1 382.808 2.094 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344604 598269372 /nfs/dbraw/zinc/26/93/72/598269372.db2.gz YNEDFFYONFWVNN-JKSUJKDBSA-N -1 1 384.465 2.266 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344604 598269373 /nfs/dbraw/zinc/26/93/73/598269373.db2.gz YNEDFFYONFWVNN-JKSUJKDBSA-N -1 1 384.465 2.266 20 0 GEADMM O=C(c1c([O-])cccc1Cl)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738246321 598287478 /nfs/dbraw/zinc/28/74/78/598287478.db2.gz FHDYRGVRELIPRX-UHFFFAOYSA-N -1 1 384.827 2.188 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cnc(C3CC3)s2)c(-c2nn[n-]n2)c1C ZINC000737551899 598289079 /nfs/dbraw/zinc/28/90/79/598289079.db2.gz KWIHONDOJYZAAN-UHFFFAOYSA-N -1 1 388.409 2.206 20 0 GEADMM CCc1nn(Cc2cc(F)cc3cccnc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707789 598379773 /nfs/dbraw/zinc/37/97/73/598379773.db2.gz TYJJQGJPQYKDJE-UHFFFAOYSA-N -1 1 379.399 2.284 20 0 GEADMM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737477319 598380862 /nfs/dbraw/zinc/38/08/62/598380862.db2.gz JRUSKPMGEIDZAH-UHFFFAOYSA-N -1 1 395.423 2.431 20 0 GEADMM CCN(C)c1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736511834 598410823 /nfs/dbraw/zinc/41/08/23/598410823.db2.gz LITYDZDHGRBESU-UHFFFAOYSA-N -1 1 399.480 2.075 20 0 GEADMM Cc1nc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cs1 ZINC000737471755 598456159 /nfs/dbraw/zinc/45/61/59/598456159.db2.gz SYUUMTLTSTZXKR-JTQLQIEISA-N -1 1 387.469 2.159 20 0 GEADMM C[C@@H](c1ccccc1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736204458 598503482 /nfs/dbraw/zinc/50/34/82/598503482.db2.gz PYVPTNHVMUILSU-AWEZNQCLSA-N -1 1 388.431 2.401 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000737982775 598504534 /nfs/dbraw/zinc/50/45/34/598504534.db2.gz QACLQDMCTARFHI-UHFFFAOYSA-N -1 1 380.795 2.474 20 0 GEADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736488656 598520458 /nfs/dbraw/zinc/52/04/58/598520458.db2.gz QPYZMQFMXGEWKT-UHFFFAOYSA-N -1 1 387.421 2.234 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc3c(c2)CCCN3)c(-c2nn[n-]n2)c1C ZINC000737551879 598531182 /nfs/dbraw/zinc/53/11/82/598531182.db2.gz KQIFAFIKYXQNIG-UHFFFAOYSA-N -1 1 396.407 2.230 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(Cl)ccc2O)cc1-c1nn[n-]n1 ZINC000737187733 598568819 /nfs/dbraw/zinc/56/88/19/598568819.db2.gz SOSALGCPGRGZRI-UHFFFAOYSA-N -1 1 378.801 2.301 20 0 GEADMM Clc1ccc(NC[C@@H](c2ccccc2)N2CCOCC2)nc1-c1nnn[n-]1 ZINC000737576195 598573959 /nfs/dbraw/zinc/57/39/59/598573959.db2.gz YHPCOPBUMZKMSA-HNNXBMFYSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1ccc(NC[C@@H](c2ccccc2)N2CCOCC2)nc1-c1nn[n-]n1 ZINC000737576195 598573961 /nfs/dbraw/zinc/57/39/61/598573961.db2.gz YHPCOPBUMZKMSA-HNNXBMFYSA-N -1 1 385.859 2.401 20 0 GEADMM Cc1ccc(CC(=O)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737330435 598579121 /nfs/dbraw/zinc/57/91/21/598579121.db2.gz QNNWYEMOJDCFMJ-UHFFFAOYSA-N -1 1 397.870 2.115 20 0 GEADMM Cc1ccc(CC(=O)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737330435 598579123 /nfs/dbraw/zinc/57/91/23/598579123.db2.gz QNNWYEMOJDCFMJ-UHFFFAOYSA-N -1 1 397.870 2.115 20 0 GEADMM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736565732 598581484 /nfs/dbraw/zinc/58/14/84/598581484.db2.gz PBNIIRZDYBVQIJ-HNNXBMFYSA-N -1 1 395.814 2.149 20 0 GEADMM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736565732 598581486 /nfs/dbraw/zinc/58/14/86/598581486.db2.gz PBNIIRZDYBVQIJ-HNNXBMFYSA-N -1 1 395.814 2.149 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344737 598616464 /nfs/dbraw/zinc/61/64/64/598616464.db2.gz ZRDKSPFIBZUWGA-NVXWUHKLSA-N -1 1 398.492 2.342 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344737 598616466 /nfs/dbraw/zinc/61/64/66/598616466.db2.gz ZRDKSPFIBZUWGA-NVXWUHKLSA-N -1 1 398.492 2.342 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccc(Cl)cn1 ZINC000737199798 598616941 /nfs/dbraw/zinc/61/69/41/598616941.db2.gz JKQBQIQXMITTQP-UHFFFAOYSA-N -1 1 387.831 2.228 20 0 GEADMM CCc1nn(Cc2csc(-c3ccccn3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707118 598642581 /nfs/dbraw/zinc/64/25/81/598642581.db2.gz PXLFWCTUCUWNNW-UHFFFAOYSA-N -1 1 394.464 2.115 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737076378 598688151 /nfs/dbraw/zinc/68/81/51/598688151.db2.gz QQUFKSDBDANEFO-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000738352771 598692295 /nfs/dbraw/zinc/69/22/95/598692295.db2.gz AMYWBCXUZSDKTK-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM CCCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736478540 598693136 /nfs/dbraw/zinc/69/31/36/598693136.db2.gz CVVCEWPCCVIKJV-UHFFFAOYSA-N -1 1 390.444 2.044 20 0 GEADMM CC(=O)c1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000735495124 598718891 /nfs/dbraw/zinc/71/88/91/598718891.db2.gz AGCLLXYIJOZMMV-UHFFFAOYSA-N -1 1 388.387 2.023 20 0 GEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736274371 598719557 /nfs/dbraw/zinc/71/95/57/598719557.db2.gz UNXQDGQKOVWKPR-BBRMVZONSA-N -1 1 380.452 2.219 20 0 GEADMM Cc1csc(=O)n1CCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000737456118 598721424 /nfs/dbraw/zinc/72/14/24/598721424.db2.gz ATGJJBVBRJGQAF-UHFFFAOYSA-N -1 1 388.840 2.067 20 0 GEADMM Cc1ncc(C=CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000737491298 598781797 /nfs/dbraw/zinc/78/17/97/598781797.db2.gz GYKVFFCROFLWAS-PLNGDYQASA-N -1 1 388.409 2.037 20 0 GEADMM O=C(NCCNc1snc(Cl)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000738083272 598795761 /nfs/dbraw/zinc/79/57/61/598795761.db2.gz SZDQOIBTKWBSDK-UHFFFAOYSA-N -1 1 385.787 2.097 20 0 GEADMM O=C(NCCNc1snc(Cl)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000738083272 598795762 /nfs/dbraw/zinc/79/57/62/598795762.db2.gz SZDQOIBTKWBSDK-UHFFFAOYSA-N -1 1 385.787 2.097 20 0 GEADMM CCCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000821128133 599304317 /nfs/dbraw/zinc/30/43/17/599304317.db2.gz PIHCKPWLEFUJNK-UHFFFAOYSA-N -1 1 388.453 2.498 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000821719906 599325127 /nfs/dbraw/zinc/32/51/27/599325127.db2.gz JKHXYPAUELVAKM-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCOC2CCCCCC2)cc1-c1nn[n-]n1 ZINC000737186480 599334898 /nfs/dbraw/zinc/33/48/98/599334898.db2.gz IBKZVMICVURGNN-UHFFFAOYSA-N -1 1 392.485 2.158 20 0 GEADMM C[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820569898 599339308 /nfs/dbraw/zinc/33/93/08/599339308.db2.gz AFSUBIBUOYVJLH-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1c1ccccn1 ZINC000823601146 599341301 /nfs/dbraw/zinc/34/13/01/599341301.db2.gz UBRGLJAKPRZTDN-AWEZNQCLSA-N -1 1 390.856 2.441 20 0 GEADMM CN(CCc1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821604759 599341880 /nfs/dbraw/zinc/34/18/80/599341880.db2.gz FBQFZCJIKOZIKG-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM CN(CCc1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821604759 599341882 /nfs/dbraw/zinc/34/18/82/599341882.db2.gz FBQFZCJIKOZIKG-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM CCC[C@@H]1SCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736437267 599342354 /nfs/dbraw/zinc/34/23/54/599342354.db2.gz VRQBWRNMTSRXQK-AWEZNQCLSA-N -1 1 376.486 2.218 20 0 GEADMM Clc1ccc(N2CCn3c(nnc3-c3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000822579068 599360972 /nfs/dbraw/zinc/36/09/72/599360972.db2.gz VJJPGQUBUUSOQK-UHFFFAOYSA-N -1 1 379.815 2.194 20 0 GEADMM Clc1ccc(N2CCn3c(nnc3-c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000822579068 599360975 /nfs/dbraw/zinc/36/09/75/599360975.db2.gz VJJPGQUBUUSOQK-UHFFFAOYSA-N -1 1 379.815 2.194 20 0 GEADMM Clc1nsc(N2CCn3c(nnc3-c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000822591026 599361462 /nfs/dbraw/zinc/36/14/62/599361462.db2.gz OXHVKILLZJEGNC-UHFFFAOYSA-N -1 1 385.844 2.255 20 0 GEADMM Clc1nsc(N2CCn3c(nnc3-c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000822591026 599361465 /nfs/dbraw/zinc/36/14/65/599361465.db2.gz OXHVKILLZJEGNC-UHFFFAOYSA-N -1 1 385.844 2.255 20 0 GEADMM Clc1ccccc1[C@H](CNc1cccc(-c2nnn[n-]2)n1)N1CCOCC1 ZINC000737584361 599405052 /nfs/dbraw/zinc/40/50/52/599405052.db2.gz POTYGBFOPKBUMB-INIZCTEOSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1ccccc1[C@H](CNc1cccc(-c2nn[n-]n2)n1)N1CCOCC1 ZINC000737584361 599405054 /nfs/dbraw/zinc/40/50/54/599405054.db2.gz POTYGBFOPKBUMB-INIZCTEOSA-N -1 1 385.859 2.401 20 0 GEADMM O=C(NCc1ccco1)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000738124036 599412293 /nfs/dbraw/zinc/41/22/93/599412293.db2.gz KMPZZTDHXPFODW-UHFFFAOYSA-N -1 1 375.392 2.397 20 0 GEADMM O=C(NCc1ccco1)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000738124036 599412296 /nfs/dbraw/zinc/41/22/96/599412296.db2.gz KMPZZTDHXPFODW-UHFFFAOYSA-N -1 1 375.392 2.397 20 0 GEADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000738163310 599412306 /nfs/dbraw/zinc/41/23/06/599412306.db2.gz LOBLDUPWSJXFCO-NSHDSACASA-N -1 1 384.831 2.165 20 0 GEADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000738163310 599412309 /nfs/dbraw/zinc/41/23/09/599412309.db2.gz LOBLDUPWSJXFCO-NSHDSACASA-N -1 1 384.831 2.165 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737187758 599495012 /nfs/dbraw/zinc/49/50/12/599495012.db2.gz UESWNGXPMNKZLM-LKFCYVNXSA-N -1 1 382.449 2.353 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000822459168 599548667 /nfs/dbraw/zinc/54/86/67/599548667.db2.gz OAILZINDHARYQJ-RYUDHWBXSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000822459168 599548668 /nfs/dbraw/zinc/54/86/68/599548668.db2.gz OAILZINDHARYQJ-RYUDHWBXSA-N -1 1 382.472 2.106 20 0 GEADMM CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821360331 599571219 /nfs/dbraw/zinc/57/12/19/599571219.db2.gz QSVBKWLLTVRXPC-QZTJIDSGSA-N -1 1 380.452 2.171 20 0 GEADMM CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821360331 599571223 /nfs/dbraw/zinc/57/12/23/599571223.db2.gz QSVBKWLLTVRXPC-QZTJIDSGSA-N -1 1 380.452 2.171 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCS1 ZINC000736291245 599593322 /nfs/dbraw/zinc/59/33/22/599593322.db2.gz UPEHMEBNKQTVLS-MRVPVSSYSA-N -1 1 393.416 2.012 20 0 GEADMM CN(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736827857 599593908 /nfs/dbraw/zinc/59/39/08/599593908.db2.gz CEUYMQFZZUFYPQ-UHFFFAOYSA-N -1 1 387.343 2.299 20 0 GEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCCCCC1 ZINC000738355296 599594296 /nfs/dbraw/zinc/59/42/96/599594296.db2.gz NXSGYRPPFGNTER-UHFFFAOYSA-N -1 1 375.376 2.450 20 0 GEADMM CC(C)(C)CCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735604121 599606908 /nfs/dbraw/zinc/60/69/08/599606908.db2.gz RTLXAIPHUKAXBQ-UHFFFAOYSA-N -1 1 397.439 2.360 20 0 GEADMM CC(C)(C)CCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735604121 599606910 /nfs/dbraw/zinc/60/69/10/599606910.db2.gz RTLXAIPHUKAXBQ-UHFFFAOYSA-N -1 1 397.439 2.360 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737360237 599721425 /nfs/dbraw/zinc/72/14/25/599721425.db2.gz HAIZMDYOPFFZBJ-MRXNPFEDSA-N -1 1 388.399 2.273 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCCNC(=O)[O-])CC1 ZINC000737123598 599729139 /nfs/dbraw/zinc/72/91/39/599729139.db2.gz XVGBBJSVTULUGZ-AWEZNQCLSA-N -1 1 380.464 2.193 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)ccc1O ZINC000740090164 599753587 /nfs/dbraw/zinc/75/35/87/599753587.db2.gz VSKBHXAZROVKFV-UHFFFAOYSA-N -1 1 387.373 2.054 20 0 GEADMM CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccc(OC)c1 ZINC000737084678 599767999 /nfs/dbraw/zinc/76/79/99/599767999.db2.gz CIMJGSHUWOPTSP-OAHLLOKOSA-N -1 1 396.465 2.348 20 0 GEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000736204195 599770178 /nfs/dbraw/zinc/77/01/78/599770178.db2.gz HMLKDWLXFFZULT-INIZCTEOSA-N -1 1 391.487 2.045 20 0 GEADMM CCCc1c(C(=O)N2CCN(c3cc(OC)ccn3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737039951 599773852 /nfs/dbraw/zinc/77/38/52/599773852.db2.gz DHCDLBHAGNQVJQ-UHFFFAOYSA-N -1 1 386.452 2.340 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000737122909 599795847 /nfs/dbraw/zinc/79/58/47/599795847.db2.gz NJXWMOLWXDHNBX-LSDHHAIUSA-N -1 1 392.475 2.145 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736652349 599811195 /nfs/dbraw/zinc/81/11/95/599811195.db2.gz FMWMISZPYQAQAW-GFCCVEGCSA-N -1 1 380.404 2.337 20 0 GEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738038872 599853518 /nfs/dbraw/zinc/85/35/18/599853518.db2.gz JIDCMBNCTKPGPQ-UHFFFAOYSA-N -1 1 392.433 2.472 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738229178 599860977 /nfs/dbraw/zinc/86/09/77/599860977.db2.gz JJKRMUDWMQNSPU-SNVBAGLBSA-N -1 1 384.348 2.086 20 0 GEADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000820187923 607403341 /nfs/dbraw/zinc/40/33/41/607403341.db2.gz ZEFCQIGCWBMOLQ-UHFFFAOYSA-N -1 1 377.412 2.162 20 0 GEADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000820187923 607403342 /nfs/dbraw/zinc/40/33/42/607403342.db2.gz ZEFCQIGCWBMOLQ-UHFFFAOYSA-N -1 1 377.412 2.162 20 0 GEADMM CC1(C)CN(C2(CNC(=O)c3cccc(C(=O)[O-])n3)CCCCC2)CCO1 ZINC000736735067 599920209 /nfs/dbraw/zinc/92/02/09/599920209.db2.gz GALLCGDSLZYPQZ-UHFFFAOYSA-N -1 1 375.469 2.323 20 0 GEADMM CN(C)[C@@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000737358504 599941945 /nfs/dbraw/zinc/94/19/45/599941945.db2.gz NWKRHSRVHWHTAE-INIZCTEOSA-N -1 1 377.466 2.427 20 0 GEADMM O=C([O-])c1ccc(OCCNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000739429253 599943803 /nfs/dbraw/zinc/94/38/03/599943803.db2.gz VUEBMESPRWGQLS-UHFFFAOYSA-N -1 1 398.463 2.122 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)CC(=O)Nc3ccccc3C(=O)[O-])C2)nn1 ZINC000738279958 599957148 /nfs/dbraw/zinc/95/71/48/599957148.db2.gz XEWHENZBYDKQRJ-HNNXBMFYSA-N -1 1 383.452 2.023 20 0 GEADMM Cc1cnn(CC2CCN(CC(=O)NCc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000738812722 599971435 /nfs/dbraw/zinc/97/14/35/599971435.db2.gz UXIJNFCSAPPLTQ-UHFFFAOYSA-N -1 1 385.468 2.310 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736650370 599984419 /nfs/dbraw/zinc/98/44/19/599984419.db2.gz NHEYLBHITBDJGG-CJNGLKHVSA-N -1 1 394.431 2.404 20 0 GEADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000609447238 600006371 /nfs/dbraw/zinc/00/63/71/600006371.db2.gz DSIUQJDHHGAPSM-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)N(C)C)c1 ZINC000738093809 600042502 /nfs/dbraw/zinc/04/25/02/600042502.db2.gz ZKUNCJVVFNWOCW-SFHVURJKSA-N -1 1 399.447 2.059 20 0 GEADMM CN(CCc1ccc(Br)cc1)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000568059502 600089743 /nfs/dbraw/zinc/08/97/43/600089743.db2.gz CCJFTVGNPOWNAF-UHFFFAOYSA-N -1 1 383.286 2.247 20 0 GEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000736214004 600093348 /nfs/dbraw/zinc/09/33/48/600093348.db2.gz HXOYXZQJUNGQOI-DOTOQJQBSA-N -1 1 382.464 2.219 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cc1C ZINC000737688680 600105532 /nfs/dbraw/zinc/10/55/32/600105532.db2.gz NWLCJGYKZXFMBW-UHFFFAOYSA-N -1 1 392.433 2.347 20 0 GEADMM O=C([O-])C1(NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCCCC1 ZINC000739487620 600150021 /nfs/dbraw/zinc/15/00/21/600150021.db2.gz BDBQYXCBWQREFO-UHFFFAOYSA-N -1 1 387.480 2.241 20 0 GEADMM CC(C)[C@@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000269094627 600165567 /nfs/dbraw/zinc/16/55/67/600165567.db2.gz ZACGHSYNNKZVRO-MRXNPFEDSA-N -1 1 391.493 2.471 20 0 GEADMM CC[C@@](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)(C(=O)[O-])c1ccccc1 ZINC000736917642 600170402 /nfs/dbraw/zinc/17/04/02/600170402.db2.gz VFTKIYTXJLXECX-FQEVSTJZSA-N -1 1 397.456 2.342 20 0 GEADMM COCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1C ZINC000548527335 600177235 /nfs/dbraw/zinc/17/72/35/600177235.db2.gz YSLFNRAVODGHET-UHFFFAOYSA-N -1 1 381.406 2.225 20 0 GEADMM COc1ccc(-c2n[nH]c(SCc3noc(CCC(=O)[O-])n3)n2)c(OC)c1 ZINC000737911235 600187285 /nfs/dbraw/zinc/18/72/85/600187285.db2.gz CWXIRQQEJZUMNH-UHFFFAOYSA-N -1 1 391.409 2.181 20 0 GEADMM CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737339339 600196124 /nfs/dbraw/zinc/19/61/24/600196124.db2.gz WVQRCXZICGKXJM-HNNXBMFYSA-N -1 1 383.429 2.120 20 0 GEADMM O=C([O-])CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000739784904 600198415 /nfs/dbraw/zinc/19/84/15/600198415.db2.gz ANXISKAGTSULIN-UHFFFAOYSA-N -1 1 383.429 2.193 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2ccn(C)c2c1 ZINC000737688135 600243488 /nfs/dbraw/zinc/24/34/88/600243488.db2.gz JCBYNNUDGFHWBG-UHFFFAOYSA-N -1 1 388.401 2.464 20 0 GEADMM COc1ccc(-c2n[nH]c(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)n2)cc1OC ZINC000737913207 600244030 /nfs/dbraw/zinc/24/40/30/600244030.db2.gz NVERSMKWLBHKRW-UHFFFAOYSA-N -1 1 385.380 2.384 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccnc2N2CCCCC2)cc1 ZINC000739886644 600244336 /nfs/dbraw/zinc/24/43/36/600244336.db2.gz QUOOJKLIYCWKNH-UHFFFAOYSA-N -1 1 375.450 2.500 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000737362439 600297620 /nfs/dbraw/zinc/29/76/20/600297620.db2.gz XOUVYLFAQNBFJQ-INIZCTEOSA-N -1 1 391.374 2.021 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)c(Cl)c1 ZINC000676076319 600303998 /nfs/dbraw/zinc/30/39/98/600303998.db2.gz OAOUFBVZZPFMEF-UHFFFAOYSA-N -1 1 380.809 2.125 20 0 GEADMM CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737448911 600304109 /nfs/dbraw/zinc/30/41/09/600304109.db2.gz HMSGASDNOQTVMT-MRXNPFEDSA-N -1 1 380.872 2.364 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736218831 600305793 /nfs/dbraw/zinc/30/57/93/600305793.db2.gz TXZQKWGCBJGPQO-WMLDXEAASA-N -1 1 385.464 2.327 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3C[C@@H]4CCCCN4C[C@@H]3C)nc(=O)c12 ZINC000738293157 600321454 /nfs/dbraw/zinc/32/14/54/600321454.db2.gz YCLFILITEKPBRD-JQWIXIFHSA-N -1 1 376.482 2.050 20 0 GEADMM CC(C)C[C@H](NC(=O)CN1CCC(CN2CCc3ccccc32)CC1)C(=O)[O-] ZINC000736413781 600334331 /nfs/dbraw/zinc/33/43/31/600334331.db2.gz UZCGFXCTWWGWQX-IBGZPJMESA-N -1 1 387.524 2.377 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)N(C)C)c1 ZINC000738092997 600341249 /nfs/dbraw/zinc/34/12/49/600341249.db2.gz UGIYREMRNFGCEK-DLBZAZTESA-N -1 1 375.469 2.194 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1cccs1 ZINC000737579496 600344168 /nfs/dbraw/zinc/34/41/68/600344168.db2.gz PRRZPDZJFOVMMZ-LBPRGKRZSA-N -1 1 389.838 2.292 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390454048 600344939 /nfs/dbraw/zinc/34/49/39/600344939.db2.gz BPYIXXWBFCPPQN-AWEZNQCLSA-N -1 1 376.478 2.492 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000736649013 600360649 /nfs/dbraw/zinc/36/06/49/600360649.db2.gz BWEADXMLGIONDA-CQSZACIVSA-N -1 1 394.431 2.185 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2)CC1 ZINC000737529181 600365477 /nfs/dbraw/zinc/36/54/77/600365477.db2.gz SWOBPNZSYVYOGO-LJQANCHMSA-N -1 1 379.460 2.263 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000738519585 600377978 /nfs/dbraw/zinc/37/79/78/600377978.db2.gz SQJREDIXKCKIBB-DOTOQJQBSA-N -1 1 387.480 2.355 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnccc2-n2cccn2)c(F)cc1F ZINC000740090565 600424729 /nfs/dbraw/zinc/42/47/29/600424729.db2.gz XOIGLHFIPURFNL-UHFFFAOYSA-N -1 1 380.332 2.045 20 0 GEADMM O=C([O-])COc1cccc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000738612261 600463564 /nfs/dbraw/zinc/46/35/64/600463564.db2.gz KUQRVXBAAWHSIR-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM O=C([O-])COc1cccc(NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000738612261 600463567 /nfs/dbraw/zinc/46/35/67/600463567.db2.gz KUQRVXBAAWHSIR-UHFFFAOYSA-N -1 1 385.355 2.396 20 0 GEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1n[nH]c(C)c1Br ZINC000737167378 600499076 /nfs/dbraw/zinc/49/90/76/600499076.db2.gz HSOCKTXZHYTTNH-VIFPVBQESA-N -1 1 376.251 2.070 20 0 GEADMM CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000650505564 600504933 /nfs/dbraw/zinc/50/49/33/600504933.db2.gz HYCWSZLOMVURSE-INIZCTEOSA-N -1 1 382.482 2.138 20 0 GEADMM O=C([O-])c1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000567867302 600549737 /nfs/dbraw/zinc/54/97/37/600549737.db2.gz MDUSODBVDFYWHJ-SFHVURJKSA-N -1 1 381.432 2.104 20 0 GEADMM CCOC(=O)C1C(CSC[C@H](C)C(=O)[O-])=NC(=O)N[C@@H]1c1ccccc1 ZINC000737133547 600604671 /nfs/dbraw/zinc/60/46/71/600604671.db2.gz GWJWJHAZGKFFAW-XHDPSFHLSA-N -1 1 378.450 2.312 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)NCc2ccc(F)c(CN(C)C)c2)c(C(=O)[O-])c1C ZINC000736176914 600620124 /nfs/dbraw/zinc/62/01/24/600620124.db2.gz ISCZYBYDSSMEGA-UHFFFAOYSA-N -1 1 389.427 2.284 20 0 GEADMM CNS(=O)(=O)[C@H]1CCCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000737554302 600642688 /nfs/dbraw/zinc/64/26/88/600642688.db2.gz ZVHRNKWBFLWJNE-JTQLQIEISA-N -1 1 386.470 2.252 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000568400601 600645434 /nfs/dbraw/zinc/64/54/34/600645434.db2.gz IAUYBBVBJGVOHL-LJQANCHMSA-N -1 1 388.489 2.429 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000568400600 600645488 /nfs/dbraw/zinc/64/54/88/600645488.db2.gz IAUYBBVBJGVOHL-IBGZPJMESA-N -1 1 388.489 2.429 20 0 GEADMM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833004698 600654109 /nfs/dbraw/zinc/65/41/09/600654109.db2.gz UXAZTPLHLNQSCP-GOSISDBHSA-N -1 1 387.367 2.493 20 0 GEADMM O=C([O-])[C@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1F ZINC000833100919 600657084 /nfs/dbraw/zinc/65/70/84/600657084.db2.gz NRELQWGSCFSCJA-QGZVFWFLSA-N -1 1 385.351 2.191 20 0 GEADMM O=C([O-])Nc1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)ccc1F ZINC000740004917 600666285 /nfs/dbraw/zinc/66/62/85/600666285.db2.gz AOPVFEGKGKVTCQ-UHFFFAOYSA-N -1 1 387.415 2.461 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000818236459 600669031 /nfs/dbraw/zinc/66/90/31/600669031.db2.gz HLOXOPQNWFKLSL-UHFFFAOYSA-N -1 1 390.484 2.166 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCC4)cc2)cs1 ZINC000833304068 600673626 /nfs/dbraw/zinc/67/36/26/600673626.db2.gz OZVLVSXQPBWLPF-UHFFFAOYSA-N -1 1 390.446 2.452 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c[n-]1 ZINC000833303378 600693492 /nfs/dbraw/zinc/69/34/92/600693492.db2.gz IMSSSWHZHRYKOD-INIZCTEOSA-N -1 1 397.884 2.482 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(O)c1 ZINC000525370498 600694284 /nfs/dbraw/zinc/69/42/84/600694284.db2.gz XDXNDTQNVCENNF-UHFFFAOYSA-N -1 1 395.389 2.077 20 0 GEADMM CN1CCC(N(c2cccc(F)c2)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830923766 600754690 /nfs/dbraw/zinc/75/46/90/600754690.db2.gz QXAHHIAFYYQCTO-UHFFFAOYSA-N -1 1 381.429 2.142 20 0 GEADMM CCc1nn(Cc2noc(C3CCCCC3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517587 607466446 /nfs/dbraw/zinc/46/64/46/607466446.db2.gz LCXYGWKNZWKMKJ-UHFFFAOYSA-N -1 1 384.444 2.027 20 0 GEADMM CN1CCC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H]1c1cccs1 ZINC000830928780 600762634 /nfs/dbraw/zinc/76/26/34/600762634.db2.gz QOCWFESWDXVMPO-IAQYHMDHSA-N -1 1 384.479 2.401 20 0 GEADMM Cc1nc(-c2ccc(NCCC[NH+]3CCC(C(=O)[O-])CC3)nc2)[n-]c(=O)c1C ZINC000832990743 600810805 /nfs/dbraw/zinc/81/08/05/600810805.db2.gz ANCZYKONXZSCBD-UHFFFAOYSA-N -1 1 385.468 2.460 20 0 GEADMM Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000498402609 600813094 /nfs/dbraw/zinc/81/30/94/600813094.db2.gz DOZSKFBYCKVKOI-UHFFFAOYSA-N -1 1 391.449 2.069 20 0 GEADMM CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000728507518 600814455 /nfs/dbraw/zinc/81/44/55/600814455.db2.gz AWHYHQGFCDHBPH-UHFFFAOYSA-N -1 1 383.451 2.298 20 0 GEADMM C[C@H]1CN(c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C[C@H](C)O1 ZINC000828500715 600829307 /nfs/dbraw/zinc/82/93/07/600829307.db2.gz WWNGMTLTEQWBLV-STQMWFEESA-N -1 1 393.465 2.138 20 0 GEADMM CCc1cc(CNC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)n[nH]1 ZINC000830218770 600857425 /nfs/dbraw/zinc/85/74/25/600857425.db2.gz NTPYVMLHPXKLGV-UHFFFAOYSA-N -1 1 390.465 2.256 20 0 GEADMM CCCN(CC(=O)[O-])C(=O)c1[nH]nc2ccc(I)cc21 ZINC000544614703 600865354 /nfs/dbraw/zinc/86/53/54/600865354.db2.gz JWFCQGOEOZPPPK-UHFFFAOYSA-N -1 1 387.177 2.104 20 0 GEADMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccccc2-n2cncn2)c1 ZINC000740076239 600888671 /nfs/dbraw/zinc/88/86/71/600888671.db2.gz TVUTZOWPQDHURV-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CN1CC[NH+](Cc2ccc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2)CC1 ZINC000248562079 600896167 /nfs/dbraw/zinc/89/61/67/600896167.db2.gz NVWMRVYEKSCSFB-AQNXPRMDSA-N -1 1 385.508 2.292 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2)CC1 ZINC000248562079 600896168 /nfs/dbraw/zinc/89/61/68/600896168.db2.gz NVWMRVYEKSCSFB-AQNXPRMDSA-N -1 1 385.508 2.292 20 0 GEADMM Cc1cccc(C2(O)CCN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)c1C ZINC000738307629 600974215 /nfs/dbraw/zinc/97/42/15/600974215.db2.gz BVHMTLFOFQJSKI-QGZVFWFLSA-N -1 1 388.508 2.299 20 0 GEADMM CC(C)C[C@H](NC(=O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC000736413898 600986248 /nfs/dbraw/zinc/98/62/48/600986248.db2.gz DSARQAPMXOJHOC-LBPRGKRZSA-N -1 1 384.408 2.458 20 0 GEADMM O=C([O-])c1cccc(-c2nc(CN3CCN(CCCCO)CC3)cs2)c1 ZINC000833326612 601044415 /nfs/dbraw/zinc/04/44/15/601044415.db2.gz SRZPUHTXXGNGHR-UHFFFAOYSA-N -1 1 375.494 2.398 20 0 GEADMM CC(C)(NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000826616708 601081375 /nfs/dbraw/zinc/08/13/75/601081375.db2.gz WVHNYAWWUTXBMN-UHFFFAOYSA-N -1 1 377.466 2.225 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000630224337 601086891 /nfs/dbraw/zinc/08/68/91/601086891.db2.gz NMMOKDHNBSDLMF-ZDUSSCGKSA-N -1 1 384.436 2.235 20 0 GEADMM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630224140 601091066 /nfs/dbraw/zinc/09/10/66/601091066.db2.gz NYSCTCKYYCWJAR-STQMWFEESA-N -1 1 388.386 2.480 20 0 GEADMM Cc1cc(C)n(Cc2ccc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc2)n1 ZINC000630222676 601091416 /nfs/dbraw/zinc/09/14/16/601091416.db2.gz HVZZURQVROKFJV-INIZCTEOSA-N -1 1 384.480 2.169 20 0 GEADMM CC(C)N(CCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000827362098 601091975 /nfs/dbraw/zinc/09/19/75/601091975.db2.gz HSBAAXJXUGDOSE-OAHLLOKOSA-N -1 1 385.505 2.029 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630225038 601095598 /nfs/dbraw/zinc/09/55/98/601095598.db2.gz SDLCMKOPIHQIKF-HNNXBMFYSA-N -1 1 384.480 2.039 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000630225039 601095802 /nfs/dbraw/zinc/09/58/02/601095802.db2.gz SDLCMKOPIHQIKF-OAHLLOKOSA-N -1 1 384.480 2.039 20 0 GEADMM CC(=O)c1cccc(OCCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000630222273 601099939 /nfs/dbraw/zinc/09/99/39/601099939.db2.gz FWLWNSVITHKEFT-HNNXBMFYSA-N -1 1 376.453 2.056 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2OCc2cscn2)CC1 ZINC000630225464 601101816 /nfs/dbraw/zinc/10/18/16/601101816.db2.gz ULBSBSKCIJHDFH-CQSZACIVSA-N -1 1 389.477 2.343 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832699951 601102670 /nfs/dbraw/zinc/10/26/70/601102670.db2.gz SWAPSMUCCMYWDM-CQSZACIVSA-N -1 1 385.344 2.319 20 0 GEADMM Cc1ccccc1-n1nc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c2c1CCC2 ZINC000630225806 601103782 /nfs/dbraw/zinc/10/37/82/601103782.db2.gz XKAMKHFFYOPJAZ-INIZCTEOSA-N -1 1 396.491 2.290 20 0 GEADMM Cc1cc(C)n(-c2ccc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2F)n1 ZINC000630225327 601105199 /nfs/dbraw/zinc/10/51/99/601105199.db2.gz QUHFQMDAMLBJLM-CQSZACIVSA-N -1 1 388.443 2.249 20 0 GEADMM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000831579185 601133364 /nfs/dbraw/zinc/13/33/64/601133364.db2.gz WSWMIFHKUHEDTL-KRWDZBQOSA-N -1 1 381.429 2.357 20 0 GEADMM NC(=O)C1(NCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCCCC1 ZINC000833083041 601133889 /nfs/dbraw/zinc/13/38/89/601133889.db2.gz VXJREHXZINZOAP-UHFFFAOYSA-N -1 1 379.482 2.041 20 0 GEADMM Cc1ccnc(-c2ccc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc2)n1 ZINC000832983430 601134392 /nfs/dbraw/zinc/13/43/92/601134392.db2.gz WPVDWUBLPIEOMT-HNNXBMFYSA-N -1 1 383.452 2.465 20 0 GEADMM Cc1nn(-c2ccc(C(=O)OCCc3c[nH]nn3)cc2)c(C)c1CCC(=O)[O-] ZINC000833012812 601143066 /nfs/dbraw/zinc/14/30/66/601143066.db2.gz WDHCUPGZVALADA-UHFFFAOYSA-N -1 1 383.408 2.024 20 0 GEADMM Cc1nn(-c2ccc(C(=O)OCCc3cnn[nH]3)cc2)c(C)c1CCC(=O)[O-] ZINC000833012812 601143069 /nfs/dbraw/zinc/14/30/69/601143069.db2.gz WDHCUPGZVALADA-UHFFFAOYSA-N -1 1 383.408 2.024 20 0 GEADMM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832939314 601157385 /nfs/dbraw/zinc/15/73/85/601157385.db2.gz DEWOVTUAZGGOPF-QGZVFWFLSA-N -1 1 381.432 2.022 20 0 GEADMM CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccco1 ZINC000829666549 601163254 /nfs/dbraw/zinc/16/32/54/601163254.db2.gz KUZNQACCOZUGCJ-MRXNPFEDSA-N -1 1 387.436 2.424 20 0 GEADMM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830596290 601223984 /nfs/dbraw/zinc/22/39/84/601223984.db2.gz HNOYWGCAOJQPRA-ADYSOMBNSA-N -1 1 388.489 2.236 20 0 GEADMM CN1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000830934587 601225175 /nfs/dbraw/zinc/22/51/75/601225175.db2.gz ICHXKQFPCRGYSR-LSDHHAIUSA-N -1 1 394.269 2.137 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCCC[C@H]1C ZINC000828258878 601231677 /nfs/dbraw/zinc/23/16/77/601231677.db2.gz UUFQSDOIUKXTPS-MNOVXSKESA-N -1 1 376.425 2.204 20 0 GEADMM CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830596644 601232868 /nfs/dbraw/zinc/23/28/68/601232868.db2.gz XZPUCNQULVGEAB-ZDUSSCGKSA-N -1 1 398.431 2.114 20 0 GEADMM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000829160270 601270517 /nfs/dbraw/zinc/27/05/17/601270517.db2.gz GNKKHFLKTILYKT-GJZGRUSLSA-N -1 1 375.469 2.242 20 0 GEADMM COc1cc(NC(=O)CSc2n[nH]c(=S)s2)c(C(=O)[O-])cc1OC ZINC000832022134 601274551 /nfs/dbraw/zinc/27/45/51/601274551.db2.gz GOUDAAFWCGRPOK-UHFFFAOYSA-N -1 1 387.464 2.273 20 0 GEADMM O=C([O-])[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1cc(F)ccc1F ZINC000833115879 601281366 /nfs/dbraw/zinc/28/13/66/601281366.db2.gz GNWQRMAVKMYECJ-SECBINFHSA-N -1 1 377.419 2.139 20 0 GEADMM Cc1ccc([C@H](CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C(=O)[O-])cc1 ZINC000832922201 601314608 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C[C@H](NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000827644732 601493255 /nfs/dbraw/zinc/49/32/55/601493255.db2.gz GJEQBYBRXVMHTF-ZQIUZPCESA-N -1 1 392.475 2.001 20 0 GEADMM CCC1CCC(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)(C(=O)[O-])CC1 ZINC000829107805 601495468 /nfs/dbraw/zinc/49/54/68/601495468.db2.gz PNIVOBRKSFTLAH-UHFFFAOYSA-N -1 1 375.469 2.340 20 0 GEADMM Cc1ccc([C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)N2CCCC2)cc1 ZINC000832924423 601511554 /nfs/dbraw/zinc/51/15/54/601511554.db2.gz VTWJMZHWMKFDDJ-QGZVFWFLSA-N -1 1 380.510 2.306 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000828295255 601518767 /nfs/dbraw/zinc/51/87/67/601518767.db2.gz CLHVSZQLIDXIJG-INIZCTEOSA-N -1 1 380.510 2.168 20 0 GEADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829873042 601525813 /nfs/dbraw/zinc/52/58/13/601525813.db2.gz JFMDYBNQTMKWLM-MJVIPROJSA-N -1 1 382.482 2.467 20 0 GEADMM CN(C)Cc1ccsc1C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830624027 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385.351 2.264 20 0 GEADMM COC(=O)[C@]1(NC(=O)c2cccc(C(=O)[O-])c2)CCCN(Cc2ccccc2)C1 ZINC000831093593 601734074 /nfs/dbraw/zinc/73/40/74/601734074.db2.gz JHIMGNYLCBWPLE-QFIPXVFZSA-N -1 1 396.443 2.322 20 0 GEADMM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000484559509 601782179 /nfs/dbraw/zinc/78/21/79/601782179.db2.gz QCHBJSZPVQCMRG-UHFFFAOYSA-N -1 1 384.413 2.455 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828450446 601812555 /nfs/dbraw/zinc/81/25/55/601812555.db2.gz PTCYIHVHHGHNDZ-OMXAPOSASA-N -1 1 399.369 2.082 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828450439 601812634 /nfs/dbraw/zinc/81/26/34/601812634.db2.gz PTCYIHVHHGHNDZ-ANTHHZPCSA-N -1 1 399.369 2.082 20 0 GEADMM CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000830596405 601836020 /nfs/dbraw/zinc/83/60/20/601836020.db2.gz LPMOORKXFMSYIG-AWEZNQCLSA-N -1 1 396.896 2.489 20 0 GEADMM Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cc2)n[nH]1 ZINC000832989577 601839817 /nfs/dbraw/zinc/83/98/17/601839817.db2.gz CKNDZRJZOQCSQP-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM COC(=O)CCC1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000831151918 601842394 /nfs/dbraw/zinc/84/23/94/601842394.db2.gz FLXFNYXPMNKFJV-CQSZACIVSA-N -1 1 380.466 2.217 20 0 GEADMM COC(=O)CCC1CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000831152211 601845047 /nfs/dbraw/zinc/84/50/47/601845047.db2.gz OTPFILDUOCPDQF-UHFFFAOYSA-N -1 1 377.441 2.058 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000666513415 601848221 /nfs/dbraw/zinc/84/82/21/601848221.db2.gz KLRRSWGJBKSHPH-UHFFFAOYSA-N -1 1 375.469 2.219 20 0 GEADMM CCC(CC)[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)N1CCOCC1 ZINC000666513189 601848753 /nfs/dbraw/zinc/84/87/53/601848753.db2.gz LOHRIFOJPVJIGU-SFHVURJKSA-N -1 1 377.485 2.321 20 0 GEADMM CCC(CC)[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)N1CCOCC1 ZINC000666513188 601848768 /nfs/dbraw/zinc/84/87/68/601848768.db2.gz LOHRIFOJPVJIGU-GOSISDBHSA-N -1 1 377.485 2.321 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000828029313 601886386 /nfs/dbraw/zinc/88/63/86/601886386.db2.gz YKASVHNYXZMSHI-IAGOWNOFSA-N -1 1 399.369 2.227 20 0 GEADMM CC(C)Cc1ccc([C@]2(C)NC(=O)N(CN3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000826913156 601895314 /nfs/dbraw/zinc/89/53/14/601895314.db2.gz PFCBSVDGGURIKL-SFTDATJTSA-N -1 1 387.480 2.406 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000739533802 601904718 /nfs/dbraw/zinc/90/47/18/601904718.db2.gz AEWCDHXVBCXDQK-SFHVURJKSA-N -1 1 397.479 2.389 20 0 GEADMM O=C(CN(C1CC1)C1CCN(C(=O)[O-])CC1)Nc1ccc2c(c1)OCCCO2 ZINC000740364259 601932713 /nfs/dbraw/zinc/93/27/13/601932713.db2.gz DDKNKXIJFCOZBB-UHFFFAOYSA-N -1 1 389.452 2.393 20 0 GEADMM CCOc1ccc([C@H]2CCCN2C(=O)CN2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000739496556 601939156 /nfs/dbraw/zinc/93/91/56/601939156.db2.gz HUVRTDICIUBFPD-CRAIPNDOSA-N 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ZINC000824844000 607538562 /nfs/dbraw/zinc/53/85/62/607538562.db2.gz MDPPEEDQQADBGA-OAQYLSRUSA-N -1 1 399.414 2.382 20 0 GEADMM C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844000 607538564 /nfs/dbraw/zinc/53/85/64/607538564.db2.gz MDPPEEDQQADBGA-OAQYLSRUSA-N -1 1 399.414 2.382 20 0 GEADMM O=C([O-])N1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740415291 602013040 /nfs/dbraw/zinc/01/30/40/602013040.db2.gz NHUOPOJWGPWANX-INIZCTEOSA-N -1 1 392.475 2.479 20 0 GEADMM COc1cc(Br)c(C=O)cc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826176802 607539213 /nfs/dbraw/zinc/53/92/13/607539213.db2.gz DWOHIRXSIWUDCX-UHFFFAOYSA-N -1 1 390.197 2.424 20 0 GEADMM COc1cc(Br)c(C=O)cc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826176802 607539215 /nfs/dbraw/zinc/53/92/15/607539215.db2.gz DWOHIRXSIWUDCX-UHFFFAOYSA-N -1 1 390.197 2.424 20 0 GEADMM Cc1nnc([C@@H]2CN(C(=O)c3cc(NC(=O)[O-])cc(C(F)(F)F)c3)CCO2)[nH]1 ZINC000832991932 602020855 /nfs/dbraw/zinc/02/08/55/602020855.db2.gz SCSJRABMWUUKEK-LBPRGKRZSA-N 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CN(C)[C@@H](CNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739642147 602061977 /nfs/dbraw/zinc/06/19/77/602061977.db2.gz MXEBPZILXGIFFT-PBHICJAKSA-N -1 1 380.464 2.460 20 0 GEADMM CN1CCN(C[C@H](NC(=O)Cc2ccc(NC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000739736265 602103031 /nfs/dbraw/zinc/10/30/31/602103031.db2.gz DKNQGVYXQNMBMS-FQEVSTJZSA-N -1 1 396.491 2.424 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000739226862 602116176 /nfs/dbraw/zinc/11/61/76/602116176.db2.gz CIABLDHSWATHFU-QAPCUYQASA-N -1 1 377.485 2.412 20 0 GEADMM CC(C)[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)N(C)C ZINC000736350305 602156229 /nfs/dbraw/zinc/15/62/29/602156229.db2.gz XIKWQBIBBSIZBA-DLBZAZTESA-N -1 1 375.469 2.291 20 0 GEADMM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)nc2)c1 ZINC000222063445 602157334 /nfs/dbraw/zinc/15/73/34/602157334.db2.gz VGONPROSGZCZAK-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM COc1ccc(C(=O)N2CCCC2)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826187463 607549026 /nfs/dbraw/zinc/54/90/26/607549026.db2.gz RCQNOBBFKTUCFJ-UHFFFAOYSA-N -1 1 379.424 2.118 20 0 GEADMM COc1ccc(C(=O)N2CCCC2)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826187463 607549029 /nfs/dbraw/zinc/54/90/29/607549029.db2.gz RCQNOBBFKTUCFJ-UHFFFAOYSA-N -1 1 379.424 2.118 20 0 GEADMM CN(Cc1cc(Br)cn1C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000830805854 602247817 /nfs/dbraw/zinc/24/78/17/602247817.db2.gz CCFBBFLWUBAHNQ-OAHLLOKOSA-N -1 1 397.269 2.358 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])N1CCN(C)CC1 ZINC000738783034 602278293 /nfs/dbraw/zinc/27/82/93/602278293.db2.gz JNRBFVBXHZTHRS-SFHVURJKSA-N -1 1 389.500 2.121 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])N1CCN(C)CC1 ZINC000738783033 602278356 /nfs/dbraw/zinc/27/83/56/602278356.db2.gz JNRBFVBXHZTHRS-GOSISDBHSA-N -1 1 389.500 2.121 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739600755 602284201 /nfs/dbraw/zinc/28/42/01/602284201.db2.gz AKUUKHQJLWCBLP-GOSISDBHSA-N -1 1 396.447 2.085 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCN(C)C(=O)[O-])cc1 ZINC000740143904 602296426 /nfs/dbraw/zinc/29/64/26/602296426.db2.gz PECVUCRNSGWKKW-UHFFFAOYSA-N -1 1 397.478 2.197 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739027382 602304177 /nfs/dbraw/zinc/30/41/77/602304177.db2.gz RKTKICUZSUZZLJ-LBPRGKRZSA-N -1 1 395.419 2.430 20 0 GEADMM O=C([O-])C1CCN(C(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000833190030 602346126 /nfs/dbraw/zinc/34/61/26/602346126.db2.gz IAYDYVNXQCNHNR-IAGOWNOFSA-N -1 1 378.469 2.271 20 0 GEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000736815673 602389744 /nfs/dbraw/zinc/38/97/44/602389744.db2.gz VRRACLKPPLHOPK-RKVPGOIHSA-N -1 1 377.485 2.204 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000739016075 602443735 /nfs/dbraw/zinc/44/37/35/602443735.db2.gz QYAATYCJHDIPJV-AWEZNQCLSA-N -1 1 384.498 2.227 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000739017001 602444678 /nfs/dbraw/zinc/44/46/78/602444678.db2.gz SYPIHULVDYRJTD-GRDNDAEWSA-N -1 1 375.469 2.383 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)cc1OC ZINC000739909242 602445016 /nfs/dbraw/zinc/44/50/16/602445016.db2.gz PDLQMWZCTLYOBX-CQSZACIVSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000739017875 602445496 /nfs/dbraw/zinc/44/54/96/602445496.db2.gz YJLKESFKWODOPN-NEPJUHHUSA-N -1 1 380.420 2.230 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000740172995 602449585 /nfs/dbraw/zinc/44/95/85/602449585.db2.gz LVGWNYJTFDDGMF-CVEARBPZSA-N -1 1 377.485 2.247 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1CCCCN1C(=O)[O-])N1CCCC1 ZINC000739964119 602493280 /nfs/dbraw/zinc/49/32/80/602493280.db2.gz PLLREFSPVUTGNO-SJORKVTESA-N -1 1 375.469 2.481 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000824029687 607571596 /nfs/dbraw/zinc/57/15/96/607571596.db2.gz PMZZAJAZUOQWNE-UHFFFAOYSA-N -1 1 378.797 2.490 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000824029405 607571737 /nfs/dbraw/zinc/57/17/37/607571737.db2.gz JTDBVTGTCWEBMP-UHFFFAOYSA-N -1 1 378.797 2.490 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000824029405 607571740 /nfs/dbraw/zinc/57/17/40/607571740.db2.gz JTDBVTGTCWEBMP-UHFFFAOYSA-N -1 1 378.797 2.490 20 0 GEADMM COc1cc(C=O)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826178862 607571836 /nfs/dbraw/zinc/57/18/36/607571836.db2.gz PEELAXHNKLGOQB-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM COc1cc(C=O)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826178862 607571837 /nfs/dbraw/zinc/57/18/37/607571837.db2.gz PEELAXHNKLGOQB-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826203293 607573567 /nfs/dbraw/zinc/57/35/67/607573567.db2.gz ICQJRBMPPYQLLG-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826203293 607573568 /nfs/dbraw/zinc/57/35/68/607573568.db2.gz ICQJRBMPPYQLLG-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM O=C([O-])N1CC[C@H](NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000740401874 602579905 /nfs/dbraw/zinc/57/99/05/602579905.db2.gz VKESZNHEJGLFHA-INIZCTEOSA-N -1 1 380.876 2.356 20 0 GEADMM CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000823967825 607574623 /nfs/dbraw/zinc/57/46/23/607574623.db2.gz PYBZEMHBYFVPKO-UHFFFAOYSA-N -1 1 390.396 2.295 20 0 GEADMM CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000823967825 607574624 /nfs/dbraw/zinc/57/46/24/607574624.db2.gz PYBZEMHBYFVPKO-UHFFFAOYSA-N -1 1 390.396 2.295 20 0 GEADMM O=C([O-])NCc1cccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000740675264 602593596 /nfs/dbraw/zinc/59/35/96/602593596.db2.gz AKMOTZYGKZPYOL-UHFFFAOYSA-N -1 1 381.392 2.089 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117286 602629876 /nfs/dbraw/zinc/62/98/76/602629876.db2.gz JQOAJJRQTLKTAB-HZPDHXFCSA-N -1 1 378.473 2.366 20 0 GEADMM CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000738557017 602652646 /nfs/dbraw/zinc/65/26/46/602652646.db2.gz XGEKOSRSHQMBMJ-UHFFFAOYSA-N -1 1 377.422 2.256 20 0 GEADMM CS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])ccc1F ZINC000739994068 602652949 /nfs/dbraw/zinc/65/29/49/602652949.db2.gz ADURCAOGEOWHFL-UHFFFAOYSA-N -1 1 388.398 2.120 20 0 GEADMM O=C([O-])NC1(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCCCC1 ZINC000740547702 602669378 /nfs/dbraw/zinc/66/93/78/602669378.db2.gz LRXBMRLDCYBDLC-UHFFFAOYSA-N -1 1 390.419 2.381 20 0 GEADMM O=C([O-])NC1(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCCCC1 ZINC000740547702 602669381 /nfs/dbraw/zinc/66/93/81/602669381.db2.gz LRXBMRLDCYBDLC-UHFFFAOYSA-N -1 1 390.419 2.381 20 0 GEADMM O=S(=O)(NCCCOC1CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490988 607580738 /nfs/dbraw/zinc/58/07/38/607580738.db2.gz PIGNVUCQEZLUIZ-UHFFFAOYSA-N -1 1 383.449 2.024 20 0 GEADMM COc1c(C=O)cccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826167037 607581380 /nfs/dbraw/zinc/58/13/80/607581380.db2.gz MVCYCNDYGIPDCQ-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM O=S(=O)(NCCCCc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490678 607582809 /nfs/dbraw/zinc/58/28/09/607582809.db2.gz DCAPDMGZGDIFIN-UHFFFAOYSA-N -1 1 375.429 2.307 20 0 GEADMM O=S(=O)(NCCCCc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490678 607582810 /nfs/dbraw/zinc/58/28/10/607582810.db2.gz DCAPDMGZGDIFIN-UHFFFAOYSA-N -1 1 375.429 2.307 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCN(C(=O)[O-])C[C@H]1C)N1CCCC1 ZINC000739964127 602754221 /nfs/dbraw/zinc/75/42/21/602754221.db2.gz POXAXFSFZPRVFM-NVXWUHKLSA-N -1 1 390.484 2.226 20 0 GEADMM O=S(=O)(N[C@H]1CCCc2occc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488623 607584454 /nfs/dbraw/zinc/58/44/54/607584454.db2.gz UXWDIDAXZNCZJH-NSHDSACASA-N -1 1 379.829 2.469 20 0 GEADMM O=S(=O)(N[C@H]1CCCc2occc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488623 607584456 /nfs/dbraw/zinc/58/44/56/607584456.db2.gz UXWDIDAXZNCZJH-NSHDSACASA-N -1 1 379.829 2.469 20 0 GEADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739441504 602765281 /nfs/dbraw/zinc/76/52/81/602765281.db2.gz NLUDFFLDDLKQTR-ZBFHGGJFSA-N -1 1 393.484 2.030 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739901105 602785669 /nfs/dbraw/zinc/78/56/69/602785669.db2.gz BGLRVEPTWDFYOK-YCPHGPKFSA-N -1 1 393.484 2.029 20 0 GEADMM C[C@H]1CN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739174548 602796702 /nfs/dbraw/zinc/79/67/02/602796702.db2.gz PGRSWMDQCAIUFH-WMLDXEAASA-N -1 1 381.448 2.031 20 0 GEADMM CN(C)Cc1cc(CNC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)ccc1F ZINC000739610071 602808153 /nfs/dbraw/zinc/80/81/53/602808153.db2.gz KJQREVIMXUTSRG-AWEZNQCLSA-N -1 1 380.464 2.467 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000740079560 602880561 /nfs/dbraw/zinc/88/05/61/602880561.db2.gz INSHTGBBTSSSGM-MRXNPFEDSA-N -1 1 389.500 2.401 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NOCc2cccnc2)c1-c1nn[n-]n1 ZINC000826231453 607593791 /nfs/dbraw/zinc/59/37/91/607593791.db2.gz LYSOIOWLCGFVOY-UHFFFAOYSA-N -1 1 383.437 2.118 20 0 GEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC[C@H]1NC(=O)[O-] ZINC000739131920 602930349 /nfs/dbraw/zinc/93/03/49/602930349.db2.gz DRRRLAMEWAEQQO-BZUAXINKSA-N -1 1 378.473 2.494 20 0 GEADMM O=C(CSc1cnc2ccccc2n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826421053 607596552 /nfs/dbraw/zinc/59/65/52/607596552.db2.gz PLFFLRGCYFYFNU-UHFFFAOYSA-N -1 1 379.405 2.040 20 0 GEADMM O=C(CSc1cnc2ccccc2n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826421053 607596553 /nfs/dbraw/zinc/59/65/53/607596553.db2.gz PLFFLRGCYFYFNU-UHFFFAOYSA-N -1 1 379.405 2.040 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945242 602955614 /nfs/dbraw/zinc/95/56/14/602955614.db2.gz IXUBFYUCPQXIKH-NVXWUHKLSA-N -1 1 378.473 2.130 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824427809 607596994 /nfs/dbraw/zinc/59/69/94/607596994.db2.gz PHSKTQKCXGYMKQ-JTQLQIEISA-N -1 1 379.392 2.227 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824427809 607596996 /nfs/dbraw/zinc/59/69/96/607596996.db2.gz PHSKTQKCXGYMKQ-JTQLQIEISA-N -1 1 379.392 2.227 20 0 GEADMM COCc1cccc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000826164970 607598448 /nfs/dbraw/zinc/59/84/48/607598448.db2.gz ZAWVUTBOPNFXBJ-UHFFFAOYSA-N -1 1 397.435 2.407 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])CCCCC2)CCO1 ZINC000739063295 602992817 /nfs/dbraw/zinc/99/28/17/602992817.db2.gz JQVTXZXCWYFDBH-CVEARBPZSA-N -1 1 381.517 2.353 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826483919 607599543 /nfs/dbraw/zinc/59/95/43/607599543.db2.gz GCXLOGCTLZMJAJ-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826483919 607599544 /nfs/dbraw/zinc/59/95/44/607599544.db2.gz GCXLOGCTLZMJAJ-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=S(=O)(NCCc1ccccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491757 607599754 /nfs/dbraw/zinc/59/97/54/607599754.db2.gz ZKPWCCYYBJQJHH-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=S(=O)(NCCc1ccccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491757 607599755 /nfs/dbraw/zinc/59/97/55/607599755.db2.gz ZKPWCCYYBJQJHH-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1 ZINC000739906816 603017044 /nfs/dbraw/zinc/01/70/44/603017044.db2.gz NREYDCKTBQSFIB-ZWKOTPCHSA-N -1 1 375.469 2.166 20 0 GEADMM Cc1cc(C)c(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826263323 607601234 /nfs/dbraw/zinc/60/12/34/607601234.db2.gz VSLVQTMDVPQGGM-UHFFFAOYSA-N -1 1 375.429 2.410 20 0 GEADMM Cc1cc(C)c(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826263323 607601235 /nfs/dbraw/zinc/60/12/35/607601235.db2.gz VSLVQTMDVPQGGM-UHFFFAOYSA-N -1 1 375.429 2.410 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)N1CCN(C)CC1 ZINC000738783901 603033659 /nfs/dbraw/zinc/03/36/59/603033659.db2.gz WOIZUSUNUJHUEO-MRXNPFEDSA-N -1 1 381.452 2.309 20 0 GEADMM C[C@H](CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824400176 607602875 /nfs/dbraw/zinc/60/28/75/607602875.db2.gz BPWHALJFZCGLSQ-GFCCVEGCSA-N -1 1 375.429 2.478 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cc3ccc4c(c3)CCO4)cc2)n1 ZINC000740681312 603057460 /nfs/dbraw/zinc/05/74/60/603057460.db2.gz FHRYFMXVUQWCCB-UHFFFAOYSA-N -1 1 393.403 2.355 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cc3ccc4c(c3)CCO4)cc2)n[nH]1 ZINC000740681312 603057465 /nfs/dbraw/zinc/05/74/65/603057465.db2.gz FHRYFMXVUQWCCB-UHFFFAOYSA-N -1 1 393.403 2.355 20 0 GEADMM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000740465095 603070095 /nfs/dbraw/zinc/07/00/95/603070095.db2.gz LTDFUICDOMDTSN-CJNGLKHVSA-N -1 1 384.367 2.421 20 0 GEADMM CCc1nnc([C@@H]2CN(C(=O)CC[C@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827619738 603075724 /nfs/dbraw/zinc/07/57/24/603075724.db2.gz AGTQIXJJRQSJIF-GJZGRUSLSA-N -1 1 387.440 2.056 20 0 GEADMM Cc1csc(CCCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000826321236 607605287 /nfs/dbraw/zinc/60/52/87/607605287.db2.gz WMCNSRQHVWKQBX-UHFFFAOYSA-N -1 1 396.473 2.072 20 0 GEADMM CC(=O)Nc1ccc(C)cc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823999978 607608081 /nfs/dbraw/zinc/60/80/81/607608081.db2.gz PKLVEFYIIIYGRR-UHFFFAOYSA-N -1 1 387.421 2.210 20 0 GEADMM C[C@](O)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824670362 607608195 /nfs/dbraw/zinc/60/81/95/607608195.db2.gz MQGFSNCLSWFHDU-MRXNPFEDSA-N -1 1 393.325 2.231 20 0 GEADMM C[C@](O)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824670362 607608196 /nfs/dbraw/zinc/60/81/96/607608196.db2.gz MQGFSNCLSWFHDU-MRXNPFEDSA-N -1 1 393.325 2.231 20 0 GEADMM C[C@H](NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000738952070 603178530 /nfs/dbraw/zinc/17/85/30/603178530.db2.gz SDHWQPNDUYJOLZ-NSHDSACASA-N -1 1 393.875 2.468 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740079937 603185019 /nfs/dbraw/zinc/18/50/19/603185019.db2.gz MLVHSDHLEFXGRY-YJBOKZPZSA-N -1 1 389.500 2.257 20 0 GEADMM COc1ccc([C@@H](CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739893831 603204238 /nfs/dbraw/zinc/20/42/38/603204238.db2.gz CFFTUPCGJQMVSP-SJLPKXTDSA-N -1 1 375.469 2.338 20 0 GEADMM O=S(=O)(NCCc1cccc(F)c1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491284 607614223 /nfs/dbraw/zinc/61/42/23/607614223.db2.gz AVQHAEABJBBMAO-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=S(=O)(NCCc1cccc(F)c1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491284 607614224 /nfs/dbraw/zinc/61/42/24/607614224.db2.gz AVQHAEABJBBMAO-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739456151 603235056 /nfs/dbraw/zinc/23/50/56/603235056.db2.gz MTEACESNLWVPPY-HUUCEWRRSA-N -1 1 392.475 2.145 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)C[C@@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000829592304 603235221 /nfs/dbraw/zinc/23/52/21/603235221.db2.gz PNTJVVLYXTXSRO-DOTOQJQBSA-N -1 1 375.469 2.481 20 0 GEADMM CN(CCCNC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000739677348 603249066 /nfs/dbraw/zinc/24/90/66/603249066.db2.gz XIKKURDWCZHOEC-MRXNPFEDSA-N -1 1 391.468 2.101 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000738824604 603268190 /nfs/dbraw/zinc/26/81/90/603268190.db2.gz KBDNYMAHKPIFJG-HOTGVXAUSA-N -1 1 383.876 2.122 20 0 GEADMM CC(C)(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824079952 607618135 /nfs/dbraw/zinc/61/81/35/607618135.db2.gz TURGHOFUDIKRNV-NHYWBVRUSA-N -1 1 397.476 2.125 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000829361909 603284797 /nfs/dbraw/zinc/28/47/97/603284797.db2.gz HPLYYPUBICTXPA-KRWDZBQOSA-N -1 1 375.469 2.262 20 0 GEADMM O=C([O-])N1CC[C@H](C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)C1 ZINC000740476462 603292751 /nfs/dbraw/zinc/29/27/51/603292751.db2.gz PCDVGODEKUJTFF-ZDUSSCGKSA-N -1 1 389.433 2.426 20 0 GEADMM O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487222 607620248 /nfs/dbraw/zinc/62/02/48/607620248.db2.gz IBASJKJDCDQWFD-HNNXBMFYSA-N -1 1 387.440 2.305 20 0 GEADMM O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487222 607620250 /nfs/dbraw/zinc/62/02/50/607620250.db2.gz IBASJKJDCDQWFD-HNNXBMFYSA-N -1 1 387.440 2.305 20 0 GEADMM COc1ccnc(N2CCN(C(=O)Nc3cccc(CNC(=O)[O-])c3)CC2)c1 ZINC000739983667 603329133 /nfs/dbraw/zinc/32/91/33/603329133.db2.gz HGGIFMWMWGYYBQ-UHFFFAOYSA-N -1 1 385.424 2.212 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1)C(=O)[O-] ZINC000739443114 603346249 /nfs/dbraw/zinc/34/62/49/603346249.db2.gz OKZXLJJRRHYJKM-QZTJIDSGSA-N -1 1 390.484 2.249 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCN(CC(C)(C)O)CC2)c1)C(=O)[O-] ZINC000739444240 603346376 /nfs/dbraw/zinc/34/63/76/603346376.db2.gz WPYMBNDLOAREIU-UHFFFAOYSA-N -1 1 378.473 2.107 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000739446910 603356376 /nfs/dbraw/zinc/35/63/76/603356376.db2.gz NCPDTVGAHHVJBX-UHFFFAOYSA-N -1 1 378.473 2.107 20 0 GEADMM C[C@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823669508 603426361 /nfs/dbraw/zinc/42/63/61/603426361.db2.gz OGCUDYYNTMZARV-WDSOQIARSA-N -1 1 389.496 2.345 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824640370 607629552 /nfs/dbraw/zinc/62/95/52/607629552.db2.gz HJGJOZJFPABPJI-SECBINFHSA-N -1 1 379.829 2.265 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826057686 603469516 /nfs/dbraw/zinc/46/95/16/603469516.db2.gz JTSLBJDUWZLJLL-WTLGNFPFSA-N -1 1 389.496 2.348 20 0 GEADMM O=C([O-])N[C@H](CCC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000832118715 603476073 /nfs/dbraw/zinc/47/60/73/603476073.db2.gz BWDPICVKOKYCGG-GOSISDBHSA-N -1 1 375.469 2.099 20 0 GEADMM O=C([O-])NC[C@H](NC(=O)CSc1n[nH]c(=S)s1)C1CCCCC1 ZINC000832422605 603491483 /nfs/dbraw/zinc/49/14/83/603491483.db2.gz XNFBEHSABZGPRS-VIFPVBQESA-N -1 1 376.529 2.252 20 0 GEADMM COc1cccc(CNC(=O)CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829558609 603552080 /nfs/dbraw/zinc/55/20/80/603552080.db2.gz BUOZJKLCNOKUJP-ROUUACIJSA-N -1 1 375.469 2.308 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000825426536 603558011 /nfs/dbraw/zinc/55/80/11/603558011.db2.gz GFLBYKXPXKDEMO-AWEZNQCLSA-N -1 1 376.457 2.344 20 0 GEADMM COc1cc(NC(=O)CCN2CCN(C(=O)[O-])[C@@H](C)C2)c(OC)cc1Cl ZINC000829153856 603568907 /nfs/dbraw/zinc/56/89/07/603568907.db2.gz QZWDVSGHAQTXAO-NSHDSACASA-N -1 1 385.848 2.370 20 0 GEADMM CC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)CC1 ZINC000826674530 603605932 /nfs/dbraw/zinc/60/59/32/603605932.db2.gz AHGPBWRNZWUNNU-CLCXKQKWSA-N -1 1 380.489 2.204 20 0 GEADMM O=S(=O)(NC1(c2cccc(F)c2)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488566 607640062 /nfs/dbraw/zinc/64/00/62/607640062.db2.gz SZQGRAMGYKFJDY-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM O=S(=O)(NCC1(c2cccc(F)c2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490279 607640449 /nfs/dbraw/zinc/64/04/49/607640449.db2.gz OYSFDUSNWTVIMM-UHFFFAOYSA-N -1 1 391.403 2.155 20 0 GEADMM O=S(=O)(NCC1(c2cccc(F)c2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490279 607640451 /nfs/dbraw/zinc/64/04/51/607640451.db2.gz OYSFDUSNWTVIMM-UHFFFAOYSA-N -1 1 391.403 2.155 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])[nH]c2c1 ZINC000830432363 603620707 /nfs/dbraw/zinc/62/07/07/603620707.db2.gz DXSJJRAYPIPVGL-UHFFFAOYSA-N -1 1 393.403 2.167 20 0 GEADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000827847168 603628800 /nfs/dbraw/zinc/62/88/00/603628800.db2.gz UYIUSYSVEWQUQF-QGZVFWFLSA-N -1 1 378.448 2.184 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(C)(C)CNC(=O)[O-] ZINC000827417620 603695004 /nfs/dbraw/zinc/69/50/04/603695004.db2.gz BNRCLCCMHLPSAV-UHFFFAOYSA-N -1 1 378.473 2.069 20 0 GEADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC000825582059 607646760 /nfs/dbraw/zinc/64/67/60/607646760.db2.gz GXGDLTZAKZKLPW-STQMWFEESA-N -1 1 397.888 2.146 20 0 GEADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC000825582059 607646762 /nfs/dbraw/zinc/64/67/62/607646762.db2.gz GXGDLTZAKZKLPW-STQMWFEESA-N -1 1 397.888 2.146 20 0 GEADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC000825582056 607646878 /nfs/dbraw/zinc/64/68/78/607646878.db2.gz GXGDLTZAKZKLPW-OLZOCXBDSA-N -1 1 397.888 2.146 20 0 GEADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC000825582056 607646880 /nfs/dbraw/zinc/64/68/80/607646880.db2.gz GXGDLTZAKZKLPW-OLZOCXBDSA-N -1 1 397.888 2.146 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])cc1OC ZINC000829358195 603722308 /nfs/dbraw/zinc/72/23/08/603722308.db2.gz WNXQMRGITXTLRC-ZBFHGGJFSA-N -1 1 393.484 2.030 20 0 GEADMM COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H]3CCCN(C(=O)[O-])C3)C2=O)c1 ZINC000829211234 603731381 /nfs/dbraw/zinc/73/13/81/603731381.db2.gz OSGSZBVVEBDSPP-KDOFPFPSSA-N -1 1 391.468 2.131 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3n[nH]c4ccccc43)cc2)n1 ZINC000832730637 603736278 /nfs/dbraw/zinc/73/62/78/603736278.db2.gz WNHITEIPUVVKRH-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3n[nH]c4ccccc43)cc2)n[nH]1 ZINC000832730637 603736281 /nfs/dbraw/zinc/73/62/81/603736281.db2.gz WNHITEIPUVVKRH-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829544704 603812442 /nfs/dbraw/zinc/81/24/42/603812442.db2.gz XHNJXMCCMHCTNJ-LPHOPBHVSA-N -1 1 379.432 2.040 20 0 GEADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCCC2 ZINC000825583645 607656148 /nfs/dbraw/zinc/65/61/48/607656148.db2.gz VWININKGTRIAQQ-KGLIPLIRSA-N -1 1 395.460 2.022 20 0 GEADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCCC2 ZINC000825583645 607656149 /nfs/dbraw/zinc/65/61/49/607656149.db2.gz VWININKGTRIAQQ-KGLIPLIRSA-N -1 1 395.460 2.022 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829592016 603865196 /nfs/dbraw/zinc/86/51/96/603865196.db2.gz KMVGSQHRISFUBZ-OXJNMPFZSA-N -1 1 375.469 2.338 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])N(C)C)c1 ZINC000829543014 603888159 /nfs/dbraw/zinc/88/81/59/603888159.db2.gz CGYDCGWUHPZWPH-NVXWUHKLSA-N -1 1 378.473 2.082 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)c1 ZINC000829542724 603889876 /nfs/dbraw/zinc/88/98/76/603889876.db2.gz AZBOCUSBXOPMRS-SJLPKXTDSA-N -1 1 390.484 2.274 20 0 GEADMM O=C([O-])NC[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000832403270 603897778 /nfs/dbraw/zinc/89/77/78/603897778.db2.gz QDDXRKNMANUILL-IBGZPJMESA-N -1 1 382.464 2.214 20 0 GEADMM CCO[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCC1 ZINC000825576298 607658894 /nfs/dbraw/zinc/65/88/94/607658894.db2.gz DHDVKGAEIYBBQH-CQSZACIVSA-N -1 1 397.476 2.270 20 0 GEADMM CCO[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCC1 ZINC000825576298 607658896 /nfs/dbraw/zinc/65/88/96/607658896.db2.gz DHDVKGAEIYBBQH-CQSZACIVSA-N -1 1 397.476 2.270 20 0 GEADMM C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000825101570 603923124 /nfs/dbraw/zinc/92/31/24/603923124.db2.gz PTHOXEGURWKRRG-OOKSDGMUSA-N -1 1 393.528 2.447 20 0 GEADMM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000832349384 603939944 /nfs/dbraw/zinc/93/99/44/603939944.db2.gz DDBAHWIFFFLIDV-QZTJIDSGSA-N -1 1 381.517 2.164 20 0 GEADMM CCS[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825668783 607662619 /nfs/dbraw/zinc/66/26/19/607662619.db2.gz KBWCPIVIMGVCGA-NWDGAFQWSA-N -1 1 385.490 2.348 20 0 GEADMM CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824228453 607663631 /nfs/dbraw/zinc/66/36/31/607663631.db2.gz IMMNVJAUKQBVBD-IAQYHMDHSA-N -1 1 399.904 2.250 20 0 GEADMM CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824228453 607663633 /nfs/dbraw/zinc/66/36/33/607663633.db2.gz IMMNVJAUKQBVBD-IAQYHMDHSA-N -1 1 399.904 2.250 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000828788609 604014314 /nfs/dbraw/zinc/01/43/14/604014314.db2.gz JFGDAPHIRLEMAV-UHFFFAOYSA-N -1 1 376.390 2.315 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000827417973 604014817 /nfs/dbraw/zinc/01/48/17/604014817.db2.gz HHPGYLMOYYASMX-HOTGVXAUSA-N -1 1 390.484 2.212 20 0 GEADMM C[C@@H](NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825073910 604051949 /nfs/dbraw/zinc/05/19/49/604051949.db2.gz DNKZHQLGVXMWBZ-VLIAUNLRSA-N -1 1 392.475 2.145 20 0 GEADMM O=S(=O)(N[C@H]1COc2c1cccc2Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489368 607671442 /nfs/dbraw/zinc/67/14/42/607671442.db2.gz NOPODUFEXSWXIP-LBPRGKRZSA-N -1 1 395.803 2.071 20 0 GEADMM CC[C@H](CO)N1CCN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])CC1 ZINC000826586999 604100501 /nfs/dbraw/zinc/10/05/01/604100501.db2.gz LMIBEFFCOKQOTC-MRXNPFEDSA-N -1 1 378.473 2.107 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000825217485 604112413 /nfs/dbraw/zinc/11/24/13/604112413.db2.gz 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Cc1cc(CC(=O)Nc2ccc(C(=O)OC3CCN(C(=O)[O-])CC3)cc2)n[nH]1 ZINC000830031155 604189222 /nfs/dbraw/zinc/18/92/22/604189222.db2.gz SNGDXVBBIFTRPS-UHFFFAOYSA-N -1 1 386.408 2.199 20 0 GEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1OC ZINC000829440508 604190693 /nfs/dbraw/zinc/19/06/93/604190693.db2.gz CLPAGCIVZJHSKI-IHRRRGAJSA-N -1 1 379.457 2.399 20 0 GEADMM Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1C ZINC000830517535 604218235 /nfs/dbraw/zinc/21/82/35/604218235.db2.gz ZJNWCHICRMZTOG-GJZGRUSLSA-N -1 1 376.457 2.320 20 0 GEADMM Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1C ZINC000830517533 604218372 /nfs/dbraw/zinc/21/83/72/604218372.db2.gz ZJNWCHICRMZTOG-CABCVRRESA-N -1 1 376.457 2.320 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000825264699 604258502 /nfs/dbraw/zinc/25/85/02/604258502.db2.gz MZGOQGPASCXENA-OCCSQVGLSA-N -1 1 385.411 2.272 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)C2)c(OC)c1 ZINC000444218478 649941988 /nfs/dbraw/zinc/94/19/88/649941988.db2.gz KSELRVCVHAPVMS-STQMWFEESA-N -1 1 390.527 2.314 20 0 GEADMM COc1ccc(-c2n[nH]c(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)n2)c(OC)c1 ZINC000832134753 604300688 /nfs/dbraw/zinc/30/06/88/604300688.db2.gz XWNXVWMUGOWOOA-UHFFFAOYSA-N -1 1 385.380 2.384 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3ccc(OC)c(NC(=O)[O-])c3)CCO2)n[nH]1 ZINC000827620259 604302037 /nfs/dbraw/zinc/30/20/37/604302037.db2.gz GXCSIZXHZQPRAK-CYBMUJFWSA-N -1 1 390.400 2.071 20 0 GEADMM CCCCNC(=O)CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000829395977 604360796 /nfs/dbraw/zinc/36/07/96/604360796.db2.gz JIIICWONCDOMSL-SFHVURJKSA-N -1 1 381.904 2.390 20 0 GEADMM CCC[C@@H](NC(=O)c1cnc2ccc(Br)cc2c1O)c1nn[n-]n1 ZINC000444266277 649943929 /nfs/dbraw/zinc/94/39/29/649943929.db2.gz CRABKQXJKBXIDD-GFCCVEGCSA-N -1 1 391.229 2.075 20 0 GEADMM O=C([O-])N[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000740595849 604380163 /nfs/dbraw/zinc/38/01/63/604380163.db2.gz WLJKAEOAHGOZLK-GHMZBOCLSA-N -1 1 393.665 2.184 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@H](COC(C)C)C(=O)[O-])n2)cc1 ZINC000832907791 604453708 /nfs/dbraw/zinc/45/37/08/604453708.db2.gz MJELGTLRPOEHTQ-CQSZACIVSA-N -1 1 392.481 2.209 20 0 GEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000832040363 604500404 /nfs/dbraw/zinc/50/04/04/604500404.db2.gz DSOLUTZNUPJPGE-LSDHHAIUSA-N -1 1 377.359 2.465 20 0 GEADMM CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000266752441 604501125 /nfs/dbraw/zinc/50/11/25/604501125.db2.gz DAJZWLIHKJFVMV-SNVBAGLBSA-N -1 1 382.394 2.060 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000827948230 604528148 /nfs/dbraw/zinc/52/81/48/604528148.db2.gz AXZNUSZDHOKDNU-WFASDCNBSA-N -1 1 387.461 2.337 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)c1ccco1 ZINC000829666921 604530626 /nfs/dbraw/zinc/53/06/26/604530626.db2.gz WNIVXFGORUHZGR-LBPRGKRZSA-N -1 1 379.438 2.177 20 0 GEADMM Cc1nnc([C@@H]2CN(C(=O)N[C@H](c3ccccc3)C(C)(C)C(=O)[O-])CCO2)[nH]1 ZINC000832991940 604537829 /nfs/dbraw/zinc/53/78/29/604537829.db2.gz SDCIQJJLSCAXLI-LSDHHAIUSA-N -1 1 387.440 2.048 20 0 GEADMM O=C([O-])c1csc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000833140173 604539831 /nfs/dbraw/zinc/53/98/31/604539831.db2.gz NPPUEDVDZFRFML-OAHLLOKOSA-N -1 1 387.461 2.166 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N2CCCC2)cc1 ZINC000832241079 604540887 /nfs/dbraw/zinc/54/08/87/604540887.db2.gz IYBKWHLQAIGRCZ-WMZOPIPTSA-N -1 1 375.469 2.481 20 0 GEADMM CN(C(=O)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000833686310 604618771 /nfs/dbraw/zinc/61/87/71/604618771.db2.gz SUWXZPKWEGKIMK-QFIPXVFZSA-N -1 1 387.524 2.487 20 0 GEADMM Cc1nc(COC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)n[nH]1 ZINC000832999800 604670547 /nfs/dbraw/zinc/67/05/47/604670547.db2.gz ODGFWWRBTLVDJH-UHFFFAOYSA-N -1 1 383.408 2.290 20 0 GEADMM CSC[C@H]1CCCN1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000832758471 604701362 /nfs/dbraw/zinc/70/13/62/604701362.db2.gz GKILQWNUZGRSDY-PBHICJAKSA-N -1 1 375.494 2.107 20 0 GEADMM C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C[C@H](C)O1 ZINC000833635375 604701720 /nfs/dbraw/zinc/70/17/20/604701720.db2.gz SXTJWKWHFUXUBK-BETUJISGSA-N -1 1 391.449 2.194 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N(CCO)C1CC1 ZINC000826473058 607710001 /nfs/dbraw/zinc/71/00/01/607710001.db2.gz JATUDMMVEQEBHO-UHFFFAOYSA-N -1 1 383.383 2.395 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N(CCO)C1CC1 ZINC000826473058 607710002 /nfs/dbraw/zinc/71/00/02/607710002.db2.gz JATUDMMVEQEBHO-UHFFFAOYSA-N -1 1 383.383 2.395 20 0 GEADMM O=C([O-])CCc1csc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)n1 ZINC000833243441 604727238 /nfs/dbraw/zinc/72/72/38/604727238.db2.gz GIWOONUNQLHPPZ-UHFFFAOYSA-N -1 1 376.419 2.350 20 0 GEADMM Cc1c(CN2CCSCC2)cccc1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000829860164 604789734 /nfs/dbraw/zinc/78/97/34/604789734.db2.gz VOEKVHBGLWUNCL-MRXNPFEDSA-N -1 1 393.509 2.251 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1noc(-c2ccsc2)n1 ZINC000826294749 607715716 /nfs/dbraw/zinc/71/57/16/607715716.db2.gz AXTVTOYBONIRAT-UHFFFAOYSA-N -1 1 392.404 2.045 20 0 GEADMM CCOc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000825631874 607715985 /nfs/dbraw/zinc/71/59/85/607715985.db2.gz HVOKXVAKHBBLIF-UHFFFAOYSA-N -1 1 390.403 2.167 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nc(-c2ccsc2)no1 ZINC000826295138 607716854 /nfs/dbraw/zinc/71/68/54/607716854.db2.gz SLZWEIKWOORJRZ-UHFFFAOYSA-N -1 1 392.404 2.045 20 0 GEADMM COc1ccccc1N1C[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1=O ZINC000833736315 604869695 /nfs/dbraw/zinc/86/96/95/604869695.db2.gz FORIXYFLROBKRR-LLVKDONJSA-N -1 1 394.387 2.261 20 0 GEADMM Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n[nH]1 ZINC000832882979 604873598 /nfs/dbraw/zinc/87/35/98/604873598.db2.gz FISIJNRPNVPSNW-SECBINFHSA-N -1 1 392.481 2.461 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000833767728 604898229 /nfs/dbraw/zinc/89/82/29/604898229.db2.gz OOOFVCAPWMVFLZ-UPJWGTAASA-N -1 1 383.326 2.224 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000833767965 604899580 /nfs/dbraw/zinc/89/95/80/604899580.db2.gz VSVOEBDNBLMWQK-MJBXVCDLSA-N -1 1 378.226 2.088 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000828448779 604927711 /nfs/dbraw/zinc/92/77/11/604927711.db2.gz GVFHQLRKTIRKLU-BETUJISGSA-N -1 1 399.875 2.424 20 0 GEADMM C[C@H]1CCCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)[C@@H]1CNC(=O)[O-] ZINC000825920384 604931275 /nfs/dbraw/zinc/93/12/75/604931275.db2.gz YKOCRPVWSSTXHL-TVQRCGJNSA-N -1 1 376.438 2.132 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000833421370 604940316 /nfs/dbraw/zinc/94/03/16/604940316.db2.gz LPCJIVQQZHVFGP-ZDUSSCGKSA-N -1 1 393.509 2.025 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000833421428 604947485 /nfs/dbraw/zinc/94/74/85/604947485.db2.gz NNUFBFDWGHDBLE-OAHLLOKOSA-N -1 1 387.480 2.340 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](CNC(=O)[O-])C3CC3)n2)cc1 ZINC000830159358 604951463 /nfs/dbraw/zinc/95/14/63/604951463.db2.gz FRZZFRNEHAPNOI-CYBMUJFWSA-N -1 1 375.454 2.035 20 0 GEADMM CCCc1nc([C@H]2CN(C(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000826954019 604965966 /nfs/dbraw/zinc/96/59/66/604965966.db2.gz NOUOMLYQJOVEHP-DZGCQCFKSA-N -1 1 393.488 2.073 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)CCO2)n1 ZINC000826954019 604965969 /nfs/dbraw/zinc/96/59/69/604965969.db2.gz NOUOMLYQJOVEHP-DZGCQCFKSA-N -1 1 393.488 2.073 20 0 GEADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)C(=O)[O-] ZINC000833477573 604972630 /nfs/dbraw/zinc/97/26/30/604972630.db2.gz KGITZPKHIXCJBM-BZSNNMDCSA-N -1 1 380.460 2.329 20 0 GEADMM CC(C)c1ccc(CN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)C2CC2)cc1 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CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000833637484 605119898 /nfs/dbraw/zinc/11/98/98/605119898.db2.gz FBVOEXSRPVDVEB-IQUTYRLHSA-N -1 1 375.469 2.080 20 0 GEADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825205695 607735940 /nfs/dbraw/zinc/73/59/40/607735940.db2.gz WZAGWJIMCKNSPP-GXFFZTMASA-N -1 1 375.864 2.364 20 0 GEADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825205695 607735941 /nfs/dbraw/zinc/73/59/41/607735941.db2.gz WZAGWJIMCKNSPP-GXFFZTMASA-N -1 1 375.864 2.364 20 0 GEADMM C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833612095 605137002 /nfs/dbraw/zinc/13/70/02/605137002.db2.gz QWFQURSUTUZSOU-GJZGRUSLSA-N -1 1 380.510 2.344 20 0 GEADMM CCN1C[C@@H](C)N(C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C[C@H]1C ZINC000833657649 605165256 /nfs/dbraw/zinc/16/52/56/605165256.db2.gz NNCZMHOPKUNUBJ-NXEZZACHSA-N -1 1 383.470 2.488 20 0 GEADMM COC(=O)c1cc(NC(=O)CNC2(c3cccc(OC)c3)CC2)cc(C(=O)[O-])c1 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O=C([O-])N1CCC[C@H]1CNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000834110359 605822853 /nfs/dbraw/zinc/82/28/53/605822853.db2.gz WNPDKOPWHUORFV-LSDHHAIUSA-N -1 1 384.440 2.461 20 0 GEADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834212909 605823011 /nfs/dbraw/zinc/82/30/11/605823011.db2.gz WKUZNCCVBPFGCS-MELADBBJSA-N -1 1 376.461 2.007 20 0 GEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)cc2C1 ZINC000834121451 605878714 /nfs/dbraw/zinc/87/87/14/605878714.db2.gz RDXZKGFKJALMJQ-UHFFFAOYSA-N -1 1 387.339 2.336 20 0 GEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000833831028 605906680 /nfs/dbraw/zinc/90/66/80/605906680.db2.gz MFNIXMWLENVSNF-WCQYABFASA-N -1 1 389.374 2.179 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CN1C1CC1 ZINC000833598748 605937023 /nfs/dbraw/zinc/93/70/23/605937023.db2.gz XCBNXKYRACKBQX-GXSJLCMTSA-N -1 1 399.369 2.084 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CN1C1CC1 ZINC000833598751 605937388 /nfs/dbraw/zinc/93/73/88/605937388.db2.gz XCBNXKYRACKBQX-KOLCDFICSA-N -1 1 399.369 2.084 20 0 GEADMM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)CC1 ZINC000834114864 606027745 /nfs/dbraw/zinc/02/77/45/606027745.db2.gz GYHKJBIIRGBNMS-AWEZNQCLSA-N -1 1 392.525 2.056 20 0 GEADMM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)CC1 ZINC000834114867 606027820 /nfs/dbraw/zinc/02/78/20/606027820.db2.gz GYHKJBIIRGBNMS-CQSZACIVSA-N -1 1 392.525 2.056 20 0 GEADMM CCc1ccc(O)c(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000821486698 606053958 /nfs/dbraw/zinc/05/39/58/606053958.db2.gz JRJKYXMBGXEYHF-UHFFFAOYSA-N -1 1 382.424 2.423 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccco3)N3CCCC3)C[C@H]21 ZINC000834176924 606073925 /nfs/dbraw/zinc/07/39/25/606073925.db2.gz RJDZMCUFVHEINE-QBPKDAKJSA-N -1 1 390.484 2.494 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(Cl)cn1 ZINC000820512305 606133686 /nfs/dbraw/zinc/13/36/86/606133686.db2.gz JJRXJJMJJJXSCZ-ZETCQYMHSA-N -1 1 378.801 2.161 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(Cl)cn1 ZINC000820512305 606133688 /nfs/dbraw/zinc/13/36/88/606133688.db2.gz JJRXJJMJJJXSCZ-ZETCQYMHSA-N -1 1 378.801 2.161 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821782510 606134003 /nfs/dbraw/zinc/13/40/03/606134003.db2.gz GPHUDEOZICHASB-JTQLQIEISA-N -1 1 387.421 2.429 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821782510 606134005 /nfs/dbraw/zinc/13/40/05/606134005.db2.gz GPHUDEOZICHASB-JTQLQIEISA-N -1 1 387.421 2.429 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCN(C)c1ccccc1 ZINC000822010040 606135972 /nfs/dbraw/zinc/13/59/72/606135972.db2.gz LCHNMDODNMUPEI-UHFFFAOYSA-N -1 1 396.451 2.196 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N[C@@H](c1ccccc1)C1CC1 ZINC000823027197 606136600 /nfs/dbraw/zinc/13/66/00/606136600.db2.gz POVWQLBTXGMXOP-INIZCTEOSA-N -1 1 383.433 2.353 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N[C@@H](c1ccccc1)C1CC1 ZINC000823027197 606136602 /nfs/dbraw/zinc/13/66/02/606136602.db2.gz POVWQLBTXGMXOP-INIZCTEOSA-N -1 1 383.433 2.353 20 0 GEADMM Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822356626 606136607 /nfs/dbraw/zinc/13/66/07/606136607.db2.gz WNUPRBZFODPUKJ-GFCCVEGCSA-N -1 1 385.449 2.441 20 0 GEADMM Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822356626 606136609 /nfs/dbraw/zinc/13/66/09/606136609.db2.gz WNUPRBZFODPUKJ-GFCCVEGCSA-N -1 1 385.449 2.441 20 0 GEADMM CCN(C(C)=O)c1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821161481 606137756 /nfs/dbraw/zinc/13/77/56/606137756.db2.gz YLBGTANGURARLZ-UHFFFAOYSA-N -1 1 378.439 2.115 20 0 GEADMM CCN(C(C)=O)c1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821161481 606137758 /nfs/dbraw/zinc/13/77/58/606137758.db2.gz YLBGTANGURARLZ-UHFFFAOYSA-N -1 1 378.439 2.115 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1cccc(F)c1 ZINC000820727130 606143968 /nfs/dbraw/zinc/14/39/68/606143968.db2.gz HCNGNMMZWDURRC-ZBEGNZNMSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1cccc(F)c1 ZINC000820727130 606143970 /nfs/dbraw/zinc/14/39/70/606143970.db2.gz HCNGNMMZWDURRC-ZBEGNZNMSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820571243 606156127 /nfs/dbraw/zinc/15/61/27/606156127.db2.gz WORACRCFXUBAIN-SECBINFHSA-N -1 1 383.441 2.435 20 0 GEADMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820571243 606156129 /nfs/dbraw/zinc/15/61/29/606156129.db2.gz WORACRCFXUBAIN-SECBINFHSA-N -1 1 383.441 2.435 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822233406 606164057 /nfs/dbraw/zinc/16/40/57/606164057.db2.gz OECPBMGCLKUBNU-GOEBONIOSA-N -1 1 396.455 2.198 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822233406 606164058 /nfs/dbraw/zinc/16/40/58/606164058.db2.gz OECPBMGCLKUBNU-GOEBONIOSA-N -1 1 396.455 2.198 20 0 GEADMM CN(Cc1cc(Br)cs1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821607364 606168281 /nfs/dbraw/zinc/16/82/81/606168281.db2.gz LPOFNOOXZGLSBO-UHFFFAOYSA-N -1 1 397.262 2.088 20 0 GEADMM CN(Cc1cc(Br)cs1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821607364 606168282 /nfs/dbraw/zinc/16/82/82/606168282.db2.gz LPOFNOOXZGLSBO-UHFFFAOYSA-N -1 1 397.262 2.088 20 0 GEADMM CCc1cccc2c(CCNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)c[nH]c21 ZINC000821491890 606169717 /nfs/dbraw/zinc/16/97/17/606169717.db2.gz BBDKDKGMGSWAOR-UHFFFAOYSA-N -1 1 379.428 2.008 20 0 GEADMM CCc1cccc2c(CCNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)c[nH]c21 ZINC000821491890 606169720 /nfs/dbraw/zinc/16/97/20/606169720.db2.gz BBDKDKGMGSWAOR-UHFFFAOYSA-N -1 1 379.428 2.008 20 0 GEADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821678087 606171279 /nfs/dbraw/zinc/17/12/79/606171279.db2.gz JMQIQCPDJWDBFL-TVQRCGJNSA-N -1 1 390.835 2.151 20 0 GEADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821678087 606171280 /nfs/dbraw/zinc/17/12/80/606171280.db2.gz JMQIQCPDJWDBFL-TVQRCGJNSA-N -1 1 390.835 2.151 20 0 GEADMM CCc1nn(Cc2ncc(-c3cccc(F)c3)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517832 606171484 /nfs/dbraw/zinc/17/14/84/606171484.db2.gz OVXOJJRHKRLAEH-UHFFFAOYSA-N -1 1 395.398 2.391 20 0 GEADMM O=C(OC1CCC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823391828 606180706 /nfs/dbraw/zinc/18/07/06/606180706.db2.gz GPEFYNQSCFQOHT-UHFFFAOYSA-N -1 1 384.396 2.427 20 0 GEADMM C[C@H]1Sc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2NC1=O ZINC000820819168 606195020 /nfs/dbraw/zinc/19/50/20/606195020.db2.gz GDIYAGYECXVBKD-MRVPVSSYSA-N -1 1 382.405 2.257 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(OC[C@@H]2CCCO2)c1 ZINC000823294861 606195502 /nfs/dbraw/zinc/19/55/02/606195502.db2.gz VEOVTIVIEASHKN-HNNXBMFYSA-N -1 1 381.392 2.382 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H]1CCCN(C(C)C)C1=O ZINC000822540768 606227083 /nfs/dbraw/zinc/22/70/83/606227083.db2.gz GNJJWGQVRQMNNO-ZDUSSCGKSA-N -1 1 398.423 2.115 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H]1CCCN(C(C)C)C1=O ZINC000822540768 606227085 /nfs/dbraw/zinc/22/70/85/606227085.db2.gz GNJJWGQVRQMNNO-ZDUSSCGKSA-N -1 1 398.423 2.115 20 0 GEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1OC ZINC000821786656 606236851 /nfs/dbraw/zinc/23/68/51/606236851.db2.gz HHOVNNBMKYPMHD-VURMDHGXSA-N -1 1 386.437 2.325 20 0 GEADMM COc1ccc(C=CC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1OC ZINC000821786656 606236852 /nfs/dbraw/zinc/23/68/52/606236852.db2.gz HHOVNNBMKYPMHD-VURMDHGXSA-N -1 1 386.437 2.325 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000823290041 606294775 /nfs/dbraw/zinc/29/47/75/606294775.db2.gz SHTIFSKVQHHXGH-QWHCGFSZSA-N -1 1 379.376 2.086 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nn(-c2ccccc2)c2c1CCC2 ZINC000823294555 606294880 /nfs/dbraw/zinc/29/48/80/606294880.db2.gz GULOZNPCRMTDSY-UHFFFAOYSA-N -1 1 387.403 2.499 20 0 GEADMM CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821455818 606332762 /nfs/dbraw/zinc/33/27/62/606332762.db2.gz LXOJNOGVHPDSGQ-QWRGUYRKSA-N -1 1 387.918 2.473 20 0 GEADMM CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821455818 606332763 /nfs/dbraw/zinc/33/27/63/606332763.db2.gz LXOJNOGVHPDSGQ-QWRGUYRKSA-N -1 1 387.918 2.473 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000822605005 606346322 /nfs/dbraw/zinc/34/63/22/606346322.db2.gz UIUSDBMZFHDGEV-LJQANCHMSA-N -1 1 380.456 2.477 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000822605005 606346324 /nfs/dbraw/zinc/34/63/24/606346324.db2.gz UIUSDBMZFHDGEV-LJQANCHMSA-N -1 1 380.456 2.477 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000822486476 606381222 /nfs/dbraw/zinc/38/12/22/606381222.db2.gz LAXVUZKGJVAWQJ-AWEZNQCLSA-N -1 1 382.424 2.221 20 0 GEADMM C[C@H]1CCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000820711242 606436604 /nfs/dbraw/zinc/43/66/04/606436604.db2.gz VPQVRGCEZSZZMQ-LBPRGKRZSA-N -1 1 397.439 2.342 20 0 GEADMM CC(=O)N(c1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)s1)C1CC1 ZINC000819789597 606445769 /nfs/dbraw/zinc/44/57/69/606445769.db2.gz VLRFNGMZVBATBP-UHFFFAOYSA-N -1 1 394.873 2.433 20 0 GEADMM CC(=O)N(c1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)s1)C1CC1 ZINC000819789597 606445771 /nfs/dbraw/zinc/44/57/71/606445771.db2.gz VLRFNGMZVBATBP-UHFFFAOYSA-N -1 1 394.873 2.433 20 0 GEADMM NC(=O)C1CCN(c2cccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)c2)CC1 ZINC000822864666 606469300 /nfs/dbraw/zinc/46/93/00/606469300.db2.gz HSFZZCFPCHQVIM-UHFFFAOYSA-N -1 1 398.858 2.360 20 0 GEADMM NC(=O)C1CCN(c2cccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)c2)CC1 ZINC000822864666 606469302 /nfs/dbraw/zinc/46/93/02/606469302.db2.gz HSFZZCFPCHQVIM-UHFFFAOYSA-N -1 1 398.858 2.360 20 0 GEADMM O=S(=O)(Oc1ccc(-c2cscn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589101 606482905 /nfs/dbraw/zinc/48/29/05/606482905.db2.gz NGQROKRQXYZKLM-UHFFFAOYSA-N -1 1 386.418 2.153 20 0 GEADMM O=S(=O)(Oc1ccc(-c2cscn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589101 606482906 /nfs/dbraw/zinc/48/29/06/606482906.db2.gz NGQROKRQXYZKLM-UHFFFAOYSA-N -1 1 386.418 2.153 20 0 GEADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000821717215 606496980 /nfs/dbraw/zinc/49/69/80/606496980.db2.gz LLXFOCQMKQUQPJ-UHFFFAOYSA-N -1 1 381.364 2.468 20 0 GEADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC(F)F ZINC000821717215 606496981 /nfs/dbraw/zinc/49/69/81/606496981.db2.gz LLXFOCQMKQUQPJ-UHFFFAOYSA-N -1 1 381.364 2.468 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000822694248 606497901 /nfs/dbraw/zinc/49/79/01/606497901.db2.gz ZSSWSYVUAZJRTB-CQSZACIVSA-N -1 1 383.412 2.320 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000822694248 606497903 /nfs/dbraw/zinc/49/79/03/606497903.db2.gz ZSSWSYVUAZJRTB-CQSZACIVSA-N -1 1 383.412 2.320 20 0 GEADMM O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363600 606501233 /nfs/dbraw/zinc/50/12/33/606501233.db2.gz IFIQZOFOKZVUCH-UHFFFAOYSA-N -1 1 379.409 2.169 20 0 GEADMM O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363600 606501234 /nfs/dbraw/zinc/50/12/34/606501234.db2.gz IFIQZOFOKZVUCH-UHFFFAOYSA-N -1 1 379.409 2.169 20 0 GEADMM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822197562 606518467 /nfs/dbraw/zinc/51/84/67/606518467.db2.gz FXQZYXLHVRSVCK-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822197562 606518469 /nfs/dbraw/zinc/51/84/69/606518469.db2.gz FXQZYXLHVRSVCK-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822987377 606532972 /nfs/dbraw/zinc/53/29/72/606532972.db2.gz WXRSOFGJUVOIBP-UHFFFAOYSA-N -1 1 399.418 2.500 20 0 GEADMM O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822987377 606532973 /nfs/dbraw/zinc/53/29/73/606532973.db2.gz WXRSOFGJUVOIBP-UHFFFAOYSA-N -1 1 399.418 2.500 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939647 606537278 /nfs/dbraw/zinc/53/72/78/606537278.db2.gz HPTFOLYBOCMKFB-LLVKDONJSA-N -1 1 392.485 2.448 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939647 606537279 /nfs/dbraw/zinc/53/72/79/606537279.db2.gz HPTFOLYBOCMKFB-LLVKDONJSA-N -1 1 392.485 2.448 20 0 GEADMM O=C(CC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822940985 606544818 /nfs/dbraw/zinc/54/48/18/606544818.db2.gz LYXNHUYNWGZSFT-UHFFFAOYSA-N -1 1 388.497 2.183 20 0 GEADMM O=C(CC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822940985 606544819 /nfs/dbraw/zinc/54/48/19/606544819.db2.gz LYXNHUYNWGZSFT-UHFFFAOYSA-N -1 1 388.497 2.183 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820742714 606569455 /nfs/dbraw/zinc/56/94/55/606569455.db2.gz MINBNHXPMUEEMS-MNOVXSKESA-N -1 1 392.485 2.304 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820742714 606569457 /nfs/dbraw/zinc/56/94/57/606569457.db2.gz MINBNHXPMUEEMS-MNOVXSKESA-N -1 1 392.485 2.304 20 0 GEADMM Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000822240999 606574962 /nfs/dbraw/zinc/57/49/62/606574962.db2.gz IEEYFGPUTUUEEZ-CYBMUJFWSA-N -1 1 382.449 2.162 20 0 GEADMM Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000822240999 606574964 /nfs/dbraw/zinc/57/49/64/606574964.db2.gz IEEYFGPUTUUEEZ-CYBMUJFWSA-N -1 1 382.449 2.162 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000823478256 606582984 /nfs/dbraw/zinc/58/29/84/606582984.db2.gz ICHJMFUTMCYICV-QGZVFWFLSA-N -1 1 390.403 2.231 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000823478256 606582985 /nfs/dbraw/zinc/58/29/85/606582985.db2.gz ICHJMFUTMCYICV-QGZVFWFLSA-N -1 1 390.403 2.231 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC2(c3ccc(F)cc3)CC2)cc1-c1nn[n-]n1 ZINC000821970335 606585350 /nfs/dbraw/zinc/58/53/50/606585350.db2.gz MMFBEJZNRVFGPW-UHFFFAOYSA-N -1 1 386.412 2.247 20 0 GEADMM O=C(CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1)CCC(=O)c1cccs1 ZINC000822946628 606647206 /nfs/dbraw/zinc/64/72/06/606647206.db2.gz YYFLNJVIXZDGDX-UHFFFAOYSA-N -1 1 399.432 2.379 20 0 GEADMM O=C(CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1)CCC(=O)c1cccs1 ZINC000822946628 606647207 /nfs/dbraw/zinc/64/72/07/606647207.db2.gz YYFLNJVIXZDGDX-UHFFFAOYSA-N -1 1 399.432 2.379 20 0 GEADMM Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822500705 606648329 /nfs/dbraw/zinc/64/83/29/606648329.db2.gz CKLUGTJMFKNHJV-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822500705 606648330 /nfs/dbraw/zinc/64/83/30/606648330.db2.gz CKLUGTJMFKNHJV-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM O=C(CCCc1nnc(-c2ccccc2)o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964847 606649113 /nfs/dbraw/zinc/64/91/13/606649113.db2.gz QXMXWRCKCGWLBN-UHFFFAOYSA-N -1 1 391.391 2.378 20 0 GEADMM O=C(CCCc1nnc(-c2ccccc2)o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964847 606649114 /nfs/dbraw/zinc/64/91/14/606649114.db2.gz QXMXWRCKCGWLBN-UHFFFAOYSA-N -1 1 391.391 2.378 20 0 GEADMM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821456563 606697546 /nfs/dbraw/zinc/69/75/46/606697546.db2.gz PYKPPNKMCCLODY-MNOVXSKESA-N -1 1 380.499 2.093 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000822535326 606698390 /nfs/dbraw/zinc/69/83/90/606698390.db2.gz NLCWJVVZUXAKJG-HNNXBMFYSA-N -1 1 392.419 2.065 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000822535326 606698391 /nfs/dbraw/zinc/69/83/91/606698391.db2.gz NLCWJVVZUXAKJG-HNNXBMFYSA-N -1 1 392.419 2.065 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000822221486 606708164 /nfs/dbraw/zinc/70/81/64/606708164.db2.gz QJVRMZJXOIUHSC-UHFFFAOYSA-N -1 1 398.448 2.206 20 0 GEADMM O=C(N[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1)c1cc2ccccc2o1 ZINC000823149673 606731929 /nfs/dbraw/zinc/73/19/29/606731929.db2.gz GBFBDKYOTWDVBB-CQSZACIVSA-N -1 1 389.419 2.407 20 0 GEADMM O=C(N[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1)c1cc2ccccc2o1 ZINC000823149673 606731931 /nfs/dbraw/zinc/73/19/31/606731931.db2.gz GBFBDKYOTWDVBB-CQSZACIVSA-N -1 1 389.419 2.407 20 0 GEADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)[nH]n1 ZINC000820108954 606749803 /nfs/dbraw/zinc/74/98/03/606749803.db2.gz WKEJSPQKJWXETK-UHFFFAOYSA-N -1 1 381.849 2.243 20 0 GEADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[nH]n1 ZINC000820109033 606779075 /nfs/dbraw/zinc/77/90/75/606779075.db2.gz ZZLOWJWLEVNBDZ-UHFFFAOYSA-N -1 1 381.849 2.243 20 0 GEADMM Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822230590 606793555 /nfs/dbraw/zinc/79/35/55/606793555.db2.gz KTQALNZVYPJFQT-KRWDZBQOSA-N -1 1 384.465 2.404 20 0 GEADMM Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822230590 606793557 /nfs/dbraw/zinc/79/35/57/606793557.db2.gz KTQALNZVYPJFQT-KRWDZBQOSA-N -1 1 384.465 2.404 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCS2)c1-c1nn[n-]n1 ZINC000821988667 606809497 /nfs/dbraw/zinc/80/94/97/606809497.db2.gz GHQHICYYDGUYLG-SNVBAGLBSA-N -1 1 376.511 2.486 20 0 GEADMM C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820825741 606840185 /nfs/dbraw/zinc/84/01/85/606840185.db2.gz COLYEOXKKPJRDJ-VIFPVBQESA-N -1 1 379.442 2.375 20 0 GEADMM CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821610857 606840987 /nfs/dbraw/zinc/84/09/87/606840987.db2.gz HXJDMCKCVKWRJU-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820944801 606843194 /nfs/dbraw/zinc/84/31/94/606843194.db2.gz OMFIWIBHMPTQEZ-AWEZNQCLSA-N -1 1 376.417 2.173 20 0 GEADMM Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822352430 606843806 /nfs/dbraw/zinc/84/38/06/606843806.db2.gz ZMYUSVFPDXSRHA-CYBMUJFWSA-N -1 1 387.440 2.492 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](Cc2ccccc2)C1 ZINC000823600574 606845662 /nfs/dbraw/zinc/84/56/62/606845662.db2.gz ITAGGXBNQVWRRA-CQSZACIVSA-N -1 1 387.440 2.259 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823601216 606845739 /nfs/dbraw/zinc/84/57/39/606845739.db2.gz WPZSREUKPXGTBC-LBPRGKRZSA-N -1 1 391.403 2.323 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823606194 606845896 /nfs/dbraw/zinc/84/58/96/606845896.db2.gz GHFJERZVYWCQSH-CHWSQXEVSA-N -1 1 383.474 2.055 20 0 GEADMM COC1CCC(OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000821679999 606897403 /nfs/dbraw/zinc/89/74/03/606897403.db2.gz VTAYBZBSAMBQRQ-UHFFFAOYSA-N -1 1 375.429 2.018 20 0 GEADMM CCc1nnc(Sc2nnc(NC3CC3)s2)c(-c2nn[n-]n2)c1CC ZINC000821548274 606909992 /nfs/dbraw/zinc/90/99/92/606909992.db2.gz JXUIZJVCOWPIPW-UHFFFAOYSA-N -1 1 375.487 2.359 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C[C@H]1COC(=O)C1 ZINC000822211529 606995912 /nfs/dbraw/zinc/99/59/12/606995912.db2.gz CSRUHPOPXYIXKR-GFCCVEGCSA-N -1 1 394.391 2.254 20 0 GEADMM O=C1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CN1C1CCCCC1 ZINC000823519858 607043633 /nfs/dbraw/zinc/04/36/33/607043633.db2.gz JLMDEEQMWORLPH-GFCCVEGCSA-N -1 1 378.440 2.155 20 0 GEADMM O=C1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CN1C1CCCCC1 ZINC000823519858 607043635 /nfs/dbraw/zinc/04/36/35/607043635.db2.gz JLMDEEQMWORLPH-GFCCVEGCSA-N -1 1 378.440 2.155 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCC(OC(C)(C)C)CC2)cc1-c1nn[n-]n1 ZINC000821969419 607070860 /nfs/dbraw/zinc/07/08/60/607070860.db2.gz ACUGAPLPBBZBDA-UHFFFAOYSA-N -1 1 392.485 2.109 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1nc(C2CC2)cs1 ZINC000822005690 607078492 /nfs/dbraw/zinc/07/84/92/607078492.db2.gz UDSHSOKXSCFLFI-UHFFFAOYSA-N -1 1 399.480 2.167 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000823380296 607110774 /nfs/dbraw/zinc/11/07/74/607110774.db2.gz VDUZTLZLOWSXMB-CQSZACIVSA-N -1 1 383.437 2.016 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000823380296 607110776 /nfs/dbraw/zinc/11/07/76/607110776.db2.gz VDUZTLZLOWSXMB-CQSZACIVSA-N -1 1 383.437 2.016 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823600550 607145041 /nfs/dbraw/zinc/14/50/41/607145041.db2.gz ICEKGNHZSFEYLM-MRXNPFEDSA-N -1 1 398.492 2.438 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000823600550 607145044 /nfs/dbraw/zinc/14/50/44/607145044.db2.gz ICEKGNHZSFEYLM-MRXNPFEDSA-N -1 1 398.492 2.438 20 0 GEADMM Cn1ncnc1COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000822713933 607185426 /nfs/dbraw/zinc/18/54/26/607185426.db2.gz CCKWHDNQNRZGMQ-UHFFFAOYSA-N -1 1 395.354 2.284 20 0 GEADMM Cn1ncnc1COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000822713933 607185427 /nfs/dbraw/zinc/18/54/27/607185427.db2.gz CCKWHDNQNRZGMQ-UHFFFAOYSA-N -1 1 395.354 2.284 20 0 GEADMM Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCC[C@H](C)C1 ZINC000822352414 607216924 /nfs/dbraw/zinc/21/69/24/607216924.db2.gz ZCAKZRPKQOSHPN-DHSIGJKJSA-N -1 1 394.483 2.450 20 0 GEADMM Oc1cccc([C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000823731702 607226045 /nfs/dbraw/zinc/22/60/45/607226045.db2.gz CMYQODXPBOFUDE-MRXNPFEDSA-N -1 1 375.392 2.093 20 0 GEADMM Oc1cccc([C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000823731702 607226046 /nfs/dbraw/zinc/22/60/46/607226046.db2.gz CMYQODXPBOFUDE-MRXNPFEDSA-N -1 1 375.392 2.093 20 0 GEADMM O=c1[nH]c2ccccc2n1CCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000823657840 607237638 /nfs/dbraw/zinc/23/76/38/607237638.db2.gz VROMMPYWDOBVTF-UHFFFAOYSA-N -1 1 387.403 2.327 20 0 GEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824938968 607865161 /nfs/dbraw/zinc/86/51/61/607865161.db2.gz XAQJOFZAGDPIFI-OCCSQVGLSA-N -1 1 377.420 2.096 20 0 GEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824938968 607865162 /nfs/dbraw/zinc/86/51/62/607865162.db2.gz XAQJOFZAGDPIFI-OCCSQVGLSA-N -1 1 377.420 2.096 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCc1c(F)cccc1F ZINC000826418651 607866635 /nfs/dbraw/zinc/86/66/35/607866635.db2.gz PYSQMKAHJZOYGA-UHFFFAOYSA-N -1 1 377.326 2.022 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCc1c(F)cccc1F ZINC000826418651 607866636 /nfs/dbraw/zinc/86/66/36/607866636.db2.gz PYSQMKAHJZOYGA-UHFFFAOYSA-N -1 1 377.326 2.022 20 0 GEADMM Cn1nc(Br)c2c1ncnc2Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826366129 607867028 /nfs/dbraw/zinc/86/70/28/607867028.db2.gz UGHZEHCHEXFXRX-UHFFFAOYSA-N -1 1 391.164 2.237 20 0 GEADMM Cn1nc(Br)c2c1ncnc2Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826366129 607867029 /nfs/dbraw/zinc/86/70/29/607867029.db2.gz UGHZEHCHEXFXRX-UHFFFAOYSA-N -1 1 391.164 2.237 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCCSCC(C)C)cc1-c1nn[n-]n1 ZINC000826229650 607929780 /nfs/dbraw/zinc/92/97/80/607929780.db2.gz LYIGDZPSAKKTMZ-UHFFFAOYSA-N -1 1 382.515 2.198 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CN(Cc2ccccc2)c2ccccc2)n1 ZINC000826356690 607963728 /nfs/dbraw/zinc/96/37/28/607963728.db2.gz AYCDPWGEFSWBCF-UHFFFAOYSA-N -1 1 388.435 2.246 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CN(Cc2ccccc2)c2ccccc2)n1 ZINC000826356690 607963729 /nfs/dbraw/zinc/96/37/29/607963729.db2.gz AYCDPWGEFSWBCF-UHFFFAOYSA-N -1 1 388.435 2.246 20 0 GEADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826290937 607990568 /nfs/dbraw/zinc/99/05/68/607990568.db2.gz HVYZHQHVRBOSSV-AWEZNQCLSA-N -1 1 393.455 2.003 20 0 GEADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826290937 607990569 /nfs/dbraw/zinc/99/05/69/607990569.db2.gz HVYZHQHVRBOSSV-AWEZNQCLSA-N -1 1 393.455 2.003 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)(C)C ZINC000824114335 607997721 /nfs/dbraw/zinc/99/77/21/607997721.db2.gz OUGIPHRFPRMJOW-CYBMUJFWSA-N -1 1 390.444 2.450 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(c2ccc(F)cc2)CCOCC1 ZINC000826450932 607998147 /nfs/dbraw/zinc/99/81/47/607998147.db2.gz JDKFCRNTCYFYRP-UHFFFAOYSA-N -1 1 383.383 2.398 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cnn(C)c1C(F)F ZINC000826340732 608004300 /nfs/dbraw/zinc/00/43/00/608004300.db2.gz IRTVVZMFMMHGIK-UHFFFAOYSA-N -1 1 388.338 2.482 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cnn(C)c1C(F)F ZINC000826340732 608004301 /nfs/dbraw/zinc/00/43/01/608004301.db2.gz IRTVVZMFMMHGIK-UHFFFAOYSA-N -1 1 388.338 2.482 20 0 GEADMM O=C1NC[C@H](CSc2nc3c(c(-c4ccco4)c2-c2nn[n-]n2)CCC3)O1 ZINC000826482893 608016569 /nfs/dbraw/zinc/01/65/69/608016569.db2.gz UITJMZGQANLCDA-SECBINFHSA-N -1 1 384.421 2.211 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cnc([C@@H]3CCCO3)s2)n1 ZINC000824148371 608028625 /nfs/dbraw/zinc/02/86/25/608028625.db2.gz SASVELFCYRUQCB-JTQLQIEISA-N -1 1 388.457 2.379 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cnc([C@@H]3CCCO3)s2)n1 ZINC000824148371 608028626 /nfs/dbraw/zinc/02/86/26/608028626.db2.gz SASVELFCYRUQCB-JTQLQIEISA-N -1 1 388.457 2.379 20 0 GEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820744536 608051573 /nfs/dbraw/zinc/05/15/73/608051573.db2.gz YNUXNPROYLSBTM-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820744536 608051574 /nfs/dbraw/zinc/05/15/74/608051574.db2.gz YNUXNPROYLSBTM-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820743450 608077829 /nfs/dbraw/zinc/07/78/29/608077829.db2.gz UMKFRCDSUDUFQI-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820743450 608077830 /nfs/dbraw/zinc/07/78/30/608077830.db2.gz UMKFRCDSUDUFQI-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM Cc1c2ccccc2sc1C(=O)Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000826334145 608079459 /nfs/dbraw/zinc/07/94/59/608079459.db2.gz JSAFPQUNBXFYQM-UHFFFAOYSA-N -1 1 380.433 2.446 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(=O)c1cccs1 ZINC000826340811 608079666 /nfs/dbraw/zinc/07/96/66/608079666.db2.gz LVSJLLSNJDXBKH-UHFFFAOYSA-N -1 1 382.405 2.233 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(=O)c1cccs1 ZINC000826340811 608079667 /nfs/dbraw/zinc/07/96/67/608079667.db2.gz LVSJLLSNJDXBKH-UHFFFAOYSA-N -1 1 382.405 2.233 20 0 GEADMM CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029091 608121340 /nfs/dbraw/zinc/12/13/40/608121340.db2.gz OCUZMLGALHMRMN-SWLSCSKDSA-N -1 1 390.419 2.382 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000825285343 608178819 /nfs/dbraw/zinc/17/88/19/608178819.db2.gz RSOHOOFODMXUFA-UWVGGRQHSA-N -1 1 383.909 2.498 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000825285343 608178821 /nfs/dbraw/zinc/17/88/21/608178821.db2.gz RSOHOOFODMXUFA-UWVGGRQHSA-N -1 1 383.909 2.498 20 0 GEADMM CCc1nn(C)cc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825763294 608180633 /nfs/dbraw/zinc/18/06/33/608180633.db2.gz SDIKBSDATDDHLN-UHFFFAOYSA-N -1 1 392.423 2.014 20 0 GEADMM CN1CCO[C@H]([C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045099 608235195 /nfs/dbraw/zinc/23/51/95/608235195.db2.gz PFRJMNLIOKYXEC-DOTOQJQBSA-N -1 1 385.859 2.399 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824108782 608244038 /nfs/dbraw/zinc/24/40/38/608244038.db2.gz JVRYPIPDCZONNP-SNVBAGLBSA-N -1 1 398.370 2.059 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000826340986 608250940 /nfs/dbraw/zinc/25/09/40/608250940.db2.gz RDBUCVHQLCVHBC-UONOGXRCSA-N -1 1 384.440 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000826340986 608250942 /nfs/dbraw/zinc/25/09/42/608250942.db2.gz RDBUCVHQLCVHBC-UONOGXRCSA-N -1 1 384.440 2.492 20 0 GEADMM Cc1oc(NC(=O)CN(CC(=O)OC(C)(C)C)C(C)C)c(-c2nn[n-]n2)c1C ZINC000826341606 608259102 /nfs/dbraw/zinc/25/91/02/608259102.db2.gz LYYHVYTZEPEUIA-UHFFFAOYSA-N -1 1 392.460 2.067 20 0 GEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1Cl ZINC000825759474 608266875 /nfs/dbraw/zinc/26/68/75/608266875.db2.gz IUQZSEZSPVSKKB-UHFFFAOYSA-N -1 1 395.876 2.179 20 0 GEADMM CCCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n(C)n1 ZINC000825348356 608272085 /nfs/dbraw/zinc/27/20/85/608272085.db2.gz HASUPOXDOWJVEB-UHFFFAOYSA-N -1 1 380.412 2.497 20 0 GEADMM CCCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n(C)n1 ZINC000825348356 608272087 /nfs/dbraw/zinc/27/20/87/608272087.db2.gz HASUPOXDOWJVEB-UHFFFAOYSA-N -1 1 380.412 2.497 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)CCCO)c1-c1nn[n-]n1 ZINC000826231619 608279070 /nfs/dbraw/zinc/27/90/70/608279070.db2.gz SEBWOHMZQDCJQR-UHFFFAOYSA-N -1 1 390.513 2.390 20 0 GEADMM Cn1cc([C@H](O)C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000826359202 608302122 /nfs/dbraw/zinc/30/21/22/608302122.db2.gz AAQDLQXUWCFTII-IFXJQAMLSA-N -1 1 390.451 2.241 20 0 GEADMM Cn1cc([C@H](O)C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000826359202 608302123 /nfs/dbraw/zinc/30/21/23/608302123.db2.gz AAQDLQXUWCFTII-IFXJQAMLSA-N -1 1 390.451 2.241 20 0 GEADMM COc1c(C)cc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1C ZINC000826166838 608323986 /nfs/dbraw/zinc/32/39/86/608323986.db2.gz DFEAUMQSHIELJK-UHFFFAOYSA-N -1 1 399.407 2.497 20 0 GEADMM CSc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ccn1 ZINC000826230256 608324998 /nfs/dbraw/zinc/32/49/98/608324998.db2.gz LGAUZJKLPBWVBY-UHFFFAOYSA-N -1 1 385.453 2.272 20 0 GEADMM CC(C)(C)c1cc(NC(=O)CCCN2C(=O)CCC2=O)c(-c2nnn[n-]2)s1 ZINC000824131341 608348506 /nfs/dbraw/zinc/34/85/06/608348506.db2.gz YZDXSOWQSXAFNM-UHFFFAOYSA-N -1 1 390.469 2.093 20 0 GEADMM CC(C)(C)c1cc(NC(=O)CCCN2C(=O)CCC2=O)c(-c2nn[n-]n2)s1 ZINC000824131341 608348508 /nfs/dbraw/zinc/34/85/08/608348508.db2.gz YZDXSOWQSXAFNM-UHFFFAOYSA-N -1 1 390.469 2.093 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCc2cccc(O)c21 ZINC000826232789 608386875 /nfs/dbraw/zinc/38/68/75/608386875.db2.gz IPEWFQSRLLUKDR-UHFFFAOYSA-N -1 1 394.435 2.202 20 0 GEADMM O=S(=O)(c1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826495959 608400940 /nfs/dbraw/zinc/40/09/40/608400940.db2.gz HFAWPFDMQLCBJD-UHFFFAOYSA-N -1 1 380.389 2.282 20 0 GEADMM O=S(=O)(c1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826495959 608400941 /nfs/dbraw/zinc/40/09/41/608400941.db2.gz HFAWPFDMQLCBJD-UHFFFAOYSA-N -1 1 380.389 2.282 20 0 GEADMM CCCCc1c(C)nc2nc(Sc3ccc(-c4nnn[n-]4)nn3)nn2c1C ZINC000825296343 608401234 /nfs/dbraw/zinc/40/12/34/608401234.db2.gz FHUMFVQOBARZLN-UHFFFAOYSA-N -1 1 382.457 2.205 20 0 GEADMM CCCCc1c(C)nc2nc(Sc3ccc(-c4nn[n-]n4)nn3)nn2c1C ZINC000825296343 608401236 /nfs/dbraw/zinc/40/12/36/608401236.db2.gz FHUMFVQOBARZLN-UHFFFAOYSA-N -1 1 382.457 2.205 20 0 GEADMM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923728 608403016 /nfs/dbraw/zinc/40/30/16/608403016.db2.gz SWVFUNGBAPXRPS-UHFFFAOYSA-N -1 1 379.403 2.255 20 0 GEADMM O=C([N-]CCCSCCOc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000826437016 608405578 /nfs/dbraw/zinc/40/55/78/608405578.db2.gz STOHYJIUMGDQFB-UHFFFAOYSA-N -1 1 375.376 2.047 20 0 GEADMM CCN(CCOc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825424456 608432509 /nfs/dbraw/zinc/43/25/09/608432509.db2.gz HQWYLCMMERADIK-UHFFFAOYSA-N -1 1 390.245 2.325 20 0 GEADMM CCN(CCOc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825424456 608432511 /nfs/dbraw/zinc/43/25/11/608432511.db2.gz HQWYLCMMERADIK-UHFFFAOYSA-N -1 1 390.245 2.325 20 0 GEADMM Brc1ccccc1-n1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000823832304 608436743 /nfs/dbraw/zinc/43/67/43/608436743.db2.gz LOOALNGIZQYSDP-UHFFFAOYSA-N -1 1 384.201 2.349 20 0 GEADMM Brc1ccccc1-n1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000823832304 608436745 /nfs/dbraw/zinc/43/67/45/608436745.db2.gz LOOALNGIZQYSDP-UHFFFAOYSA-N -1 1 384.201 2.349 20 0 GEADMM COc1ccc([C@H](CNc2nc(-c3nn[n-]n3)ccc2C)N2CCOCC2)cc1 ZINC000826189565 608541075 /nfs/dbraw/zinc/54/10/75/608541075.db2.gz YMWBZYHUVSGLKT-SFHVURJKSA-N -1 1 395.467 2.064 20 0 GEADMM CC(=O)c1ccc(N2CCN(c3nc(-c4nn[n-]n4)ccc3C)CC2)c(F)c1 ZINC000824025160 608541539 /nfs/dbraw/zinc/54/15/39/608541539.db2.gz VZFWHGBVEIDWLI-UHFFFAOYSA-N -1 1 381.415 2.238 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000826280309 608544441 /nfs/dbraw/zinc/54/44/41/608544441.db2.gz XACJRMGMXAUCJG-CQSZACIVSA-N -1 1 382.403 2.110 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000825923786 608556861 /nfs/dbraw/zinc/55/68/61/608556861.db2.gz VUHRTNSRXHUNMZ-BFHYXJOUSA-N -1 1 386.504 2.170 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000825923786 608556863 /nfs/dbraw/zinc/55/68/63/608556863.db2.gz VUHRTNSRXHUNMZ-BFHYXJOUSA-N -1 1 386.504 2.170 20 0 GEADMM COc1ncc(Br)cc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000826221354 608592935 /nfs/dbraw/zinc/59/29/35/608592935.db2.gz ARNSYCDSVMCJIH-UHFFFAOYSA-N -1 1 396.226 2.451 20 0 GEADMM COc1ncc(Br)cc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826221757 608593218 /nfs/dbraw/zinc/59/32/18/608593218.db2.gz SYSJDHIVCBLBMX-UHFFFAOYSA-N -1 1 396.226 2.451 20 0 GEADMM COc1ncc(Br)cc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826221757 608593220 /nfs/dbraw/zinc/59/32/20/608593220.db2.gz SYSJDHIVCBLBMX-UHFFFAOYSA-N -1 1 396.226 2.451 20 0 GEADMM O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826468815 608640965 /nfs/dbraw/zinc/64/09/65/608640965.db2.gz IYSKFQFIBOVEPE-UHFFFAOYSA-N -1 1 390.419 2.164 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCCc2cccs2)cc1-c1nn[n-]n1 ZINC000826229465 608860573 /nfs/dbraw/zinc/86/05/73/608860573.db2.gz FZLQLCZVPIWJFS-UHFFFAOYSA-N -1 1 376.467 2.113 20 0 GEADMM CC[C@@H](C)[C@@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825049506 609144513 /nfs/dbraw/zinc/14/45/13/609144513.db2.gz BUDBQKSALPADIE-CHWSQXEVSA-N -1 1 399.455 2.446 20 0 GEADMM CCc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000825700917 609162710 /nfs/dbraw/zinc/16/27/10/609162710.db2.gz ZCUDSOFHAFZUFX-UHFFFAOYSA-N -1 1 383.460 2.139 20 0 GEADMM CCc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000825700917 609162712 /nfs/dbraw/zinc/16/27/12/609162712.db2.gz ZCUDSOFHAFZUFX-UHFFFAOYSA-N -1 1 383.460 2.139 20 0 GEADMM O[C@@]1(c2ccc(F)cc2)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826506370 609170501 /nfs/dbraw/zinc/17/05/01/609170501.db2.gz SXJYQMPIVWZYEW-IBGZPJMESA-N -1 1 377.383 2.047 20 0 GEADMM O[C@@]1(c2ccc(F)cc2)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826506370 609170503 /nfs/dbraw/zinc/17/05/03/609170503.db2.gz SXJYQMPIVWZYEW-IBGZPJMESA-N -1 1 377.383 2.047 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccc(C)cc1 ZINC000826281229 609244887 /nfs/dbraw/zinc/24/48/87/609244887.db2.gz JWYXEOWVMWKOTD-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccc(C)cc1 ZINC000826281229 609244888 /nfs/dbraw/zinc/24/48/88/609244888.db2.gz JWYXEOWVMWKOTD-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cnc2c(c1)COCC2 ZINC000826340543 609252003 /nfs/dbraw/zinc/25/20/03/609252003.db2.gz BSSWLBIQEFGZHO-UHFFFAOYSA-N -1 1 391.391 2.279 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cnc2c(c1)COCC2 ZINC000826340543 609252004 /nfs/dbraw/zinc/25/20/04/609252004.db2.gz BSSWLBIQEFGZHO-UHFFFAOYSA-N -1 1 391.391 2.279 20 0 GEADMM C[C@@H]1CCC[C@H](C)N1C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824929116 609278504 /nfs/dbraw/zinc/27/85/04/609278504.db2.gz VZXSWALPKWUCTM-BETUJISGSA-N -1 1 398.446 2.393 20 0 GEADMM O=C(CCc1nccs1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826408994 609289470 /nfs/dbraw/zinc/28/94/70/609289470.db2.gz DHIVDRFHUDUPDQ-UHFFFAOYSA-N -1 1 384.400 2.219 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1COc2ccccc21 ZINC000826458175 609291152 /nfs/dbraw/zinc/29/11/52/609291152.db2.gz GMWIQRGPMFGCJB-LBPRGKRZSA-N -1 1 391.366 2.306 20 0 GEADMM O=C(CCC1CCOCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826405649 609292873 /nfs/dbraw/zinc/29/28/73/609292873.db2.gz NVCNXKPXPVUVCY-UHFFFAOYSA-N -1 1 385.403 2.337 20 0 GEADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826283741 609301008 /nfs/dbraw/zinc/30/10/08/609301008.db2.gz ZEUIHXFMCZZGOE-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826283741 609301010 /nfs/dbraw/zinc/30/10/10/609301010.db2.gz ZEUIHXFMCZZGOE-CYBMUJFWSA-N -1 1 397.487 2.124 20 0 GEADMM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825252468 609301865 /nfs/dbraw/zinc/30/18/65/609301865.db2.gz IGVDMINFMCRARC-STQMWFEESA-N -1 1 389.508 2.105 20 0 GEADMM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825252468 609301867 /nfs/dbraw/zinc/30/18/67/609301867.db2.gz IGVDMINFMCRARC-STQMWFEESA-N -1 1 389.508 2.105 20 0 GEADMM CNC(=O)c1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826068688 609319428 /nfs/dbraw/zinc/31/94/28/609319428.db2.gz WNXKKHGWBDLJMV-UHFFFAOYSA-N -1 1 392.398 2.163 20 0 GEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826164524 609338392 /nfs/dbraw/zinc/33/83/92/609338392.db2.gz DYKOWHGEWPNTQQ-UHFFFAOYSA-N -1 1 379.829 2.467 20 0 GEADMM O=C(NCCc1cscn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439970 609363844 /nfs/dbraw/zinc/36/38/44/609363844.db2.gz SDYRNLBPMQWASA-UHFFFAOYSA-N -1 1 399.415 2.012 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824640387 609398737 /nfs/dbraw/zinc/39/87/37/609398737.db2.gz HNEDCTABOSOFJS-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]2C ZINC000826212292 609426714 /nfs/dbraw/zinc/42/67/14/609426714.db2.gz MAJYAQAQPKZOMS-QWRGUYRKSA-N -1 1 382.424 2.249 20 0 GEADMM COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]2C ZINC000826212292 609426716 /nfs/dbraw/zinc/42/67/16/609426716.db2.gz MAJYAQAQPKZOMS-QWRGUYRKSA-N -1 1 382.424 2.249 20 0 GEADMM Cc1onc(CC(=O)Nc2cnn(CC(C)C)c2C(F)F)c1-c1nnn[n-]1 ZINC000826349155 609468109 /nfs/dbraw/zinc/46/81/09/609468109.db2.gz WZJCYNATYIEYNF-UHFFFAOYSA-N -1 1 380.359 2.134 20 0 GEADMM Cc1onc(CC(=O)Nc2cnn(CC(C)C)c2C(F)F)c1-c1nn[n-]n1 ZINC000826349155 609468111 /nfs/dbraw/zinc/46/81/11/609468111.db2.gz WZJCYNATYIEYNF-UHFFFAOYSA-N -1 1 380.359 2.134 20 0 GEADMM COCC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000826155348 609583014 /nfs/dbraw/zinc/58/30/14/609583014.db2.gz MZDKQWWRENLUAL-NSHDSACASA-N -1 1 397.844 2.169 20 0 GEADMM COCC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000826155348 609583015 /nfs/dbraw/zinc/58/30/15/609583015.db2.gz MZDKQWWRENLUAL-NSHDSACASA-N -1 1 397.844 2.169 20 0 GEADMM CCCCCN(CCCOC)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825276337 609586836 /nfs/dbraw/zinc/58/68/36/609586836.db2.gz WNFHIPCLZZMURQ-UHFFFAOYSA-N -1 1 385.465 2.223 20 0 GEADMM CCCCCN(CCCOC)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825276337 609586838 /nfs/dbraw/zinc/58/68/38/609586838.db2.gz WNFHIPCLZZMURQ-UHFFFAOYSA-N -1 1 385.465 2.223 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)c(F)c1 ZINC000451019338 650080491 /nfs/dbraw/zinc/08/04/91/650080491.db2.gz UPWKYNUJIRXLBK-UHFFFAOYSA-N -1 1 390.502 2.444 20 0 GEADMM O=S(=O)([N-]CC(F)F)c1ccc(Cl)cc1I ZINC000451021783 650080770 /nfs/dbraw/zinc/08/07/70/650080770.db2.gz FVPMEYNLMZQYDE-UHFFFAOYSA-N -1 1 381.569 2.488 20 0 GEADMM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1[C@@H]1CCOC1 ZINC000451100553 650086657 /nfs/dbraw/zinc/08/66/57/650086657.db2.gz VIQAQEFVXCCZCL-SNVBAGLBSA-N -1 1 385.829 2.305 20 0 GEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1C ZINC000451110155 650087619 /nfs/dbraw/zinc/08/76/19/650087619.db2.gz DFCWNFIGMHNHHL-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM CCS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000451114224 650088184 /nfs/dbraw/zinc/08/81/84/650088184.db2.gz KLTWELGPWCNHPG-UHFFFAOYSA-N -1 1 387.435 2.022 20 0 GEADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1sccc1Br ZINC000451114584 650088191 /nfs/dbraw/zinc/08/81/91/650088191.db2.gz LDMGBCZRUBEXOJ-UHFFFAOYSA-N -1 1 393.288 2.257 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2C)cc1 ZINC000451116808 650088507 /nfs/dbraw/zinc/08/85/07/650088507.db2.gz RVDLONZEIUYLEB-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451132971 650089353 /nfs/dbraw/zinc/08/93/53/650089353.db2.gz AUSZHAAXGFZFEW-UHFFFAOYSA-N -1 1 396.943 2.162 20 0 GEADMM O=C1CCC(=O)N1CCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451171782 650092748 /nfs/dbraw/zinc/09/27/48/650092748.db2.gz PMBPTVCBQZNZPE-UHFFFAOYSA-N -1 1 386.882 2.372 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C1CCOCC1 ZINC000451355657 650106875 /nfs/dbraw/zinc/10/68/75/650106875.db2.gz VPJHJMURSIMZBT-ZIAGYGMSSA-N -1 1 383.457 2.090 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](CC)C2)c(F)c1 ZINC000451292068 650101504 /nfs/dbraw/zinc/10/15/04/650101504.db2.gz BSRGPVUDALTVOY-LBPRGKRZSA-N -1 1 378.491 2.398 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000451355987 650106940 /nfs/dbraw/zinc/10/69/40/650106940.db2.gz WLNFQLKZYLTELX-GLXFQSAKSA-N -1 1 379.837 2.180 20 0 GEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451368864 650108200 /nfs/dbraw/zinc/10/82/00/650108200.db2.gz QOHJGSKJXCNECK-CHWSQXEVSA-N -1 1 385.473 2.478 20 0 GEADMM COc1ccccc1CCNC(=O)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451491504 650120378 /nfs/dbraw/zinc/12/03/78/650120378.db2.gz FJIDIDOKTOIYIG-UHFFFAOYSA-N -1 1 388.898 2.047 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nc(C)c(Br)s2)c1 ZINC000451660262 650130125 /nfs/dbraw/zinc/13/01/25/650130125.db2.gz FIFMHJMQUAQYKU-UHFFFAOYSA-N -1 1 395.256 2.072 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(CF)CC2)c(F)c1 ZINC000451771118 650140848 /nfs/dbraw/zinc/14/08/48/650140848.db2.gz RALREUXXZBNTBA-UHFFFAOYSA-N -1 1 396.481 2.348 20 0 GEADMM CC[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451748834 650138832 /nfs/dbraw/zinc/13/88/32/650138832.db2.gz NUJPHORFXCBFID-VXGBXAGGSA-N -1 1 378.491 2.302 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(=O)NC ZINC000452081424 650171808 /nfs/dbraw/zinc/17/18/08/650171808.db2.gz JVSVRFWTKAIUPO-VIFPVBQESA-N -1 1 387.658 2.045 20 0 GEADMM CCC[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OC ZINC000452312798 650179449 /nfs/dbraw/zinc/17/94/49/650179449.db2.gz YLANETAXVHISKB-SNVBAGLBSA-N -1 1 383.297 2.203 20 0 GEADMM CC[C@@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H](O)C(F)F ZINC000452481804 650187569 /nfs/dbraw/zinc/18/75/69/650187569.db2.gz OSWVXKHJKZPIBZ-PSASIEDQSA-N -1 1 385.148 2.131 20 0 GEADMM COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)c1cncc([O-])c1 ZINC000456732530 650361332 /nfs/dbraw/zinc/36/13/32/650361332.db2.gz USXBIGUKXWJPND-LLVKDONJSA-N -1 1 395.253 2.139 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2SCc2cscn2)n1 ZINC000500572627 650381027 /nfs/dbraw/zinc/38/10/27/650381027.db2.gz VLMYOTJFINRQQK-UHFFFAOYSA-N -1 1 395.491 2.209 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2SCc2cscn2)[n-]1 ZINC000500572627 650381030 /nfs/dbraw/zinc/38/10/30/650381030.db2.gz VLMYOTJFINRQQK-UHFFFAOYSA-N -1 1 395.491 2.209 20 0 GEADMM O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cncc([O-])c1 ZINC000458122729 650396290 /nfs/dbraw/zinc/39/62/90/650396290.db2.gz ZXHRAPQLWLPVDQ-NSHDSACASA-N -1 1 383.217 2.270 20 0 GEADMM Cc1ncc(CS(=O)(=O)c2nc(-c3ccccc3Br)n[n-]2)cn1 ZINC000506908075 650451750 /nfs/dbraw/zinc/45/17/50/650451750.db2.gz FKUINEULKKMFGX-UHFFFAOYSA-N -1 1 394.254 2.307 20 0 GEADMM Cc1ncc(CS(=O)(=O)c2n[n-]c(-c3ccccc3Br)n2)cn1 ZINC000506908075 650451754 /nfs/dbraw/zinc/45/17/54/650451754.db2.gz FKUINEULKKMFGX-UHFFFAOYSA-N -1 1 394.254 2.307 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2sccc2Br)c1 ZINC000461464069 650454566 /nfs/dbraw/zinc/45/45/66/650454566.db2.gz NACRIVCOVTXHBD-UHFFFAOYSA-N -1 1 391.268 2.377 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COc2cccc(Cl)c2C)c1 ZINC000461464573 650454610 /nfs/dbraw/zinc/45/46/10/650454610.db2.gz PMEULLZWDMENHJ-UHFFFAOYSA-N -1 1 384.841 2.280 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2n[nH]c3ccc(Cl)cc32)c1 ZINC000461465745 650454977 /nfs/dbraw/zinc/45/49/77/650454977.db2.gz PZBOLFBQOJCTKK-UHFFFAOYSA-N -1 1 380.813 2.082 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000461465123 650455021 /nfs/dbraw/zinc/45/50/21/650455021.db2.gz OAGVKRMSRPNXGX-JTQLQIEISA-N -1 1 384.841 2.360 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc(S(C)(=O)=O)c1 ZINC000507620311 650465071 /nfs/dbraw/zinc/46/50/71/650465071.db2.gz KKAGSFLJSONXKW-UHFFFAOYSA-N -1 1 389.426 2.047 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1F ZINC000507616214 650465109 /nfs/dbraw/zinc/46/51/09/650465109.db2.gz KGAXJOMZHLSHKU-UHFFFAOYSA-N -1 1 392.861 2.496 20 0 GEADMM CC[C@@]1(C)CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000462595346 650485796 /nfs/dbraw/zinc/48/57/96/650485796.db2.gz TZWSLKIMTIWWCV-HNNXBMFYSA-N -1 1 378.491 2.398 20 0 GEADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000509102422 650486588 /nfs/dbraw/zinc/48/65/88/650486588.db2.gz FVLDNXAGZXZSAI-UHFFFAOYSA-N -1 1 386.520 2.460 20 0 GEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000462671440 650487888 /nfs/dbraw/zinc/48/78/88/650487888.db2.gz ASJIVSRCHZMKCZ-LBPRGKRZSA-N -1 1 386.436 2.361 20 0 GEADMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1C ZINC000463354604 650493938 /nfs/dbraw/zinc/49/39/38/650493938.db2.gz LJHYLKYPVYBBKK-UHFFFAOYSA-N -1 1 387.845 2.329 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])NC1(c2ccc(Br)cc2)CC1 ZINC000509905587 650502761 /nfs/dbraw/zinc/50/27/61/650502761.db2.gz QJQFMGVUOIVKGZ-UHFFFAOYSA-N -1 1 390.237 2.085 20 0 GEADMM CCNc1cnc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)cn1 ZINC000468061891 650503680 /nfs/dbraw/zinc/50/36/80/650503680.db2.gz MMGPULOQNRJJEV-SECBINFHSA-N -1 1 380.455 2.059 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1C)c1ccsc1 ZINC000468909908 650507652 /nfs/dbraw/zinc/50/76/52/650507652.db2.gz LGOGOWCECJTDMF-OAHLLOKOSA-N -1 1 385.463 2.266 20 0 GEADMM CSc1nc(C)c(CCC(=O)N(CC(F)(F)F)[C@@H]2CCOC2)c(=O)[n-]1 ZINC000468922739 650508503 /nfs/dbraw/zinc/50/85/03/650508503.db2.gz HWQALHXGLYUAPA-SNVBAGLBSA-N -1 1 379.404 2.325 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)c1ccsc1 ZINC000468934129 650508655 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ZINC000497141375 650832484 /nfs/dbraw/zinc/83/24/84/650832484.db2.gz MWDIQBQVBAJXJB-UHFFFAOYSA-N -1 1 389.202 2.194 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000538257488 650833163 /nfs/dbraw/zinc/83/31/63/650833163.db2.gz JKRXHVQIDCAACX-UHFFFAOYSA-N -1 1 377.447 2.130 20 0 GEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@H]2c2ccccc2Br)s1 ZINC000121113040 643628301 /nfs/dbraw/zinc/62/83/01/643628301.db2.gz LEBAFWGGISUFEQ-RYUDHWBXSA-N -1 1 382.283 2.459 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(N2CCNC2=O)ccc1F ZINC000121571532 643635734 /nfs/dbraw/zinc/63/57/34/643635734.db2.gz UEGKMIFHEPCQJN-UHFFFAOYSA-N -1 1 395.188 2.471 20 0 GEADMM COc1cc(Br)cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000498488466 650858476 /nfs/dbraw/zinc/85/84/76/650858476.db2.gz IGDJOSYBIGESOI-UHFFFAOYSA-N -1 1 385.239 2.357 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1 ZINC000540292817 650862132 /nfs/dbraw/zinc/86/21/32/650862132.db2.gz OAZMFOXIVYUERY-UHFFFAOYSA-N -1 1 386.520 2.426 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(Br)ccc2F)o1 ZINC000128018002 643789933 /nfs/dbraw/zinc/78/99/33/643789933.db2.gz VMJDMXGLXXKSEC-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000128371185 643800696 /nfs/dbraw/zinc/80/06/96/643800696.db2.gz PGYPTQOKDHGCMI-TWGQIWQCSA-N -1 1 394.762 2.446 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)[n-]1 ZINC000128371185 643800698 /nfs/dbraw/zinc/80/06/98/643800698.db2.gz PGYPTQOKDHGCMI-TWGQIWQCSA-N -1 1 394.762 2.446 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)co1 ZINC000130646510 643846834 /nfs/dbraw/zinc/84/68/34/643846834.db2.gz IOINZKIWIKYFFO-AWEZNQCLSA-N -1 1 384.841 2.055 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc2n[nH]cc21 ZINC000499288497 650879184 /nfs/dbraw/zinc/87/91/84/650879184.db2.gz WNTNZFGFPJLZOP-UHFFFAOYSA-N -1 1 379.463 2.217 20 0 GEADMM O=C([N-]CCCn1nnc(-c2ccc(Br)cc2)n1)C(F)(F)F ZINC000151749225 643952670 /nfs/dbraw/zinc/95/26/70/643952670.db2.gz JPCKJWBEQBLHFQ-UHFFFAOYSA-N -1 1 378.152 2.171 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cc1Cl ZINC000541770629 650879800 /nfs/dbraw/zinc/87/98/00/650879800.db2.gz HNUIQTVHVOJODA-LLVKDONJSA-N -1 1 392.758 2.029 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000499672028 650889892 /nfs/dbraw/zinc/88/98/92/650889892.db2.gz CHSNOGPAJKPUAU-QLJPJBMISA-N -1 1 383.857 2.453 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nc(C)cs2)c(Br)o1 ZINC000154368700 644039587 /nfs/dbraw/zinc/03/95/87/644039587.db2.gz HCVMVYSZYPQUKO-UHFFFAOYSA-N -1 1 395.256 2.072 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])C1CCN(C(=O)N2CCCC2)CC1 ZINC000156358933 644091769 /nfs/dbraw/zinc/09/17/69/644091769.db2.gz DAWCYMZZYZSSBK-UHFFFAOYSA-N -1 1 397.273 2.416 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])C1CCN(c2cnccn2)CC1 ZINC000156400779 644094271 /nfs/dbraw/zinc/09/42/71/644094271.db2.gz FYKQDDZWSKVPMT-UHFFFAOYSA-N -1 1 378.230 2.195 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000159081509 644175159 /nfs/dbraw/zinc/17/51/59/644175159.db2.gz STEQCVUXELVFAK-NSHDSACASA-N -1 1 382.833 2.184 20 0 GEADMM O=S(=O)([N-]C[C@@H](O)c1ccco1)c1cc(Br)c(F)cc1F ZINC000159177945 644179400 /nfs/dbraw/zinc/17/94/00/644179400.db2.gz KQLUHTKTELHYCQ-SNVBAGLBSA-N -1 1 382.182 2.332 20 0 GEADMM O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(Br)c([O-])c1 ZINC000179458882 644461206 /nfs/dbraw/zinc/46/12/06/644461206.db2.gz MMMKYAOELMOQMG-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM CCCN(Cc1ccccc1Br)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544758735 650952422 /nfs/dbraw/zinc/95/24/22/650952422.db2.gz KEQUIRDBSDGEBD-UHFFFAOYSA-N -1 1 390.241 2.233 20 0 GEADMM O=C(Cc1ccc2c(c1)NC(=O)C2)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000182592687 644965794 /nfs/dbraw/zinc/96/57/94/644965794.db2.gz CJFFWQPBAHETGG-UHFFFAOYSA-N -1 1 378.215 2.492 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000182920311 644975206 /nfs/dbraw/zinc/97/52/06/644975206.db2.gz PJXJOASQBZTYES-UHFFFAOYSA-N -1 1 391.268 2.424 20 0 GEADMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000183320977 644991806 /nfs/dbraw/zinc/99/18/06/644991806.db2.gz MKHDIADNRMSFEF-SFYZADRCSA-N -1 1 399.694 2.364 20 0 GEADMM O=S(=O)([N-][C@@H](CCO)c1ccco1)c1cc(Br)cnc1Cl ZINC000184269840 645014288 /nfs/dbraw/zinc/01/42/88/645014288.db2.gz FZQZOYFPWFDGHV-VIFPVBQESA-N -1 1 395.662 2.493 20 0 GEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)Cc1c(Cl)cccc1Cl ZINC000184933307 645029240 /nfs/dbraw/zinc/02/92/40/645029240.db2.gz ITDHMAJKXZNPFR-UHFFFAOYSA-N -1 1 381.219 2.361 20 0 GEADMM CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(I)c([O-])c1 ZINC000545504558 650977471 /nfs/dbraw/zinc/97/74/71/650977471.db2.gz UCHRLHRNEXVITM-ZYHUDNBSSA-N -1 1 375.206 2.230 20 0 GEADMM CC(C)Oc1ccc(Br)cc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000545416597 650974183 /nfs/dbraw/zinc/97/41/83/650974183.db2.gz YPQQSAKEKJTMNP-UHFFFAOYSA-N -1 1 392.213 2.220 20 0 GEADMM COC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000186156780 645061394 /nfs/dbraw/zinc/06/13/94/645061394.db2.gz GJJHFVJCWTVRMY-SECBINFHSA-N -1 1 380.388 2.249 20 0 GEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1 ZINC000545830016 650981510 /nfs/dbraw/zinc/98/15/10/650981510.db2.gz WUIWKMNLQMOYFK-DEOSSOPVSA-N -1 1 381.475 2.081 20 0 GEADMM O=C(Nc1ccnc2ccnn21)c1cc(I)ccc1[O-] ZINC000191882718 645183902 /nfs/dbraw/zinc/18/39/02/645183902.db2.gz BQGUPAMMXWROBQ-UHFFFAOYSA-N -1 1 380.145 2.292 20 0 GEADMM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000546024919 650987705 /nfs/dbraw/zinc/98/77/05/650987705.db2.gz MSXQXSCIXBUINC-RXMQYKEDSA-N -1 1 390.086 2.169 20 0 GEADMM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546070717 650990232 /nfs/dbraw/zinc/99/02/32/650990232.db2.gz GWANIVZBSJYRQV-QWRGUYRKSA-N -1 1 393.303 2.404 20 0 GEADMM CC[C@@](C)(NC(=O)c1ccc(I)c([O-])c1)C(=O)OC ZINC000546165236 650993554 /nfs/dbraw/zinc/99/35/54/650993554.db2.gz AGOUFVXWOIAVIS-CYBMUJFWSA-N -1 1 377.178 2.068 20 0 GEADMM O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(I)c([O-])c1 ZINC000546193397 650995241 /nfs/dbraw/zinc/99/52/41/650995241.db2.gz QQIIYJZAERAMRB-UHFFFAOYSA-N -1 1 394.168 2.493 20 0 GEADMM Cn1nc2c(c1NC(=O)c1ccc(I)c([O-])c1)CCC2 ZINC000546202382 650995669 /nfs/dbraw/zinc/99/56/69/650995669.db2.gz KQKPPGAGPNGHJI-UHFFFAOYSA-N -1 1 383.189 2.471 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2nc(-c3cc(Cl)ccc3C)no2)cn1C ZINC000546396228 650998977 /nfs/dbraw/zinc/99/89/77/650998977.db2.gz LNRBOHNTMCSDGN-UHFFFAOYSA-N -1 1 381.845 2.219 20 0 GEADMM O=C1[C@@H](Sc2nc([O-])cc(=O)n2C2CCCC2)CCN1CC(F)(F)F ZINC000195023716 645355355 /nfs/dbraw/zinc/35/53/55/645355355.db2.gz IMFPZHOCPVTNCQ-JTQLQIEISA-N -1 1 377.388 2.319 20 0 GEADMM C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195160288 645358492 /nfs/dbraw/zinc/35/84/92/645358492.db2.gz DMPAACRUGRURAJ-LBPRGKRZSA-N -1 1 382.511 2.022 20 0 GEADMM C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195160288 645358509 /nfs/dbraw/zinc/35/85/09/645358509.db2.gz DMPAACRUGRURAJ-LBPRGKRZSA-N -1 1 382.511 2.022 20 0 GEADMM O=C(CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1)Nc1cccc(F)c1 ZINC000195163815 645359108 /nfs/dbraw/zinc/35/91/08/645359108.db2.gz RVTYENGKTFAKBP-UHFFFAOYSA-N -1 1 380.426 2.009 20 0 GEADMM O=C(CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1)Nc1cccc(F)c1 ZINC000195163815 645359121 /nfs/dbraw/zinc/35/91/21/645359121.db2.gz RVTYENGKTFAKBP-UHFFFAOYSA-N -1 1 380.426 2.009 20 0 GEADMM O=S(=O)([N-][C@@H]1CCCC[C@@H]1N1CCOCC1)c1c(F)cccc1Cl ZINC000546626636 651005384 /nfs/dbraw/zinc/00/53/84/651005384.db2.gz MTZFFYFQZAUDRH-CABCVRRESA-N -1 1 376.881 2.401 20 0 GEADMM COCCOCCCCNC(=O)c1cc(I)ccc1[O-] ZINC000226300397 645390614 /nfs/dbraw/zinc/39/06/14/645390614.db2.gz OAXPTTKEKOQVFX-UHFFFAOYSA-N -1 1 393.221 2.170 20 0 GEADMM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccccc1I ZINC000227864848 645394560 /nfs/dbraw/zinc/39/45/60/645394560.db2.gz RQNVJNJPUVNNAT-UHFFFAOYSA-N -1 1 397.625 2.479 20 0 GEADMM CN(C[C@@H]1CCCOC1)C(=O)c1ccc(I)c([O-])c1 ZINC000230894101 645401372 /nfs/dbraw/zinc/40/13/72/645401372.db2.gz NRDZDPDNUIJOQX-JTQLQIEISA-N -1 1 375.206 2.495 20 0 GEADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(I)c([O-])c1 ZINC000230903570 645402695 /nfs/dbraw/zinc/40/26/95/645402695.db2.gz UKMMMQSDLHUZMD-CABCVRRESA-N -1 1 395.196 2.385 20 0 GEADMM CN(C(=O)c1ccc(I)c([O-])c1)[C@@H]1CCCC[C@H]1O ZINC000234300547 645406399 /nfs/dbraw/zinc/40/63/99/645406399.db2.gz WPIQVFOLSKPVRO-VXGBXAGGSA-N -1 1 375.206 2.372 20 0 GEADMM O=C(CC[N-]S(=O)(=O)c1ccc(Br)o1)NCc1ccccc1 ZINC000546769599 651009230 /nfs/dbraw/zinc/00/92/30/651009230.db2.gz IESRHUXBRSZHCB-UHFFFAOYSA-N -1 1 387.255 2.027 20 0 GEADMM Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000546897757 651013908 /nfs/dbraw/zinc/01/39/08/651013908.db2.gz YHZCBGOGRCAJTE-NSHDSACASA-N -1 1 397.216 2.360 20 0 GEADMM COC(=O)CCC(C)(C)NC(=O)c1ccc(I)c([O-])c1 ZINC000546918161 651014608 /nfs/dbraw/zinc/01/46/08/651014608.db2.gz SNQNPQDXBZPUCC-UHFFFAOYSA-N -1 1 391.205 2.458 20 0 GEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1 ZINC000547242396 651019308 /nfs/dbraw/zinc/01/93/08/651019308.db2.gz NDKSCTUQGLGUPR-XMMPIXPASA-N -1 1 380.491 2.068 20 0 GEADMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000253551683 645570958 /nfs/dbraw/zinc/57/09/58/645570958.db2.gz UMDBNYXSZUQILA-DSGZJRDPSA-N -1 1 385.555 2.341 20 0 GEADMM CCc1nc(CN2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)no1 ZINC000264602432 645695329 /nfs/dbraw/zinc/69/53/29/645695329.db2.gz FKCFVSKXHGYTKZ-UHFFFAOYSA-N -1 1 395.257 2.058 20 0 GEADMM O=C([O-])[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547589841 651036885 /nfs/dbraw/zinc/03/68/85/651036885.db2.gz URUAAVKQQJEFMO-GFCCVEGCSA-N -1 1 388.760 2.492 20 0 GEADMM CCN(CC)S(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000264827530 645723064 /nfs/dbraw/zinc/72/30/64/645723064.db2.gz HNOKSSUQLYCKAY-UHFFFAOYSA-N -1 1 383.495 2.486 20 0 GEADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)c1 ZINC000547703864 651042475 /nfs/dbraw/zinc/04/24/75/651042475.db2.gz JJKJNVJDHFEGSE-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM COCCS(=O)(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000265662144 645789141 /nfs/dbraw/zinc/78/91/41/645789141.db2.gz YJQIXURJZRAIGB-UHFFFAOYSA-N -1 1 384.479 2.184 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1c(Cl)cccc1C(F)(F)F ZINC000265790504 645801121 /nfs/dbraw/zinc/80/11/21/645801121.db2.gz MGDDMSPOPUHGBY-MRVPVSSYSA-N -1 1 391.820 2.072 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1c(Cl)cccc1C(F)(F)F ZINC000265790505 645801276 /nfs/dbraw/zinc/80/12/76/645801276.db2.gz MGDDMSPOPUHGBY-QMMMGPOBSA-N -1 1 391.820 2.072 20 0 GEADMM COc1ccc(NC(=O)c2csc(NC3CC3)n2)cc1[N-]S(C)(=O)=O ZINC000265865442 645808359 /nfs/dbraw/zinc/80/83/59/645808359.db2.gz XOLLRBPBCPOPDL-UHFFFAOYSA-N -1 1 382.467 2.350 20 0 GEADMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCOC1 ZINC000268053373 645943132 /nfs/dbraw/zinc/94/31/32/645943132.db2.gz MNRPMVFTVVFZOV-LBPRGKRZSA-N -1 1 388.656 2.257 20 0 GEADMM 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C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774886628 653265760 /nfs/dbraw/zinc/26/57/60/653265760.db2.gz PPBJPWUNEDCLNC-VIFPVBQESA-N -1 1 380.750 2.070 20 0 GEADMM O=C(CCc1nc(-c2cccs2)no1)OCCC[N-]C(=O)C(F)(F)F ZINC000774896452 653266577 /nfs/dbraw/zinc/26/65/77/653266577.db2.gz NKYWYQZLKSHAJE-UHFFFAOYSA-N -1 1 377.344 2.343 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)CC(C)C)c(F)cc1Cl ZINC000809393386 653267056 /nfs/dbraw/zinc/26/70/56/653267056.db2.gz DKWTYRIZSWFFSU-SNVBAGLBSA-N -1 1 381.853 2.341 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]Cc2cnn(C)c2C)c(F)cc1Cl ZINC000809395747 653268878 /nfs/dbraw/zinc/26/88/78/653268878.db2.gz PNJASYUGZIRCPR-UHFFFAOYSA-N -1 1 389.836 2.176 20 0 GEADMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@H](O)c1ccc(Br)cc1 ZINC000774948781 653273219 /nfs/dbraw/zinc/27/32/19/653273219.db2.gz IJFBUIULSPIYFE-SNVBAGLBSA-N -1 1 384.148 2.094 20 0 GEADMM CCc1csc(-n2cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cn2)n1 ZINC000774989005 653278911 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/nfs/dbraw/zinc/74/94/83/653749483.db2.gz CMODNMMOJHSSOE-UHFFFAOYSA-N -1 1 393.221 2.122 20 0 GEADMM Cc1nc(C[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)sc1C ZINC000881957145 653752790 /nfs/dbraw/zinc/75/27/90/653752790.db2.gz VEDFMNXBZHUBJK-HSZRJFAPSA-N -1 1 388.540 2.098 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000881961527 653753299 /nfs/dbraw/zinc/75/32/99/653753299.db2.gz YSMZFCOMRYSPIR-CGQWYARDSA-N -1 1 394.466 2.022 20 0 GEADMM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881980174 653754497 /nfs/dbraw/zinc/75/44/97/653754497.db2.gz CHKAFWQJDYMDLY-IUCAKERBSA-N -1 1 388.795 2.226 20 0 GEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Br)cc1F)N(C)C ZINC000842405292 653755510 /nfs/dbraw/zinc/75/55/10/653755510.db2.gz NXXGGMVONFBFRD-CYBMUJFWSA-N -1 1 395.294 2.120 20 0 GEADMM O=C(c1c(Br)nc2n1CCCC2)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819968329 653763938 /nfs/dbraw/zinc/76/39/38/653763938.db2.gz QLHFHEGGELNBLD-SECBINFHSA-N -1 1 396.245 2.090 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1)C1CCCCC1 ZINC000882137340 653765235 /nfs/dbraw/zinc/76/52/35/653765235.db2.gz FWXJNIBFTNZMBJ-HSZRJFAPSA-N -1 1 378.560 2.194 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)N1CCCC1 ZINC000882147620 653765982 /nfs/dbraw/zinc/76/59/82/653765982.db2.gz DKLHFPIZUHFQFM-UHFFFAOYSA-N -1 1 399.822 2.433 20 0 GEADMM Cn1ncc2ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)cc21 ZINC000882214265 653769956 /nfs/dbraw/zinc/76/99/56/653769956.db2.gz SOTVFIGCLPSAKL-DEOSSOPVSA-N -1 1 384.527 2.338 20 0 GEADMM CC1(C)C[C@](C)([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C(=O)O1 ZINC000882224583 653770935 /nfs/dbraw/zinc/77/09/35/653770935.db2.gz ZVHGGOWTMKOOAK-ZDUSSCGKSA-N -1 1 385.335 2.487 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@@H](CO)c1ccc(F)cc1)C1CCCCC1 ZINC000882260498 653773215 /nfs/dbraw/zinc/77/32/15/653773215.db2.gz HLLOZHHCRLGYBU-BSEYFRJRSA-N -1 1 392.518 2.167 20 0 GEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cn2ccc3ccc(Cl)cc32)CCC1 ZINC000843017863 653777173 /nfs/dbraw/zinc/77/71/73/653777173.db2.gz CMWDEVNNGFOCEE-UHFFFAOYSA-N -1 1 383.901 2.225 20 0 GEADMM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000789921646 653782958 /nfs/dbraw/zinc/78/29/58/653782958.db2.gz ORZAKOUAPDXFPP-AWEZNQCLSA-N -1 1 393.237 2.454 20 0 GEADMM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000790054347 653786209 /nfs/dbraw/zinc/78/62/09/653786209.db2.gz LFZUFVUOOUYTQT-UHFFFAOYSA-N -1 1 382.797 2.066 20 0 GEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CC3(Cl)Cl)c2)n1 ZINC000790160874 653787498 /nfs/dbraw/zinc/78/74/98/653787498.db2.gz VWHXFRSNEIXYMJ-NSHDSACASA-N -1 1 383.235 2.458 20 0 GEADMM COCCNC(=O)C1([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843605490 653790217 /nfs/dbraw/zinc/79/02/17/653790217.db2.gz KJKCAWNVHNVMSH-UHFFFAOYSA-N -1 1 381.206 2.497 20 0 GEADMM CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000790437820 653791858 /nfs/dbraw/zinc/79/18/58/653791858.db2.gz RMPBVAIOXMGUNK-SNAWJCMRSA-N -1 1 395.275 2.401 20 0 GEADMM CC(C)(C)OC(=O)NC/C=C\C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000790437819 653791937 /nfs/dbraw/zinc/79/19/37/653791937.db2.gz RMPBVAIOXMGUNK-PLNGDYQASA-N -1 1 395.275 2.401 20 0 GEADMM O=S(=O)([N-]CC[C@@H]1CCCS1(=O)=O)c1c(Cl)cc(F)cc1Cl ZINC000882673022 653796743 /nfs/dbraw/zinc/79/67/43/653796743.db2.gz FBQUKGZERKHIDN-VIFPVBQESA-N -1 1 390.285 2.378 20 0 GEADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cccc(COc2ccccc2)c1 ZINC000882680263 653797655 /nfs/dbraw/zinc/79/76/55/653797655.db2.gz RUSRTBIIRYUCFE-XMMPIXPASA-N -1 1 383.495 2.497 20 0 GEADMM CCCOc1ccc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)cc1OC ZINC000866480196 653797868 /nfs/dbraw/zinc/79/78/68/653797868.db2.gz ASQJPXURKNNGEP-UHFFFAOYSA-N -1 1 378.516 2.326 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccnc(OCc2ccccc2)c1 ZINC000866498304 653799004 /nfs/dbraw/zinc/79/90/04/653799004.db2.gz WYADSRCSGAFKFF-DEOSSOPVSA-N -1 1 383.495 2.113 20 0 GEADMM CC(C)Cn1cc([N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)cn1 ZINC000882708330 653799072 /nfs/dbraw/zinc/79/90/72/653799072.db2.gz BSIOOXLFXPTGMZ-DEOSSOPVSA-N -1 1 385.515 2.200 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(OCc2ccccn2)c1 ZINC000866500967 653799209 /nfs/dbraw/zinc/79/92/09/653799209.db2.gz WNHAVVGQRWYXRQ-XMMPIXPASA-N -1 1 383.495 2.113 20 0 GEADMM CC(C)Oc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cn1 ZINC000866512303 653799933 /nfs/dbraw/zinc/79/99/33/653799933.db2.gz XGXIPOJWNUTFNI-DEOSSOPVSA-N -1 1 383.495 2.360 20 0 GEADMM COC(=O)[C@@](C)(Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000882717299 653799960 /nfs/dbraw/zinc/79/99/60/653799960.db2.gz TWMPKRIBCIUPOG-IUODEOHRSA-N -1 1 379.400 2.265 20 0 GEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000866573877 653802858 /nfs/dbraw/zinc/80/28/58/653802858.db2.gz ZTLBEEKUAPFDDX-MRXNPFEDSA-N -1 1 386.495 2.005 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)[C@@H]1CCCOC1 ZINC000882761439 653805312 /nfs/dbraw/zinc/80/53/12/653805312.db2.gz BWJOIBYEMZLBIY-VFDKELDYSA-N -1 1 378.491 2.322 20 0 GEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]CCc1cc(Br)ccc1F ZINC000866606336 653805931 /nfs/dbraw/zinc/80/59/31/653805931.db2.gz VQDXJWKFFLVKHV-UHFFFAOYSA-N -1 1 399.307 2.227 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(OC2CCCCC2)nc1 ZINC000866684857 653811379 /nfs/dbraw/zinc/81/13/79/653811379.db2.gz VJQJWNAUCKQXNU-HSZRJFAPSA-N -1 1 375.516 2.245 20 0 GEADMM COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821898762 653811492 /nfs/dbraw/zinc/81/14/92/653811492.db2.gz ROUXPWCZZNLJPR-UHFFFAOYSA-N -1 1 379.829 2.354 20 0 GEADMM COc1cccc(Br)c1CS(=O)(=O)[N-][C@@H](C)c1nc(C)no1 ZINC000866688745 653812060 /nfs/dbraw/zinc/81/20/60/653812060.db2.gz XTKDPQSZUMFJRZ-QMMMGPOBSA-N -1 1 390.259 2.330 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(C)c1ccc(OC)c(OC)c1 ZINC000866743987 653818107 /nfs/dbraw/zinc/81/81/07/653818107.db2.gz APOZYQMPIJLUKO-UHFFFAOYSA-N -1 1 392.543 2.324 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000866795449 653827699 /nfs/dbraw/zinc/82/76/99/653827699.db2.gz YRFANNFTXOWDSJ-YYUOZPCZSA-N -1 1 399.460 2.236 20 0 GEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C12CCCC2 ZINC000866894026 653845367 /nfs/dbraw/zinc/84/53/67/653845367.db2.gz YOYRQKUYDBYYSH-NWDGAFQWSA-N -1 1 381.420 2.455 20 0 GEADMM O=C(c1ccc(I)cc1[O-])N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000866895094 653845371 /nfs/dbraw/zinc/84/53/71/653845371.db2.gz DFCSJQFAWJAKRJ-GHMZBOCLSA-N -1 1 387.217 2.495 20 0 GEADMM C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(I)cc1[O-] ZINC000866923991 653850247 /nfs/dbraw/zinc/85/02/47/653850247.db2.gz PULNFRNYPTWECE-ONGXEEELSA-N -1 1 375.206 2.372 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]CC1(CO)CCCCC1)c1ccccc1F ZINC000866935730 653852069 /nfs/dbraw/zinc/85/20/69/653852069.db2.gz FRCVKIPZFSVBIF-QHCPKHFHSA-N -1 1 378.491 2.060 20 0 GEADMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)nc2F)nc1C ZINC000866949721 653853850 /nfs/dbraw/zinc/85/38/50/653853850.db2.gz TUICYMCILXCHCN-MRVPVSSYSA-N -1 1 391.421 2.341 20 0 GEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000866975337 653858779 /nfs/dbraw/zinc/85/87/79/653858779.db2.gz ZZSZWWBNKARJKW-LDYMZIIASA-N -1 1 381.351 2.358 20 0 GEADMM O=S(=O)([N-][C@H](c1ccccc1)[C@@H]1CCOC1)c1nc[nH]c1Br ZINC000867048450 653870882 /nfs/dbraw/zinc/87/08/82/653870882.db2.gz APOKQMUTHPDTLU-VXGBXAGGSA-N -1 1 386.271 2.228 20 0 GEADMM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CCO1 ZINC000867065227 653873944 /nfs/dbraw/zinc/87/39/44/653873944.db2.gz LIPHCIZHBKDULM-GHMZBOCLSA-N -1 1 380.308 2.434 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1F ZINC000867113626 653880890 /nfs/dbraw/zinc/88/08/90/653880890.db2.gz VCEMYQOVSVZUFD-WOZUBWMWSA-N -1 1 376.475 2.074 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CCC2(CO)CCC2)c(F)cc1Cl ZINC000846019789 653881213 /nfs/dbraw/zinc/88/12/13/653881213.db2.gz XQEVTHYJGQUBQK-UHFFFAOYSA-N -1 1 379.837 2.097 20 0 GEADMM Cc1[nH]ncc1CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000824050562 653884371 /nfs/dbraw/zinc/88/43/71/653884371.db2.gz GOGCSYVZYJCCBD-UHFFFAOYSA-N -1 1 376.360 2.252 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1nc[nH]c1Br ZINC000867179683 653889427 /nfs/dbraw/zinc/88/94/27/653889427.db2.gz BDGFIHRDJXKMHJ-SNVBAGLBSA-N -1 1 378.292 2.332 20 0 GEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)sn1 ZINC000867192517 653891362 /nfs/dbraw/zinc/89/13/62/653891362.db2.gz XJDDREFWJRHFLA-CMPLNLGQSA-N -1 1 375.516 2.375 20 0 GEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000867205194 653894293 /nfs/dbraw/zinc/89/42/93/653894293.db2.gz FMRBNBQRRNBZJI-QWHCGFSZSA-N -1 1 393.328 2.401 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000867217840 653896533 /nfs/dbraw/zinc/89/65/33/653896533.db2.gz KEDAPQXBFAAUED-GFCCVEGCSA-N -1 1 395.790 2.469 20 0 GEADMM C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(I)cc1[O-] ZINC000867233627 653899544 /nfs/dbraw/zinc/89/95/44/653899544.db2.gz WJRXMLWHYHFGGT-JOYOIKCWSA-N -1 1 375.206 2.372 20 0 GEADMM C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(I)cc1[O-] ZINC000867233625 653899439 /nfs/dbraw/zinc/89/94/39/653899439.db2.gz WJRXMLWHYHFGGT-BXKDBHETSA-N -1 1 375.206 2.372 20 0 GEADMM O=S(=O)(CC[N-]S(=O)(=O)c1ccc(C(F)F)o1)CCc1ccccc1 ZINC000867233687 653899467 /nfs/dbraw/zinc/89/94/67/653899467.db2.gz XSSCDXDHZZLSAW-UHFFFAOYSA-N -1 1 393.433 2.153 20 0 GEADMM COc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3cc(C)ns3)C2)cc1F ZINC000867236730 653900425 /nfs/dbraw/zinc/90/04/25/653900425.db2.gz REZNWVLZRRMXLZ-NSHDSACASA-N -1 1 385.442 2.071 20 0 GEADMM O=S(=O)([N-]Cc1cc(Br)c2c(c1)OCCO2)c1ccns1 ZINC000884979093 653902700 /nfs/dbraw/zinc/90/27/00/653902700.db2.gz DKIREHGMICJZAD-UHFFFAOYSA-N -1 1 391.268 2.155 20 0 GEADMM O=S(=O)([N-][C@@H](CCO)c1ccccc1Br)c1ccns1 ZINC000885098528 653912055 /nfs/dbraw/zinc/91/20/55/653912055.db2.gz OWWJOUMVJXEUGR-NSHDSACASA-N -1 1 377.285 2.308 20 0 GEADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)cnc2Cl)s1 ZINC000885254658 653921147 /nfs/dbraw/zinc/92/11/47/653921147.db2.gz RVYCXMUOYJLQMB-QMMMGPOBSA-N -1 1 375.859 2.326 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C1(CO)CCCC1 ZINC000867375448 653924658 /nfs/dbraw/zinc/92/46/58/653924658.db2.gz FEYQHFUERIKOAY-JTQLQIEISA-N -1 1 380.308 2.028 20 0 GEADMM CC[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)CC(F)(F)F ZINC000867404598 653927959 /nfs/dbraw/zinc/92/79/59/653927959.db2.gz RUZDOHSMPSWSAX-SSDOTTSWSA-N -1 1 378.214 2.440 20 0 GEADMM CC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000885385653 653930648 /nfs/dbraw/zinc/93/06/48/653930648.db2.gz MHMORMXMYSNZFS-YUMQZZPRSA-N -1 1 387.811 2.335 20 0 GEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C1(CO)CC=CC1 ZINC000867453413 653934567 /nfs/dbraw/zinc/93/45/67/653934567.db2.gz QCNBBAYQEGHEJI-GFCCVEGCSA-N -1 1 381.420 2.071 20 0 GEADMM Cn1cc([C@H]2C[C@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)CCO2)cn1 ZINC000867481450 653938440 /nfs/dbraw/zinc/93/84/40/653938440.db2.gz SOCNCCRGGRSFNK-ZYHUDNBSSA-N -1 1 391.280 2.321 20 0 GEADMM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C1=O ZINC000867500619 653941260 /nfs/dbraw/zinc/94/12/60/653941260.db2.gz AZFIRYOMJHJSJK-RISCZKNCSA-N -1 1 377.293 2.077 20 0 GEADMM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000867503398 653941803 /nfs/dbraw/zinc/94/18/03/653941803.db2.gz ZJJOHMYMXUTRFE-MVWJERBFSA-N -1 1 383.297 2.233 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl)c1cccc(OC)c1 ZINC000867506742 653942030 /nfs/dbraw/zinc/94/20/30/653942030.db2.gz FGQNBZXYEFYVGC-JSGCOSHPSA-N -1 1 396.292 2.413 20 0 GEADMM CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674220 653942400 /nfs/dbraw/zinc/94/24/00/653942400.db2.gz KVGXWQLHVHMFKE-SNVBAGLBSA-N -1 1 384.882 2.184 20 0 GEADMM O=S(=O)([N-]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccc(F)nc1F ZINC000885672893 653942463 /nfs/dbraw/zinc/94/24/63/653942463.db2.gz WJIVSEQUIXOZSG-LBPRGKRZSA-N -1 1 376.425 2.004 20 0 GEADMM O=C(CSc1nnnn1CC(F)(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000885676133 653942682 /nfs/dbraw/zinc/94/26/82/653942682.db2.gz JNJLFZGTQDAFFQ-UHFFFAOYSA-N -1 1 385.730 2.464 20 0 GEADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000885680475 653943843 /nfs/dbraw/zinc/94/38/43/653943843.db2.gz RHPODTUQWMBYAY-RITPCOANSA-N -1 1 375.727 2.346 20 0 GEADMM COc1ccc(Br)c(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826187083 653948218 /nfs/dbraw/zinc/94/82/18/653948218.db2.gz ZDZPUCKFIFWRMF-UHFFFAOYSA-N -1 1 393.201 2.115 20 0 GEADMM COc1ccc(Br)c(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826187083 653948219 /nfs/dbraw/zinc/94/82/19/653948219.db2.gz ZDZPUCKFIFWRMF-UHFFFAOYSA-N -1 1 393.201 2.115 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)N1CCCC1 ZINC000795369188 653948406 /nfs/dbraw/zinc/94/84/06/653948406.db2.gz WONXURRVHBVOGS-UHFFFAOYSA-N -1 1 393.278 2.268 20 0 GEADMM COC(=O)[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000885767719 653953363 /nfs/dbraw/zinc/95/33/63/653953363.db2.gz BWXLTYQBJZOQCP-RISCZKNCSA-N -1 1 379.837 2.009 20 0 GEADMM 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/nfs/dbraw/zinc/48/08/66/654480866.db2.gz YCPHJZIHUWTFOI-SVRRBLITSA-N -1 1 397.195 2.010 20 0 GEADMM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000906883626 654482867 /nfs/dbraw/zinc/48/28/67/654482867.db2.gz VIUOPZQVWHEDDL-KRWDZBQOSA-N -1 1 386.539 2.224 20 0 GEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(Cl)s1 ZINC000856747045 654490124 /nfs/dbraw/zinc/49/01/24/654490124.db2.gz BGERPUCQWZHYNQ-ZCFIWIBFSA-N -1 1 379.859 2.129 20 0 GEADMM C[C@@H]1[C@@H](C)CN1S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907212896 654520523 /nfs/dbraw/zinc/52/05/23/654520523.db2.gz MECWLBWMJVKHDP-NWDGAFQWSA-N -1 1 378.416 2.327 20 0 GEADMM NC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2F)c(Br)cc1F ZINC000907318443 654531357 /nfs/dbraw/zinc/53/13/57/654531357.db2.gz QTIBSEDSZLGKNL-GXSJLCMTSA-N -1 1 397.241 2.246 20 0 GEADMM CCON(CC)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907321326 654531924 /nfs/dbraw/zinc/53/19/24/654531924.db2.gz GUUJUSKKSXDUGD-UHFFFAOYSA-N -1 1 382.404 2.260 20 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/nfs/dbraw/zinc/59/18/55/654591855.db2.gz QPRHUBWMCNQKHC-UHFFFAOYSA-N -1 1 392.193 2.109 20 0 GEADMM O=S(=O)([N-][C@H]1c2ccccc2OC[C@H]1CO)c1ccc(Cl)nc1Cl ZINC000907953116 654592467 /nfs/dbraw/zinc/59/24/67/654592467.db2.gz OGJYDSITJPXZJM-YMTOWFKASA-N -1 1 389.260 2.409 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1CC(CCO)C1 ZINC000908057375 654600783 /nfs/dbraw/zinc/60/07/83/654600783.db2.gz SFWGCALEMPUGTG-UHFFFAOYSA-N -1 1 382.265 2.219 20 0 GEADMM Cn1cc([C@@]2(C[N-]S(=O)(=O)c3cc(Cl)cnc3Cl)CCCO2)cn1 ZINC000908108854 654605022 /nfs/dbraw/zinc/60/50/22/654605022.db2.gz OPRISFVHSMLUMY-AWEZNQCLSA-N -1 1 391.280 2.106 20 0 GEADMM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000908396150 654625350 /nfs/dbraw/zinc/62/53/50/654625350.db2.gz LHHOCOZWKXJPOH-GFCCVEGCSA-N -1 1 398.293 2.162 20 0 GEADMM CC1=C(C(=O)Nc2cccc([O-])c2Br)[C@@H](C)n2nnnc2N1C ZINC000908708431 654638144 /nfs/dbraw/zinc/63/81/44/654638144.db2.gz WGSRRAGRPPRCIF-MRVPVSSYSA-N -1 1 379.218 2.065 20 0 GEADMM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cccc([O-])c1Br ZINC000908710157 654638587 /nfs/dbraw/zinc/63/85/87/654638587.db2.gz YHMJHGBSHGKCFR-LLVKDONJSA-N -1 1 379.276 2.057 20 0 GEADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc([O-])c1Br ZINC000908714338 654638709 /nfs/dbraw/zinc/63/87/09/654638709.db2.gz JXJISMFQOLLWFB-UHFFFAOYSA-N -1 1 396.241 2.348 20 0 GEADMM CN(C(=O)N[C@H]1CCCN(C)C1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC000908868744 654642369 /nfs/dbraw/zinc/64/23/69/654642369.db2.gz ACPTYMTZRSONOM-JOYOIKCWSA-N -1 1 390.303 2.372 20 0 GEADMM C[C@H](Cc1ccccc1Br)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909414983 654664082 /nfs/dbraw/zinc/66/40/82/654664082.db2.gz KVDDYHZSDASMFV-TZMCWYRMSA-N -1 1 383.286 2.293 20 0 GEADMM C[C@@H](Cc1ccccc1Br)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909414978 654664187 /nfs/dbraw/zinc/66/41/87/654664187.db2.gz KVDDYHZSDASMFV-GXTWGEPZSA-N -1 1 383.286 2.293 20 0 GEADMM COc1ccc([C@H](NC(=O)CN2CCC(C)CC2)C(=O)[O-])cc1Br ZINC000909774578 654675342 /nfs/dbraw/zinc/67/53/42/654675342.db2.gz KDLVSWNVGCOVDW-INIZCTEOSA-N -1 1 399.285 2.432 20 0 GEADMM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000909800023 654675884 /nfs/dbraw/zinc/67/58/84/654675884.db2.gz QVUIPNYMCLDVOX-WCBMZHEXSA-N -1 1 379.210 2.226 20 0 GEADMM O=C([O-])[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000909850560 654678922 /nfs/dbraw/zinc/67/89/22/654678922.db2.gz DGHXJVXQNCQSOZ-LSDHHAIUSA-N -1 1 392.253 2.432 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000910172791 654690566 /nfs/dbraw/zinc/69/05/66/654690566.db2.gz FTXXDBHDKNSCSR-SNVBAGLBSA-N -1 1 382.873 2.413 20 0 GEADMM C[C@H](CN1CCOCC1)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910710747 654707655 /nfs/dbraw/zinc/70/76/55/654707655.db2.gz SJRMYIDBBHDOEK-DOMZBBRYSA-N -1 1 399.285 2.002 20 0 GEADMM CN(CC(=O)N1CCC(Cc2nc(C(=O)[O-])cs2)CC1)[C@@H]1CCSC1 ZINC000910790436 654711161 /nfs/dbraw/zinc/71/11/61/654711161.db2.gz KTPOJYCCJZGWLW-CYBMUJFWSA-N -1 1 383.539 2.060 20 0 GEADMM O=C([O-])c1cc(Br)cc(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000910985727 654715047 /nfs/dbraw/zinc/71/50/47/654715047.db2.gz BVZQMXPPTATQNH-KBPBESRZSA-N -1 1 399.310 2.457 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCCCC[C@@H]1CO ZINC000911966685 654737960 /nfs/dbraw/zinc/73/79/60/654737960.db2.gz ZXORLPTVSAKGII-LLVKDONJSA-N -1 1 395.308 2.035 20 0 GEADMM CSCC[C@H](NC(=O)Cc1cccc(Br)c1C)c1nn[n-]n1 ZINC000912862608 654771880 /nfs/dbraw/zinc/77/18/80/654771880.db2.gz RSXDLLMEJDKGEJ-LBPRGKRZSA-N -1 1 384.303 2.424 20 0 GEADMM CSCC[C@H](NC(=O)c1cc(Cl)nc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000912861762 654771902 /nfs/dbraw/zinc/77/19/02/654771902.db2.gz WZMPXGFVRQWMMD-ZETCQYMHSA-N -1 1 380.783 2.491 20 0 GEADMM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494226 654795672 /nfs/dbraw/zinc/79/56/72/654795672.db2.gz BBURJVGHNCVGBW-SECBINFHSA-N -1 1 396.885 2.181 20 0 GEADMM O=C(CCOc1cccc(Br)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742234 654807202 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GEADMM O=C([O-])c1cccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000915222607 654865975 /nfs/dbraw/zinc/86/59/75/654865975.db2.gz MYOUMZWCFIGSEF-UHFFFAOYSA-N -1 1 384.523 2.025 20 0 GEADMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)NCC1CCCCC1 ZINC000915876181 654881362 /nfs/dbraw/zinc/88/13/62/654881362.db2.gz KTFUIFRMSFTDTJ-LLVKDONJSA-N -1 1 388.511 2.361 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000915877014 654881460 /nfs/dbraw/zinc/88/14/60/654881460.db2.gz JSAMUBMUWXDXMO-SDDRHHMPSA-N -1 1 388.511 2.360 20 0 GEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)Nc1cccc(F)c1 ZINC000915877450 654881509 /nfs/dbraw/zinc/88/15/09/654881509.db2.gz XAKDRWMMOWFXCW-VIFPVBQESA-N -1 1 386.426 2.443 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](OC)C2CC2)c1F ZINC000915898866 654881846 /nfs/dbraw/zinc/88/18/46/654881846.db2.gz NRKUZUOMEMZVPT-NSHDSACASA-N -1 1 382.251 2.300 20 0 GEADMM CCn1ccnc1C[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916050289 654885890 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CS(=O)(=O)C1(CNC(=O)c2ccc(Br)cc2[O-])CCCC1 ZINC000436674749 532641106 /nfs/dbraw/zinc/64/11/06/532641106.db2.gz IZWHQSJDSBYBFH-UHFFFAOYSA-N -1 1 376.272 2.242 20 0 GEADMM CC(C)CN1C[C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCN2C1=O ZINC000436706777 532641300 /nfs/dbraw/zinc/64/13/00/532641300.db2.gz DDMNBBSFFKCVOX-ZDUSSCGKSA-N -1 1 396.285 2.373 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)o1 ZINC000264106608 532661164 /nfs/dbraw/zinc/66/11/64/532661164.db2.gz UTCKPZABRGCMHT-CQSZACIVSA-N -1 1 384.841 2.055 20 0 GEADMM Cn1nccc1[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc3ccccc3s2)CCO1 ZINC000567775227 532663253 /nfs/dbraw/zinc/66/32/53/532663253.db2.gz FAYDAMZAGIFQOY-FZMZJTMJSA-N -1 1 378.479 2.228 20 0 GEADMM O=C([O-])C[C@H](CCNS(=O)(=O)c1ccc(F)c(F)c1F)C(F)(F)F ZINC000285090380 532647097 /nfs/dbraw/zinc/64/70/97/532647097.db2.gz LQZMCOHUVYQAJB-LURJTMIESA-N -1 1 379.278 2.426 20 0 GEADMM O=C(c1cc(Br)c2nccn2c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000632877723 532648090 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COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(O)CCCCCC2)c1F ZINC000599242903 532656090 /nfs/dbraw/zinc/65/60/90/532656090.db2.gz CDLVDZGZFYIEHM-UHFFFAOYSA-N -1 1 377.409 2.115 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cs1 ZINC000377471435 532658484 /nfs/dbraw/zinc/65/84/84/532658484.db2.gz KVAAMXDKSDSEOO-UHFFFAOYSA-N -1 1 377.403 2.410 20 0 GEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3cc(F)c(F)cc3F)[C@@H]2C1 ZINC000568117451 532671918 /nfs/dbraw/zinc/67/19/18/532671918.db2.gz RCZBYJDRXXEOPQ-RWSFTLGLSA-N -1 1 376.400 2.029 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000534902143 532674216 /nfs/dbraw/zinc/67/42/16/532674216.db2.gz LXWUBQKZENUVCS-JTQLQIEISA-N -1 1 376.406 2.285 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(F)c1F ZINC000298797429 532675886 /nfs/dbraw/zinc/67/58/86/532675886.db2.gz FDWHLGFSYSAOFO-QMMMGPOBSA-N -1 1 376.322 2.266 20 0 GEADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1 ZINC000438762920 532676457 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20 0 GEADMM CC1(C)CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000408237212 532713261 /nfs/dbraw/zinc/71/32/61/532713261.db2.gz MSAZZEWYAPSYQY-UHFFFAOYSA-N -1 1 378.491 2.398 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000408238720 532714004 /nfs/dbraw/zinc/71/40/04/532714004.db2.gz VXQXIWWGBHAYLN-FZMZJTMJSA-N -1 1 376.475 2.150 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000539116093 532723598 /nfs/dbraw/zinc/72/35/98/532723598.db2.gz YLNSUISKFQVAHZ-UHFFFAOYSA-N -1 1 384.479 2.183 20 0 GEADMM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H](C)c2nc(C)no2)c1 ZINC000409591750 532725801 /nfs/dbraw/zinc/72/58/01/532725801.db2.gz NTMXGQJDAIPBAJ-QMMMGPOBSA-N -1 1 390.259 2.330 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCCSC1 ZINC000576198927 532726343 /nfs/dbraw/zinc/72/63/43/532726343.db2.gz FFZHXCKXTUNYKM-SECBINFHSA-N -1 1 383.322 2.284 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c[nH]1 ZINC000266419140 532718913 /nfs/dbraw/zinc/71/89/13/532718913.db2.gz IITRQFAKYQQBBZ-UHFFFAOYSA-N -1 1 381.479 2.155 20 0 GEADMM O=S(=O)([N-][C@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc(F)cc1F ZINC000443231795 532742918 /nfs/dbraw/zinc/74/29/18/532742918.db2.gz QRVSFAMOAVFRAR-HIFRSBDPSA-N -1 1 377.359 2.480 20 0 GEADMM C[C@@H]1COCCN1C1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000615090367 532745582 /nfs/dbraw/zinc/74/55/82/532745582.db2.gz QVALWGDMJOSNKI-GFCCVEGCSA-N -1 1 383.286 2.480 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c[nH]1 ZINC000299650482 532732872 /nfs/dbraw/zinc/73/28/72/532732872.db2.gz XAIWTRLHRSHDKG-UHFFFAOYSA-N -1 1 385.829 2.004 20 0 GEADMM O=C(NCCn1ccccc1=O)c1c([O-])cnc2c(Br)cccc21 ZINC000577112305 532734811 /nfs/dbraw/zinc/73/48/11/532734811.db2.gz VUQDHTVIYWZJMV-UHFFFAOYSA-N -1 1 388.221 2.295 20 0 GEADMM Cc1ccc(Sc2nc(=NC(=O)NCCCc3nc[nH]n3)s[n-]2)cc1 ZINC000578472794 532735753 /nfs/dbraw/zinc/73/57/53/532735753.db2.gz NWWMDIMHGRHCQK-UHFFFAOYSA-N -1 1 375.483 2.292 20 0 GEADMM COc1cncc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000410384758 532738111 /nfs/dbraw/zinc/73/81/11/532738111.db2.gz VVUNTPQWVCOXQE-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)ccc1C ZINC000410382006 532738712 /nfs/dbraw/zinc/73/87/12/532738712.db2.gz MJWUMAZQHMKISH-UHFFFAOYSA-N -1 1 382.825 2.335 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCN(CC(F)(F)F)C(=O)C1 ZINC000286581345 532756860 /nfs/dbraw/zinc/75/68/60/532756860.db2.gz WHODBCSOOUDJOP-UHFFFAOYSA-N -1 1 381.148 2.001 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccc(C)o1 ZINC000286478250 532750215 /nfs/dbraw/zinc/75/02/15/532750215.db2.gz ABPHVQIMACCQDP-JTQLQIEISA-N -1 1 392.275 2.058 20 0 GEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000541190160 532750277 /nfs/dbraw/zinc/75/02/77/532750277.db2.gz PJLNBZOOEHKWSY-NSHDSACASA-N -1 1 384.454 2.463 20 0 GEADMM CC(C)n1cc(S(=O)(=O)[N-]c2ccncc2I)cn1 ZINC000268392555 532763153 /nfs/dbraw/zinc/76/31/53/532763153.db2.gz 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GEADMM CN(C)Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000457301776 532789685 /nfs/dbraw/zinc/78/96/85/532789685.db2.gz YKWDKYIDUNNFCE-UHFFFAOYSA-N -1 1 386.499 2.127 20 0 GEADMM CCNC(=O)C(C)(C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000457329285 532789936 /nfs/dbraw/zinc/78/99/36/532789936.db2.gz KUQPRNBTRHMVQL-UHFFFAOYSA-N -1 1 380.242 2.347 20 0 GEADMM CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000326668475 532790180 /nfs/dbraw/zinc/79/01/80/532790180.db2.gz JTAJMKTZDGVJRM-UHFFFAOYSA-N -1 1 389.838 2.243 20 0 GEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nncn2C)c1 ZINC000327283006 532791730 /nfs/dbraw/zinc/79/17/30/532791730.db2.gz GVWNUSXMHUULFT-UHFFFAOYSA-N -1 1 378.435 2.351 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCCO[C@@H](CF)C1 ZINC000412439041 532792098 /nfs/dbraw/zinc/79/20/98/532792098.db2.gz FBUPCZJGSQZUOE-JTQLQIEISA-N -1 1 379.169 2.197 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@H](c3nccs3)C2)c(=O)[n-]1 ZINC000329351558 532805912 /nfs/dbraw/zinc/80/59/12/532805912.db2.gz FLFXNQPFSCKWIJ-LBPRGKRZSA-N -1 1 380.495 2.202 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Br)cc12 ZINC000554895027 532805987 /nfs/dbraw/zinc/80/59/87/532805987.db2.gz NASFIWFIGBEWEP-UHFFFAOYSA-N -1 1 399.270 2.330 20 0 GEADMM Cn1[n-]c(CN2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)nc1=O ZINC000554958591 532806720 /nfs/dbraw/zinc/80/67/20/532806720.db2.gz OQCWSZJVXWQSGS-JTQLQIEISA-N -1 1 396.264 2.389 20 0 GEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3cc(Br)ccc3F)ccnc1-2 ZINC000550790633 532798754 /nfs/dbraw/zinc/79/87/54/532798754.db2.gz VIWGSBNVYJSEPP-UHFFFAOYSA-N -1 1 385.218 2.044 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3F)C2=O)sc1C ZINC000328894483 532799207 /nfs/dbraw/zinc/79/92/07/532799207.db2.gz UWGYVUVSASJRLD-ZDUSSCGKSA-N -1 1 383.470 2.373 20 0 GEADMM Cc1nnc([C@@H]2CCN(C(=O)c3cc(I)ccc3[O-])C2)[nH]1 ZINC000412790187 532800933 /nfs/dbraw/zinc/80/09/33/532800933.db2.gz YMHOIWLIQWNNAU-SECBINFHSA-N -1 1 398.204 2.053 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c(Br)n1C ZINC000287979038 532814040 /nfs/dbraw/zinc/81/40/40/532814040.db2.gz YPXVMFRJMUGIJV-LLVKDONJSA-N -1 1 384.255 2.097 20 0 GEADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)s1 ZINC000272382813 532814529 /nfs/dbraw/zinc/81/45/29/532814529.db2.gz BQWDBNCXWKLRJL-UHFFFAOYSA-N -1 1 381.382 2.313 20 0 GEADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000414041291 532817598 /nfs/dbraw/zinc/81/75/98/532817598.db2.gz RGKBQIJUFGIZJW-GXSJLCMTSA-N -1 1 375.206 2.230 20 0 GEADMM COC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)OC ZINC000272686694 532817006 /nfs/dbraw/zinc/81/70/06/532817006.db2.gz OMAYQMZDESIMKO-MRVPVSSYSA-N -1 1 390.658 2.181 20 0 GEADMM CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000330508241 532820027 /nfs/dbraw/zinc/82/00/27/532820027.db2.gz IOJWTMZOXJZJOR-APPZFPTMSA-N -1 1 376.327 2.491 20 0 GEADMM CCCCN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000414382065 532823279 /nfs/dbraw/zinc/82/32/79/532823279.db2.gz KDWOZGCYBKSSJU-UHFFFAOYSA-N -1 1 392.543 2.274 20 0 GEADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1F ZINC000414457480 532828127 /nfs/dbraw/zinc/82/81/27/532828127.db2.gz WGMAWHPQHSOSFO-UHFFFAOYSA-N -1 1 387.458 2.400 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273731227 532832736 /nfs/dbraw/zinc/83/27/36/532832736.db2.gz NMVLGAKATJWIQW-OQPBUACISA-N -1 1 393.292 2.453 20 0 GEADMM O=C([O-])[C@H]1CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000414608294 532833484 /nfs/dbraw/zinc/83/34/84/532833484.db2.gz JMNKEHSLWLBFIN-VIFPVBQESA-N -1 1 381.230 2.332 20 0 GEADMM CCOc1cc(C(=O)N(CCO)CCOCC(F)(F)F)cc(Cl)c1[O-] ZINC000273863761 532836388 /nfs/dbraw/zinc/83/63/88/532836388.db2.gz OICFMYKAUGXWTJ-UHFFFAOYSA-N -1 1 385.766 2.458 20 0 GEADMM C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000288773817 532837549 /nfs/dbraw/zinc/83/75/49/532837549.db2.gz BFWDZUDHMGNPKF-WDEREUQCSA-N -1 1 394.273 2.067 20 0 GEADMM O=C(c1ccc(I)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332306054 532851843 /nfs/dbraw/zinc/85/18/43/532851843.db2.gz LJLHNAQVCHHYDN-JTQLQIEISA-N -1 1 399.188 2.400 20 0 GEADMM O=C(CN1CCCC[C@@H]1c1nc(=O)[n-][nH]1)Nc1ccc(Br)cc1 ZINC000289315108 532852421 /nfs/dbraw/zinc/85/24/21/532852421.db2.gz JMXOUYYMJGOOSF-GFCCVEGCSA-N -1 1 380.246 2.026 20 0 GEADMM Cc1nn(CCS(C)(=O)=O)c(C)c1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289639856 532861508 /nfs/dbraw/zinc/86/15/08/532861508.db2.gz WNQYZCVWROOIDS-UHFFFAOYSA-N -1 1 392.453 2.270 20 0 GEADMM Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000289643072 532861775 /nfs/dbraw/zinc/86/17/75/532861775.db2.gz SNXKQYJJEUNSFK-CYBMUJFWSA-N -1 1 378.416 2.383 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](c1cncc(Br)c1)C1CC1 ZINC000289899844 532867220 /nfs/dbraw/zinc/86/72/20/532867220.db2.gz PRWQFTKYSWWOMP-NSHDSACASA-N -1 1 387.259 2.152 20 0 GEADMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416213520 532867692 /nfs/dbraw/zinc/86/76/92/532867692.db2.gz HMBVZFLHWVVESO-SNVBAGLBSA-N -1 1 389.265 2.211 20 0 GEADMM CCN(C1CCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000349479274 532881629 /nfs/dbraw/zinc/88/16/29/532881629.db2.gz UIFFQMUNXDLGHA-UHFFFAOYSA-N -1 1 389.543 2.034 20 0 GEADMM CCO[C@H]1C[C@@](NS(=O)(=O)c2c(F)cc(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275812335 532883877 /nfs/dbraw/zinc/88/38/77/532883877.db2.gz XVDLQXMUKZFGIC-XHDPSFHLSA-N -1 1 381.372 2.041 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000349559970 532882931 /nfs/dbraw/zinc/88/29/31/532882931.db2.gz AOGRPLQNWVVBBK-GJZGRUSLSA-N -1 1 389.543 2.020 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C(C)(C)C)nc1 ZINC000349596684 532883391 /nfs/dbraw/zinc/88/33/91/532883391.db2.gz ZTQLPWDPWANWPC-UHFFFAOYSA-N -1 1 391.559 2.266 20 0 GEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000290450157 532880917 /nfs/dbraw/zinc/88/09/17/532880917.db2.gz CORCBOREUSEBJO-UHFFFAOYSA-N -1 1 379.316 2.060 20 0 GEADMM CCc1cnc(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000290640995 532885667 /nfs/dbraw/zinc/88/56/67/532885667.db2.gz DSVLBBRKAOMANP-JTQLQIEISA-N -1 1 378.420 2.306 20 0 GEADMM COc1cc(-c2noc(C[C@@H]3CCC(=O)NC3)n2)cc(Br)c1[O-] ZINC000351104217 532887298 /nfs/dbraw/zinc/88/72/98/532887298.db2.gz LPUSEGHNYAQMPI-QMMMGPOBSA-N -1 1 382.214 2.282 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCOCC(F)(F)C1 ZINC000290579326 532884417 /nfs/dbraw/zinc/88/44/17/532884417.db2.gz HLTUTMMSQGZFSI-UHFFFAOYSA-N -1 1 383.132 2.105 20 0 GEADMM C[C@]1(C(N)=O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290853762 532890934 /nfs/dbraw/zinc/89/09/34/532890934.db2.gz JXWXNFNLCJAOSP-INIZCTEOSA-N -1 1 378.226 2.040 20 0 GEADMM C[C@@]1(C(N)=O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290853764 532891220 /nfs/dbraw/zinc/89/12/20/532891220.db2.gz JXWXNFNLCJAOSP-MRXNPFEDSA-N -1 1 378.226 2.040 20 0 GEADMM Cc1nnc(CCNC(=O)c2cc(I)ccc2[O-])s1 ZINC000291312233 532900162 /nfs/dbraw/zinc/90/01/62/532900162.db2.gz TYJIEDASWANBBX-UHFFFAOYSA-N -1 1 389.218 2.129 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc(C(=O)[O-])c1Cl ZINC000363940107 532902026 /nfs/dbraw/zinc/90/20/26/532902026.db2.gz SANZRMZSOUPXPL-JTQLQIEISA-N -1 1 384.845 2.033 20 0 GEADMM C[C@H](CCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291600656 532904738 /nfs/dbraw/zinc/90/47/38/532904738.db2.gz COHBRKVCXFXUJV-LLVKDONJSA-N -1 1 385.477 2.071 20 0 GEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1ccc(Cl)nc1 ZINC000291632790 532906039 /nfs/dbraw/zinc/90/60/39/532906039.db2.gz LNCVNNUECMXUNA-MWLCHTKSSA-N -1 1 378.782 2.476 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ncccc3Cl)CC2)o1 ZINC000365405966 532910814 /nfs/dbraw/zinc/91/08/14/532910814.db2.gz MGYVIVAAHJFKJO-UHFFFAOYSA-N -1 1 383.857 2.256 20 0 GEADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)OC ZINC000291983169 532911365 /nfs/dbraw/zinc/91/13/65/532911365.db2.gz SEFBKPXVFFMDGP-VIFPVBQESA-N -1 1 376.645 2.113 20 0 GEADMM O=C(CSc1ccc(O)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000292135755 532913822 /nfs/dbraw/zinc/91/38/22/532913822.db2.gz SYXRGQZDHSMBEH-LLVKDONJSA-N -1 1 376.400 2.401 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CC[C@@](C)(O)c2ccccc2)c(C(F)(F)F)n1 ZINC000293243847 532924114 /nfs/dbraw/zinc/92/41/14/532924114.db2.gz WQWUBUBGPVMLDT-CQSZACIVSA-N -1 1 377.388 2.015 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCOCC2)c1Cl ZINC000293859674 532932475 /nfs/dbraw/zinc/93/24/75/532932475.db2.gz RSQHKMQBGPVAOI-UHFFFAOYSA-N -1 1 387.864 2.283 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)c2ccc(Cl)c(F)c2)no1 ZINC000368942712 532935717 /nfs/dbraw/zinc/93/57/17/532935717.db2.gz YYEKUYSACIGKGU-NFMODRRSSA-N -1 1 389.836 2.357 20 0 GEADMM CC(C)n1nc2c(cc1=O)CN(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC000371188399 532947187 /nfs/dbraw/zinc/94/71/87/532947187.db2.gz BZLQWXIYODUDET-UHFFFAOYSA-N -1 1 392.253 2.491 20 0 GEADMM CC(C)OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC000632062470 450595900 /nfs/dbraw/zinc/59/59/00/450595900.db2.gz ZCPFCWIAGASMNP-UHFFFAOYSA-N -1 1 376.906 2.213 20 0 GEADMM O=C(Cn1cc(NS(=O)(=O)c2cccc(Cl)c2[O-])cn1)NC1CCCC1 ZINC000450999497 450596357 /nfs/dbraw/zinc/59/63/57/450596357.db2.gz LQSYWWSGZJWXFP-UHFFFAOYSA-N -1 1 398.872 2.102 20 0 GEADMM O=C(CN1CCCCC1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737878936 598836006 /nfs/dbraw/zinc/83/60/06/598836006.db2.gz RLTLHAVHNZGSEW-UHFFFAOYSA-N -1 1 396.476 2.224 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@](C)(O)c1ccccc1 ZINC000737549837 598922318 /nfs/dbraw/zinc/92/23/18/598922318.db2.gz ZLSQAQFAPIUACU-FQEVSTJZSA-N -1 1 392.419 2.196 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@](C)(O)c1ccccc1 ZINC000737549837 598922320 /nfs/dbraw/zinc/92/23/20/598922320.db2.gz ZLSQAQFAPIUACU-FQEVSTJZSA-N -1 1 392.419 2.196 20 0 GEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2)o1 ZINC000737523685 598924766 /nfs/dbraw/zinc/92/47/66/598924766.db2.gz RGLOKDYVDOICJM-UHFFFAOYSA-N -1 1 383.393 2.026 20 0 GEADMM CCCc1cc(=O)[n-]c(SCCOc2ccc(-c3nn[nH]n3)cc2OC)n1 ZINC000736496782 598937853 /nfs/dbraw/zinc/93/78/53/598937853.db2.gz IBWIJTHRFHVABA-UHFFFAOYSA-N -1 1 388.453 2.495 20 0 GEADMM Cc1nccn1-c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000737502424 598962390 /nfs/dbraw/zinc/96/23/90/598962390.db2.gz NEDAWCXWPGDMBH-UHFFFAOYSA-N -1 1 384.407 2.311 20 0 GEADMM COC(=O)NCc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736941956 598971078 /nfs/dbraw/zinc/97/10/78/598971078.db2.gz ZLLUJBKYIIKKQV-UHFFFAOYSA-N -1 1 376.380 2.410 20 0 GEADMM COC(=O)NCc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736941956 598971080 /nfs/dbraw/zinc/97/10/80/598971080.db2.gz ZLLUJBKYIIKKQV-UHFFFAOYSA-N -1 1 376.380 2.410 20 0 GEADMM O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738191689 598985918 /nfs/dbraw/zinc/98/59/18/598985918.db2.gz UGISIFXFLROSDC-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738191689 598985920 /nfs/dbraw/zinc/98/59/20/598985920.db2.gz UGISIFXFLROSDC-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM Cn1ccnc1Sc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737619962 598986558 /nfs/dbraw/zinc/98/65/58/598986558.db2.gz YCTJLUFDPSAWOO-UHFFFAOYSA-N -1 1 378.421 2.399 20 0 GEADMM Cn1ccnc1Sc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737619962 598986560 /nfs/dbraw/zinc/98/65/60/598986560.db2.gz YCTJLUFDPSAWOO-UHFFFAOYSA-N -1 1 378.421 2.399 20 0 GEADMM O=C(NCCc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089513 598996504 /nfs/dbraw/zinc/99/65/04/598996504.db2.gz XXBZHWRUANKXBS-UHFFFAOYSA-N -1 1 391.204 2.136 20 0 GEADMM O=C(NCCc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089513 598996507 /nfs/dbraw/zinc/99/65/07/598996507.db2.gz XXBZHWRUANKXBS-UHFFFAOYSA-N -1 1 391.204 2.136 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C[C@H](C)O1 ZINC000736294505 598998427 /nfs/dbraw/zinc/99/84/27/598998427.db2.gz RZZPIIWDQAPXEI-STQMWFEESA-N -1 1 379.424 2.128 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C[C@H](C)O1 ZINC000736294505 598998428 /nfs/dbraw/zinc/99/84/28/598998428.db2.gz RZZPIIWDQAPXEI-STQMWFEESA-N -1 1 379.424 2.128 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(C(F)(F)F)cc1 ZINC000737908876 599001885 /nfs/dbraw/zinc/00/18/85/599001885.db2.gz KNQIORKVLIMLAK-UHFFFAOYSA-N -1 1 392.297 2.076 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(C(F)(F)F)cc1 ZINC000737908876 599001887 /nfs/dbraw/zinc/00/18/87/599001887.db2.gz KNQIORKVLIMLAK-UHFFFAOYSA-N -1 1 392.297 2.076 20 0 GEADMM COCCSc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737013886 599003051 /nfs/dbraw/zinc/00/30/51/599003051.db2.gz MQTFBEYNCRWADY-GFCCVEGCSA-N -1 1 384.465 2.491 20 0 GEADMM COCCSc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737013886 599003053 /nfs/dbraw/zinc/00/30/53/599003053.db2.gz MQTFBEYNCRWADY-GFCCVEGCSA-N -1 1 384.465 2.491 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1(C)C ZINC000736609783 599008667 /nfs/dbraw/zinc/00/86/67/599008667.db2.gz FTBBGDWJBOKDIB-CHWSQXEVSA-N -1 1 399.904 2.344 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1(C)C ZINC000736609783 599008668 /nfs/dbraw/zinc/00/86/68/599008668.db2.gz FTBBGDWJBOKDIB-CHWSQXEVSA-N -1 1 399.904 2.344 20 0 GEADMM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738041509 599016116 /nfs/dbraw/zinc/01/61/16/599016116.db2.gz RWJQHNSVLVDKCW-GFCCVEGCSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738041509 599016118 /nfs/dbraw/zinc/01/61/18/599016118.db2.gz RWJQHNSVLVDKCW-GFCCVEGCSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738189508 599024327 /nfs/dbraw/zinc/02/43/27/599024327.db2.gz GOCAUEWSBRJLIQ-UHFFFAOYSA-N -1 1 378.396 2.142 20 0 GEADMM O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738189508 599024329 /nfs/dbraw/zinc/02/43/29/599024329.db2.gz GOCAUEWSBRJLIQ-UHFFFAOYSA-N -1 1 378.396 2.142 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(Cc1cccs1)C1CC1 ZINC000738355926 599033762 /nfs/dbraw/zinc/03/37/62/599033762.db2.gz WBZRWFPRURWPDF-UHFFFAOYSA-N -1 1 379.442 2.421 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(Cc1cccs1)C1CC1 ZINC000738355926 599033764 /nfs/dbraw/zinc/03/37/64/599033764.db2.gz WBZRWFPRURWPDF-UHFFFAOYSA-N -1 1 379.442 2.421 20 0 GEADMM COC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000821641262 599057049 /nfs/dbraw/zinc/05/70/49/599057049.db2.gz ZDCSZPGZIKCFFM-AWEZNQCLSA-N -1 1 375.392 2.179 20 0 GEADMM COC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000821641262 599057051 /nfs/dbraw/zinc/05/70/51/599057051.db2.gz ZDCSZPGZIKCFFM-AWEZNQCLSA-N -1 1 375.392 2.179 20 0 GEADMM COC(=O)COc1cccc(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000736931041 599058158 /nfs/dbraw/zinc/05/81/58/599058158.db2.gz LZQJWOPQJYTPJT-UHFFFAOYSA-N -1 1 380.817 2.141 20 0 GEADMM COC(=O)COc1cccc(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000736931041 599058161 /nfs/dbraw/zinc/05/81/61/599058161.db2.gz LZQJWOPQJYTPJT-UHFFFAOYSA-N -1 1 380.817 2.141 20 0 GEADMM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021426 599083644 /nfs/dbraw/zinc/08/36/44/599083644.db2.gz BXOZBMBJWDKWKQ-ZDUSSCGKSA-N -1 1 383.843 2.314 20 0 GEADMM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021426 599083647 /nfs/dbraw/zinc/08/36/47/599083647.db2.gz BXOZBMBJWDKWKQ-ZDUSSCGKSA-N -1 1 383.843 2.314 20 0 GEADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1cccc(Br)c1 ZINC000820280891 599086846 /nfs/dbraw/zinc/08/68/46/599086846.db2.gz OSHWCMFPJZLASE-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1cccc(Br)c1 ZINC000820280891 599086849 /nfs/dbraw/zinc/08/68/49/599086849.db2.gz OSHWCMFPJZLASE-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000737200953 599090882 /nfs/dbraw/zinc/09/08/82/599090882.db2.gz OQSOZWIBRWRAKD-RDJZCZTQSA-N -1 1 392.463 2.264 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1Cc2ccccc2C[C@H]1C ZINC000737201125 599095001 /nfs/dbraw/zinc/09/50/01/599095001.db2.gz QVDFJMDKRQIJAC-GFCCVEGCSA-N -1 1 392.463 2.490 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC(=O)OC(C)(C)C ZINC000737548916 599103742 /nfs/dbraw/zinc/10/37/42/599103742.db2.gz QNZPGKJPSKWTGL-UHFFFAOYSA-N -1 1 386.412 2.020 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC(=O)OC(C)(C)C ZINC000737548916 599103744 /nfs/dbraw/zinc/10/37/44/599103744.db2.gz QNZPGKJPSKWTGL-UHFFFAOYSA-N -1 1 386.412 2.020 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1cnn(-c2ccccc2)c1 ZINC000823118903 599126172 /nfs/dbraw/zinc/12/61/72/599126172.db2.gz UTWLJIYQHBBHKC-UHFFFAOYSA-N -1 1 397.398 2.250 20 0 GEADMM COc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000737153774 599135325 /nfs/dbraw/zinc/13/53/25/599135325.db2.gz VHVHHDQKSIXXKV-MRXNPFEDSA-N -1 1 396.407 2.090 20 0 GEADMM COc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000737153774 599135327 /nfs/dbraw/zinc/13/53/27/599135327.db2.gz VHVHHDQKSIXXKV-MRXNPFEDSA-N -1 1 396.407 2.090 20 0 GEADMM O=C(OCCOc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738223978 599136085 /nfs/dbraw/zinc/13/60/85/599136085.db2.gz ZXFFYICQUYHJDR-UHFFFAOYSA-N -1 1 390.197 2.260 20 0 GEADMM O=C(OCCOc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738223978 599136087 /nfs/dbraw/zinc/13/60/87/599136087.db2.gz ZXFFYICQUYHJDR-UHFFFAOYSA-N -1 1 390.197 2.260 20 0 GEADMM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737247341 599136852 /nfs/dbraw/zinc/13/68/52/599136852.db2.gz VDSGZFWIUGOFCH-ZDUSSCGKSA-N -1 1 380.408 2.371 20 0 GEADMM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737247341 599136854 /nfs/dbraw/zinc/13/68/54/599136854.db2.gz VDSGZFWIUGOFCH-ZDUSSCGKSA-N -1 1 380.408 2.371 20 0 GEADMM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737191162 599136932 /nfs/dbraw/zinc/13/69/32/599136932.db2.gz RETPPMDTCAVALJ-SNVBAGLBSA-N -1 1 384.421 2.168 20 0 GEADMM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737191162 599136934 /nfs/dbraw/zinc/13/69/34/599136934.db2.gz RETPPMDTCAVALJ-SNVBAGLBSA-N -1 1 384.421 2.168 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736100690 599142626 /nfs/dbraw/zinc/14/26/26/599142626.db2.gz NAJDCBCBYTXCNE-GUYCJALGSA-N -1 1 394.435 2.321 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000736100690 599142628 /nfs/dbraw/zinc/14/26/28/599142628.db2.gz NAJDCBCBYTXCNE-GUYCJALGSA-N -1 1 394.435 2.321 20 0 GEADMM CC(C)(C)Oc1ccccc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000735640109 599147400 /nfs/dbraw/zinc/14/74/00/599147400.db2.gz XKPDYRRHUZCSGX-UHFFFAOYSA-N -1 1 399.459 2.104 20 0 GEADMM CC(C)(C)Oc1ccccc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000735640109 599147401 /nfs/dbraw/zinc/14/74/01/599147401.db2.gz XKPDYRRHUZCSGX-UHFFFAOYSA-N -1 1 399.459 2.104 20 0 GEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736237038 599151431 /nfs/dbraw/zinc/15/14/31/599151431.db2.gz NYNGDQNLMDRSJI-XPKDYRNWSA-N -1 1 387.440 2.423 20 0 GEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736237038 599151433 /nfs/dbraw/zinc/15/14/33/599151433.db2.gz NYNGDQNLMDRSJI-XPKDYRNWSA-N -1 1 387.440 2.423 20 0 GEADMM O=C(Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)c1ccco1 ZINC000738246562 599153586 /nfs/dbraw/zinc/15/35/86/599153586.db2.gz HGUYHBKUIZXPSX-UHFFFAOYSA-N -1 1 376.332 2.326 20 0 GEADMM O=C(Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)c1ccco1 ZINC000738246562 599153588 /nfs/dbraw/zinc/15/35/88/599153588.db2.gz HGUYHBKUIZXPSX-UHFFFAOYSA-N -1 1 376.332 2.326 20 0 GEADMM CC[C@H](C)C[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820870203 599160091 /nfs/dbraw/zinc/16/00/91/599160091.db2.gz OZCMAFDWGXMNDL-NWDGAFQWSA-N -1 1 384.488 2.400 20 0 GEADMM CC[C@H](C)C[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820870203 599160093 /nfs/dbraw/zinc/16/00/93/599160093.db2.gz OZCMAFDWGXMNDL-NWDGAFQWSA-N -1 1 384.488 2.400 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000735559206 599174424 /nfs/dbraw/zinc/17/44/24/599174424.db2.gz JXQOBVIYXNATGE-ZDUSSCGKSA-N -1 1 384.415 2.344 20 0 GEADMM CC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736354496 599178248 /nfs/dbraw/zinc/17/82/48/599178248.db2.gz UBHXNARSOPEIFS-CYBMUJFWSA-N -1 1 392.872 2.215 20 0 GEADMM CC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736354496 599178251 /nfs/dbraw/zinc/17/82/51/599178251.db2.gz UBHXNARSOPEIFS-CYBMUJFWSA-N -1 1 392.872 2.215 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnn(CC(C)C)c1 ZINC000822009903 599200012 /nfs/dbraw/zinc/20/00/12/599200012.db2.gz HCXGJSVECWHDQU-UHFFFAOYSA-N -1 1 384.444 2.008 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676232652 597069281 /nfs/dbraw/zinc/06/92/81/597069281.db2.gz GLCJBBQNSCSXTA-OAHLLOKOSA-N -1 1 375.469 2.294 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000676232651 597069751 /nfs/dbraw/zinc/06/97/51/597069751.db2.gz GLCJBBQNSCSXTA-HNNXBMFYSA-N -1 1 375.469 2.294 20 0 GEADMM O=C([O-])C1(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CCCC1 ZINC000740374951 597079770 /nfs/dbraw/zinc/07/97/70/597079770.db2.gz GBPFQXJZAZJUSN-INIZCTEOSA-N -1 1 388.464 2.498 20 0 GEADMM COc1cc(-c2nnc(CN3CCC[C@@H](CC(=O)[O-])C3)o2)cc(OC)c1OC ZINC000818556161 597086445 /nfs/dbraw/zinc/08/64/45/597086445.db2.gz SYEXEJXVHUJWPP-LBPRGKRZSA-N -1 1 391.424 2.449 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(CC2CCOCC2)c2ccc(Br)cc12 ZINC000738372447 599247077 /nfs/dbraw/zinc/24/70/77/599247077.db2.gz QKFISGLXUCRBIZ-UHFFFAOYSA-N -1 1 390.241 2.371 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC(C(C)C)CC1 ZINC000737486856 599247493 /nfs/dbraw/zinc/24/74/93/599247493.db2.gz FVCKXFLAXNCXNR-UHFFFAOYSA-N -1 1 396.499 2.353 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC(C(C)C)CC1 ZINC000737486856 599247494 /nfs/dbraw/zinc/24/74/94/599247494.db2.gz FVCKXFLAXNCXNR-UHFFFAOYSA-N -1 1 396.499 2.353 20 0 GEADMM O=C([O-])[C@@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000819145585 597271708 /nfs/dbraw/zinc/27/17/08/597271708.db2.gz KEOWETWLKANOHP-INIZCTEOSA-N -1 1 383.429 2.017 20 0 GEADMM CN1CCN(c2ccccc2NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000818482121 597277515 /nfs/dbraw/zinc/27/75/15/597277515.db2.gz GITQOCRNGKSYSM-GOSISDBHSA-N -1 1 382.464 2.256 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]2C[C@H](C)O)c1-c1nn[n-]n1 ZINC000826231260 607779119 /nfs/dbraw/zinc/77/91/19/607779119.db2.gz DOSQZAYIJAPDHG-JQWIXIFHSA-N -1 1 388.497 2.237 20 0 GEADMM CS(=O)(=O)Nc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000737169308 599264352 /nfs/dbraw/zinc/26/43/52/599264352.db2.gz RZCRFUGZQGMNMH-UHFFFAOYSA-N -1 1 395.448 2.399 20 0 GEADMM CS(=O)(=O)Nc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000737169308 599264354 /nfs/dbraw/zinc/26/43/54/599264354.db2.gz RZCRFUGZQGMNMH-UHFFFAOYSA-N -1 1 395.448 2.399 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](C(=O)[O-])C1)N1CCCCC1 ZINC000818631131 597509490 /nfs/dbraw/zinc/50/94/90/597509490.db2.gz BUAYQTBZWHJPBQ-DOTOQJQBSA-N -1 1 375.469 2.338 20 0 GEADMM CC(C)[C@H](NC(=O)CN1CC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262641276 597530259 /nfs/dbraw/zinc/53/02/59/597530259.db2.gz JALUEUICSFZYFE-BEFAXECRSA-N -1 1 376.453 2.068 20 0 GEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCc1ccnc(N2CCOCC2)c1 ZINC000738438352 599268136 /nfs/dbraw/zinc/26/81/36/599268136.db2.gz ZAVUVMNJCLPTHH-UHFFFAOYSA-N -1 1 388.435 2.259 20 0 GEADMM CC[C@](C)(NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(F)(F)F ZINC000736316455 599280584 /nfs/dbraw/zinc/28/05/84/599280584.db2.gz XJTBVLWUNDRURY-HNNXBMFYSA-N -1 1 386.378 2.364 20 0 GEADMM Cn1cnnc1COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000822703690 607322853 /nfs/dbraw/zinc/32/28/53/607322853.db2.gz AXPFZHICWQBRAP-UHFFFAOYSA-N -1 1 395.354 2.284 20 0 GEADMM Cn1cnnc1COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000822703690 607322854 /nfs/dbraw/zinc/32/28/54/607322854.db2.gz AXPFZHICWQBRAP-UHFFFAOYSA-N -1 1 395.354 2.284 20 0 GEADMM COc1cccc(N2C[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)CC2=O)c1 ZINC000737140097 598248123 /nfs/dbraw/zinc/24/81/23/598248123.db2.gz OYIUSICTISCIIU-MRVPVSSYSA-N -1 1 391.844 2.203 20 0 GEADMM COc1cccc(N2C[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)CC2=O)c1 ZINC000737140097 598248124 /nfs/dbraw/zinc/24/81/24/598248124.db2.gz OYIUSICTISCIIU-MRVPVSSYSA-N -1 1 391.844 2.203 20 0 GEADMM CC(C)Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735850462 598260113 /nfs/dbraw/zinc/26/01/13/598260113.db2.gz QLVJHFFKJAKAPP-CYBMUJFWSA-N -1 1 386.481 2.500 20 0 GEADMM CC(C)Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735850462 598260114 /nfs/dbraw/zinc/26/01/14/598260114.db2.gz QLVJHFFKJAKAPP-CYBMUJFWSA-N -1 1 386.481 2.500 20 0 GEADMM CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816266 598260453 /nfs/dbraw/zinc/26/04/53/598260453.db2.gz CUXYQPNHOIBSHE-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816266 598260456 /nfs/dbraw/zinc/26/04/56/598260456.db2.gz CUXYQPNHOIBSHE-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CCCC2 ZINC000736129880 598260532 /nfs/dbraw/zinc/26/05/32/598260532.db2.gz JKIFRENCIYFPNN-LBPRGKRZSA-N -1 1 384.465 2.180 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CCCC2 ZINC000736129880 598260533 /nfs/dbraw/zinc/26/05/33/598260533.db2.gz JKIFRENCIYFPNN-LBPRGKRZSA-N -1 1 384.465 2.180 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736132740 598260633 /nfs/dbraw/zinc/26/06/33/598260633.db2.gz WRIKBIDIFFGDHW-VIFPVBQESA-N -1 1 398.370 2.320 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000736132740 598260635 /nfs/dbraw/zinc/26/06/35/598260635.db2.gz WRIKBIDIFFGDHW-VIFPVBQESA-N -1 1 398.370 2.320 20 0 GEADMM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000735800554 598266167 /nfs/dbraw/zinc/26/61/67/598266167.db2.gz ZQPRNOKQEJOIMP-CYBMUJFWSA-N -1 1 378.483 2.389 20 0 GEADMM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000735800554 598266169 /nfs/dbraw/zinc/26/61/69/598266169.db2.gz ZQPRNOKQEJOIMP-CYBMUJFWSA-N -1 1 378.483 2.389 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344602 598269360 /nfs/dbraw/zinc/26/93/60/598269360.db2.gz YNEDFFYONFWVNN-HZPDHXFCSA-N -1 1 384.465 2.266 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344602 598269361 /nfs/dbraw/zinc/26/93/61/598269361.db2.gz YNEDFFYONFWVNN-HZPDHXFCSA-N -1 1 384.465 2.266 20 0 GEADMM O=C(OCCOc1ccc2c(c1)CCC(=O)N2)c1sccc1-c1nn[n-]n1 ZINC000738303960 598290326 /nfs/dbraw/zinc/29/03/26/598290326.db2.gz SRHWVBIOROFMFR-UHFFFAOYSA-N -1 1 385.405 2.049 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738355256 598300724 /nfs/dbraw/zinc/30/07/24/598300724.db2.gz MCEPKINUSGKYBV-HNNXBMFYSA-N -1 1 384.465 2.048 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738355256 598300727 /nfs/dbraw/zinc/30/07/27/598300727.db2.gz MCEPKINUSGKYBV-HNNXBMFYSA-N -1 1 384.465 2.048 20 0 GEADMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccnc1-c1nnn[n-]1 ZINC000736788901 598337175 /nfs/dbraw/zinc/33/71/75/598337175.db2.gz ZIXVQZIMHVNKIV-UHFFFAOYSA-N -1 1 379.211 2.038 20 0 GEADMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccnc1-c1nn[n-]n1 ZINC000736788901 598337177 /nfs/dbraw/zinc/33/71/77/598337177.db2.gz ZIXVQZIMHVNKIV-UHFFFAOYSA-N -1 1 379.211 2.038 20 0 GEADMM COc1cccc(Oc2ccc(CNc3nccnc3-c3nnn[n-]3)cn2)c1 ZINC000737141038 598345872 /nfs/dbraw/zinc/34/58/72/598345872.db2.gz JLXSHGDWJPDVSO-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM COc1cccc(Oc2ccc(CNc3nccnc3-c3nn[n-]n3)cn2)c1 ZINC000737141038 598345874 /nfs/dbraw/zinc/34/58/74/598345874.db2.gz JLXSHGDWJPDVSO-UHFFFAOYSA-N -1 1 376.380 2.465 20 0 GEADMM CCc1nn(Cc2ncc(-c3ccccc3)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706984 598378475 /nfs/dbraw/zinc/37/84/75/598378475.db2.gz NQOAYXMDKSNTBQ-UHFFFAOYSA-N -1 1 377.408 2.252 20 0 GEADMM COC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736940632 598393888 /nfs/dbraw/zinc/39/38/88/598393888.db2.gz RCJLFUQXQRBMLK-JTQLQIEISA-N -1 1 385.355 2.089 20 0 GEADMM COC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736940632 598393889 /nfs/dbraw/zinc/39/38/89/598393889.db2.gz RCJLFUQXQRBMLK-JTQLQIEISA-N -1 1 385.355 2.089 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCC(O)CC1 ZINC000738269091 598401272 /nfs/dbraw/zinc/40/12/72/598401272.db2.gz LPGDRUHVVZZYDM-UHFFFAOYSA-N -1 1 383.383 2.395 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCC(O)CC1 ZINC000738269091 598401273 /nfs/dbraw/zinc/40/12/73/598401273.db2.gz LPGDRUHVVZZYDM-UHFFFAOYSA-N -1 1 383.383 2.395 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000737186979 598410643 /nfs/dbraw/zinc/41/06/43/598410643.db2.gz MVZAYLZUXLTLGQ-CYBMUJFWSA-N -1 1 386.412 2.246 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738353737 598429481 /nfs/dbraw/zinc/42/94/81/598429481.db2.gz GEYLHTPACOGBPC-LLVKDONJSA-N -1 1 391.403 2.323 20 0 GEADMM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736911132 598443133 /nfs/dbraw/zinc/44/31/33/598443133.db2.gz SIQRXFXPUSQEGH-KGLIPLIRSA-N -1 1 394.391 2.110 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738319344 598459610 /nfs/dbraw/zinc/45/96/10/598459610.db2.gz OCLJAMOOUWWJIR-AWEZNQCLSA-N -1 1 396.842 2.262 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738319344 598459612 /nfs/dbraw/zinc/45/96/12/598459612.db2.gz OCLJAMOOUWWJIR-AWEZNQCLSA-N -1 1 396.842 2.262 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000737980965 598504706 /nfs/dbraw/zinc/50/47/06/598504706.db2.gz HEOXASWQPRGODY-UHFFFAOYSA-N -1 1 380.795 2.474 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccccc1Cl ZINC000737982898 598504910 /nfs/dbraw/zinc/50/49/10/598504910.db2.gz UMCPGGPWAXPETF-UHFFFAOYSA-N -1 1 380.795 2.474 20 0 GEADMM CNC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000736878752 598546246 /nfs/dbraw/zinc/54/62/46/598546246.db2.gz YXRKBMAPXQUIKI-UHFFFAOYSA-N -1 1 394.822 2.243 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)cc1-c1nn[n-]n1 ZINC000737186057 598618803 /nfs/dbraw/zinc/61/88/03/598618803.db2.gz FLGPGBVEOFKBOS-CYBMUJFWSA-N -1 1 398.448 2.170 20 0 GEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](O)c1c(F)cccc1F ZINC000820919446 607361031 /nfs/dbraw/zinc/36/10/31/607361031.db2.gz CAIZDYDQGLLNIP-QMTHXVAHSA-N -1 1 379.392 2.448 20 0 GEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](O)c1c(F)cccc1F ZINC000820919446 607361033 /nfs/dbraw/zinc/36/10/33/607361033.db2.gz CAIZDYDQGLLNIP-QMTHXVAHSA-N -1 1 379.392 2.448 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1cccc(Oc2ccccc2)c1 ZINC000737986221 598677688 /nfs/dbraw/zinc/67/76/88/598677688.db2.gz FDBFRJDQKHSHHT-UHFFFAOYSA-N -1 1 388.387 2.459 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000736371532 598686333 /nfs/dbraw/zinc/68/63/33/598686333.db2.gz VWOPNVKPDRQNES-INIZCTEOSA-N -1 1 391.428 2.444 20 0 GEADMM COc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737073408 598688123 /nfs/dbraw/zinc/68/81/23/598688123.db2.gz QDTAUQMPLLXARG-LLVKDONJSA-N -1 1 391.428 2.396 20 0 GEADMM CN(CCCOc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736797420 598689932 /nfs/dbraw/zinc/68/99/32/598689932.db2.gz IEEODGKVOMECRK-UHFFFAOYSA-N -1 1 391.428 2.095 20 0 GEADMM COc1cccc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737126064 598691779 /nfs/dbraw/zinc/69/17/79/598691779.db2.gz KTPMKRSDJKUISE-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM CN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)c1ccccc1 ZINC000736739072 598720976 /nfs/dbraw/zinc/72/09/76/598720976.db2.gz IKTUNLULLVONDK-UHFFFAOYSA-N -1 1 394.822 2.498 20 0 GEADMM CCc1nnc([C@@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000736708362 598723183 /nfs/dbraw/zinc/72/31/83/598723183.db2.gz WEWBZOSIQYIEFK-SNVBAGLBSA-N -1 1 383.368 2.422 20 0 GEADMM CCc1nnc([C@@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000736708362 598723185 /nfs/dbraw/zinc/72/31/85/598723185.db2.gz WEWBZOSIQYIEFK-SNVBAGLBSA-N -1 1 383.368 2.422 20 0 GEADMM O=C(NCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000738079239 598795613 /nfs/dbraw/zinc/79/56/13/598795613.db2.gz YGDZYTSMXPARTH-UHFFFAOYSA-N -1 1 379.758 2.035 20 0 GEADMM O=C(NCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000738079239 598795615 /nfs/dbraw/zinc/79/56/15/598795615.db2.gz YGDZYTSMXPARTH-UHFFFAOYSA-N -1 1 379.758 2.035 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738352918 598797998 /nfs/dbraw/zinc/79/79/98/598797998.db2.gz CCCDDTYGUDBNBW-OAHLLOKOSA-N -1 1 392.391 2.066 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000738352918 598798000 /nfs/dbraw/zinc/79/80/00/598798000.db2.gz CCCDDTYGUDBNBW-OAHLLOKOSA-N -1 1 392.391 2.066 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000738259274 599317386 /nfs/dbraw/zinc/31/73/86/599317386.db2.gz POSSIOLBJJYUKS-SNVBAGLBSA-N -1 1 392.345 2.023 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000738259274 599317387 /nfs/dbraw/zinc/31/73/87/599317387.db2.gz POSSIOLBJJYUKS-SNVBAGLBSA-N -1 1 392.345 2.023 20 0 GEADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000821794683 599342837 /nfs/dbraw/zinc/34/28/37/599342837.db2.gz JVYDAJCREUENTC-UHFFFAOYSA-N -1 1 391.428 2.144 20 0 GEADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000821794683 599342840 /nfs/dbraw/zinc/34/28/40/599342840.db2.gz JVYDAJCREUENTC-UHFFFAOYSA-N -1 1 391.428 2.144 20 0 GEADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1(C)C ZINC000821361665 599344663 /nfs/dbraw/zinc/34/46/63/599344663.db2.gz WBZOKIACGXMFNB-KBPBESRZSA-N -1 1 399.904 2.344 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)ccc1C ZINC000735485869 599381300 /nfs/dbraw/zinc/38/13/00/599381300.db2.gz XJFUFKHVVBSOET-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173102 599387743 /nfs/dbraw/zinc/38/77/43/599387743.db2.gz JERGIEAZYWSSOB-DLBZAZTESA-N -1 1 380.408 2.196 20 0 GEADMM O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173102 599387746 /nfs/dbraw/zinc/38/77/46/599387746.db2.gz JERGIEAZYWSSOB-DLBZAZTESA-N -1 1 380.408 2.196 20 0 GEADMM O=C(N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000737995514 599401023 /nfs/dbraw/zinc/40/10/23/599401023.db2.gz LZXDVCHMMQRMRY-UHFFFAOYSA-N -1 1 393.495 2.127 20 0 GEADMM O=C(N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000737995514 599401025 /nfs/dbraw/zinc/40/10/25/599401025.db2.gz LZXDVCHMMQRMRY-UHFFFAOYSA-N -1 1 393.495 2.127 20 0 GEADMM O=S(=O)(c1ccccc1CNc1cccc(-c2nnn[n-]2)n1)N1CCCCC1 ZINC000738357224 599402594 /nfs/dbraw/zinc/40/25/94/599402594.db2.gz NJSKKCLEGJDSGU-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM O=S(=O)(c1ccccc1CNc1cccc(-c2nn[n-]n2)n1)N1CCCCC1 ZINC000738357224 599402597 /nfs/dbraw/zinc/40/25/97/599402597.db2.gz NJSKKCLEGJDSGU-UHFFFAOYSA-N -1 1 399.480 2.048 20 0 GEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[nH]n3)c2)c1 ZINC000821877279 607376317 /nfs/dbraw/zinc/37/63/17/607376317.db2.gz GDQHKRRLKKWSDS-UHFFFAOYSA-N -1 1 389.437 2.463 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979637 599448721 /nfs/dbraw/zinc/44/87/21/599448721.db2.gz UOVZWQSMXXJVLV-FZKQIMNGSA-N -1 1 382.449 2.149 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735678749 599479900 /nfs/dbraw/zinc/47/99/00/599479900.db2.gz VSWMKXNXHBNVLG-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@](C)(O)CCC(C)C ZINC000822534869 599488741 /nfs/dbraw/zinc/48/87/41/599488741.db2.gz ATKISAIXOTWPMU-LJQANCHMSA-N -1 1 386.456 2.476 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@](C)(O)CCC(C)C ZINC000822534869 599488743 /nfs/dbraw/zinc/48/87/43/599488743.db2.gz ATKISAIXOTWPMU-LJQANCHMSA-N -1 1 386.456 2.476 20 0 GEADMM COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653747 599493057 /nfs/dbraw/zinc/49/30/57/599493057.db2.gz JUBGPYVMBNMEME-MRXNPFEDSA-N -1 1 394.391 2.486 20 0 GEADMM COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653747 599493058 /nfs/dbraw/zinc/49/30/58/599493058.db2.gz JUBGPYVMBNMEME-MRXNPFEDSA-N -1 1 394.391 2.486 20 0 GEADMM CCc1ccc(CCNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cc1 ZINC000736682742 599494110 /nfs/dbraw/zinc/49/41/10/599494110.db2.gz LSGIJWWOAMZJAC-UHFFFAOYSA-N -1 1 384.465 2.224 20 0 GEADMM O=C1CCCCN1[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000823525281 599553780 /nfs/dbraw/zinc/55/37/80/599553780.db2.gz KMTZQJKOJYXULO-AWEZNQCLSA-N -1 1 377.452 2.396 20 0 GEADMM O=C1CCCCN1[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000823525281 599553783 /nfs/dbraw/zinc/55/37/83/599553783.db2.gz KMTZQJKOJYXULO-AWEZNQCLSA-N -1 1 377.452 2.396 20 0 GEADMM CCO[C@H]1C[C@@H](O)C12CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821360330 599570891 /nfs/dbraw/zinc/57/08/91/599570891.db2.gz QSVBKWLLTVRXPC-MSOLQXFVSA-N -1 1 380.452 2.171 20 0 GEADMM CCO[C@H]1C[C@@H](O)C12CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821360330 599570892 /nfs/dbraw/zinc/57/08/92/599570892.db2.gz QSVBKWLLTVRXPC-MSOLQXFVSA-N -1 1 380.452 2.171 20 0 GEADMM Clc1ccc(N2CCN(c3ncnc4ccsc43)CC2)nc1-c1nnn[n-]1 ZINC000822579065 599579852 /nfs/dbraw/zinc/57/98/52/599579852.db2.gz VIVRGBYOSHLCIJ-UHFFFAOYSA-N -1 1 399.871 2.246 20 0 GEADMM Clc1ccc(N2CCN(c3ncnc4ccsc43)CC2)nc1-c1nn[n-]n1 ZINC000822579065 599579853 /nfs/dbraw/zinc/57/98/53/599579853.db2.gz VIVRGBYOSHLCIJ-UHFFFAOYSA-N -1 1 399.871 2.246 20 0 GEADMM Clc1ccc(N2CCn3c(Cc4ccccc4)nnc3C2)nc1-c1nnn[n-]1 ZINC000822578588 599589051 /nfs/dbraw/zinc/58/90/51/599589051.db2.gz LEETVLIJWXIKCJ-UHFFFAOYSA-N -1 1 393.842 2.118 20 0 GEADMM Clc1ccc(N2CCn3c(Cc4ccccc4)nnc3C2)nc1-c1nn[n-]n1 ZINC000822578588 599589054 /nfs/dbraw/zinc/58/90/54/599589054.db2.gz LEETVLIJWXIKCJ-UHFFFAOYSA-N -1 1 393.842 2.118 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccc(O)c(F)c1 ZINC000737547229 599604309 /nfs/dbraw/zinc/60/43/09/599604309.db2.gz ITGRUJNCNKEQOO-UHFFFAOYSA-N -1 1 382.355 2.334 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819939391 599626848 /nfs/dbraw/zinc/62/68/48/599626848.db2.gz AOWHDQBQQFWXPL-BXUZGUMPSA-N -1 1 388.428 2.112 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819939391 599626849 /nfs/dbraw/zinc/62/68/49/599626849.db2.gz AOWHDQBQQFWXPL-BXUZGUMPSA-N -1 1 388.428 2.112 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)N1CCN(C)CC1 ZINC000736354322 599715529 /nfs/dbraw/zinc/71/55/29/599715529.db2.gz WERUKRXDOOOMNV-MRXNPFEDSA-N -1 1 381.452 2.309 20 0 GEADMM Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3occc3C(=O)[O-])C2)cc1 ZINC000516777272 599719698 /nfs/dbraw/zinc/71/96/98/599719698.db2.gz TUBQJVVMKMBEIA-HNNXBMFYSA-N -1 1 392.477 2.477 20 0 GEADMM O=C([O-])Cn1ccc(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)n1 ZINC000739919637 599739465 /nfs/dbraw/zinc/73/94/65/599739465.db2.gz CYNZFTNLGNDINN-UHFFFAOYSA-N -1 1 399.375 2.298 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCSCC(=O)[O-])CC1 ZINC000737121978 599754090 /nfs/dbraw/zinc/75/40/90/599754090.db2.gz FCIMYPDFTFBHRN-CQSZACIVSA-N -1 1 397.516 2.353 20 0 GEADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NCCC(=O)[O-])cc3)[nH]n2)o1 ZINC000486194887 599765938 /nfs/dbraw/zinc/76/59/38/599765938.db2.gz SWTOTYYDGONGLK-UHFFFAOYSA-N -1 1 382.376 2.435 20 0 GEADMM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000736698451 599788722 /nfs/dbraw/zinc/78/87/22/599788722.db2.gz PYFHTLPELOBJLE-NVXWUHKLSA-N -1 1 396.443 2.321 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736649470 599800728 /nfs/dbraw/zinc/80/07/28/599800728.db2.gz GMTVNJMGTWGRRS-BZNIZROVSA-N -1 1 398.394 2.153 20 0 GEADMM Cc1oc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1C(=O)[O-] ZINC000738968852 599801702 /nfs/dbraw/zinc/80/17/02/599801702.db2.gz DMNQRFDVPUJFNU-UHFFFAOYSA-N -1 1 398.412 2.371 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccccc1N(C)C ZINC000822006151 607395556 /nfs/dbraw/zinc/39/55/56/607395556.db2.gz YJDXFGMNFIJFKS-UHFFFAOYSA-N -1 1 395.467 2.246 20 0 GEADMM CN1CCN(c2cc(CNC(=O)Nc3ccc(CCC(=O)[O-])cc3)ccn2)CC1 ZINC000737529199 599826519 /nfs/dbraw/zinc/82/65/19/599826519.db2.gz UDFMICVDPZARIF-UHFFFAOYSA-N -1 1 397.479 2.172 20 0 GEADMM O=C([O-])Nc1ccc(CNC(=O)CSc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000740024877 599832987 /nfs/dbraw/zinc/83/29/87/599832987.db2.gz MRDZXUBLAUTHIZ-UHFFFAOYSA-N -1 1 384.421 2.365 20 0 GEADMM C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736740430 599840138 /nfs/dbraw/zinc/84/01/38/599840138.db2.gz BDWMUHQAUPIKRK-UWJYYQICSA-N -1 1 385.464 2.229 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723236 607400437 /nfs/dbraw/zinc/40/04/37/607400437.db2.gz NKZFBYAVKGIFPY-RISCZKNCSA-N -1 1 388.428 2.207 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000824723236 607400438 /nfs/dbraw/zinc/40/04/38/607400438.db2.gz NKZFBYAVKGIFPY-RISCZKNCSA-N -1 1 388.428 2.207 20 0 GEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000736203555 599866826 /nfs/dbraw/zinc/86/68/26/599866826.db2.gz DLKYUPZUCCGXMC-IFXJQAMLSA-N -1 1 392.471 2.283 20 0 GEADMM CCCO[C@H]1CCCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000737027291 599867379 /nfs/dbraw/zinc/86/73/79/599867379.db2.gz AELGTPNBGFNVOA-KRWDZBQOSA-N -1 1 392.452 2.391 20 0 GEADMM CCCO[C@@H]1CCCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000737027293 599867443 /nfs/dbraw/zinc/86/74/43/599867443.db2.gz AELGTPNBGFNVOA-QGZVFWFLSA-N -1 1 392.452 2.391 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000737359642 599876766 /nfs/dbraw/zinc/87/67/66/599876766.db2.gz BZYZBAIEQYDUFY-HNNXBMFYSA-N -1 1 389.477 2.123 20 0 GEADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820657130 607404941 /nfs/dbraw/zinc/40/49/41/607404941.db2.gz JNSVRQQMNDEMCC-WDEREUQCSA-N -1 1 392.485 2.446 20 0 GEADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820657130 607404942 /nfs/dbraw/zinc/40/49/42/607404942.db2.gz JNSVRQQMNDEMCC-WDEREUQCSA-N -1 1 392.485 2.446 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000738275332 599935416 /nfs/dbraw/zinc/93/54/16/599935416.db2.gz QJVVLCWADRJOMT-MRXNPFEDSA-N -1 1 376.478 2.144 20 0 GEADMM CN(C)[C@@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000737359124 599955836 /nfs/dbraw/zinc/95/58/36/599955836.db2.gz SOPNXWRCMOHODE-HNNXBMFYSA-N -1 1 377.466 2.427 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000738521740 599957360 /nfs/dbraw/zinc/95/73/60/599957360.db2.gz ZPEGYDHNDVBUIW-WBVHZDCISA-N -1 1 397.479 2.411 20 0 GEADMM C[C@H](O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000736678932 599959629 /nfs/dbraw/zinc/95/96/29/599959629.db2.gz ZKSJNJLKVPZECC-KBPBESRZSA-N -1 1 375.494 2.395 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736650369 599984495 /nfs/dbraw/zinc/98/44/95/599984495.db2.gz NHEYLBHITBDJGG-BBRMVZONSA-N -1 1 394.431 2.404 20 0 GEADMM CC(C)(O)CN1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000736340979 600021715 /nfs/dbraw/zinc/02/17/15/600021715.db2.gz ISJYRCOYMXZRFD-UHFFFAOYSA-N -1 1 395.525 2.315 20 0 GEADMM C[C@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000736662299 600035732 /nfs/dbraw/zinc/03/57/32/600035732.db2.gz NVGXXYUOOVCBBJ-KBXCAEBGSA-N -1 1 396.443 2.147 20 0 GEADMM Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)N(C)C)cc1 ZINC000738551185 600049374 /nfs/dbraw/zinc/04/93/74/600049374.db2.gz HJFGENWAUCVAHB-SFHVURJKSA-N -1 1 383.448 2.359 20 0 GEADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000738478408 600057681 /nfs/dbraw/zinc/05/76/81/600057681.db2.gz OJQLUXPFOSSUDM-UHFFFAOYSA-N -1 1 389.476 2.267 20 0 GEADMM CCN1CCN(c2ccc(CNC(=O)CCc3ccc(C(=O)[O-])cc3)cn2)CC1 ZINC000737122997 600063836 /nfs/dbraw/zinc/06/38/36/600063836.db2.gz OLSHPNFUOCETPN-UHFFFAOYSA-N -1 1 396.491 2.171 20 0 GEADMM C[C@](NC(=O)c1[nH]nc2c1CCC2)(C(=O)[O-])c1cccc(Br)c1 ZINC000736660864 600071397 /nfs/dbraw/zinc/07/13/97/600071397.db2.gz PFFUXOSMGLJBOW-MRXNPFEDSA-N -1 1 378.226 2.391 20 0 GEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000739545971 600077443 /nfs/dbraw/zinc/07/74/43/600077443.db2.gz CYLAXKRDYBEPME-ROUUACIJSA-N -1 1 380.448 2.063 20 0 GEADMM COc1cccc([C@H](C)N2CCN(c3cc(C)nc4nc(C(=O)[O-])nn43)CC2)c1 ZINC000738092134 600079729 /nfs/dbraw/zinc/07/97/29/600079729.db2.gz NOPXYLFRYPWESF-AWEZNQCLSA-N -1 1 396.451 2.023 20 0 GEADMM CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736477949 600096956 /nfs/dbraw/zinc/09/69/56/600096956.db2.gz PTXCWSSPLGIWJJ-UHFFFAOYSA-N -1 1 380.397 2.463 20 0 GEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000739546291 600109952 /nfs/dbraw/zinc/10/99/52/600109952.db2.gz BMMFEYRZATVCNB-HOTGVXAUSA-N -1 1 399.413 2.054 20 0 GEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000739548675 600110719 /nfs/dbraw/zinc/11/07/19/600110719.db2.gz QMUSCKIMUIWADR-SFTDATJTSA-N -1 1 393.487 2.346 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736652418 600117506 /nfs/dbraw/zinc/11/75/06/600117506.db2.gz HNRHYXYVPNFHNV-JTQLQIEISA-N -1 1 385.351 2.262 20 0 GEADMM CCN(C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000652412751 600157179 /nfs/dbraw/zinc/15/71/79/600157179.db2.gz ZXLZLGGKEDJLSK-AZUAARDMSA-N -1 1 398.459 2.252 20 0 GEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000736206233 600168305 /nfs/dbraw/zinc/16/83/05/600168305.db2.gz 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/nfs/dbraw/zinc/93/45/87/601934587.db2.gz IMIXHBZQIIHUAB-OAQYLSRUSA-N -1 1 383.448 2.468 20 0 GEADMM COc1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c(OC)c1 ZINC000739918151 601934635 /nfs/dbraw/zinc/93/46/35/601934635.db2.gz BYAPHAWXMSVMKU-UHFFFAOYSA-N -1 1 377.441 2.249 20 0 GEADMM CCOc1ccc([C@H]2CCCN2C(=O)CN2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000739496558 601939572 /nfs/dbraw/zinc/93/95/72/601939572.db2.gz HUVRTDICIUBFPD-MAUKXSAKSA-N -1 1 375.469 2.338 20 0 GEADMM C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738599251 601943869 /nfs/dbraw/zinc/94/38/69/601943869.db2.gz DRSPNWRWOYIIMW-KBPBESRZSA-N -1 1 383.876 2.155 20 0 GEADMM C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263184652 601944406 /nfs/dbraw/zinc/94/44/06/601944406.db2.gz RYDMBHUBQGDFPU-DYZYQPBXSA-N -1 1 399.369 2.176 20 0 GEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736631539 601949854 /nfs/dbraw/zinc/94/98/54/601949854.db2.gz BHOVVQNFVNHHHV-GUYCJALGSA-N -1 1 380.464 2.047 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000828167271 601969349 /nfs/dbraw/zinc/96/93/49/601969349.db2.gz FEPZMMJFZWECHZ-OCCSQVGLSA-N -1 1 387.461 2.164 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828168718 601971068 /nfs/dbraw/zinc/97/10/68/601971068.db2.gz QBEVRYUGXHOXPY-RDTXWAMCSA-N -1 1 396.447 2.494 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)cc1C ZINC000739932752 601976692 /nfs/dbraw/zinc/97/66/92/601976692.db2.gz LADLNUJTVUMKCY-UHFFFAOYSA-N -1 1 383.451 2.297 20 0 GEADMM O=S(=O)(Cc1coc(-c2ccccc2)n1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826487009 607536987 /nfs/dbraw/zinc/53/69/87/607536987.db2.gz ZTWMNRIPUTUUAB-UHFFFAOYSA-N -1 1 382.405 2.032 20 0 GEADMM O=S(=O)(Cc1coc(-c2ccccc2)n1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826487009 607536989 /nfs/dbraw/zinc/53/69/89/607536989.db2.gz ZTWMNRIPUTUUAB-UHFFFAOYSA-N -1 1 382.405 2.032 20 0 GEADMM Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000832995544 601989504 /nfs/dbraw/zinc/98/95/04/601989504.db2.gz GYIQMUKLROIBPI-UHFFFAOYSA-N -1 1 378.435 2.445 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000830049452 602002190 /nfs/dbraw/zinc/00/21/90/602002190.db2.gz BYAAAGQZBJYZEM-HXUWFJFHSA-N -1 1 390.484 2.166 20 0 GEADMM C[C@@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000827497593 602011728 /nfs/dbraw/zinc/01/17/28/602011728.db2.gz QZWLJUPGGGXQEU-NSHDSACASA-N -1 1 388.390 2.161 20 0 GEADMM Cc1sc(NC(=O)COC(=O)[C@H]2CCCc3[nH]ncc32)c(C(=O)[O-])c1C ZINC000833037289 602017299 /nfs/dbraw/zinc/01/72/99/602017299.db2.gz YDRUHBRBRZNMGD-JTQLQIEISA-N -1 1 377.422 2.388 20 0 GEADMM CC[C@H](C)[C@@H](NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000828736539 602026994 /nfs/dbraw/zinc/02/69/94/602026994.db2.gz ICTKBBYGFNBJOP-TVQRCGJNSA-N -1 1 390.221 2.319 20 0 GEADMM C[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739023761 602034265 /nfs/dbraw/zinc/03/42/65/602034265.db2.gz NFXOCYLNSKGJPV-GXSJLCMTSA-N -1 1 376.438 2.132 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)N2CCCC2)cc1 ZINC000739892575 602057888 /nfs/dbraw/zinc/05/78/88/602057888.db2.gz HPJAZNLUUFQTHU-QAPCUYQASA-N -1 1 390.484 2.131 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739945378 602061513 /nfs/dbraw/zinc/06/15/13/602061513.db2.gz KGNUXFXFJQCNSW-RDJZCZTQSA-N -1 1 378.473 2.082 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000739642152 602061715 /nfs/dbraw/zinc/06/17/15/602061715.db2.gz MXEBPZILXGIFFT-YOEHRIQHSA-N -1 1 380.464 2.460 20 0 GEADMM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000827646572 602066260 /nfs/dbraw/zinc/06/62/60/602066260.db2.gz TZCZYVYQCQYWDT-VLIAUNLRSA-N -1 1 392.475 2.145 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c[nH]1 ZINC000484088993 602175086 /nfs/dbraw/zinc/17/50/86/602175086.db2.gz NLALTXHJCHVXPN-UHFFFAOYSA-N -1 1 383.389 2.452 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)C1CCN(C(=O)[O-])CC1)N1CCCC1 ZINC000739960472 602184974 /nfs/dbraw/zinc/18/49/74/602184974.db2.gz QMRFTDKLWAKFOB-QGZVFWFLSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)[O-])CC1)N1CCCC1 ZINC000739960471 602185131 /nfs/dbraw/zinc/18/51/31/602185131.db2.gz QMRFTDKLWAKFOB-KRWDZBQOSA-N -1 1 375.469 2.338 20 0 GEADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826281715 607549506 /nfs/dbraw/zinc/54/95/06/607549506.db2.gz GXCPCESJLIRMEG-UHFFFAOYSA-N -1 1 391.357 2.474 20 0 GEADMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826281715 607549508 /nfs/dbraw/zinc/54/95/08/607549508.db2.gz GXCPCESJLIRMEG-UHFFFAOYSA-N -1 1 391.357 2.474 20 0 GEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739996254 602252382 /nfs/dbraw/zinc/25/23/82/602252382.db2.gz QMXMQMCDTGIBJO-UHFFFAOYSA-N -1 1 375.406 2.351 20 0 GEADMM O=C([O-])N1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)c2ccccc2C1 ZINC000740527799 602254842 /nfs/dbraw/zinc/25/48/42/602254842.db2.gz YVHSICVZUQRAQL-UHFFFAOYSA-N -1 1 386.433 2.009 20 0 GEADMM CS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc(C(=O)[O-])c1 ZINC000832713532 602256851 /nfs/dbraw/zinc/25/68/51/602256851.db2.gz GJSPUINBJCWBDI-UHFFFAOYSA-N -1 1 375.362 2.024 20 0 GEADMM O=C([O-])N1CCC(CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000740503211 602258451 /nfs/dbraw/zinc/25/84/51/602258451.db2.gz LJSLTLBARJFTSI-UHFFFAOYSA-N -1 1 385.468 2.244 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000739010532 602260869 /nfs/dbraw/zinc/26/08/69/602260869.db2.gz OFPFEDRWPRFPSS-BMGDILEWSA-N -1 1 393.459 2.236 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc1OC ZINC000739909878 602275091 /nfs/dbraw/zinc/27/50/91/602275091.db2.gz TYPCGFRBLPDNHW-HOCLYGCPSA-N -1 1 393.484 2.173 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cnc3onc(C)c3c2)cc1NC(=O)[O-] ZINC000739925789 602289909 /nfs/dbraw/zinc/28/99/09/602289909.db2.gz VFKZGLXXGXMLHW-UHFFFAOYSA-N -1 1 378.366 2.431 20 0 GEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000533170117 602322440 /nfs/dbraw/zinc/32/24/40/602322440.db2.gz STUMZZPEPNJUNW-UHFFFAOYSA-N -1 1 382.369 2.292 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])n2)cc1 ZINC000739880854 602364252 /nfs/dbraw/zinc/36/42/52/602364252.db2.gz YFFGIJMKXLXABU-BPUTZDHNSA-N -1 1 399.451 2.408 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])n[nH]2)cc1 ZINC000739880854 602364254 /nfs/dbraw/zinc/36/42/54/602364254.db2.gz YFFGIJMKXLXABU-BPUTZDHNSA-N -1 1 399.451 2.408 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)Nc3cc(C(=O)[O-])n(C)c3)CC2)c1 ZINC000832971096 602367557 /nfs/dbraw/zinc/36/75/57/602367557.db2.gz HOZPFJZFNHJKHK-UHFFFAOYSA-N -1 1 399.495 2.366 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000740517897 602382567 /nfs/dbraw/zinc/38/25/67/602382567.db2.gz PYDLEGWQLBIVQM-CABCVRRESA-N -1 1 392.481 2.005 20 0 GEADMM C[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])N1CCc2ccccc2C1 ZINC000738939904 602383632 /nfs/dbraw/zinc/38/36/32/602383632.db2.gz PHRPFLKVLVDESO-JXFKEZNVSA-N -1 1 381.476 2.428 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc3c(n2)CCCC3)c(-c2nn[n-]n2)c1C ZINC000826342714 607564094 /nfs/dbraw/zinc/56/40/94/607564094.db2.gz WYOAPNMSOAVEDX-UHFFFAOYSA-N -1 1 396.407 2.146 20 0 GEADMM CN1CCN(Cc2ccc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000739738840 602393915 /nfs/dbraw/zinc/39/39/15/602393915.db2.gz XFDSRGWETCYWLW-IBGZPJMESA-N -1 1 382.464 2.381 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000739030270 602446494 /nfs/dbraw/zinc/44/64/94/602446494.db2.gz ZCXNHHRHUIPBCF-KDOFPFPSSA-N -1 1 393.459 2.094 20 0 GEADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739397080 602450826 /nfs/dbraw/zinc/45/08/26/602450826.db2.gz ICVSIQZTOCWJAA-CQSZACIVSA-N -1 1 377.441 2.108 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000826424516 607569794 /nfs/dbraw/zinc/56/97/94/607569794.db2.gz PPNGQYASASELPF-UHFFFAOYSA-N -1 1 398.732 2.339 20 0 GEADMM CCC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825038967 607573556 /nfs/dbraw/zinc/57/35/56/607573556.db2.gz LFYIQISTGIXBBX-UHFFFAOYSA-N -1 1 376.369 2.366 20 0 GEADMM C[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])N1CCc2ccccc2C1 ZINC000738939911 602565993 /nfs/dbraw/zinc/56/59/93/602565993.db2.gz PHRPFLKVLVDESO-OXQOHEQNSA-N -1 1 381.476 2.428 20 0 GEADMM CC(=O)c1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000824029066 607574539 /nfs/dbraw/zinc/57/45/39/607574539.db2.gz BOJXGSVWLMPDNX-UHFFFAOYSA-N -1 1 378.797 2.490 20 0 GEADMM CC(=O)c1cc(F)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824011007 607574588 /nfs/dbraw/zinc/57/45/88/607574588.db2.gz WHPLWNCMOMGKEO-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC(=O)c1cc(F)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824011007 607574589 /nfs/dbraw/zinc/57/45/89/607574589.db2.gz WHPLWNCMOMGKEO-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC(=O)c1cc(F)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824009780 607574645 /nfs/dbraw/zinc/57/46/45/607574645.db2.gz DLUAFXFFAYYBPG-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM COc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826216128 607575352 /nfs/dbraw/zinc/57/53/52/607575352.db2.gz LOQVGEWFRWEKPN-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM Cc1ccc(OCCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826292306 607577094 /nfs/dbraw/zinc/57/70/94/607577094.db2.gz PIGGBBJFCBGRGD-UHFFFAOYSA-N -1 1 393.856 2.186 20 0 GEADMM Cc1ccc(OCCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826292306 607577096 /nfs/dbraw/zinc/57/70/96/607577096.db2.gz PIGGBBJFCBGRGD-UHFFFAOYSA-N -1 1 393.856 2.186 20 0 GEADMM O=C([O-])N1CC[C@H](NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000740509042 602635035 /nfs/dbraw/zinc/63/50/35/602635035.db2.gz XNNUWJNZVCQONC-HNNXBMFYSA-N -1 1 384.440 2.113 20 0 GEADMM O=C([O-])N1CCC[C@H](CCNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)C1 ZINC000740426097 602653218 /nfs/dbraw/zinc/65/32/18/602653218.db2.gz WNNVLEZMPWHREH-SNVBAGLBSA-N -1 1 376.438 2.134 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC1 ZINC000739004601 602688759 /nfs/dbraw/zinc/68/87/59/602688759.db2.gz BUXOVSQUDSENBQ-OAHLLOKOSA-N -1 1 389.500 2.338 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000739009672 602690766 /nfs/dbraw/zinc/69/07/66/602690766.db2.gz WJNBATNISSVZTC-ZBFHGGJFSA-N -1 1 378.473 2.494 20 0 GEADMM CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825632362 607581367 /nfs/dbraw/zinc/58/13/67/607581367.db2.gz PNTYAMVQGUZZHO-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000739183350 602696586 /nfs/dbraw/zinc/69/65/86/602696586.db2.gz RJQMEDKESCFWNY-HZPDHXFCSA-N -1 1 392.500 2.032 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(Cc1ccccc1F)C1CC1 ZINC000826496080 607581650 /nfs/dbraw/zinc/58/16/50/607581650.db2.gz KILIDUVKKCSPEC-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(Cc1ccccc1F)C1CC1 ZINC000826496080 607581651 /nfs/dbraw/zinc/58/16/51/607581651.db2.gz KILIDUVKKCSPEC-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM O=C([O-])N1CC[C@H](CCNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740425784 602702699 /nfs/dbraw/zinc/70/26/99/602702699.db2.gz IFCWYPKHSGZZSU-INIZCTEOSA-N -1 1 392.475 2.479 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000739010284 602703040 /nfs/dbraw/zinc/70/30/40/602703040.db2.gz XZFJHWJEWBGCRT-HNNXBMFYSA-N -1 1 389.500 2.124 20 0 GEADMM COCc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826165521 607584110 /nfs/dbraw/zinc/58/41/10/607584110.db2.gz YSKMAPDNVKBEIF-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM COCc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826165521 607584111 /nfs/dbraw/zinc/58/41/11/607584111.db2.gz YSKMAPDNVKBEIF-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM C[C@H](CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)NC(=O)[O-] ZINC000824703679 602772983 /nfs/dbraw/zinc/77/29/83/602772983.db2.gz PISSHYNLQKUZMI-GFCCVEGCSA-N -1 1 377.422 2.472 20 0 GEADMM COCCN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826157719 607585107 /nfs/dbraw/zinc/58/51/07/607585107.db2.gz IHYAUMQENSNPMK-UHFFFAOYSA-N -1 1 385.877 2.100 20 0 GEADMM COCCN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826157719 607585109 /nfs/dbraw/zinc/58/51/09/607585109.db2.gz IHYAUMQENSNPMK-UHFFFAOYSA-N -1 1 385.877 2.100 20 0 GEADMM C[C@H]1CN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739174550 602796769 /nfs/dbraw/zinc/79/67/69/602796769.db2.gz PGRSWMDQCAIUFH-YOEHRIQHSA-N -1 1 381.448 2.031 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000824641194 607586572 /nfs/dbraw/zinc/58/65/72/607586572.db2.gz SYGQAZQAEGRNQN-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000824641194 607586573 /nfs/dbraw/zinc/58/65/73/607586573.db2.gz SYGQAZQAEGRNQN-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1OC ZINC000825148795 607586955 /nfs/dbraw/zinc/58/69/55/607586955.db2.gz ULUPNJCZUWYCNB-ZDUSSCGKSA-N -1 1 391.428 2.444 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1OC ZINC000825148795 607586956 /nfs/dbraw/zinc/58/69/56/607586956.db2.gz ULUPNJCZUWYCNB-ZDUSSCGKSA-N -1 1 391.428 2.444 20 0 GEADMM C[C@@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738977289 602833966 /nfs/dbraw/zinc/83/39/66/602833966.db2.gz JSBPITQKXWCRND-HIFRSBDPSA-N -1 1 380.464 2.465 20 0 GEADMM C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739181010 602836173 /nfs/dbraw/zinc/83/61/73/602836173.db2.gz HKLMUEKGHUCRCB-GASCZTMLSA-N -1 1 388.468 2.215 20 0 GEADMM CN(C)Cc1cc(CNC(=O)N2CCC(CN(C)C(=O)[O-])CC2)ccc1F ZINC000739609430 602841218 /nfs/dbraw/zinc/84/12/18/602841218.db2.gz CQJXTOYOBCVUKI-UHFFFAOYSA-N -1 1 380.464 2.419 20 0 GEADMM COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826209086 607591984 /nfs/dbraw/zinc/59/19/84/607591984.db2.gz MBZKGPCBSLYHOM-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000740080382 602883643 /nfs/dbraw/zinc/88/36/43/602883643.db2.gz PNLOOGQURCVYQG-HOTGVXAUSA-N -1 1 389.500 2.351 20 0 GEADMM C[C@H](Cc1ccccc1F)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824457455 607594763 /nfs/dbraw/zinc/59/47/63/607594763.db2.gz MZXCLHUCOKMEKT-SNVBAGLBSA-N -1 1 379.392 2.054 20 0 GEADMM C[C@H](C(=O)N1CCN(CC2CCOCC2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823676489 602965506 /nfs/dbraw/zinc/96/55/06/602965506.db2.gz CUCXWZBZKSOWOC-LPHOPBHVSA-N -1 1 389.496 2.202 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H]1COc2ccccc21 ZINC000826232951 607597936 /nfs/dbraw/zinc/59/79/36/607597936.db2.gz OBJUAVKVEWCCCI-HNNXBMFYSA-N -1 1 381.392 2.194 20 0 GEADMM C[C@H](NC(=O)CC(C)(C)NC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738957583 602981557 /nfs/dbraw/zinc/98/15/57/602981557.db2.gz JWZCUFYWZGUGOM-ZDUSSCGKSA-N -1 1 380.464 2.191 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488010 607599166 /nfs/dbraw/zinc/59/91/66/607599166.db2.gz GOEGPFFRYRFMHA-YPMHNXCESA-N -1 1 393.831 2.494 20 0 GEADMM O=S(=O)(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488010 607599168 /nfs/dbraw/zinc/59/91/68/607599168.db2.gz GOEGPFFRYRFMHA-YPMHNXCESA-N -1 1 393.831 2.494 20 0 GEADMM CCOc1cccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825649065 607600417 /nfs/dbraw/zinc/60/04/17/607600417.db2.gz KLCXZTPXYOCZCU-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM CCOc1cccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825649065 607600419 /nfs/dbraw/zinc/60/04/19/607600419.db2.gz KLCXZTPXYOCZCU-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])N1CCCC1 ZINC000739957767 603014026 /nfs/dbraw/zinc/01/40/26/603014026.db2.gz JLYYITGKACBURV-XIRDDKMYSA-N -1 1 375.469 2.385 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826189600 607601174 /nfs/dbraw/zinc/60/11/74/607601174.db2.gz ZFSDQBQXRUWBFP-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826189600 607601175 /nfs/dbraw/zinc/60/11/75/607601175.db2.gz ZFSDQBQXRUWBFP-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1F ZINC000824158140 607602965 /nfs/dbraw/zinc/60/29/65/607602965.db2.gz SDZAYMGUAPGXBU-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCCC3(CCCCC3)C1)C2=O ZINC000740507515 603049893 /nfs/dbraw/zinc/04/98/93/603049893.db2.gz QNQHXZOONSYFMM-UHFFFAOYSA-N -1 1 378.473 2.055 20 0 GEADMM O=S(=O)(N[C@@H]1CCCOc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487889 607603635 /nfs/dbraw/zinc/60/36/35/607603635.db2.gz CMWJNRZXMUBWLS-CQSZACIVSA-N -1 1 389.412 2.198 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Br)cc1O ZINC000826467153 607604573 /nfs/dbraw/zinc/60/45/73/607604573.db2.gz JFTNQEJLFVSQCR-UHFFFAOYSA-N -1 1 376.170 2.087 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Br)cc1O ZINC000826467153 607604574 /nfs/dbraw/zinc/60/45/74/607604574.db2.gz JFTNQEJLFVSQCR-UHFFFAOYSA-N -1 1 376.170 2.087 20 0 GEADMM O=S(=O)(NC1(c2ccccc2)CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488065 607606137 /nfs/dbraw/zinc/60/61/37/607606137.db2.gz HTHNFDYAEADLQN-UHFFFAOYSA-N -1 1 375.841 2.488 20 0 GEADMM O=S(=O)(NC1(c2ccccc2)CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488065 607606138 /nfs/dbraw/zinc/60/61/38/607606138.db2.gz HTHNFDYAEADLQN-UHFFFAOYSA-N -1 1 375.841 2.488 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCN(C(=O)[O-])CC2)cn1)N1CCCCCC1 ZINC000738629552 603100486 /nfs/dbraw/zinc/10/04/86/603100486.db2.gz HWCMYNNXTHUHRE-OAHLLOKOSA-N -1 1 375.473 2.085 20 0 GEADMM O=C([O-])NCCCNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000740651154 603140337 /nfs/dbraw/zinc/14/03/37/603140337.db2.gz FUTHWEQTNPHOSO-CQSZACIVSA-N -1 1 388.390 2.237 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC000826467062 607609675 /nfs/dbraw/zinc/60/96/75/607609675.db2.gz FZOFVJRECGDKQD-KRWDZBQOSA-N -1 1 396.476 2.095 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC000826467062 607609677 /nfs/dbraw/zinc/60/96/77/607609677.db2.gz FZOFVJRECGDKQD-KRWDZBQOSA-N -1 1 396.476 2.095 20 0 GEADMM Cc1nc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000826323832 607612087 /nfs/dbraw/zinc/61/20/87/607612087.db2.gz UAEOBFPFMXGAEB-ZETCQYMHSA-N -1 1 384.874 2.325 20 0 GEADMM Cc1nc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000826323832 607612089 /nfs/dbraw/zinc/61/20/89/607612089.db2.gz UAEOBFPFMXGAEB-ZETCQYMHSA-N -1 1 384.874 2.325 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739893827 603204226 /nfs/dbraw/zinc/20/42/26/603204226.db2.gz CFFTUPCGJQMVSP-AEFFLSMTSA-N -1 1 375.469 2.338 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C(C)(C)CO1 ZINC000824812809 607616509 /nfs/dbraw/zinc/61/65/09/607616509.db2.gz RNYZZIRZNOMSQH-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C(C)(C)CO1 ZINC000824812809 607616510 /nfs/dbraw/zinc/61/65/10/607616510.db2.gz RNYZZIRZNOMSQH-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM Cc1cccnc1[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000826308048 607617115 /nfs/dbraw/zinc/61/71/15/607617115.db2.gz HDTVIEQOORIQGP-HNNXBMFYSA-N -1 1 390.444 2.385 20 0 GEADMM O=S(=O)(NC1(c2nccs2)CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488808 607617208 /nfs/dbraw/zinc/61/72/08/607617208.db2.gz ZLUZGMSPHJXURQ-UHFFFAOYSA-N -1 1 394.457 2.210 20 0 GEADMM O=S(=O)(NC1(c2nccs2)CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488808 607617210 /nfs/dbraw/zinc/61/72/10/607617210.db2.gz ZLUZGMSPHJXURQ-UHFFFAOYSA-N -1 1 394.457 2.210 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000830084275 603258438 /nfs/dbraw/zinc/25/84/38/603258438.db2.gz IMLZPBRDDYNWEI-YJBOKZPZSA-N -1 1 389.500 2.305 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000739182090 603269640 /nfs/dbraw/zinc/26/96/40/603269640.db2.gz MEBPWUOJPKIKGJ-DVOMOZLQSA-N -1 1 383.876 2.264 20 0 GEADMM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738909077 603274336 /nfs/dbraw/zinc/27/43/36/603274336.db2.gz DCLIECDBDBVMIG-QGZVFWFLSA-N -1 1 388.512 2.093 20 0 GEADMM CS[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826227231 607618409 /nfs/dbraw/zinc/61/84/09/607618409.db2.gz NZAGBNGAYPUIDV-UWVGGRQHSA-N -1 1 387.918 2.473 20 0 GEADMM CS[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826227231 607618411 /nfs/dbraw/zinc/61/84/11/607618411.db2.gz NZAGBNGAYPUIDV-UWVGGRQHSA-N -1 1 387.918 2.473 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1)N1CCCC1 ZINC000738118479 603294577 /nfs/dbraw/zinc/29/45/77/603294577.db2.gz BVQMSGPBJGVSEW-RDJZCZTQSA-N -1 1 390.484 2.274 20 0 GEADMM CSCCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826227990 607619803 /nfs/dbraw/zinc/61/98/03/607619803.db2.gz ARCZEAMNNSARSP-UHFFFAOYSA-N -1 1 395.432 2.307 20 0 GEADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000740193674 603303613 /nfs/dbraw/zinc/30/36/13/603303613.db2.gz ILSNCECSFIIERA-QGZVFWFLSA-N -1 1 389.496 2.297 20 0 GEADMM O=C([O-])N1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000740400650 603314824 /nfs/dbraw/zinc/31/48/24/603314824.db2.gz QVESZDCAMFEQKE-UKRRQHHQSA-N -1 1 385.386 2.396 20 0 GEADMM Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826338662 607622189 /nfs/dbraw/zinc/62/21/89/607622189.db2.gz CUTSKJQDHBWEQX-QMMMGPOBSA-N -1 1 396.860 2.034 20 0 GEADMM Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826338662 607622190 /nfs/dbraw/zinc/62/21/90/607622190.db2.gz CUTSKJQDHBWEQX-QMMMGPOBSA-N -1 1 396.860 2.034 20 0 GEADMM O=C([O-])NC[C@H](C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000832403687 603353149 /nfs/dbraw/zinc/35/31/49/603353149.db2.gz USINXVIHAGUQPR-IBGZPJMESA-N -1 1 382.464 2.214 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824257316 603363369 /nfs/dbraw/zinc/36/33/69/603363369.db2.gz OSXKMKUFUNTRPT-WMLDXEAASA-N -1 1 378.473 2.494 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[C@H](C)NC(=O)[O-] ZINC000827418679 603393817 /nfs/dbraw/zinc/39/38/17/603393817.db2.gz RQLKIRSTIGEMJS-AWEZNQCLSA-N -1 1 393.488 2.005 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCCCN(C)C(=O)[O-])c2C1 ZINC000738768236 603428598 /nfs/dbraw/zinc/42/85/98/603428598.db2.gz QEGJASQKSIWEFI-CQSZACIVSA-N -1 1 390.484 2.101 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)c1-c1nn[n-]n1 ZINC000826231709 607629479 /nfs/dbraw/zinc/62/94/79/607629479.db2.gz XACUQOIHLXDXIN-ZYHUDNBSSA-N -1 1 388.497 2.094 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)CC2)c1 ZINC000830510653 603467919 /nfs/dbraw/zinc/46/79/19/603467919.db2.gz 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20 0 GEADMM CC[C@](C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825043085 607647188 /nfs/dbraw/zinc/64/71/88/607647188.db2.gz DPBVPAGXVHCJBX-HNNXBMFYSA-N -1 1 396.473 2.374 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488046 607647560 /nfs/dbraw/zinc/64/75/60/607647560.db2.gz HGDUUFFDVWHWLV-GXTWGEPZSA-N -1 1 389.868 2.430 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488046 607647562 /nfs/dbraw/zinc/64/75/62/607647562.db2.gz HGDUUFFDVWHWLV-GXTWGEPZSA-N -1 1 389.868 2.430 20 0 GEADMM COc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c(O)c1 ZINC000829285071 603735422 /nfs/dbraw/zinc/73/54/22/603735422.db2.gz QQUBMWJOKSAXQC-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM COc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c(O)c1 ZINC000829285071 603735424 /nfs/dbraw/zinc/73/54/24/603735424.db2.gz QQUBMWJOKSAXQC-UHFFFAOYSA-N -1 1 383.364 2.206 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(C[C@@H]1CCCO1)C1CCCC1 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CCOc1ccc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1OCC ZINC000827440069 603988187 /nfs/dbraw/zinc/98/81/87/603988187.db2.gz XKQVPOYEYMWBMC-UHFFFAOYSA-N -1 1 379.457 2.497 20 0 GEADMM COC(=O)c1c(C)c(C)sc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000828737929 603989261 /nfs/dbraw/zinc/98/92/61/603989261.db2.gz FPDJPEYXDNPVOI-UHFFFAOYSA-N -1 1 383.470 2.164 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000826758352 604014883 /nfs/dbraw/zinc/01/48/83/604014883.db2.gz NYGACMPKHVAGOV-INIZCTEOSA-N -1 1 378.473 2.212 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000829610425 604057855 /nfs/dbraw/zinc/05/78/55/604057855.db2.gz CANHZIVFCSVDPZ-KRWDZBQOSA-N -1 1 386.383 2.378 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1 ZINC000826203345 607671100 /nfs/dbraw/zinc/67/11/00/607671100.db2.gz KDOIKTOWYINQAP-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM C[C@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000826059428 604090922 /nfs/dbraw/zinc/09/09/22/604090922.db2.gz UUHFWDHMMWLLJI-BZUAXINKSA-N -1 1 377.485 2.158 20 0 GEADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825889003 604102097 /nfs/dbraw/zinc/10/20/97/604102097.db2.gz SGKWARVLKMYXED-CBZIJGRNSA-N -1 1 383.533 2.455 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C1 ZINC000825229663 604150069 /nfs/dbraw/zinc/15/00/69/604150069.db2.gz SXBDPQXYQWLLTD-DZGCQCFKSA-N -1 1 380.464 2.465 20 0 GEADMM O=S(=O)(N[C@H]1CCOC2(CCCCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489252 607676028 /nfs/dbraw/zinc/67/60/28/607676028.db2.gz LCEVABQNDDKPLM-LBPRGKRZSA-N -1 1 395.460 2.166 20 0 GEADMM O=S(=O)(N[C@H]1CCOC2(CCCCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489252 607676030 /nfs/dbraw/zinc/67/60/30/607676030.db2.gz LCEVABQNDDKPLM-LBPRGKRZSA-N -1 1 395.460 2.166 20 0 GEADMM COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1OC ZINC000829440507 604191007 /nfs/dbraw/zinc/19/10/07/604191007.db2.gz 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COc1ccc(O)c(S(=O)(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000833733628 605240700 /nfs/dbraw/zinc/24/07/00/605240700.db2.gz LVXNTKWIDFCAHT-UHFFFAOYSA-N -1 1 381.406 2.445 20 0 GEADMM C[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCN1CCC(=O)[O-] ZINC000833619286 605251804 /nfs/dbraw/zinc/25/18/04/605251804.db2.gz AEMHISXEDOXQRE-GFCCVEGCSA-N -1 1 379.507 2.422 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833539862 605252975 /nfs/dbraw/zinc/25/29/75/605252975.db2.gz IUZATZFSMGRSBN-OLZOCXBDSA-N -1 1 399.285 2.224 20 0 GEADMM C[C@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCN1CCC(=O)[O-] ZINC000833624717 605254788 /nfs/dbraw/zinc/25/47/88/605254788.db2.gz RXICDYLDRJNQFD-ZDUSSCGKSA-N -1 1 376.844 2.147 20 0 GEADMM C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCN1CCC(=O)[O-] ZINC000833617660 605258488 /nfs/dbraw/zinc/25/84/88/605258488.db2.gz FXYJZLQTJOOOKB-ZDUSSCGKSA-N -1 1 395.297 2.488 20 0 GEADMM C[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCN1CCC(=O)[O-] ZINC000833617940 605278278 /nfs/dbraw/zinc/27/82/78/605278278.db2.gz JADXFRDAIDEFTP-OAHLLOKOSA-N -1 1 394.899 2.396 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C[C@@H](c4cccc(F)c4)CC3=O)C[C@H]21 ZINC000834179422 605327080 /nfs/dbraw/zinc/32/70/80/605327080.db2.gz HVFAWOFSSRYBLN-CYGHRXIMSA-N -1 1 375.444 2.467 20 0 GEADMM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3cccc(-c4nnc[nH]4)c3)cc2C1 ZINC000834195500 605330566 /nfs/dbraw/zinc/33/05/66/605330566.db2.gz YPBPXHRLVFPYOT-CQSZACIVSA-N -1 1 378.392 2.244 20 0 GEADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)CN(C(=O)[O-])c3ccccc3)CCO2)n1 ZINC000823863945 605367667 /nfs/dbraw/zinc/36/76/67/605367667.db2.gz FETRIPLBVIFBPM-CQSZACIVSA-N -1 1 387.440 2.187 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)CN(C(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000823863945 605367673 /nfs/dbraw/zinc/36/76/73/605367673.db2.gz FETRIPLBVIFBPM-CQSZACIVSA-N -1 1 387.440 2.187 20 0 GEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000833683195 605431326 /nfs/dbraw/zinc/43/13/26/605431326.db2.gz OAZJLHRMLZRGPP-HNNXBMFYSA-N -1 1 392.477 2.483 20 0 GEADMM CC1([C@H]2CCCN([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)OCCO1 ZINC000833565206 605441837 /nfs/dbraw/zinc/44/18/37/605441837.db2.gz ZDAJSVYZJIWVFH-JSGCOSHPSA-N -1 1 380.466 2.027 20 0 GEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)c2c1 ZINC000833745107 605472277 /nfs/dbraw/zinc/47/22/77/605472277.db2.gz RUSSRUOSUDZIND-GFCCVEGCSA-N -1 1 375.400 2.009 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)CC1 ZINC000827229144 605472613 /nfs/dbraw/zinc/47/26/13/605472613.db2.gz VJLCWPBEIBZABZ-HOTGVXAUSA-N -1 1 389.500 2.481 20 0 GEADMM CCCN(CC(=O)NCCc1cccc2cccnc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000826898442 605475829 /nfs/dbraw/zinc/47/58/29/605475829.db2.gz VUDUDLPPNVDNIY-SFHVURJKSA-N -1 1 384.480 2.358 20 0 GEADMM O=C([O-])N1CCC[C@H](NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000834103066 605575134 /nfs/dbraw/zinc/57/51/34/605575134.db2.gz GNONZARFBSRPBC-INIZCTEOSA-N -1 1 381.498 2.093 20 0 GEADMM O=C([O-])N1CC[C@H](N2CCN(CCCc3nc(-c4cccs4)no3)CC2)C1 ZINC000834085892 605582703 /nfs/dbraw/zinc/58/27/03/605582703.db2.gz WQTVFVLTTAFCDW-AWEZNQCLSA-N -1 1 391.497 2.101 20 0 GEADMM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000834254593 605683244 /nfs/dbraw/zinc/68/32/44/605683244.db2.gz AGLSIGRHHUJARJ-IEBWSBKVSA-N -1 1 383.448 2.389 20 0 GEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000834024166 605686192 /nfs/dbraw/zinc/68/61/92/605686192.db2.gz BABAPQUPCZXRKS-BBRMVZONSA-N -1 1 392.525 2.491 20 0 GEADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000834028112 605686490 /nfs/dbraw/zinc/68/64/90/605686490.db2.gz RIQUQIVVKTUDGH-SUMWQHHRSA-N -1 1 381.423 2.435 20 0 GEADMM CCN(C(=O)CN1CCC(NC(=O)[O-])CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000826975533 605711269 /nfs/dbraw/zinc/71/12/69/605711269.db2.gz FNMJIMSSCRHYBG-OAHLLOKOSA-N -1 1 377.485 2.207 20 0 GEADMM O=C([O-])N[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000834159610 605795818 /nfs/dbraw/zinc/79/58/18/605795818.db2.gz QPZUDTNZYWCHHW-SJORKVTESA-N -1 1 375.450 2.008 20 0 GEADMM CN1CCN(C(=O)CC2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)CC1 ZINC000833697336 605841823 /nfs/dbraw/zinc/84/18/23/605841823.db2.gz GGHJMARDGOSNLC-UHFFFAOYSA-N -1 1 393.915 2.414 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833550980 605902180 /nfs/dbraw/zinc/90/21/80/605902180.db2.gz ZTIGBMVVAFABAU-ZFWWWQNUSA-N -1 1 399.422 2.414 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CN1C1CC1 ZINC000833598755 605937438 /nfs/dbraw/zinc/93/74/38/605937438.db2.gz XCBNXKYRACKBQX-MWLCHTKSSA-N -1 1 399.369 2.084 20 0 GEADMM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000834131304 606031782 /nfs/dbraw/zinc/03/17/82/606031782.db2.gz TWCSIOGERVOSDX-ZDUSSCGKSA-N -1 1 393.394 2.469 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834151900 606094628 /nfs/dbraw/zinc/09/46/28/606094628.db2.gz YTBONEZMIRKLEP-HOTGVXAUSA-N -1 1 383.452 2.267 20 0 GEADMM O=C(NC1CC1)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000823393037 606134570 /nfs/dbraw/zinc/13/45/70/606134570.db2.gz VYUDJWTVUBGMLC-CQSZACIVSA-N -1 1 387.396 2.244 20 0 GEADMM O=C(NC1CC1)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000823393037 606134571 /nfs/dbraw/zinc/13/45/71/606134571.db2.gz VYUDJWTVUBGMLC-CQSZACIVSA-N -1 1 387.396 2.244 20 0 GEADMM O=C(OCCOc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC000823535799 606139128 /nfs/dbraw/zinc/13/91/28/606139128.db2.gz HWRYXCWLSQFQKR-UHFFFAOYSA-N -1 1 385.405 2.049 20 0 GEADMM O=C(OCCOc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC000823535799 606139129 /nfs/dbraw/zinc/13/91/29/606139129.db2.gz HWRYXCWLSQFQKR-UHFFFAOYSA-N -1 1 385.405 2.049 20 0 GEADMM Cn1cccc1[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822693973 606145363 /nfs/dbraw/zinc/14/53/63/606145363.db2.gz PXTAFTPZSNPEAQ-AWEZNQCLSA-N -1 1 390.444 2.260 20 0 GEADMM Cn1cccc1[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822693973 606145364 /nfs/dbraw/zinc/14/53/64/606145364.db2.gz PXTAFTPZSNPEAQ-AWEZNQCLSA-N -1 1 390.444 2.260 20 0 GEADMM COc1cccc(C2(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCCC2)c1 ZINC000821864305 606158553 /nfs/dbraw/zinc/15/85/53/606158553.db2.gz WIVAYJCKDNVDSO-UHFFFAOYSA-N -1 1 396.455 2.242 20 0 GEADMM COc1cccc(C2(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCCC2)c1 ZINC000821864305 606158555 /nfs/dbraw/zinc/15/85/55/606158555.db2.gz WIVAYJCKDNVDSO-UHFFFAOYSA-N -1 1 396.455 2.242 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822233405 606163797 /nfs/dbraw/zinc/16/37/97/606163797.db2.gz OECPBMGCLKUBNU-GDBMZVCRSA-N -1 1 396.455 2.198 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822233405 606163799 /nfs/dbraw/zinc/16/37/99/606163799.db2.gz OECPBMGCLKUBNU-GDBMZVCRSA-N -1 1 396.455 2.198 20 0 GEADMM CCOc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821417369 606167923 /nfs/dbraw/zinc/16/79/23/606167923.db2.gz MIJHLISVZZYDQA-OAHLLOKOSA-N -1 1 382.428 2.368 20 0 GEADMM CCOc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821417369 606167924 /nfs/dbraw/zinc/16/79/24/606167924.db2.gz MIJHLISVZZYDQA-OAHLLOKOSA-N -1 1 382.428 2.368 20 0 GEADMM CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821153402 606170100 /nfs/dbraw/zinc/17/01/00/606170100.db2.gz AQKVGCPUXLPFCS-LBPRGKRZSA-N -1 1 384.444 2.094 20 0 GEADMM CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821153402 606170101 /nfs/dbraw/zinc/17/01/01/606170101.db2.gz AQKVGCPUXLPFCS-LBPRGKRZSA-N -1 1 384.444 2.094 20 0 GEADMM CCO[C@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C12CCCCC2 ZINC000821361453 606172908 /nfs/dbraw/zinc/17/29/08/606172908.db2.gz UYKUQJCFUNCNTJ-KBPBESRZSA-N -1 1 388.476 2.192 20 0 GEADMM CCO[C@H]1C[C@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C12CCCCC2 ZINC000821361453 606172910 /nfs/dbraw/zinc/17/29/10/606172910.db2.gz UYKUQJCFUNCNTJ-KBPBESRZSA-N -1 1 388.476 2.192 20 0 GEADMM CC(C)[C@@H](CO)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820183456 606174276 /nfs/dbraw/zinc/17/42/76/606174276.db2.gz DCPLVKOYCLUIKP-CQSZACIVSA-N -1 1 386.481 2.411 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1ccccc1 ZINC000822535190 606204657 /nfs/dbraw/zinc/20/46/57/606204657.db2.gz JDAKZDUMUPSQDA-AWEZNQCLSA-N -1 1 378.392 2.022 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1ccccc1 ZINC000822535190 606204659 /nfs/dbraw/zinc/20/46/59/606204659.db2.gz JDAKZDUMUPSQDA-AWEZNQCLSA-N -1 1 378.392 2.022 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](CCO)CC(C)C ZINC000822535119 606290753 /nfs/dbraw/zinc/29/07/53/606290753.db2.gz HBNSBPSZXCMZFS-AWEZNQCLSA-N -1 1 386.456 2.333 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](CCO)CC(C)C ZINC000822535119 606290755 /nfs/dbraw/zinc/29/07/55/606290755.db2.gz HBNSBPSZXCMZFS-AWEZNQCLSA-N -1 1 386.456 2.333 20 0 GEADMM Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822130598 606295351 /nfs/dbraw/zinc/29/53/51/606295351.db2.gz WZEMVMWSRYSSGK-UHFFFAOYSA-N -1 1 377.364 2.024 20 0 GEADMM CC(C)(C)OC(=O)N(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])CC1CC1 ZINC000819928251 606296259 /nfs/dbraw/zinc/29/62/59/606296259.db2.gz MAQRBPGRCBGRBT-UHFFFAOYSA-N -1 1 388.428 2.158 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000822535486 606327374 /nfs/dbraw/zinc/32/73/74/606327374.db2.gz SZBCWRODULPJPB-YJYMSZOUSA-N -1 1 384.440 2.230 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000822535486 606327375 /nfs/dbraw/zinc/32/73/75/606327375.db2.gz SZBCWRODULPJPB-YJYMSZOUSA-N -1 1 384.440 2.230 20 0 GEADMM COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821654233 606393826 /nfs/dbraw/zinc/39/38/26/606393826.db2.gz XSZRTJMOKIAVFN-CYBMUJFWSA-N -1 1 376.442 2.098 20 0 GEADMM CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821321431 606395914 /nfs/dbraw/zinc/39/59/14/606395914.db2.gz WUYHWOMEOSWAPS-CQSZACIVSA-N -1 1 388.453 2.242 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000736129210 606473178 /nfs/dbraw/zinc/47/31/78/606473178.db2.gz DDGXTYMNWOVBOP-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821657127 606500047 /nfs/dbraw/zinc/50/00/47/606500047.db2.gz IMBKCCYCLGEVRT-YWEYNIOJSA-N -1 1 386.389 2.342 20 0 GEADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821657127 606500049 /nfs/dbraw/zinc/50/00/49/606500049.db2.gz IMBKCCYCLGEVRT-YWEYNIOJSA-N -1 1 386.389 2.342 20 0 GEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820564133 606501172 /nfs/dbraw/zinc/50/11/72/606501172.db2.gz YYABYYKSDCGCRE-SNVBAGLBSA-N -1 1 391.478 2.165 20 0 GEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820564133 606501173 /nfs/dbraw/zinc/50/11/73/606501173.db2.gz YYABYYKSDCGCRE-SNVBAGLBSA-N -1 1 391.478 2.165 20 0 GEADMM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821831698 606510508 /nfs/dbraw/zinc/51/05/08/606510508.db2.gz JUAHVISNSPPOBM-ZDUSSCGKSA-N -1 1 398.448 2.180 20 0 GEADMM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821831698 606510510 /nfs/dbraw/zinc/51/05/10/606510510.db2.gz JUAHVISNSPPOBM-ZDUSSCGKSA-N -1 1 398.448 2.180 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cn2)C[C@@H](C)O1 ZINC000820776250 606511102 /nfs/dbraw/zinc/51/11/02/606511102.db2.gz LHBGMEDWERSRHF-GHMZBOCLSA-N -1 1 385.453 2.189 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)C[C@@H](C)O1 ZINC000820776250 606511104 /nfs/dbraw/zinc/51/11/04/606511104.db2.gz LHBGMEDWERSRHF-GHMZBOCLSA-N -1 1 385.453 2.189 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000823483908 606522092 /nfs/dbraw/zinc/52/20/92/606522092.db2.gz OPPSYSUJWRLXKQ-UHFFFAOYSA-N -1 1 386.456 2.415 20 0 GEADMM O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823205988 606526878 /nfs/dbraw/zinc/52/68/78/606526878.db2.gz FIUMDYQWONUJCY-UHFFFAOYSA-N -1 1 384.252 2.472 20 0 GEADMM O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823205988 606526879 /nfs/dbraw/zinc/52/68/79/606526879.db2.gz FIUMDYQWONUJCY-UHFFFAOYSA-N -1 1 384.252 2.472 20 0 GEADMM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC000822323292 606527642 /nfs/dbraw/zinc/52/76/42/606527642.db2.gz DKGCUPSPNANMRC-LBPRGKRZSA-N -1 1 397.464 2.123 20 0 GEADMM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC000822323292 606527643 /nfs/dbraw/zinc/52/76/43/606527643.db2.gz DKGCUPSPNANMRC-LBPRGKRZSA-N -1 1 397.464 2.123 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821065789 606534213 /nfs/dbraw/zinc/53/42/13/606534213.db2.gz NDSVUVPJMXATHF-VXGBXAGGSA-N -1 1 376.486 2.085 20 0 GEADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821065789 606534214 /nfs/dbraw/zinc/53/42/14/606534214.db2.gz NDSVUVPJMXATHF-VXGBXAGGSA-N -1 1 376.486 2.085 20 0 GEADMM CCOC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000821321211 606536561 /nfs/dbraw/zinc/53/65/61/606536561.db2.gz WMEHXTSSTFZRJO-CYBMUJFWSA-N -1 1 385.449 2.080 20 0 GEADMM CCOC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC000821321211 606536562 /nfs/dbraw/zinc/53/65/62/606536562.db2.gz WMEHXTSSTFZRJO-CYBMUJFWSA-N -1 1 385.449 2.080 20 0 GEADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821639367 606542695 /nfs/dbraw/zinc/54/26/95/606542695.db2.gz WYGFQLVVONAMEJ-LBPRGKRZSA-N -1 1 385.449 2.380 20 0 GEADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821639367 606542697 /nfs/dbraw/zinc/54/26/97/606542697.db2.gz WYGFQLVVONAMEJ-LBPRGKRZSA-N -1 1 385.449 2.380 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819933575 606554472 /nfs/dbraw/zinc/55/44/72/606554472.db2.gz WTBZITKTZRZIOT-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819933575 606554473 /nfs/dbraw/zinc/55/44/73/606554473.db2.gz WTBZITKTZRZIOT-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)NC(=O)OC(C)(C)C ZINC000820020627 606564423 /nfs/dbraw/zinc/56/44/23/606564423.db2.gz IRDGLPBMYDBBDU-JTQLQIEISA-N -1 1 380.474 2.207 20 0 GEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC000820020627 606564424 /nfs/dbraw/zinc/56/44/24/606564424.db2.gz IRDGLPBMYDBBDU-JTQLQIEISA-N -1 1 380.474 2.207 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821970154 606585151 /nfs/dbraw/zinc/58/51/51/606585151.db2.gz JEMOHEFUNOFJBK-VXGBXAGGSA-N -1 1 392.510 2.189 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC2CCC(C)(O)CC2)c1-c1nn[n-]n1 ZINC000821990365 606587643 /nfs/dbraw/zinc/58/76/43/606587643.db2.gz RTZSGEOAQAUOGL-UHFFFAOYSA-N -1 1 388.497 2.284 20 0 GEADMM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823350263 606595651 /nfs/dbraw/zinc/59/56/51/606595651.db2.gz GNDOZFKOXWVQEQ-UHFFFAOYSA-N -1 1 398.448 2.125 20 0 GEADMM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823350263 606595652 /nfs/dbraw/zinc/59/56/52/606595652.db2.gz GNDOZFKOXWVQEQ-UHFFFAOYSA-N -1 1 398.448 2.125 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000823430749 606649825 /nfs/dbraw/zinc/64/98/25/606649825.db2.gz IZDWUGUTLQLMBT-GOSISDBHSA-N -1 1 392.419 2.059 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000823430749 606649826 /nfs/dbraw/zinc/64/98/26/606649826.db2.gz IZDWUGUTLQLMBT-GOSISDBHSA-N -1 1 392.419 2.059 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000823530766 606650143 /nfs/dbraw/zinc/65/01/43/606650143.db2.gz RFQLJWXVKWDNPC-UHFFFAOYSA-N -1 1 382.405 2.053 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000823530766 606650144 /nfs/dbraw/zinc/65/01/44/606650144.db2.gz RFQLJWXVKWDNPC-UHFFFAOYSA-N -1 1 382.405 2.053 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000823436357 606650956 /nfs/dbraw/zinc/65/09/56/606650956.db2.gz RHVGGZWEODYMKO-UHFFFAOYSA-N -1 1 387.783 2.433 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000823436357 606650957 /nfs/dbraw/zinc/65/09/57/606650957.db2.gz RHVGGZWEODYMKO-UHFFFAOYSA-N -1 1 387.783 2.433 20 0 GEADMM Cc1ccc(C(=O)N[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000822226152 606651316 /nfs/dbraw/zinc/65/13/16/606651316.db2.gz FFTRLKPYADPGTK-QGZVFWFLSA-N -1 1 394.435 2.068 20 0 GEADMM Cc1ccc(C(=O)N[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C(C)C)cc1 ZINC000822226152 606651317 /nfs/dbraw/zinc/65/13/17/606651317.db2.gz FFTRLKPYADPGTK-QGZVFWFLSA-N -1 1 394.435 2.068 20 0 GEADMM O=C(CCc1cnn(-c2ccccc2)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822982234 606651627 /nfs/dbraw/zinc/65/16/27/606651627.db2.gz CRWYVJNSQBJLPK-UHFFFAOYSA-N -1 1 375.392 2.123 20 0 GEADMM O=C(CCc1cnn(-c2ccccc2)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822982234 606651628 /nfs/dbraw/zinc/65/16/28/606651628.db2.gz CRWYVJNSQBJLPK-UHFFFAOYSA-N -1 1 375.392 2.123 20 0 GEADMM CC(C)c1[nH]nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1Br ZINC000820198202 606652505 /nfs/dbraw/zinc/65/25/05/606652505.db2.gz SHUHYYFPIZCFEX-UHFFFAOYSA-N -1 1 392.217 2.228 20 0 GEADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819817341 606652517 /nfs/dbraw/zinc/65/25/17/606652517.db2.gz AZADLDSWRIVUQT-NSHDSACASA-N -1 1 398.448 2.444 20 0 GEADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819817341 606652518 /nfs/dbraw/zinc/65/25/18/606652518.db2.gz AZADLDSWRIVUQT-NSHDSACASA-N -1 1 398.448 2.444 20 0 GEADMM COCCOc1ccc(Cl)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821693532 606652793 /nfs/dbraw/zinc/65/27/93/606652793.db2.gz COQBHQYJOASVRQ-UHFFFAOYSA-N -1 1 389.799 2.297 20 0 GEADMM COCCOc1ccc(Cl)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821693532 606652794 /nfs/dbraw/zinc/65/27/94/606652794.db2.gz COQBHQYJOASVRQ-UHFFFAOYSA-N -1 1 389.799 2.297 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000822151309 606655951 /nfs/dbraw/zinc/65/59/51/606655951.db2.gz AUIQRWCAZRBZGN-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000822224167 606655982 /nfs/dbraw/zinc/65/59/82/606655982.db2.gz YNJXPKMALMQUJF-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC000821990929 606687531 /nfs/dbraw/zinc/68/75/31/606687531.db2.gz ZKOJRKGVUFWQHX-SNVBAGLBSA-N -1 1 390.513 2.388 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCCc2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000821977234 606698161 /nfs/dbraw/zinc/69/81/61/606698161.db2.gz FEZUJHNYJCUFHF-UHFFFAOYSA-N -1 1 388.428 2.109 20 0 GEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1c(F)cccc1F ZINC000823510821 606734358 /nfs/dbraw/zinc/73/43/58/606734358.db2.gz AJKCNAOTQUDKQO-NSHDSACASA-N -1 1 391.769 2.411 20 0 GEADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1c(F)cccc1F ZINC000823510821 606734360 /nfs/dbraw/zinc/73/43/60/606734360.db2.gz AJKCNAOTQUDKQO-NSHDSACASA-N -1 1 391.769 2.411 20 0 GEADMM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823391715 606753118 /nfs/dbraw/zinc/75/31/18/606753118.db2.gz CCFAGKBPFJAGNN-SNVBAGLBSA-N -1 1 391.359 2.169 20 0 GEADMM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823391715 606753120 /nfs/dbraw/zinc/75/31/20/606753120.db2.gz CCFAGKBPFJAGNN-SNVBAGLBSA-N -1 1 391.359 2.169 20 0 GEADMM Cc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c(C(=O)[O-])c1 ZINC000822194292 606764072 /nfs/dbraw/zinc/76/40/72/606764072.db2.gz QTZMLAVOXGAACP-UHFFFAOYSA-N -1 1 391.384 2.122 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1c(F)cccc1Cl ZINC000820804639 606780410 /nfs/dbraw/zinc/78/04/10/606780410.db2.gz WOSORCIRRIZKGV-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1c(F)cccc1Cl ZINC000820804639 606780411 /nfs/dbraw/zinc/78/04/11/606780411.db2.gz WOSORCIRRIZKGV-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(F)cc1Cl ZINC000820803602 606782400 /nfs/dbraw/zinc/78/24/00/606782400.db2.gz DAQFGQUTDKJNAU-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(F)cc1Cl ZINC000820803602 606782402 /nfs/dbraw/zinc/78/24/02/606782402.db2.gz DAQFGQUTDKJNAU-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM O=C(C1CCCC1)N1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822916813 606792198 /nfs/dbraw/zinc/79/21/98/606792198.db2.gz DYKADNVRIBDFMP-ZDUSSCGKSA-N -1 1 378.440 2.013 20 0 GEADMM O=C(C1CCCC1)N1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822916813 606792200 /nfs/dbraw/zinc/79/22/00/606792200.db2.gz DYKADNVRIBDFMP-ZDUSSCGKSA-N -1 1 378.440 2.013 20 0 GEADMM COC(=O)c1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c(C)s1 ZINC000821668143 606794553 /nfs/dbraw/zinc/79/45/53/606794553.db2.gz RCBQQQLQCVSAAZ-UHFFFAOYSA-N -1 1 381.417 2.386 20 0 GEADMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1C ZINC000821346460 606814162 /nfs/dbraw/zinc/81/41/62/606814162.db2.gz JSKNYBAXKSDUOJ-MRVPVSSYSA-N -1 1 392.466 2.361 20 0 GEADMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1C ZINC000821346460 606814163 /nfs/dbraw/zinc/81/41/63/606814163.db2.gz JSKNYBAXKSDUOJ-MRVPVSSYSA-N -1 1 392.466 2.361 20 0 GEADMM CCCC[C@H](CC)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821040124 606823656 /nfs/dbraw/zinc/82/36/56/606823656.db2.gz IRQNPVIOVYSONU-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM CCCC[C@H](CC)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821040124 606823657 /nfs/dbraw/zinc/82/36/57/606823657.db2.gz IRQNPVIOVYSONU-GJZGRUSLSA-N -1 1 386.504 2.300 20 0 GEADMM CCCC[C@H](CC)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821040123 606823903 /nfs/dbraw/zinc/82/39/03/606823903.db2.gz IRQNPVIOVYSONU-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM CCCC[C@H](CC)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821040123 606823905 /nfs/dbraw/zinc/82/39/05/606823905.db2.gz IRQNPVIOVYSONU-CABCVRRESA-N -1 1 386.504 2.300 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1Cc1ccccc1 ZINC000823605858 606841463 /nfs/dbraw/zinc/84/14/63/606841463.db2.gz BZJRDHTYFRXRHS-OAHLLOKOSA-N -1 1 387.440 2.402 20 0 GEADMM C[C@@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820826638 606843297 /nfs/dbraw/zinc/84/32/97/606843297.db2.gz OKSHUCZALDPHKA-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM C[C@H]1c2c(F)cccc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820821473 606843550 /nfs/dbraw/zinc/84/35/50/606843550.db2.gz TZMQUEVRSOLATN-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000823600573 606845875 /nfs/dbraw/zinc/84/58/75/606845875.db2.gz ITAGGXBNQVWRRA-AWEZNQCLSA-N -1 1 387.440 2.259 20 0 GEADMM COc1cc(C)ccc1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821708708 606871317 /nfs/dbraw/zinc/87/13/17/606871317.db2.gz WXOCKFVATOPPNA-UHFFFAOYSA-N -1 1 396.451 2.150 20 0 GEADMM Cc1noc(CCCOC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000822527874 606945133 /nfs/dbraw/zinc/94/51/33/606945133.db2.gz HTAZIIYTKCLQMJ-UHFFFAOYSA-N -1 1 383.368 2.040 20 0 GEADMM Cc1noc(CCCOC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000822527874 606945134 /nfs/dbraw/zinc/94/51/34/606945134.db2.gz HTAZIIYTKCLQMJ-UHFFFAOYSA-N -1 1 383.368 2.040 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc(Br)cc(F)c21 ZINC000823478423 606945696 /nfs/dbraw/zinc/94/56/96/606945696.db2.gz KNLABIKASMEUNY-UHFFFAOYSA-N -1 1 389.188 2.366 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc(Br)cc(F)c21 ZINC000823478423 606945698 /nfs/dbraw/zinc/94/56/98/606945698.db2.gz KNLABIKASMEUNY-UHFFFAOYSA-N -1 1 389.188 2.366 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000822620456 606959562 /nfs/dbraw/zinc/95/95/62/606959562.db2.gz RJDWAWRXMXUBSU-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000822620456 606959563 /nfs/dbraw/zinc/95/95/63/606959563.db2.gz RJDWAWRXMXUBSU-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000821310101 607032821 /nfs/dbraw/zinc/03/28/21/607032821.db2.gz WRCPIAUTNYLNKF-UHFFFAOYSA-N -1 1 388.453 2.246 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000822609421 607070030 /nfs/dbraw/zinc/07/00/30/607070030.db2.gz NSYZSHJXXAVSKU-UHFFFAOYSA-N -1 1 393.238 2.497 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000822609421 607070031 /nfs/dbraw/zinc/07/00/31/607070031.db2.gz NSYZSHJXXAVSKU-UHFFFAOYSA-N -1 1 393.238 2.497 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000823380011 607107523 /nfs/dbraw/zinc/10/75/23/607107523.db2.gz NVYRBFWWUHQSER-CYBMUJFWSA-N -1 1 387.444 2.456 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000823380011 607107525 /nfs/dbraw/zinc/10/75/25/607107525.db2.gz NVYRBFWWUHQSER-CYBMUJFWSA-N -1 1 387.444 2.456 20 0 GEADMM COc1cccc(-c2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])n[nH]2)c1 ZINC000821854509 607157955 /nfs/dbraw/zinc/15/79/55/607157955.db2.gz LEZMHRJCVSZGEX-UHFFFAOYSA-N -1 1 377.364 2.223 20 0 GEADMM CCC1(CC)[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1OC ZINC000820957022 607159967 /nfs/dbraw/zinc/15/99/67/607159967.db2.gz MKBXERLVXPXOCJ-RYUDHWBXSA-N -1 1 392.485 2.013 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c(Cl)c1 ZINC000823391985 607172665 /nfs/dbraw/zinc/17/26/65/607172665.db2.gz KEJIQCSQARFWPH-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM CN(c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F)C1CCCCC1 ZINC000821619171 607208976 /nfs/dbraw/zinc/20/89/76/607208976.db2.gz LSWMGBHLAWBNCQ-UHFFFAOYSA-N -1 1 399.434 2.005 20 0 GEADMM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820556971 607219933 /nfs/dbraw/zinc/21/99/33/607219933.db2.gz WWBQZOOXWVYKOR-CQSZACIVSA-N -1 1 388.435 2.345 20 0 GEADMM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821139360 607221059 /nfs/dbraw/zinc/22/10/59/607221059.db2.gz VLHSTEFFTGPONE-HNNXBMFYSA-N -1 1 398.471 2.151 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000823136069 607221104 /nfs/dbraw/zinc/22/11/04/607221104.db2.gz IRAILFDHKBZAIK-UHFFFAOYSA-N -1 1 392.427 2.021 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cc(F)cc3c2OCOC3)c2ccccc12 ZINC000823657764 607237792 /nfs/dbraw/zinc/23/77/92/607237792.db2.gz UJHLVDYIMHONRL-UHFFFAOYSA-N -1 1 379.351 2.236 20 0 GEADMM Cn1cc2c(=NCc3cccc(-c4ccc(-c5nn[n-]n5)s4)c3)ncnc-2[nH]1 ZINC000826362828 607780943 /nfs/dbraw/zinc/78/09/43/607780943.db2.gz KGHAJULDWYLVRW-UHFFFAOYSA-N -1 1 389.448 2.258 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000826340809 607824393 /nfs/dbraw/zinc/82/43/93/607824393.db2.gz LVQGUOWVXKFBEO-HNNXBMFYSA-N -1 1 386.456 2.332 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000826340809 607824394 /nfs/dbraw/zinc/82/43/94/607824394.db2.gz LVQGUOWVXKFBEO-HNNXBMFYSA-N -1 1 386.456 2.332 20 0 GEADMM COCCN(C(C)=O)c1nc(COc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000826157701 607864927 /nfs/dbraw/zinc/86/49/27/607864927.db2.gz HSXCLTWFNWLRLW-UHFFFAOYSA-N -1 1 392.416 2.041 20 0 GEADMM COCCN(C(C)=O)c1nc(COc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000826157701 607864928 /nfs/dbraw/zinc/86/49/28/607864928.db2.gz HSXCLTWFNWLRLW-UHFFFAOYSA-N -1 1 392.416 2.041 20 0 GEADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825902180 607897400 /nfs/dbraw/zinc/89/74/00/607897400.db2.gz PSRIXVHODVUYDY-LBPRGKRZSA-N -1 1 394.357 2.157 20 0 GEADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825902180 607897401 /nfs/dbraw/zinc/89/74/01/607897401.db2.gz PSRIXVHODVUYDY-LBPRGKRZSA-N -1 1 394.357 2.157 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CCC1 ZINC000824640181 607906763 /nfs/dbraw/zinc/90/67/63/607906763.db2.gz CDYPICIKERAZIO-QMMMGPOBSA-N -1 1 375.376 2.352 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H](C)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332348 607919215 /nfs/dbraw/zinc/91/92/15/607919215.db2.gz RAGRZMPRZISUBP-CYBMUJFWSA-N -1 1 396.451 2.467 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825060952 607997790 /nfs/dbraw/zinc/99/77/90/607997790.db2.gz VHXBQQWHQPRXQU-PXAZEXFGSA-N -1 1 394.435 2.356 20 0 GEADMM CN1C(=O)CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@H]1c1ccccc1 ZINC000826011068 607999482 /nfs/dbraw/zinc/99/94/82/607999482.db2.gz VSMXWYVDMDNPRE-RDTXWAMCSA-N -1 1 392.419 2.121 20 0 GEADMM COc1ccccc1N(C(C)=O)c1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000826220699 608012713 /nfs/dbraw/zinc/01/27/13/608012713.db2.gz WQZHUFPKEDGZJC-UHFFFAOYSA-N -1 1 396.436 2.261 20 0 GEADMM COc1ccccc1N(C(C)=O)c1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000826220699 608012714 /nfs/dbraw/zinc/01/27/14/608012714.db2.gz WQZHUFPKEDGZJC-UHFFFAOYSA-N -1 1 396.436 2.261 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000826255588 608054352 /nfs/dbraw/zinc/05/43/52/608054352.db2.gz CPIKRHVAHLEGFS-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(CC(F)F)CC1CCC1 ZINC000826495029 608056118 /nfs/dbraw/zinc/05/61/18/608056118.db2.gz AFJFJEAZROHRFH-UHFFFAOYSA-N -1 1 375.376 2.062 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933064 608077593 /nfs/dbraw/zinc/07/75/93/608077593.db2.gz DSOHZYRFKRBVGR-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933064 608077594 /nfs/dbraw/zinc/07/75/94/608077594.db2.gz DSOHZYRFKRBVGR-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM COc1ccc(-c2nc(Cn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)cs2)cc1 ZINC000826181573 608079197 /nfs/dbraw/zinc/07/91/97/608079197.db2.gz DZAUWWPSGQXVNO-UHFFFAOYSA-N -1 1 395.448 2.221 20 0 GEADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCN1CC(F)(F)F ZINC000824991441 608100153 /nfs/dbraw/zinc/10/01/53/608100153.db2.gz BBVAEODFTMABCP-LLVKDONJSA-N -1 1 377.374 2.488 20 0 GEADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCN1CC(F)(F)F ZINC000824991441 608100154 /nfs/dbraw/zinc/10/01/54/608100154.db2.gz BBVAEODFTMABCP-LLVKDONJSA-N -1 1 377.374 2.488 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC000826256178 608101432 /nfs/dbraw/zinc/10/14/32/608101432.db2.gz XNMZJKCYNQYHJK-UHFFFAOYSA-N -1 1 383.393 2.026 20 0 GEADMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824466024 608123816 /nfs/dbraw/zinc/12/38/16/608123816.db2.gz VEHDPAMLEWKTMF-JTQLQIEISA-N -1 1 382.815 2.126 20 0 GEADMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824466024 608123817 /nfs/dbraw/zinc/12/38/17/608123817.db2.gz VEHDPAMLEWKTMF-JTQLQIEISA-N -1 1 382.815 2.126 20 0 GEADMM CNS(=O)(=O)c1cccc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826090113 608182514 /nfs/dbraw/zinc/18/25/14/608182514.db2.gz CNZJVHORPNYHHD-ZETCQYMHSA-N -1 1 399.889 2.058 20 0 GEADMM CNS(=O)(=O)c1cccc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826090113 608182517 /nfs/dbraw/zinc/18/25/17/608182517.db2.gz CNZJVHORPNYHHD-ZETCQYMHSA-N -1 1 399.889 2.058 20 0 GEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccc(O)cc1 ZINC000826104203 608183683 /nfs/dbraw/zinc/18/36/83/608183683.db2.gz RPAWHVWZTSUKAP-VIFPVBQESA-N -1 1 394.844 2.126 20 0 GEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccc(O)cc1 ZINC000826104203 608183685 /nfs/dbraw/zinc/18/36/85/608183685.db2.gz RPAWHVWZTSUKAP-VIFPVBQESA-N -1 1 394.844 2.126 20 0 GEADMM Clc1nsc(N2CCC(c3nncn3C3CC3)CC2)c1-c1nnn[n-]1 ZINC000826353797 608184133 /nfs/dbraw/zinc/18/41/33/608184133.db2.gz DNSQLNGUJUMQNX-UHFFFAOYSA-N -1 1 377.865 2.287 20 0 GEADMM Clc1nsc(N2CCC(c3nncn3C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826353797 608184135 /nfs/dbraw/zinc/18/41/35/608184135.db2.gz DNSQLNGUJUMQNX-UHFFFAOYSA-N -1 1 377.865 2.287 20 0 GEADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000826010720 608187534 /nfs/dbraw/zinc/18/75/34/608187534.db2.gz PISMVWRGEBPYAF-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000826010720 608187535 /nfs/dbraw/zinc/18/75/35/608187535.db2.gz PISMVWRGEBPYAF-QMMMGPOBSA-N -1 1 385.881 2.422 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229900 608209337 /nfs/dbraw/zinc/20/93/37/608209337.db2.gz WCVAKVQAOKAZOM-JOYOIKCWSA-N -1 1 392.485 2.013 20 0 GEADMM Cc1cccc(O)c1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826299932 608212038 /nfs/dbraw/zinc/21/20/38/608212038.db2.gz BLOLRFFDCLQYSY-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM Cc1cccc(O)c1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826299932 608212040 /nfs/dbraw/zinc/21/20/40/608212040.db2.gz BLOLRFFDCLQYSY-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM FC(F)(F)c1ccc(O[C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)nc1 ZINC000826368898 608243499 /nfs/dbraw/zinc/24/34/99/608243499.db2.gz FOHCDTAJERYOFF-NSHDSACASA-N -1 1 377.330 2.333 20 0 GEADMM FC(F)(F)c1ccc(O[C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)nc1 ZINC000826368898 608243500 /nfs/dbraw/zinc/24/35/00/608243500.db2.gz FOHCDTAJERYOFF-NSHDSACASA-N -1 1 377.330 2.333 20 0 GEADMM O=C(OC[C@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826478385 608250752 /nfs/dbraw/zinc/25/07/52/608250752.db2.gz AKJYABQCOHKUQW-LLVKDONJSA-N -1 1 397.366 2.091 20 0 GEADMM O=C(OC[C@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826478385 608250753 /nfs/dbraw/zinc/25/07/53/608250753.db2.gz AKJYABQCOHKUQW-LLVKDONJSA-N -1 1 397.366 2.091 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(CSc2nccnc2-c2nn[n-]n2)CC1 ZINC000824104417 608302766 /nfs/dbraw/zinc/30/27/66/608302766.db2.gz SBSCYJVJFYNNFP-UHFFFAOYSA-N -1 1 377.474 2.396 20 0 GEADMM O=C(OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccc([O-])cc1F ZINC000826468007 608323392 /nfs/dbraw/zinc/32/33/92/608323392.db2.gz VRAVSAKVGCBNJO-UHFFFAOYSA-N -1 1 382.311 2.118 20 0 GEADMM CCOc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CCOCC2)cc1 ZINC000825638678 608403431 /nfs/dbraw/zinc/40/34/31/608403431.db2.gz NLADGCKAPLXDCE-UHFFFAOYSA-N -1 1 381.440 2.216 20 0 GEADMM CCOc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CCOCC2)cc1 ZINC000825638678 608403432 /nfs/dbraw/zinc/40/34/32/608403432.db2.gz NLADGCKAPLXDCE-UHFFFAOYSA-N -1 1 381.440 2.216 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825632278 608430464 /nfs/dbraw/zinc/43/04/64/608430464.db2.gz NVURKRIZDOWEOG-ZDUSSCGKSA-N -1 1 396.455 2.125 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825632278 608430466 /nfs/dbraw/zinc/43/04/66/608430466.db2.gz NVURKRIZDOWEOG-ZDUSSCGKSA-N -1 1 396.455 2.125 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1F ZINC000825930294 608549326 /nfs/dbraw/zinc/54/93/26/608549326.db2.gz RPZQWMLOISHLHF-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1F ZINC000825930294 608549327 /nfs/dbraw/zinc/54/93/27/608549327.db2.gz RPZQWMLOISHLHF-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2sccc2c1 ZINC000825935058 608558518 /nfs/dbraw/zinc/55/85/18/608558518.db2.gz SOOUKZUDRTWWGZ-UHFFFAOYSA-N -1 1 382.453 2.092 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2sccc2c1 ZINC000825935058 608558520 /nfs/dbraw/zinc/55/85/20/608558520.db2.gz SOOUKZUDRTWWGZ-UHFFFAOYSA-N -1 1 382.453 2.092 20 0 GEADMM O=C(NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(F)ccc1[O-] ZINC000826430024 608604076 /nfs/dbraw/zinc/60/40/76/608604076.db2.gz RTCXKDVXGLKTRB-UHFFFAOYSA-N -1 1 398.398 2.226 20 0 GEADMM CN(Cc1ccccc1)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825980887 608609188 /nfs/dbraw/zinc/60/91/88/608609188.db2.gz KOYPRLJSSINUGX-UHFFFAOYSA-N -1 1 397.508 2.298 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(C2CCC2)s1 ZINC000825001099 608840050 /nfs/dbraw/zinc/84/00/50/608840050.db2.gz WZRIOJQXJLAJEV-GFCCVEGCSA-N -1 1 397.512 2.091 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ncccc1Cl ZINC000826327974 608874815 /nfs/dbraw/zinc/87/48/15/608874815.db2.gz BFBJDYDZYDHZRG-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ncccc1Cl ZINC000826327974 608874816 /nfs/dbraw/zinc/87/48/16/608874816.db2.gz BFBJDYDZYDHZRG-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824457213 609157873 /nfs/dbraw/zinc/15/78/73/609157873.db2.gz HHKATYQCCDNIFH-SECBINFHSA-N -1 1 394.361 2.372 20 0 GEADMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824457213 609157875 /nfs/dbraw/zinc/15/78/75/609157875.db2.gz HHKATYQCCDNIFH-SECBINFHSA-N -1 1 394.361 2.372 20 0 GEADMM CC(C)c1nnc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1C ZINC000824364359 609278423 /nfs/dbraw/zinc/27/84/23/609278423.db2.gz CJGZSUSXBOJSNH-UHFFFAOYSA-N -1 1 382.407 2.056 20 0 GEADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)Nc1ccccc1F ZINC000826414386 609280209 /nfs/dbraw/zinc/28/02/09/609280209.db2.gz TYHQVJJXJILIPQ-UHFFFAOYSA-N -1 1 396.361 2.381 20 0 GEADMM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccnc1 ZINC000824046508 609289885 /nfs/dbraw/zinc/28/98/85/609289885.db2.gz SSYFMJSHNAMHPJ-LLVKDONJSA-N -1 1 378.371 2.329 20 0 GEADMM C[C@H]1C[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1=O ZINC000824866802 609290568 /nfs/dbraw/zinc/29/05/68/609290568.db2.gz NQCBKCXEGHNIOW-WDEREUQCSA-N -1 1 383.387 2.135 20 0 GEADMM Cn1nc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1C1CC1 ZINC000826366025 609292960 /nfs/dbraw/zinc/29/29/60/609292960.db2.gz PCOMVVCRYJLDPL-UHFFFAOYSA-N -1 1 393.386 2.055 20 0 GEADMM CC[C@@](C)(NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1nccs1 ZINC000825043099 609299557 /nfs/dbraw/zinc/29/95/57/609299557.db2.gz DUMKFMYOFDHJNS-OAHLLOKOSA-N -1 1 391.482 2.201 20 0 GEADMM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)n1C ZINC000826260578 609312862 /nfs/dbraw/zinc/31/28/62/609312862.db2.gz VJZWQKDBSNJOSJ-UHFFFAOYSA-N -1 1 380.387 2.399 20 0 GEADMM CN(C)c1ncc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000825884348 609319859 /nfs/dbraw/zinc/31/98/59/609319859.db2.gz ZTUYORMORBUNCI-UHFFFAOYSA-N -1 1 385.432 2.326 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1F ZINC000824962179 609330613 /nfs/dbraw/zinc/33/06/13/609330613.db2.gz PPTALAZDHSZAOE-GZMMTYOYSA-N -1 1 393.366 2.254 20 0 GEADMM CCC(CC)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000825106597 609331804 /nfs/dbraw/zinc/33/18/04/609331804.db2.gz GHHRJIWYEGHXEJ-OCCSQVGLSA-N -1 1 397.476 2.268 20 0 GEADMM CCC(CC)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000825106597 609331806 /nfs/dbraw/zinc/33/18/06/609331806.db2.gz GHHRJIWYEGHXEJ-OCCSQVGLSA-N -1 1 397.476 2.268 20 0 GEADMM COCCC[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826155676 609353872 /nfs/dbraw/zinc/35/38/72/609353872.db2.gz YCFJGLPPUMNXGK-CYBMUJFWSA-N -1 1 384.440 2.467 20 0 GEADMM O=C(NCCc1nccs1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439987 609362122 /nfs/dbraw/zinc/36/21/22/609362122.db2.gz SUWLOQAQWBFPEC-UHFFFAOYSA-N -1 1 399.415 2.012 20 0 GEADMM Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)ccc1C(=O)[O-] ZINC000826271094 609528480 /nfs/dbraw/zinc/52/84/80/609528480.db2.gz BXZALPURDRULSP-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)[nH]n1 ZINC000824137245 609529917 /nfs/dbraw/zinc/52/99/17/609529917.db2.gz ZENHJUUZGIDHJG-UHFFFAOYSA-N -1 1 381.849 2.342 20 0 GEADMM CS[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC000826226195 609554522 /nfs/dbraw/zinc/55/45/22/609554522.db2.gz UMKKSFHPSBUQQL-CYBMUJFWSA-N -1 1 392.529 2.411 20 0 GEADMM CC1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCC(F)(F)CC1 ZINC000824838902 609609989 /nfs/dbraw/zinc/60/99/89/609609989.db2.gz WKEWCRVXUIILPO-UHFFFAOYSA-N -1 1 375.376 2.252 20 0 GEADMM CC1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCC(F)(F)CC1 ZINC000824838902 609609990 /nfs/dbraw/zinc/60/99/90/609609990.db2.gz WKEWCRVXUIILPO-UHFFFAOYSA-N -1 1 375.376 2.252 20 0 GEADMM CC/C(C)=C(/C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825053065 609639543 /nfs/dbraw/zinc/63/95/43/609639543.db2.gz ZRADRZUXSNPOOH-SEYXRHQNSA-N -1 1 395.423 2.281 20 0 GEADMM CC/C(C)=C(/C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825053065 609639545 /nfs/dbraw/zinc/63/95/45/609639545.db2.gz ZRADRZUXSNPOOH-SEYXRHQNSA-N -1 1 395.423 2.281 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000449151809 650032987 /nfs/dbraw/zinc/03/29/87/650032987.db2.gz BMWOHHSBHVTZAY-GHMZBOCLSA-N -1 1 378.372 2.314 20 0 GEADMM NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450917283 650075586 /nfs/dbraw/zinc/07/55/86/650075586.db2.gz CXPUCCGKCVDMDL-LBPRGKRZSA-N -1 1 399.220 2.083 20 0 GEADMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)c1 ZINC000451115502 650088146 /nfs/dbraw/zinc/08/81/46/650088146.db2.gz NHGJVELERSAPFU-UHFFFAOYSA-N -1 1 386.861 2.233 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(OC)cc1 ZINC000451165383 650092116 /nfs/dbraw/zinc/09/21/16/650092116.db2.gz KNDQMVWMXNNZLK-JSGCOSHPSA-N -1 1 377.409 2.264 20 0 GEADMM O=C1CCCC(=O)N1CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451256724 650098873 /nfs/dbraw/zinc/09/88/73/650098873.db2.gz AJXHAAQHXTWZCF-UHFFFAOYSA-N -1 1 386.882 2.372 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]2C)c(F)c1 ZINC000451276904 650100226 /nfs/dbraw/zinc/10/02/26/650100226.db2.gz PUMUGIOCBJUOJT-NWDGAFQWSA-N -1 1 378.491 2.396 20 0 GEADMM COC(=O)[C@@]1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCOC1 ZINC000451299563 650102066 /nfs/dbraw/zinc/10/20/66/650102066.db2.gz ZUFDLIOZWPCEQO-CQSZACIVSA-N -1 1 375.855 2.165 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CCSC2)c(F)c1 ZINC000451334563 650104603 /nfs/dbraw/zinc/10/46/03/650104603.db2.gz CCKPXHVUGMVIFL-LBPRGKRZSA-N -1 1 396.531 2.103 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)c(F)c1 ZINC000451342179 650105383 /nfs/dbraw/zinc/10/53/83/650105383.db2.gz GBCDPHHODOJKOC-UHFFFAOYSA-N -1 1 390.502 2.446 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](C)(F)C2)c(F)c1 ZINC000451366669 650107927 /nfs/dbraw/zinc/10/79/27/650107927.db2.gz INTMLSZFWYGPDF-CQSZACIVSA-N -1 1 382.454 2.100 20 0 GEADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2sccc2Cl)(C(=O)OC)C1(C)C ZINC000451441132 650114391 /nfs/dbraw/zinc/11/43/91/650114391.db2.gz YZCKAGAUAFCUCX-IINYFYTJSA-N -1 1 381.903 2.427 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CC2(C)C)c(F)c1 ZINC000451473568 650118665 /nfs/dbraw/zinc/11/86/65/650118665.db2.gz OPHXPOIBYCCTEH-AWEZNQCLSA-N -1 1 378.491 2.396 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nc(C)c(Br)s2)o1 ZINC000451667117 650131181 /nfs/dbraw/zinc/13/11/81/650131181.db2.gz WOLKVORKLHGCHV-UHFFFAOYSA-N -1 1 395.256 2.072 20 0 GEADMM COCC(COC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000451885737 650150228 /nfs/dbraw/zinc/15/02/28/650150228.db2.gz BGBZQVSBRUQTII-UHFFFAOYSA-N -1 1 390.658 2.181 20 0 GEADMM CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1C(C)C ZINC000451909705 650152137 /nfs/dbraw/zinc/15/21/37/650152137.db2.gz LPGPICQAAGUJHP-BBRMVZONSA-N -1 1 392.518 2.498 20 0 GEADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451909709 650152511 /nfs/dbraw/zinc/15/25/11/650152511.db2.gz LPGPICQAAGUJHP-CZUORRHYSA-N -1 1 392.518 2.498 20 0 GEADMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000451951977 650157343 /nfs/dbraw/zinc/15/73/43/650157343.db2.gz FHXBQHYGWMELFA-ZCFIWIBFSA-N -1 1 387.658 2.045 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)o1 ZINC000452082066 650171723 /nfs/dbraw/zinc/17/17/23/650171723.db2.gz IUHSJTWQTSDQRU-AWEZNQCLSA-N -1 1 385.463 2.310 20 0 GEADMM CCOc1cc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cc(Cl)c1[O-] ZINC000456197495 650333429 /nfs/dbraw/zinc/33/34/29/650333429.db2.gz RWGVZCLIYKXLCO-GFCCVEGCSA-N -1 1 375.874 2.484 20 0 GEADMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nc1 ZINC000540619246 650365455 /nfs/dbraw/zinc/36/54/55/650365455.db2.gz RZTIJVWTOWOCHG-UHFFFAOYSA-N -1 1 395.853 2.153 20 0 GEADMM O=C(NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ncccc1[O-] ZINC000458124659 650396629 /nfs/dbraw/zinc/39/66/29/650396629.db2.gz BPLPIASPNPZHJB-NSHDSACASA-N -1 1 383.217 2.270 20 0 GEADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c1 ZINC000501795446 650397508 /nfs/dbraw/zinc/39/75/08/650397508.db2.gz LZBTXRUBOAZOII-UHFFFAOYSA-N -1 1 383.447 2.068 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n1 ZINC000506930254 650452197 /nfs/dbraw/zinc/45/21/97/650452197.db2.gz SWIXODBHXSGARM-UHFFFAOYSA-N -1 1 389.220 2.125 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c(Cl)c2F)c1 ZINC000461468109 650455048 /nfs/dbraw/zinc/45/50/48/650455048.db2.gz YHIXDNNLDPLWRM-UHFFFAOYSA-N -1 1 376.768 2.484 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)ccc1F ZINC000507599112 650464244 /nfs/dbraw/zinc/46/42/44/650464244.db2.gz WHIFHLCIPCQITJ-UHFFFAOYSA-N -1 1 390.483 2.257 20 0 GEADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)ccc1F ZINC000507571040 650463122 /nfs/dbraw/zinc/46/31/22/650463122.db2.gz VNCHWHYYGQJIEX-UHFFFAOYSA-N -1 1 383.422 2.159 20 0 GEADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)c1 ZINC000507630121 650465436 /nfs/dbraw/zinc/46/54/36/650465436.db2.gz NITRNWCWILEXQV-UHFFFAOYSA-N -1 1 384.841 2.001 20 0 GEADMM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(Br)c(O)c1 ZINC000507882528 650468856 /nfs/dbraw/zinc/46/88/56/650468856.db2.gz LLYFJFZEPGKCAB-UHFFFAOYSA-N -1 1 376.170 2.088 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc(S(C)(=O)=O)c1 ZINC000507612337 650464886 /nfs/dbraw/zinc/46/48/86/650464886.db2.gz AMLASLRMPQDTSL-UHFFFAOYSA-N -1 1 389.426 2.047 20 0 GEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1Br ZINC000508095599 650474453 /nfs/dbraw/zinc/47/44/53/650474453.db2.gz NZSJPNBCQIHVNW-UHFFFAOYSA-N -1 1 388.243 2.214 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1Cl ZINC000508143850 650475890 /nfs/dbraw/zinc/47/58/90/650475890.db2.gz PEVMNYAOAFCATF-GFCCVEGCSA-N -1 1 387.763 2.126 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCn1cccn1 ZINC000508824408 650483255 /nfs/dbraw/zinc/48/32/55/650483255.db2.gz YJLMUQDIBQSDAN-UHFFFAOYSA-N -1 1 392.264 2.345 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(C2CC2)C1 ZINC000508873350 650484137 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COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000512785876 650554255 /nfs/dbraw/zinc/55/42/55/650554255.db2.gz QDMVTUZQIQBRRB-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC(F)F ZINC000513377196 650562261 /nfs/dbraw/zinc/56/22/61/650562261.db2.gz KFLYAFNNPVFFOF-UHFFFAOYSA-N -1 1 392.405 2.045 20 0 GEADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3Br)cc2C[C@H]1C ZINC000515173835 650588560 /nfs/dbraw/zinc/58/85/60/650588560.db2.gz RQVPTAUYDUDATN-MRVPVSSYSA-N -1 1 399.270 2.271 20 0 GEADMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 ZINC000515879146 650595455 /nfs/dbraw/zinc/59/54/55/650595455.db2.gz ITXLDXSJNTVJGW-UHFFFAOYSA-N -1 1 399.841 2.470 20 0 GEADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1nnc[nH]1 ZINC000479554109 650606272 /nfs/dbraw/zinc/60/62/72/650606272.db2.gz YPRPMILGSAQRNN-JTQLQIEISA-N -1 1 377.451 2.158 20 0 GEADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1OCCOC ZINC000519707533 650611023 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CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000111353847 643336956 /nfs/dbraw/zinc/33/69/56/643336956.db2.gz ZEFFNXBCQYILHN-VIFPVBQESA-N -1 1 380.388 2.392 20 0 GEADMM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538952219 650839718 /nfs/dbraw/zinc/83/97/18/650839718.db2.gz BAVREBLLZYWNGN-UHFFFAOYSA-N -1 1 384.841 2.489 20 0 GEADMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538951468 650839758 /nfs/dbraw/zinc/83/97/58/650839758.db2.gz IGCQDIAWUUPPLB-CQSZACIVSA-N -1 1 384.841 2.489 20 0 GEADMM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000116357288 643460310 /nfs/dbraw/zinc/46/03/10/643460310.db2.gz FFGPLLGJQZHARH-WDEREUQCSA-N -1 1 378.416 2.466 20 0 GEADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@]1(O)CCSC1 ZINC000497923278 650841372 /nfs/dbraw/zinc/84/13/72/650841372.db2.gz XSXCCUDGZKGOMW-KRWDZBQOSA-N -1 1 378.475 2.294 20 0 GEADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)cc1 ZINC000116601453 643466483 /nfs/dbraw/zinc/46/64/83/643466483.db2.gz WAEXSDJVQSOPNA-UHFFFAOYSA-N -1 1 378.523 2.356 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000117368369 643489415 /nfs/dbraw/zinc/48/94/15/643489415.db2.gz JKHNVXGLLGWEQG-ZDUSSCGKSA-N -1 1 386.880 2.468 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)o1 ZINC000118351373 643510631 /nfs/dbraw/zinc/51/06/31/643510631.db2.gz GKFAVQHOSGHBMW-LBPRGKRZSA-N -1 1 380.319 2.360 20 0 GEADMM Cc1nc(-c2cccs2)sc1C(=O)[N-]c1nc(CS(C)(=O)=O)no1 ZINC000118747325 643521252 /nfs/dbraw/zinc/52/12/52/643521252.db2.gz JTHZNLIPJMNBDE-UHFFFAOYSA-N -1 1 384.464 2.360 20 0 GEADMM O=S(=O)([N-]c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000119675020 643565242 /nfs/dbraw/zinc/56/52/42/643565242.db2.gz MPCNFBYJDQMHMY-UHFFFAOYSA-N -1 1 388.417 2.306 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1Cl ZINC000122201441 643651985 /nfs/dbraw/zinc/65/19/85/643651985.db2.gz RTGVHHMMOFLLFD-VIFPVBQESA-N -1 1 393.271 2.423 20 0 GEADMM Cc1ccc(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)c(Br)c1 ZINC000127168201 643761464 /nfs/dbraw/zinc/76/14/64/643761464.db2.gz IKNMZALTAIOKQK-UHFFFAOYSA-N -1 1 399.270 2.165 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3c2cccc3Br)co1 ZINC000129640386 643825364 /nfs/dbraw/zinc/82/53/64/643825364.db2.gz HVDMUYCIFXMLOG-ZDUSSCGKSA-N -1 1 399.266 2.368 20 0 GEADMM COc1cc(Br)ccc1CCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000541095945 650871398 /nfs/dbraw/zinc/87/13/98/650871398.db2.gz QQBBBZFGDSACPL-UHFFFAOYSA-N -1 1 394.273 2.489 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCOc2ncc(Cl)cc2Cl)c1Cl ZINC000132844689 643887025 /nfs/dbraw/zinc/88/70/25/643887025.db2.gz CMBNCWJUYGLFBR-UHFFFAOYSA-N -1 1 385.660 2.133 20 0 GEADMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000146405787 643925369 /nfs/dbraw/zinc/92/53/69/643925369.db2.gz BQOKUILNINNMTN-VIFPVBQESA-N -1 1 391.444 2.422 20 0 GEADMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 ZINC000499276279 650878297 /nfs/dbraw/zinc/87/82/97/650878297.db2.gz 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O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000166575691 644277300 /nfs/dbraw/zinc/27/73/00/644277300.db2.gz FHPAXXRMKOQXTM-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM O=C(Nc1ccc(C(=O)Nc2nnn[n-]2)cc1)c1ccc(Br)o1 ZINC000170852314 644292202 /nfs/dbraw/zinc/29/22/02/644292202.db2.gz ZWWIYKMHIZLQKR-UHFFFAOYSA-N -1 1 377.158 2.060 20 0 GEADMM O=C(Nc1ccc(C(=O)Nc2nn[n-]n2)cc1)c1ccc(Br)o1 ZINC000170852314 644292239 /nfs/dbraw/zinc/29/22/39/644292239.db2.gz ZWWIYKMHIZLQKR-UHFFFAOYSA-N -1 1 377.158 2.060 20 0 GEADMM Cn1[n-]c(CN2CCC[C@H]2c2ccccc2I)nc1=O ZINC000543438525 650911936 /nfs/dbraw/zinc/91/19/36/650911936.db2.gz OPGZFPWHELITHL-LBPRGKRZSA-N -1 1 384.221 2.050 20 0 GEADMM CNC(=O)Cn1cnc([N-]C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)n1 ZINC000172671967 644341938 /nfs/dbraw/zinc/34/19/38/644341938.db2.gz PPFPFKGRNTZYAJ-UHFFFAOYSA-N -1 1 398.037 2.285 20 0 GEADMM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000172809676 644345584 /nfs/dbraw/zinc/34/55/84/644345584.db2.gz PKCLINAHNKYUFV-UHFFFAOYSA-N -1 1 381.262 2.442 20 0 GEADMM C[C@@](O)(CNC(=O)c1cc(I)ccc1[O-])c1ccco1 ZINC000173688502 644360715 /nfs/dbraw/zinc/36/07/15/644360715.db2.gz HMKQTIRNKJAKHD-CQSZACIVSA-N -1 1 387.173 2.227 20 0 GEADMM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000543653367 650917009 /nfs/dbraw/zinc/91/70/09/650917009.db2.gz WYQSXZJOLNLNKH-UHFFFAOYSA-N -1 1 397.172 2.366 20 0 GEADMM O=C(C[N-]C(=O)C(F)(F)C(F)F)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000176334124 644401535 /nfs/dbraw/zinc/40/15/35/644401535.db2.gz JJVYSOXLAIQGAR-UHFFFAOYSA-N -1 1 381.757 2.005 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C)c(Br)c2)n1 ZINC000176720439 644404978 /nfs/dbraw/zinc/40/49/78/644404978.db2.gz QEXAKPVEPOEQKW-UHFFFAOYSA-N -1 1 387.259 2.170 20 0 GEADMM COCCCOC1CN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000176920279 644407083 /nfs/dbraw/zinc/40/70/83/644407083.db2.gz RKZLJFHDGAKMJM-UHFFFAOYSA-N -1 1 382.511 2.323 20 0 GEADMM C[C@@H](NC(=O)c1ncn[nH]1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000543763770 650922949 /nfs/dbraw/zinc/92/29/49/650922949.db2.gz WQJHPKHWPHUSNF-SNVBAGLBSA-N -1 1 377.451 2.158 20 0 GEADMM C[C@@H](NC(=O)c1nc[nH]n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000543763770 650922953 /nfs/dbraw/zinc/92/29/53/650922953.db2.gz WQJHPKHWPHUSNF-SNVBAGLBSA-N -1 1 377.451 2.158 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC(C)(C)C1 ZINC000544100363 650932911 /nfs/dbraw/zinc/93/29/11/650932911.db2.gz DSCIBLOWUHZBFL-LLVKDONJSA-N -1 1 378.491 2.254 20 0 GEADMM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1cc(Br)ccc1F ZINC000544610864 650946199 /nfs/dbraw/zinc/94/61/99/650946199.db2.gz CGEQIEVAQAQQMA-VIFPVBQESA-N -1 1 380.157 2.180 20 0 GEADMM O=S(=O)([N-]Cc1ccnc(-n2cccn2)c1)c1ccc(Br)o1 ZINC000544748499 650952152 /nfs/dbraw/zinc/95/21/52/650952152.db2.gz YVASZXLXXWOZAP-UHFFFAOYSA-N -1 1 383.227 2.101 20 0 GEADMM CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000544870213 650956771 /nfs/dbraw/zinc/95/67/71/650956771.db2.gz BHXBLEVCXJILFW-SECBINFHSA-N -1 1 391.205 2.314 20 0 GEADMM COc1ccc(C(=O)[N-]NC(=O)c2c[nH]c3ccccc23)nc1Br ZINC000182623039 644965835 /nfs/dbraw/zinc/96/58/35/644965835.db2.gz DFDJWFKATOKEBL-UHFFFAOYSA-N -1 1 389.209 2.409 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(=O)N2CCC(O)CC2)c1 ZINC000182915855 644974332 /nfs/dbraw/zinc/97/43/32/644974332.db2.gz LBVQWPLVTCSMCE-UHFFFAOYSA-N -1 1 385.258 2.165 20 0 GEADMM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000183785623 645003369 /nfs/dbraw/zinc/00/33/69/645003369.db2.gz QZKCUIAFGLXXJP-ZDUSSCGKSA-N -1 1 376.843 2.496 20 0 GEADMM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(Cn2cc(Br)cn2)on1 ZINC000184581597 645021219 /nfs/dbraw/zinc/02/12/19/645021219.db2.gz NMIXXQJJJIEKGU-UHFFFAOYSA-N -1 1 392.217 2.320 20 0 GEADMM COCCCOCCN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000545502427 650977095 /nfs/dbraw/zinc/97/70/95/650977095.db2.gz DVKZHECESJZJNG-UHFFFAOYSA-N -1 1 393.221 2.122 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000184990634 645030240 /nfs/dbraw/zinc/03/02/40/645030240.db2.gz GGCQOFIALJUTBC-QMMMGPOBSA-N -1 1 381.380 2.165 20 0 GEADMM CCC[C@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)OC ZINC000545499845 650977194 /nfs/dbraw/zinc/97/71/94/650977194.db2.gz FYGKHRXCQMDRLR-JTQLQIEISA-N -1 1 377.178 2.068 20 0 GEADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000185651717 645050856 /nfs/dbraw/zinc/05/08/56/645050856.db2.gz DQHOSUQCKHZMKU-XMMPIXPASA-N -1 1 377.443 2.472 20 0 GEADMM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]NC(=O)Cc1cc[nH]n1 ZINC000186107885 645060680 /nfs/dbraw/zinc/06/06/80/645060680.db2.gz YKSAPBBOYFJWLU-UHFFFAOYSA-N -1 1 375.841 2.499 20 0 GEADMM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000188352549 645114189 /nfs/dbraw/zinc/11/41/89/645114189.db2.gz REJVFHKFJUDOQS-AWEZNQCLSA-N -1 1 384.841 2.439 20 0 GEADMM O=C(NOCc1ccc(F)cc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188921918 645129138 /nfs/dbraw/zinc/12/91/38/645129138.db2.gz FBWBQWGWFKABBN-UHFFFAOYSA-N -1 1 386.133 2.459 20 0 GEADMM COc1ccccc1NCC(=O)N[N-]C(=O)c1cccc(Br)c1F 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384.527 2.124 20 0 GEADMM Cn1ncc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)c1C(F)(F)F ZINC000195158272 645358412 /nfs/dbraw/zinc/35/84/12/645358412.db2.gz MVEHQSCLCYCXOH-UHFFFAOYSA-N -1 1 391.400 2.183 20 0 GEADMM Cn1ncc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)c1C(F)(F)F ZINC000195158272 645358422 /nfs/dbraw/zinc/35/84/22/645358422.db2.gz MVEHQSCLCYCXOH-UHFFFAOYSA-N -1 1 391.400 2.183 20 0 GEADMM CCS(=O)(=O)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000195289301 645370013 /nfs/dbraw/zinc/37/00/13/645370013.db2.gz KOFIGGIHZGIGIU-UHFFFAOYSA-N -1 1 376.272 2.194 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000195451289 645380024 /nfs/dbraw/zinc/38/00/24/645380024.db2.gz OLZZBUNZBOUMBA-UHFFFAOYSA-N -1 1 376.406 2.333 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)[O-])c1)N(C)C ZINC000228412744 645396270 /nfs/dbraw/zinc/39/62/70/645396270.db2.gz VQZIHUBHCOUSJB-ZETCQYMHSA-N -1 1 399.694 2.029 20 0 GEADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)NC(C)(C)C ZINC000230890486 645401245 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GEADMM COC1(CS(=O)(=O)[N-]c2cccc(C(=O)N3CCSCC3)c2)CCC1 ZINC000634788172 652664451 /nfs/dbraw/zinc/66/44/51/652664451.db2.gz HKJCFQXOQXAGEV-UHFFFAOYSA-N -1 1 384.523 2.186 20 0 GEADMM CCNC(=O)c1cc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c(C)s1 ZINC000634796826 652667025 /nfs/dbraw/zinc/66/70/25/652667025.db2.gz IETABXPOFGFZNJ-INIZCTEOSA-N -1 1 390.527 2.132 20 0 GEADMM CCOC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)ccc1Cl ZINC000594696123 652673357 /nfs/dbraw/zinc/67/33/57/652673357.db2.gz VPIRPIFUHXIZOK-ABAIWWIYSA-N -1 1 391.873 2.310 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)C1(CO)CC1 ZINC000594826124 652689501 /nfs/dbraw/zinc/68/95/01/652689501.db2.gz DKLKYCOTVNOELT-QMMMGPOBSA-N -1 1 382.265 2.219 20 0 GEADMM COC(=O)c1sccc1NC(=O)Cc1sc(N2CCCCC2)nc1[O-] ZINC000762430201 652690429 /nfs/dbraw/zinc/69/04/29/652690429.db2.gz CZZFDELWWSBWNR-LLVKDONJSA-N -1 1 381.479 2.347 20 0 GEADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000594866899 652694014 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2.189 20 0 GEADMM CC(C)C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)OC(C)(C)C ZINC000819897608 653761049 /nfs/dbraw/zinc/76/10/49/653761049.db2.gz RJYFSVBVEDJURY-NSHDSACASA-N -1 1 379.910 2.356 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1)C1CCCCC1 ZINC000882167869 653767205 /nfs/dbraw/zinc/76/72/05/653767205.db2.gz AOQIZFZBCMSWES-XMMPIXPASA-N -1 1 397.469 2.448 20 0 GEADMM CN(C)[S@](=O)(=NS(=O)(=O)[N-]CC1(C(F)(F)F)CC1)c1ccccc1 ZINC000882192460 653768323 /nfs/dbraw/zinc/76/83/23/653768323.db2.gz BVMJFABGKINMIZ-HSZRJFAPSA-N -1 1 385.433 2.167 20 0 GEADMM CN(C)[S@](=O)(=NS(=O)(=O)[N-]Cc1cnc(Cl)s1)c1ccccc1 ZINC000882203094 653769158 /nfs/dbraw/zinc/76/91/58/653769158.db2.gz NRIGVQJNKJIMEN-JOCHJYFZSA-N -1 1 394.931 2.135 20 0 GEADMM O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000865595723 653769313 /nfs/dbraw/zinc/76/93/13/653769313.db2.gz FDXDVIZFTJEHCQ-LLVKDONJSA-N -1 1 382.207 2.395 20 0 GEADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2ccccc2C(F)(F)F)CCC1 ZINC000843017654 653777181 /nfs/dbraw/zinc/77/71/81/653777181.db2.gz HYURLWNDAYDXGY-UHFFFAOYSA-N -1 1 378.416 2.178 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)cn1 ZINC000789735100 653780643 /nfs/dbraw/zinc/78/06/43/653780643.db2.gz OFKRYRPBTKYZEY-UHFFFAOYSA-N -1 1 386.227 2.135 20 0 GEADMM CC1(C)C[C@@](C)([N-]S(=O)(=O)c2cc(Br)ccc2F)C(=O)O1 ZINC000820731103 653781594 /nfs/dbraw/zinc/78/15/94/653781594.db2.gz OCUIRIFKFOOKGV-CYBMUJFWSA-N -1 1 380.235 2.351 20 0 GEADMM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882438246 653781810 /nfs/dbraw/zinc/78/18/10/653781810.db2.gz BABBOQLPISNXDR-MRVPVSSYSA-N -1 1 384.763 2.294 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000882499620 653785043 /nfs/dbraw/zinc/78/50/43/653785043.db2.gz NDUHGECWHMKLMO-FATZIPQQSA-N -1 1 378.560 2.458 20 0 GEADMM COc1cc[n-]c(=NNS(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000790053709 653786231 /nfs/dbraw/zinc/78/62/31/653786231.db2.gz IPEAVKVASIYYRT-UHFFFAOYSA-N -1 1 393.650 2.207 20 0 GEADMM CCCn1cc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)OC)ccc1=O ZINC000790054888 653786244 /nfs/dbraw/zinc/78/62/44/653786244.db2.gz ROKFEFWWRMDDCH-UHFFFAOYSA-N -1 1 384.841 2.499 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](CF)C2)c(F)c1 ZINC000882594984 653790237 /nfs/dbraw/zinc/79/02/37/653790237.db2.gz LIFJJUSRHDOAIZ-GFCCVEGCSA-N -1 1 396.481 2.348 20 0 GEADMM COc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1OC ZINC000866383910 653792330 /nfs/dbraw/zinc/79/23/30/653792330.db2.gz FCSHFVSKIWHJLE-XMMPIXPASA-N -1 1 384.479 2.195 20 0 GEADMM CCOCCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000866387768 653792546 /nfs/dbraw/zinc/79/25/46/653792546.db2.gz WSLGPDSVUGOOCE-FQEVSTJZSA-N -1 1 399.332 2.167 20 0 GEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccoc1)c1sccc1Br ZINC000882642875 653793954 /nfs/dbraw/zinc/79/39/54/653793954.db2.gz CVDMEIIBDIFZSI-SNVBAGLBSA-N -1 1 380.285 2.233 20 0 GEADMM O=S(=O)([N-]CC[C@H]1CCCS1(=O)=O)c1c(Cl)cc(F)cc1Cl ZINC000882673021 653796749 /nfs/dbraw/zinc/79/67/49/653796749.db2.gz FBQUKGZERKHIDN-SECBINFHSA-N -1 1 390.285 2.378 20 0 GEADMM COc1cc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)ccc1OC(C)C ZINC000866481084 653797987 /nfs/dbraw/zinc/79/79/87/653797987.db2.gz LJKKYOWWLPPBJE-UHFFFAOYSA-N -1 1 376.500 2.079 20 0 GEADMM CN(C)[S@@](=O)(=NS(=O)(=O)[N-]c1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000882685528 653798171 /nfs/dbraw/zinc/79/81/71/653798171.db2.gz SPMGXZCGGNHMKC-DEOSSOPVSA-N -1 1 385.515 2.299 20 0 GEADMM CCCCOc1ccc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1OC ZINC000866495608 653798933 /nfs/dbraw/zinc/79/89/33/653798933.db2.gz FTUUVORVZPAVJC-UHFFFAOYSA-N -1 1 390.527 2.470 20 0 GEADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1 ZINC000882709842 653799272 /nfs/dbraw/zinc/79/92/72/653799272.db2.gz GRVIMLLIORETAH-SFHVURJKSA-N -1 1 390.712 2.334 20 0 GEADMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c1 ZINC000866578645 653803298 /nfs/dbraw/zinc/80/32/98/653803298.db2.gz PULSYQSMAXICSZ-LLVKDONJSA-N -1 1 377.388 2.493 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]CCN1CCc2sccc2C1)c1ccccc1 ZINC000866580740 653803867 /nfs/dbraw/zinc/80/38/67/653803867.db2.gz QCDBGVKQESVGGM-DEOSSOPVSA-N -1 1 399.563 2.098 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)[C@@H]1CCCOC1 ZINC000882762073 653805524 /nfs/dbraw/zinc/80/55/24/653805524.db2.gz RDLLLARTHBQZGV-MFKMUULPSA-N -1 1 377.409 2.235 20 0 GEADMM COc1cc2ccc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)cc2cc1OC ZINC000882766041 653805898 /nfs/dbraw/zinc/80/58/98/653805898.db2.gz SPECGRYCKSKQSM-DEOSSOPVSA-N -1 1 387.483 2.088 20 0 GEADMM O=S(=O)(Cc1c(F)cccc1Cl)[N-]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000882782136 653807575 /nfs/dbraw/zinc/80/75/75/653807575.db2.gz JATAYHYWDMAFCR-SECBINFHSA-N -1 1 385.713 2.457 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000866673579 653809565 /nfs/dbraw/zinc/80/95/65/653809565.db2.gz DIKMJCRLUCSJOD-UHFFFAOYSA-N -1 1 376.500 2.035 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2F)c1Br ZINC000882807688 653809835 /nfs/dbraw/zinc/80/98/35/653809835.db2.gz CRJLONKGDYZKSH-YPMHNXCESA-N -1 1 388.262 2.487 20 0 GEADMM CN(C)c1cccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)c1 ZINC000866678556 653810214 /nfs/dbraw/zinc/81/02/14/653810214.db2.gz BGHHNJJSEUPSPK-DEOSSOPVSA-N -1 1 385.486 2.383 20 0 GEADMM COC1(CS(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)CCOCC1 ZINC000844653357 653811537 /nfs/dbraw/zinc/81/15/37/653811537.db2.gz FSEWCUZGSLJHQL-UHFFFAOYSA-N -1 1 388.511 2.398 20 0 GEADMM COc1cccc(Br)c1CS(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000866688744 653811970 /nfs/dbraw/zinc/81/19/70/653811970.db2.gz XTKDPQSZUMFJRZ-MRVPVSSYSA-N -1 1 390.259 2.330 20 0 GEADMM O=S(=O)([N-][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1cccnc1F ZINC000882870641 653816297 /nfs/dbraw/zinc/81/62/97/653816297.db2.gz NLXJXDVBYNQDQH-DGCLKSJQSA-N -1 1 378.347 2.034 20 0 GEADMM COCc1cc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)ccc1F ZINC000866752258 653819227 /nfs/dbraw/zinc/81/92/27/653819227.db2.gz KCGPMVAMXXEPSV-DEOSSOPVSA-N -1 1 386.470 2.463 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000866795448 653827752 /nfs/dbraw/zinc/82/77/52/653827752.db2.gz YRFANNFTXOWDSJ-OIRASMEMSA-N -1 1 399.460 2.236 20 0 GEADMM O=C(c1ccc(I)cc1[O-])N1CCC(n2ccnn2)CC1 ZINC000866851160 653838037 /nfs/dbraw/zinc/83/80/37/653838037.db2.gz JCGJATKINIYWJB-UHFFFAOYSA-N -1 1 398.204 2.066 20 0 GEADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(c2ccccc2Br)CC1 ZINC000866861894 653839940 /nfs/dbraw/zinc/83/99/40/653839940.db2.gz YUCKQMVSLSCUOR-HXUWFJFHSA-N -1 1 395.344 2.433 20 0 GEADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cnn(C)c2Br)C2CC2)n1 ZINC000866873993 653841105 /nfs/dbraw/zinc/84/11/05/653841105.db2.gz CVBZJYCYVWJJQJ-JTQLQIEISA-N -1 1 391.316 2.377 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)Oc1ccccc1F ZINC000866883532 653843290 /nfs/dbraw/zinc/84/32/90/653843290.db2.gz WYZPSTFQQKIZGJ-VIFPVBQESA-N -1 1 381.351 2.324 20 0 GEADMM CCc1cnc(CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)s1 ZINC000866886647 653843982 /nfs/dbraw/zinc/84/39/82/653843982.db2.gz FRFIIAVINXRDPJ-HSZRJFAPSA-N -1 1 391.515 2.378 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1c(C)nn(C)c1C ZINC000866889421 653844336 /nfs/dbraw/zinc/84/43/36/653844336.db2.gz TYNRCEWXBFBXMC-OYLFLEFRSA-N -1 1 384.527 2.479 20 0 GEADMM CCS(=O)(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)s1 ZINC000792494358 653844625 /nfs/dbraw/zinc/84/46/25/653844625.db2.gz XFQSDQVPYRTTPM-UHFFFAOYSA-N -1 1 383.495 2.399 20 0 GEADMM CCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)CC1 ZINC000792587382 653846710 /nfs/dbraw/zinc/84/67/10/653846710.db2.gz WNIGMZNWUAJKMD-UHFFFAOYSA-N -1 1 390.889 2.152 20 0 GEADMM CCC(CC)(CCO)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000866905029 653847308 /nfs/dbraw/zinc/84/73/08/653847308.db2.gz VYDSEQFQRVWINU-QHCPKHFHSA-N -1 1 380.507 2.306 20 0 GEADMM C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(I)cc1[O-] ZINC000866923990 653850189 /nfs/dbraw/zinc/85/01/89/653850189.db2.gz PULNFRNYPTWECE-MWLCHTKSSA-N -1 1 375.206 2.372 20 0 GEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1cc(Cl)cnc1Cl ZINC000866945677 653853147 /nfs/dbraw/zinc/85/31/47/653853147.db2.gz POCRHMUCIZRQHU-SNVBAGLBSA-N -1 1 391.255 2.480 20 0 GEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866974597 653858548 /nfs/dbraw/zinc/85/85/48/653858548.db2.gz RMBUDPNNOCPNTB-LDYMZIIASA-N -1 1 392.250 2.102 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c1C(F)(F)F ZINC000866990329 653860845 /nfs/dbraw/zinc/86/08/45/653860845.db2.gz URCKWTQCRGIVHL-SNVBAGLBSA-N -1 1 399.460 2.162 20 0 GEADMM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866999948 653862866 /nfs/dbraw/zinc/86/28/66/653862866.db2.gz CBSLMPSPNXWKMG-DTWKUNHWSA-N -1 1 383.417 2.291 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1 ZINC000867027919 653868212 /nfs/dbraw/zinc/86/82/12/653868212.db2.gz JMBLNPDHJWDWRP-LWGGTIPFSA-N -1 1 392.593 2.357 20 0 GEADMM CCOc1cc(-c2noc(C[C@H]3CCNC3=O)n2)cc(Br)c1[O-] ZINC000896205435 653868930 /nfs/dbraw/zinc/86/89/30/653868930.db2.gz GZPXXMBLPFYCNP-MRVPVSSYSA-N -1 1 382.214 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ZINC000867118760 653881820 /nfs/dbraw/zinc/88/18/20/653881820.db2.gz YCAVXVCOIRPSFO-DXMSMQRWSA-N -1 1 390.502 2.322 20 0 GEADMM CCOCCS(=O)(=O)[N-]Cc1nc([C@H]2CCSc3ccccc32)no1 ZINC000867146627 653886281 /nfs/dbraw/zinc/88/62/81/653886281.db2.gz VZJWKNLXVISRPK-ZDUSSCGKSA-N -1 1 383.495 2.153 20 0 GEADMM CCOC(=O)[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000884734412 653886794 /nfs/dbraw/zinc/88/67/94/653886794.db2.gz GRUMOLYQMGVILO-SECBINFHSA-N -1 1 389.189 2.022 20 0 GEADMM COc1ccc(C)cc1C1(C[N-]S(=O)(=O)c2ccns2)CCOCC1 ZINC000884976452 653902522 /nfs/dbraw/zinc/90/25/22/653902522.db2.gz QGAXVNFEIMNFFN-UHFFFAOYSA-N -1 1 382.507 2.487 20 0 GEADMM O=S(=O)([N-]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccns1 ZINC000884997272 653904476 /nfs/dbraw/zinc/90/44/76/653904476.db2.gz OESILQWOESTEBW-CQSZACIVSA-N -1 1 387.914 2.148 20 0 GEADMM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867271649 653906795 /nfs/dbraw/zinc/90/67/95/653906795.db2.gz BKDQKYYYHDKLRD-LLVKDONJSA-N -1 1 388.287 2.446 20 0 GEADMM 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O=C([O-])[C@@H]1CCCN(CC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000911562902 654726455 /nfs/dbraw/zinc/72/64/55/654726455.db2.gz VKIMFRDVDAOCHD-DOMZBBRYSA-N -1 1 389.279 2.330 20 0 GEADMM CSc1nc(CNC(=O)c2nn(C(C)C)cc2Br)cc(=O)[n-]1 ZINC000912240084 654747302 /nfs/dbraw/zinc/74/73/02/654747302.db2.gz CTIZOJGZCREKIA-UHFFFAOYSA-N -1 1 386.275 2.374 20 0 GEADMM CSCC[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1nn[n-]n1 ZINC000912859879 654771413 /nfs/dbraw/zinc/77/14/13/654771413.db2.gz HQWPOZIGYUDEHR-VIFPVBQESA-N -1 1 392.432 2.316 20 0 GEADMM CSCC[C@H](NC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)c1nn[n-]n1 ZINC000912861435 654771800 /nfs/dbraw/zinc/77/18/00/654771800.db2.gz LAOWDSSWCQGZRN-WCQYABFASA-N -1 1 386.884 2.206 20 0 GEADMM COc1cc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)sc1Br ZINC000912861079 654771868 /nfs/dbraw/zinc/77/18/68/654771868.db2.gz CEKMLQPUBFFCEE-LURJTMIESA-N -1 1 392.304 2.257 20 0 GEADMM COc1ccc(Br)cc1C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912861003 654771891 /nfs/dbraw/zinc/77/18/91/654771891.db2.gz ALSFKKIFKOBFDL-JTQLQIEISA-N -1 1 386.275 2.195 20 0 GEADMM O=C(Nc1nccc(Br)c1[O-])C1CCC(N2CCOCC2)CC1 ZINC000913026899 654779773 /nfs/dbraw/zinc/77/97/73/654779773.db2.gz BUXDOGFZWOUOOD-UHFFFAOYSA-N -1 1 384.274 2.379 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](O)CC(C)C)c1F ZINC000914150163 654830001 /nfs/dbraw/zinc/83/00/01/654830001.db2.gz LWAFJROIFMNFAS-VIFPVBQESA-N -1 1 384.267 2.282 20 0 GEADMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914193637 654834346 /nfs/dbraw/zinc/83/43/46/654834346.db2.gz HOSGLZDYRBSNLZ-SPSFWMDKSA-N -1 1 388.433 2.275 20 0 GEADMM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccsc1Br)C(F)(F)F ZINC000914305175 654843638 /nfs/dbraw/zinc/84/36/38/654843638.db2.gz UTKHWBAAOWEBKB-MRVPVSSYSA-N -1 1 382.223 2.243 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC2(C)OCCO2)c1F ZINC000914368433 654848978 /nfs/dbraw/zinc/84/89/78/654848978.db2.gz RLNJCFAQXPIERK-UHFFFAOYSA-N -1 1 398.250 2.028 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]C[C@H]1CC[C@H](O)C1 ZINC000914425355 654853614 /nfs/dbraw/zinc/85/36/14/654853614.db2.gz VITYIHLJKLAZGP-LYSPQLLHSA-N -1 1 386.417 2.029 20 0 GEADMM CC(F)(F)CCCS(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000915194179 654865245 /nfs/dbraw/zinc/86/52/45/654865245.db2.gz FAINFQOLYIHDCX-UHFFFAOYSA-N -1 1 380.379 2.142 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2snnc2C)c1F ZINC000915841958 654880222 /nfs/dbraw/zinc/88/02/22/654880222.db2.gz BQAXVZMOCATYJF-UHFFFAOYSA-N -1 1 396.263 2.235 20 0 GEADMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)N(C)c1ccccc1 ZINC000915876045 654881502 /nfs/dbraw/zinc/88/15/02/654881502.db2.gz IKTGLLMQUWOGBT-LLVKDONJSA-N -1 1 382.463 2.328 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(C)(C)O ZINC000915905167 654882088 /nfs/dbraw/zinc/88/20/88/654882088.db2.gz JXSVJRPRAPVJBH-SNVBAGLBSA-N -1 1 384.267 2.425 20 0 GEADMM CCN(C1CCN(C)CC1)S(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000916072726 654886876 /nfs/dbraw/zinc/88/68/76/654886876.db2.gz DVZXMWLUBQYAOP-UHFFFAOYSA-N -1 1 382.404 2.396 20 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/nfs/dbraw/zinc/60/45/17/531604517.db2.gz AHWBYEZIZRPOQN-SECBINFHSA-N -1 1 389.476 2.179 20 0 GEADMM C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000153940283 531615197 /nfs/dbraw/zinc/61/51/97/531615197.db2.gz IZPCZXSOTQBHPD-VHSXEESVSA-N -1 1 375.206 2.230 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(N)=O ZINC000032080972 531648113 /nfs/dbraw/zinc/64/81/13/531648113.db2.gz LLWLZMFQFOHZRP-UHFFFAOYSA-N -1 1 385.239 2.357 20 0 GEADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000032595960 531653353 /nfs/dbraw/zinc/65/33/53/531653353.db2.gz CMEDQKGBJVSZNH-UHFFFAOYSA-N -1 1 390.870 2.058 20 0 GEADMM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032588654 531654435 /nfs/dbraw/zinc/65/44/35/531654435.db2.gz YYNWGFRNJMDRNG-UHFFFAOYSA-N -1 1 394.272 2.360 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000032587567 531655127 /nfs/dbraw/zinc/65/51/27/531655127.db2.gz OTURLCITQAVYAZ-UHFFFAOYSA-N -1 1 384.479 2.055 20 0 GEADMM Cn1ncc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)c1C(F)(F)F ZINC000155334630 531677130 /nfs/dbraw/zinc/67/71/30/531677130.db2.gz SGHCXHGYZDUUDO-VWLOTQADSA-N -1 1 388.293 2.402 20 0 GEADMM COc1ccc(NC(=O)CSCc2cccnc2)cc1[N-]S(C)(=O)=O ZINC000048063534 531725990 /nfs/dbraw/zinc/72/59/90/531725990.db2.gz DKINUNNQIVFQNP-UHFFFAOYSA-N -1 1 381.479 2.334 20 0 GEADMM CC(C)n1cc(S(=O)(=O)[N-]c2cc(N3CCNC3=O)ccc2Cl)cn1 ZINC000157799212 531756386 /nfs/dbraw/zinc/75/63/86/531756386.db2.gz YXRWHVOYXVQLDR-UHFFFAOYSA-N -1 1 383.861 2.448 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000157868246 531757298 /nfs/dbraw/zinc/75/72/98/531757298.db2.gz KGSVJUXVBXYLSX-UHFFFAOYSA-N -1 1 394.396 2.240 20 0 GEADMM Cc1sc(=O)n(CC(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)c1C ZINC000055196353 531784118 /nfs/dbraw/zinc/78/41/18/531784118.db2.gz KDIUUYCQSSITAL-UHFFFAOYSA-N -1 1 396.523 2.004 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1Cl ZINC000055595760 531795075 /nfs/dbraw/zinc/79/50/75/531795075.db2.gz CFHQRCXRFSHGIO-UHFFFAOYSA-N -1 1 375.859 2.065 20 0 GEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000055596577 531795960 /nfs/dbraw/zinc/79/59/60/531795960.db2.gz IKRXFNOHFBKCKU-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2O1 ZINC000055593863 531796402 /nfs/dbraw/zinc/79/64/02/531796402.db2.gz NAEGAOVJTSEXGP-UHFFFAOYSA-N -1 1 383.447 2.398 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCOCC2)c1Cl ZINC000057010312 531817757 /nfs/dbraw/zinc/81/77/57/531817757.db2.gz REVVEMXSHNDQOQ-UHFFFAOYSA-N -1 1 387.864 2.239 20 0 GEADMM COC(=O)[C@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000170737954 531890804 /nfs/dbraw/zinc/89/08/04/531890804.db2.gz MWGOPVOSQVRCGB-VIFPVBQESA-N -1 1 389.189 2.022 20 0 GEADMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000068215971 531900699 /nfs/dbraw/zinc/90/06/99/531900699.db2.gz OVVPKMFEPFSTJG-UHFFFAOYSA-N -1 1 395.234 2.442 20 0 GEADMM CC(=O)N[C@H](CC(=O)NCCc1n[n-]c(=S)n1C)c1ccc(Cl)cc1 ZINC000097550883 531937467 /nfs/dbraw/zinc/93/74/67/531937467.db2.gz DPYOKTMZWOQNBR-CYBMUJFWSA-N -1 1 381.889 2.057 20 0 GEADMM O=C(N1CCC(C[N-]S(=O)(=O)c2cccc(F)c2F)CC1)C(F)(F)F ZINC000173516805 532016784 /nfs/dbraw/zinc/01/67/84/532016784.db2.gz QEBHXTQBMNDZLE-UHFFFAOYSA-N -1 1 386.342 2.044 20 0 GEADMM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccccc3)ns2)co1 ZINC000122087630 532056582 /nfs/dbraw/zinc/05/65/82/532056582.db2.gz ZKDMNWSBNRLUOX-UHFFFAOYSA-N -1 1 378.435 2.301 20 0 GEADMM C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])N1CCN(C)CC1 ZINC000174340286 532061236 /nfs/dbraw/zinc/06/12/36/532061236.db2.gz WZOSDLQDWLSSQD-SNVBAGLBSA-N -1 1 390.709 2.174 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cccc1C(F)(F)F ZINC000122195586 532061331 /nfs/dbraw/zinc/06/13/31/532061331.db2.gz OEZNKVSVRCWMDH-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1nnc[nH]1 ZINC000174565060 532070036 /nfs/dbraw/zinc/07/00/36/532070036.db2.gz BJMKSPIBTVDUNS-SNVBAGLBSA-N -1 1 377.451 2.158 20 0 GEADMM Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000124559957 532124484 /nfs/dbraw/zinc/12/44/84/532124484.db2.gz DENGDEMDEIXARY-OAHLLOKOSA-N -1 1 394.269 2.474 20 0 GEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000176431666 532137219 /nfs/dbraw/zinc/13/72/19/532137219.db2.gz SRKGUSOWHSYSTK-UHFFFAOYSA-N -1 1 380.491 2.491 20 0 GEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)c1 ZINC000176681659 532145956 /nfs/dbraw/zinc/14/59/56/532145956.db2.gz YWZTUCDQSWUBEV-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000176702981 532146618 /nfs/dbraw/zinc/14/66/18/532146618.db2.gz FIOMSEZOGJCTFS-UHFFFAOYSA-N -1 1 399.266 2.489 20 0 GEADMM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000176727185 532147510 /nfs/dbraw/zinc/14/75/10/532147510.db2.gz UDOHGBUVNAUNGW-UHFFFAOYSA-N -1 1 382.797 2.066 20 0 GEADMM C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176760908 532148438 /nfs/dbraw/zinc/14/84/38/532148438.db2.gz ZNEWQWPQBMTPRO-SECBINFHSA-N -1 1 385.287 2.090 20 0 GEADMM O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129415204 532177048 /nfs/dbraw/zinc/17/70/48/532177048.db2.gz GJHJEGHZKUZWFP-IACUBPJLSA-N -1 1 376.258 2.472 20 0 GEADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000130698131 532193762 /nfs/dbraw/zinc/19/37/62/532193762.db2.gz BHJDPNHQQYBDTK-MRVPVSSYSA-N -1 1 376.360 2.044 20 0 GEADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000130698131 532193763 /nfs/dbraw/zinc/19/37/63/532193763.db2.gz BHJDPNHQQYBDTK-MRVPVSSYSA-N -1 1 376.360 2.044 20 0 GEADMM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000179303350 532228143 /nfs/dbraw/zinc/22/81/43/532228143.db2.gz FXEJIEFKMZNRFK-LURJTMIESA-N -1 1 380.702 2.358 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000133345073 532232479 /nfs/dbraw/zinc/23/24/79/532232479.db2.gz WGEWIRASZDLBNE-UHFFFAOYSA-N -1 1 385.917 2.412 20 0 GEADMM CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(I)ccc1[O-] ZINC000179099495 532222151 /nfs/dbraw/zinc/22/21/51/532222151.db2.gz GNNWLBGUUBVOGR-BXKDBHETSA-N -1 1 375.206 2.230 20 0 GEADMM COc1ccc(CNC(=O)CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000179147387 532223322 /nfs/dbraw/zinc/22/33/22/532223322.db2.gz XZJRSPHIPKZQHI-UHFFFAOYSA-N -1 1 393.237 2.210 20 0 GEADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1F ZINC000135327446 532271201 /nfs/dbraw/zinc/27/12/01/532271201.db2.gz BANSYKISVZCSTP-UHFFFAOYSA-N -1 1 380.369 2.276 20 0 GEADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CC(N)=O)cc3)cc(Cl)c2O1 ZINC000134450154 532255744 /nfs/dbraw/zinc/25/57/44/532255744.db2.gz HSUZAUBNJUEFLZ-SNVBAGLBSA-N -1 1 380.853 2.492 20 0 GEADMM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000180091300 532257196 /nfs/dbraw/zinc/25/71/96/532257196.db2.gz QFYHWAQJTWYHKF-UHFFFAOYSA-N -1 1 375.418 2.237 20 0 GEADMM Cn1cnn(-c2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2)c1=O ZINC000180586829 532275324 /nfs/dbraw/zinc/27/53/24/532275324.db2.gz JVZMOYKNHFDUFB-UHFFFAOYSA-N -1 1 389.209 2.291 20 0 GEADMM CCC[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)c1nn[n-]n1 ZINC000136740399 532286295 /nfs/dbraw/zinc/28/62/95/532286295.db2.gz LMXFLVMUIRGDEC-NSHDSACASA-N -1 1 391.229 2.075 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000136880639 532287779 /nfs/dbraw/zinc/28/77/79/532287779.db2.gz WTQSUGPCOHSHHF-CYBMUJFWSA-N -1 1 399.310 2.335 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000181027313 532289251 /nfs/dbraw/zinc/28/92/51/532289251.db2.gz YORSAPAMRBUTFA-UHFFFAOYSA-N -1 1 378.303 2.450 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Cl ZINC000148508087 532299576 /nfs/dbraw/zinc/29/95/76/532299576.db2.gz RYFJOXKVMAYXEO-UHFFFAOYSA-N -1 1 380.813 2.269 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCC(c2ccnn2CCO)CC1 ZINC000181931841 532307933 /nfs/dbraw/zinc/30/79/33/532307933.db2.gz BBIPRDWGWGLIOD-UHFFFAOYSA-N -1 1 394.269 2.363 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccco1 ZINC000183029382 532320953 /nfs/dbraw/zinc/32/09/53/532320953.db2.gz HDRMAXIKBWLZLG-NSHDSACASA-N -1 1 380.344 2.282 20 0 GEADMM CC(C)COC[C@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1ccco1 ZINC000186831700 532342266 /nfs/dbraw/zinc/34/22/66/532342266.db2.gz VSXDBPHTZKEJGM-ZDUSSCGKSA-N -1 1 377.413 2.433 20 0 GEADMM O=S(=O)([N-]c1ccccc1F)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000186904267 532342534 /nfs/dbraw/zinc/34/25/34/532342534.db2.gz IDHRBFQFTWRWTM-UHFFFAOYSA-N -1 1 384.454 2.411 20 0 GEADMM COc1ccc(-c2csc3[n-]c(CS(=O)(=O)N(C)C)nc(=O)c23)cc1 ZINC000190411457 532355826 /nfs/dbraw/zinc/35/58/26/532355826.db2.gz VQVURTRBDIZTQO-UHFFFAOYSA-N -1 1 379.463 2.052 20 0 GEADMM C[S@@](=O)CCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190745143 532357709 /nfs/dbraw/zinc/35/77/09/532357709.db2.gz HOGZZFSATFOIIY-GOSISDBHSA-N -1 1 392.699 2.289 20 0 GEADMM C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190881661 532358576 /nfs/dbraw/zinc/35/85/76/532358576.db2.gz HBWNXRUVBFJOMZ-DMWPKQFHSA-N -1 1 392.699 2.287 20 0 GEADMM O=S(=O)([N-]CCOCC(F)F)c1cc(Br)cnc1Cl ZINC000190957394 532358919 /nfs/dbraw/zinc/35/89/19/532358919.db2.gz PLEIMGNWUNUNPJ-UHFFFAOYSA-N -1 1 379.610 2.058 20 0 GEADMM O=C([O-])[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000463431857 532372577 /nfs/dbraw/zinc/37/25/77/532372577.db2.gz DCTYNPQXEWIEIY-MRVPVSSYSA-N -1 1 399.188 2.104 20 0 GEADMM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000590588693 532377198 /nfs/dbraw/zinc/37/71/98/532377198.db2.gz INFHXNJATLIBOQ-CYBMUJFWSA-N -1 1 389.260 2.451 20 0 GEADMM O=S(=O)(Cc1noc(-c2c(F)cccc2Cl)n1)c1n[n-]c(C2CC2)n1 ZINC000647604336 532377966 /nfs/dbraw/zinc/37/79/66/532377966.db2.gz HOOFGRKUXBSTHR-UHFFFAOYSA-N -1 1 383.792 2.499 20 0 GEADMM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000590587918 532378197 /nfs/dbraw/zinc/37/81/97/532378197.db2.gz CFJRLBQHIHNJIR-OAHLLOKOSA-N -1 1 386.832 2.078 20 0 GEADMM CO[C@@H]1CCN(Cc2cc3c(cc2Br)OCCO3)[C@H](C(=O)[O-])C1 ZINC000515433828 532364370 /nfs/dbraw/zinc/36/43/70/532364370.db2.gz AMIMQHRMNDAGLC-YPMHNXCESA-N -1 1 386.242 2.284 20 0 GEADMM C[C@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000372070787 532370349 /nfs/dbraw/zinc/37/03/49/532370349.db2.gz FDEXMWDSVOIAGJ-MFKMUULPSA-N -1 1 380.246 2.056 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)COC1CCCC1)c1ccsc1 ZINC000559070523 532400991 /nfs/dbraw/zinc/40/09/91/532400991.db2.gz BMGYLAJOBULLSJ-DOMZBBRYSA-N -1 1 375.512 2.477 20 0 GEADMM COc1c(Br)ccc(F)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000648837884 532404002 /nfs/dbraw/zinc/40/40/02/532404002.db2.gz IWNGKJDQRITAJN-QMMMGPOBSA-N -1 1 384.209 2.130 20 0 GEADMM CC(C)(C)c1nc(S(=O)(=O)Cc2ccc(Cl)cc2-n2cncn2)n[n-]1 ZINC000280055534 532406631 /nfs/dbraw/zinc/40/66/31/532406631.db2.gz SGWCPVZPEYDKNI-UHFFFAOYSA-N -1 1 380.861 2.310 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(S(N)(=O)=O)c3)cc2s1 ZINC000427122523 532412190 /nfs/dbraw/zinc/41/21/90/532412190.db2.gz RPDIOBZWVBGLHX-UHFFFAOYSA-N -1 1 397.503 2.361 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)c1ccc(F)cc1 ZINC000625122016 532410867 /nfs/dbraw/zinc/41/08/67/532410867.db2.gz OYZXITQKYQWFBG-JTQLQIEISA-N -1 1 383.323 2.035 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(S(N)(=O)=O)c3)cc2s1 ZINC000427128159 532413257 /nfs/dbraw/zinc/41/32/57/532413257.db2.gz YZRMKHSRFGBPPF-UHFFFAOYSA-N -1 1 383.476 2.053 20 0 GEADMM Cc1noc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 ZINC000192986590 532415469 /nfs/dbraw/zinc/41/54/69/532415469.db2.gz FPZKISYKUGMNDL-UHFFFAOYSA-N -1 1 384.845 2.458 20 0 GEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cnn(C)c2C)c1Br ZINC000427290170 532420626 /nfs/dbraw/zinc/42/06/26/532420626.db2.gz UFOWCGLBNKTATK-UHFFFAOYSA-N -1 1 388.243 2.078 20 0 GEADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H](O)C(F)(F)F ZINC000591785498 532423239 /nfs/dbraw/zinc/42/32/39/532423239.db2.gz NIYFJNQKTVJOLM-SSDLBLMSSA-N -1 1 389.111 2.038 20 0 GEADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C12CCOCC2 ZINC000681157100 532422054 /nfs/dbraw/zinc/42/20/54/532422054.db2.gz RKRVHYWYNNHUMC-WDEREUQCSA-N -1 1 394.287 2.295 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3CC3)c2)ccc1F ZINC000591795499 532424270 /nfs/dbraw/zinc/42/42/70/532424270.db2.gz PHZVFYBXCNYZTI-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM COC(=O)c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000281601510 532426802 /nfs/dbraw/zinc/42/68/02/532426802.db2.gz DGMZIAUJYYPCJA-UHFFFAOYSA-N -1 1 378.372 2.065 20 0 GEADMM COC(=O)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000517927354 532429891 /nfs/dbraw/zinc/42/98/91/532429891.db2.gz XXJVMZIUIAILFH-UHFFFAOYSA-N -1 1 385.419 2.107 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c(Cl)c1 ZINC000561374571 532436617 /nfs/dbraw/zinc/43/66/17/532436617.db2.gz BNLIEIQMRPMOPY-UHFFFAOYSA-N -1 1 384.841 2.404 20 0 GEADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cnc(OC)c(Cl)c2)s1 ZINC000592055079 532437822 /nfs/dbraw/zinc/43/78/22/532437822.db2.gz HUPZPVHBTXXLHG-SSDOTTSWSA-N -1 1 391.858 2.026 20 0 GEADMM Cc1cc(C(C)(C)NC(=O)c2cc(=O)n3[n-]cnc3n2)ccc1Br ZINC000428124508 532444748 /nfs/dbraw/zinc/44/47/48/532444748.db2.gz KBJGKHHYNBTBRT-UHFFFAOYSA-N -1 1 390.241 2.154 20 0 GEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)Cc1cccc(Br)c1 ZINC000561540141 532445309 /nfs/dbraw/zinc/44/53/09/532445309.db2.gz AYLSWWICXTUGAZ-SNVBAGLBSA-N -1 1 386.214 2.065 20 0 GEADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1ncccc1C(F)(F)F)C(F)(F)F ZINC000650419733 532445294 /nfs/dbraw/zinc/44/52/94/532445294.db2.gz PIYMGZBHPCIRFF-LURJTMIESA-N -1 1 380.266 2.032 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000518482970 532441811 /nfs/dbraw/zinc/44/18/11/532441811.db2.gz ADQZPWHOUCGQDQ-UHFFFAOYSA-N -1 1 392.786 2.466 20 0 GEADMM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000592378368 532452030 /nfs/dbraw/zinc/45/20/30/532452030.db2.gz UKQXNJMAVMWKAI-APPZFPTMSA-N -1 1 399.188 2.151 20 0 GEADMM Cc1oncc1C(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000194432738 532449380 /nfs/dbraw/zinc/44/93/80/532449380.db2.gz GPBYWOWAYWOGKU-UHFFFAOYSA-N -1 1 381.801 2.413 20 0 GEADMM COC[C@@]1(C)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000295540872 532457406 /nfs/dbraw/zinc/45/74/06/532457406.db2.gz SDTYHACJCSNKTE-HNNXBMFYSA-N -1 1 395.308 2.157 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(S(C)(=O)=O)c(Cl)c2)sc1C ZINC000428420298 532452987 /nfs/dbraw/zinc/45/29/87/532452987.db2.gz IBVGOQKIYCUULN-UHFFFAOYSA-N -1 1 394.927 2.295 20 0 GEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000194599520 532454307 /nfs/dbraw/zinc/45/43/07/532454307.db2.gz VIMBVINTTWURCN-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CC(=O)N(CCC(F)(F)F)C1 ZINC000295700150 532469947 /nfs/dbraw/zinc/46/99/47/532469947.db2.gz GONCMSUBXHYHSR-UHFFFAOYSA-N -1 1 381.148 2.349 20 0 GEADMM O=c1[n-]c(C2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)n[nH]1 ZINC000373835029 532473226 /nfs/dbraw/zinc/47/32/26/532473226.db2.gz IRIYOXFBUFQIOR-UHFFFAOYSA-N -1 1 395.257 2.424 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000468847461 532478009 /nfs/dbraw/zinc/47/80/09/532478009.db2.gz GITQLOCEYDEDNO-OAHLLOKOSA-N -1 1 383.447 2.102 20 0 GEADMM CS(=O)(=O)CC1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000295839042 532479919 /nfs/dbraw/zinc/47/99/19/532479919.db2.gz RGJIMXXJAYHPNT-UHFFFAOYSA-N -1 1 390.299 2.488 20 0 GEADMM CC(C)(C)NC(=O)CCNC(=O)c1cc(I)ccc1[O-] ZINC000219594737 532483188 /nfs/dbraw/zinc/48/31/88/532483188.db2.gz WPQXULWVKMBHKC-UHFFFAOYSA-N -1 1 390.221 2.031 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)cc1F ZINC000468982336 532483942 /nfs/dbraw/zinc/48/39/42/532483942.db2.gz OQUBIMJNVBUYNW-UHFFFAOYSA-N -1 1 391.417 2.319 20 0 GEADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000520140987 532485343 /nfs/dbraw/zinc/48/53/43/532485343.db2.gz IVVBZAWECQJMCE-UHFFFAOYSA-N -1 1 394.396 2.295 20 0 GEADMM CO[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[C@H]1C ZINC000221252402 532485292 /nfs/dbraw/zinc/48/52/92/532485292.db2.gz RXTDRXALFZRFCL-RNCFNFMXSA-N -1 1 375.206 2.494 20 0 GEADMM Cc1ccc(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000282708367 532489861 /nfs/dbraw/zinc/48/98/61/532489861.db2.gz SRTQNIQVJAZVSJ-UHFFFAOYSA-N -1 1 378.416 2.383 20 0 GEADMM O=S(=O)(NCC[NH2+]Cc1nc2c(s1)CCC2)c1ccc(Cl)cc1F ZINC000685042597 532490769 /nfs/dbraw/zinc/49/07/69/532490769.db2.gz GVMOUDBFPXQDTL-UHFFFAOYSA-N -1 1 389.905 2.492 20 0 GEADMM Cc1cnc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)c([O-])c1 ZINC000430156885 532492128 /nfs/dbraw/zinc/49/21/28/532492128.db2.gz OSHZLAPHTOBAPK-CYBMUJFWSA-N -1 1 379.254 2.439 20 0 GEADMM CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)s1 ZINC000468762664 532474574 /nfs/dbraw/zinc/47/45/74/532474574.db2.gz ANUDJTRYZOVQRV-UHFFFAOYSA-N -1 1 385.410 2.047 20 0 GEADMM COc1cccc(C(=O)NCCNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000195294154 532474761 /nfs/dbraw/zinc/47/47/61/532474761.db2.gz QKSYXNIHZULPGO-UHFFFAOYSA-N -1 1 393.237 2.323 20 0 GEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1C ZINC000520640813 532496662 /nfs/dbraw/zinc/49/66/62/532496662.db2.gz NITFPSKCBPAMDI-DEOSSOPVSA-N -1 1 381.475 2.461 20 0 GEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000430977348 532502590 /nfs/dbraw/zinc/50/25/90/532502590.db2.gz KOJYMFVHYTUAHF-GYCJOSAFSA-N -1 1 381.475 2.123 20 0 GEADMM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000430977347 532503202 /nfs/dbraw/zinc/50/32/02/532503202.db2.gz KOJYMFVHYTUAHF-FYSMJZIKSA-N -1 1 381.475 2.123 20 0 GEADMM O=S(=O)([N-]c1cc(O)c(Br)cc1Br)c1c[nH]cn1 ZINC000430975228 532503785 /nfs/dbraw/zinc/50/37/85/532503785.db2.gz KANPEGGOWHYLLP-UHFFFAOYSA-N -1 1 397.048 2.441 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCOC2)c1F ZINC000594457580 532506339 /nfs/dbraw/zinc/50/63/39/532506339.db2.gz MFLTYAAGDDOPFE-UWVGGRQHSA-N -1 1 379.837 2.359 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCC(=O)OC(C)(C)C)c1F ZINC000594453861 532506906 /nfs/dbraw/zinc/50/69/06/532506906.db2.gz UMEWPVRDKHHVLW-UHFFFAOYSA-N -1 1 395.836 2.276 20 0 GEADMM COC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1Cl ZINC000431180391 532507514 /nfs/dbraw/zinc/50/75/14/532507514.db2.gz JMFZFIJAMNHVEV-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM CCCCS(=O)(=O)NCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000563627116 532508123 /nfs/dbraw/zinc/50/81/23/532508123.db2.gz VBGXMEMFWLPPDF-UHFFFAOYSA-N -1 1 399.694 2.466 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCCOC(F)F)c1F ZINC000594462698 532508406 /nfs/dbraw/zinc/50/84/06/532508406.db2.gz PCAMWCQRPBKRSX-UHFFFAOYSA-N -1 1 375.752 2.173 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000282949782 532509043 /nfs/dbraw/zinc/50/90/43/532509043.db2.gz BWADKKWSRHUBML-LLVKDONJSA-N -1 1 398.282 2.438 20 0 GEADMM O=C(CSc1cccc(Br)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282964023 532509571 /nfs/dbraw/zinc/50/95/71/532509571.db2.gz RNXKJTNIHFUYIY-JTQLQIEISA-N -1 1 397.298 2.359 20 0 GEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000630224235 532510227 /nfs/dbraw/zinc/51/02/27/532510227.db2.gz PLHZJTZIYOIVNM-UHFFFAOYSA-N -1 1 395.297 2.488 20 0 GEADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@H](c2ccc(C)o2)C(F)(F)F)c1 ZINC000594481852 532510669 /nfs/dbraw/zinc/51/06/69/532510669.db2.gz XKBMAVMHGCCQSS-GFCCVEGCSA-N -1 1 378.328 2.352 20 0 GEADMM O=C(NCCN1CCN(Cc2ccccc2)CC1)c1s[n-]c(=O)c1Cl ZINC000282998925 532512747 /nfs/dbraw/zinc/51/27/47/532512747.db2.gz OONUJYFJLOYBDP-UHFFFAOYSA-N -1 1 380.901 2.050 20 0 GEADMM O=C(CCc1ccccc1Br)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283031667 532514316 /nfs/dbraw/zinc/51/43/16/532514316.db2.gz YMWXUCKRHCSHLO-GFCCVEGCSA-N -1 1 379.258 2.199 20 0 GEADMM CN(C)S(=O)(=O)[C@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000564099828 532517787 /nfs/dbraw/zinc/51/77/87/532517787.db2.gz BRYCSOLTXIBPMB-LBPRGKRZSA-N -1 1 382.507 2.455 20 0 GEADMM CCCc1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000520819863 532500435 /nfs/dbraw/zinc/50/04/35/532500435.db2.gz OXMNJPIPCYOYCX-HOCLYGCPSA-N -1 1 386.901 2.214 20 0 GEADMM O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282836752 532500544 /nfs/dbraw/zinc/50/05/44/532500544.db2.gz DZPJOEKKFBCTDP-VIFPVBQESA-N -1 1 390.241 2.362 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000594866101 532538302 /nfs/dbraw/zinc/53/83/02/532538302.db2.gz YYAPIWRBKLJTOY-NEPJUHHUSA-N -1 1 394.276 2.362 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC000296743589 532538798 /nfs/dbraw/zinc/53/87/98/532538798.db2.gz PAUDCOTUWGCYCM-UHFFFAOYSA-N -1 1 384.479 2.183 20 0 GEADMM CC(C)(C)[C@H](CCO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000565021338 532543193 /nfs/dbraw/zinc/54/31/93/532543193.db2.gz VENOUPABONXKKG-LBPRGKRZSA-N -1 1 397.324 2.185 20 0 GEADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@H]1C ZINC000470085362 532520259 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CCN(C(=O)c1[nH]nc2ccc(I)cc21)[C@@H](C)C(=O)[O-] ZINC000595278733 532551819 /nfs/dbraw/zinc/55/18/19/532551819.db2.gz CVQXMMPOUYYZSA-ZETCQYMHSA-N -1 1 387.177 2.103 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)cc1C ZINC000595300097 532552805 /nfs/dbraw/zinc/55/28/05/532552805.db2.gz MNQVHBBNHHCKFA-UHFFFAOYSA-N -1 1 375.349 2.455 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C)cc1C ZINC000595309589 532555209 /nfs/dbraw/zinc/55/52/09/532555209.db2.gz ADZMXNLZMIQJSI-LBPRGKRZSA-N -1 1 375.443 2.019 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)[C@H]2OCCc3sccc32)cc1C ZINC000595329848 532556329 /nfs/dbraw/zinc/55/63/29/532556329.db2.gz CSRNMQHTRHIKFZ-MEBBXXQBSA-N -1 1 385.463 2.417 20 0 GEADMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1 ZINC000471975349 532562638 /nfs/dbraw/zinc/56/26/38/532562638.db2.gz FFRHNDIEICTDKH-DEOSSOPVSA-N -1 1 385.438 2.459 20 0 GEADMM CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000565434903 532563807 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GEADMM COc1cc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)c(Cl)c(OC)c1 ZINC000656630828 532628306 /nfs/dbraw/zinc/62/83/06/532628306.db2.gz CWYBDBLLQOGXBD-IINYFYTJSA-N -1 1 379.862 2.150 20 0 GEADMM CO[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC[C@@H]1C ZINC000567005182 532635315 /nfs/dbraw/zinc/63/53/15/532635315.db2.gz QITGPTHGYXEIQQ-GXFFZTMASA-N -1 1 395.308 2.155 20 0 GEADMM COCCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436553216 532636754 /nfs/dbraw/zinc/63/67/54/532636754.db2.gz ZIAHZDQIRFQXKR-UHFFFAOYSA-N -1 1 399.285 2.160 20 0 GEADMM CC(C)OC(=O)CCNC(=O)c1cc(I)ccc1[O-] ZINC000436509959 532636807 /nfs/dbraw/zinc/63/68/07/532636807.db2.gz CJGCJDKSFMWAIQ-UHFFFAOYSA-N -1 1 377.178 2.068 20 0 GEADMM CC(C)C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)Nc1cc[nH]n1 ZINC000436568861 532639597 /nfs/dbraw/zinc/63/95/97/532639597.db2.gz WUYAAJVHBRHADS-GFCCVEGCSA-N -1 1 395.257 2.661 20 0 GEADMM CCOC(=O)C(=C([O-])CSc1nnnn1C(C)(C)C)c1nc(C)cs1 ZINC000298306004 532640597 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O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)cc2c1OCCO2 ZINC000607102034 532704562 /nfs/dbraw/zinc/70/45/62/532704562.db2.gz MHRUSUANBQQGFW-UHFFFAOYSA-N -1 1 385.781 2.316 20 0 GEADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000390696407 532706334 /nfs/dbraw/zinc/70/63/34/532706334.db2.gz RRVIARNDMUUXPO-SECBINFHSA-N -1 1 399.266 2.293 20 0 GEADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000390696409 532707393 /nfs/dbraw/zinc/70/73/93/532707393.db2.gz RRVIARNDMUUXPO-VIFPVBQESA-N -1 1 399.266 2.293 20 0 GEADMM Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1Cl ZINC000392211886 532709040 /nfs/dbraw/zinc/70/90/40/532709040.db2.gz OMYKDZITBZNVAL-UHFFFAOYSA-N -1 1 395.308 2.391 20 0 GEADMM O=C(CCC(=O)N1CCOCC1)Nc1c([O-])cc(Br)cc1Cl ZINC000574599171 532715336 /nfs/dbraw/zinc/71/53/36/532715336.db2.gz GLFJWJVPLUBUKF-UHFFFAOYSA-N -1 1 391.649 2.386 20 0 GEADMM Cc1csc([C@@](O)(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C(F)(F)F)n1 ZINC000299408282 532715598 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CC1(C)CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000442769873 532735199 /nfs/dbraw/zinc/73/51/99/532735199.db2.gz OMRHOXSMLYBROX-LBPRGKRZSA-N -1 1 378.491 2.444 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000540051020 532735357 /nfs/dbraw/zinc/73/53/57/532735357.db2.gz OPULVTWRFNZGSV-UHFFFAOYSA-N -1 1 377.809 2.494 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1c(Cl)cccc1Cl ZINC000443010895 532739077 /nfs/dbraw/zinc/73/90/77/532739077.db2.gz FUNOFBGTAQOXNK-UHFFFAOYSA-N -1 1 392.264 2.414 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1cc(Cl)cc(Cl)c1 ZINC000443023840 532740263 /nfs/dbraw/zinc/74/02/63/532740263.db2.gz JZNRTTADBMYPHZ-UHFFFAOYSA-N -1 1 392.264 2.414 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)C[C@@H](C)OC)c1ccc(Cl)c(Cl)c1 ZINC000443210740 532741538 /nfs/dbraw/zinc/74/15/38/532741538.db2.gz BTXPZGULZBTJBS-YMTOWFKASA-N -1 1 384.281 2.336 20 0 GEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)c(Br)c1 ZINC000507702158 532757824 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CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000289562567 532859032 /nfs/dbraw/zinc/85/90/32/532859032.db2.gz PRTUAEREHHZAOM-SECBINFHSA-N -1 1 375.397 2.014 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)sc1C ZINC000289631467 532861261 /nfs/dbraw/zinc/86/12/61/532861261.db2.gz RZOXWJHQNWSEML-LLVKDONJSA-N -1 1 384.445 2.444 20 0 GEADMM Cc1nc(CCCNS(=O)(=O)c2c(F)cc(F)cc2F)sc1C(=O)[O-] ZINC000275159963 532866862 /nfs/dbraw/zinc/86/68/62/532866862.db2.gz AIQUKQQQVFOZBM-UHFFFAOYSA-N -1 1 394.396 2.478 20 0 GEADMM O=C(NC1CCS(=O)(=O)CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000289980506 532869539 /nfs/dbraw/zinc/86/95/39/532869539.db2.gz RRGNNGLYIKWKMB-UHFFFAOYSA-N -1 1 399.266 2.010 20 0 GEADMM CCOC[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000290248685 532876203 /nfs/dbraw/zinc/87/62/03/532876203.db2.gz BEQBHHZONFBUKA-LLVKDONJSA-N -1 1 395.308 2.157 20 0 GEADMM O=C(Nc1ccsc1Cl)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290367285 532879057 /nfs/dbraw/zinc/87/90/57/532879057.db2.gz PPUIZVCFUFLJOJ-MRVPVSSYSA-N -1 1 397.806 2.257 20 0 GEADMM C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CCO1 ZINC000275600248 532879613 /nfs/dbraw/zinc/87/96/13/532879613.db2.gz HYIXHQWPFOTKEW-JBQRSBCVSA-N -1 1 387.263 2.250 20 0 GEADMM CC(C)c1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@@H]1C ZINC000349477181 532881662 /nfs/dbraw/zinc/88/16/62/532881662.db2.gz IIIBLYYSSMIJFY-KGLIPLIRSA-N -1 1 389.543 2.007 20 0 GEADMM CN(CC(C)(C)C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349520358 532882167 /nfs/dbraw/zinc/88/21/67/532882167.db2.gz RCXJZSSMGYRBJF-UHFFFAOYSA-N -1 1 397.950 2.175 20 0 GEADMM C[C@@H]1CC(C)(C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349597710 532883472 /nfs/dbraw/zinc/88/34/72/532883472.db2.gz FHWRWNGFEKCUIL-CQSZACIVSA-N -1 1 389.543 2.054 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)C)C(F)F ZINC000349475923 532881468 /nfs/dbraw/zinc/88/14/68/532881468.db2.gz YSEFZLOPQTUCDW-NSHDSACASA-N -1 1 384.470 2.038 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2ccc(Cl)nc2)C1)C(F)(F)F ZINC000290666324 532886433 /nfs/dbraw/zinc/88/64/33/532886433.db2.gz KBRUNPKDVSUBFH-NSHDSACASA-N -1 1 378.782 2.335 20 0 GEADMM COc1cc(-c2noc(C[C@H]3CCC(=O)NC3)n2)cc(Br)c1[O-] ZINC000351104216 532887538 /nfs/dbraw/zinc/88/75/38/532887538.db2.gz LPUSEGHNYAQMPI-MRVPVSSYSA-N -1 1 382.214 2.282 20 0 GEADMM CC[C@@H]1[C@H](C)CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349613249 532884097 /nfs/dbraw/zinc/88/40/97/532884097.db2.gz WFEVYDYODKEWFJ-HUUCEWRRSA-N -1 1 389.543 2.054 20 0 GEADMM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349609004 532884107 /nfs/dbraw/zinc/88/41/07/532884107.db2.gz HMHDEYDRAWROPC-HUUCEWRRSA-N -1 1 389.543 2.054 20 0 GEADMM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000276272696 532892370 /nfs/dbraw/zinc/89/23/70/532892370.db2.gz VFMOYSQCCYCIPX-UHFFFAOYSA-N -1 1 398.275 2.048 20 0 GEADMM C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291054965 532895996 /nfs/dbraw/zinc/89/59/96/532895996.db2.gz HKARCPNFBNOCAG-NEPJUHHUSA-N -1 1 375.416 2.479 20 0 GEADMM O=C(CSc1n[nH]c(=S)s1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363170254 532897330 /nfs/dbraw/zinc/89/73/30/532897330.db2.gz FGKXHYQGASGSOT-ZDUSSCGKSA-N -1 1 395.579 2.342 20 0 GEADMM C[C@H](O)C[C@H]1COCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291641207 532905903 /nfs/dbraw/zinc/90/59/03/532905903.db2.gz IUBGZBNSAQYLPW-QWRGUYRKSA-N -1 1 395.253 2.315 20 0 GEADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCNC1=O ZINC000291698877 532907342 /nfs/dbraw/zinc/90/73/42/532907342.db2.gz OTYFOPBUVUPUAE-NSHDSACASA-N -1 1 378.226 2.054 20 0 GEADMM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCNC1=O ZINC000291698874 532907371 /nfs/dbraw/zinc/90/73/71/532907371.db2.gz OTYFOPBUVUPUAE-LLVKDONJSA-N -1 1 378.226 2.054 20 0 GEADMM Cc1nnc([C@H](C)NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000292402848 532915955 /nfs/dbraw/zinc/91/59/55/532915955.db2.gz NADVNPZGIJFLCR-WPRPVWTQSA-N -1 1 379.408 2.008 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c(C)o1 ZINC000292693581 532917510 /nfs/dbraw/zinc/91/75/10/532917510.db2.gz CSUDRVMOKZQHMA-SECBINFHSA-N -1 1 384.357 2.413 20 0 GEADMM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000292691555 532917654 /nfs/dbraw/zinc/91/76/54/532917654.db2.gz ANSOJACSPIYZGZ-LLVKDONJSA-N -1 1 377.388 2.493 20 0 GEADMM C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366656334 532919995 /nfs/dbraw/zinc/91/99/95/532919995.db2.gz PTVRKCZMAHMGCX-MNOVXSKESA-N -1 1 380.246 2.136 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cnc1C ZINC000292940461 532920180 /nfs/dbraw/zinc/92/01/80/532920180.db2.gz ZWTVHTDPUIEEEB-JTQLQIEISA-N -1 1 395.384 2.215 20 0 GEADMM Cc1ccc(I)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000366730950 532920878 /nfs/dbraw/zinc/92/08/78/532920878.db2.gz IIIDPRXSJZPNLE-SNVBAGLBSA-N -1 1 397.220 2.133 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000293030181 532921291 /nfs/dbraw/zinc/92/12/91/532921291.db2.gz IWUZIQHVDALLDY-UFBFGSQYSA-N -1 1 395.428 2.481 20 0 GEADMM Cc1cscc1NC(=O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000293261950 532924373 /nfs/dbraw/zinc/92/43/73/532924373.db2.gz PXSKKKDSVUPUPX-NXEZZACHSA-N -1 1 377.388 2.053 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)Oc1ccccc1F ZINC000293419835 532926519 /nfs/dbraw/zinc/92/65/19/532926519.db2.gz IPUIICHMJGEOSG-SECBINFHSA-N -1 1 381.351 2.324 20 0 GEADMM COc1ccc(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1F ZINC000293480107 532927497 /nfs/dbraw/zinc/92/74/97/532927497.db2.gz MHUHVJJMMRETRC-UHFFFAOYSA-N -1 1 381.351 2.108 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c(Br)n1C ZINC000368618051 532933585 /nfs/dbraw/zinc/93/35/85/532933585.db2.gz IRTRKVQLOPIZJK-UHFFFAOYSA-N -1 1 399.314 2.286 20 0 GEADMM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3c(F)cccc3Cl)C2)n(C)n1 ZINC000369359841 532938960 /nfs/dbraw/zinc/93/89/60/532938960.db2.gz ULOJMUSHYSPUOY-GFCCVEGCSA-N -1 1 386.880 2.468 20 0 GEADMM O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(Br)cc1[O-] ZINC000370600555 532944386 /nfs/dbraw/zinc/94/43/86/532944386.db2.gz YNOJQAJGNJYVKC-CYBMUJFWSA-N -1 1 390.237 2.194 20 0 GEADMM COC(=O)[C@H]1C[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736912170 598833401 /nfs/dbraw/zinc/83/34/01/598833401.db2.gz ZQGKIVCRHRJFOK-OLZOCXBDSA-N -1 1 383.433 2.021 20 0 GEADMM O=C(CCN1CCOC1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737845165 598834179 /nfs/dbraw/zinc/83/41/79/598834179.db2.gz XOAGKSOGEFQNKO-UHFFFAOYSA-N -1 1 398.448 2.054 20 0 GEADMM CC(=O)N1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735465301 598834853 /nfs/dbraw/zinc/83/48/53/598834853.db2.gz IAJAMTUIPLGLIQ-HNNXBMFYSA-N -1 1 396.476 2.222 20 0 GEADMM CC(C)(C)C(=O)NCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735587582 598846462 /nfs/dbraw/zinc/84/64/62/598846462.db2.gz WCBOBLCWCKBWQA-UHFFFAOYSA-N -1 1 398.492 2.374 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](C)Oc1ccccc1 ZINC000737200304 598864501 /nfs/dbraw/zinc/86/45/01/598864501.db2.gz LDTORUXAELWIKR-LBPRGKRZSA-N -1 1 396.451 2.100 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCC[C@H]1CO ZINC000738112270 598907490 /nfs/dbraw/zinc/90/74/90/598907490.db2.gz OCXJHOJGQFWBEP-AWEZNQCLSA-N -1 1 384.465 2.262 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000737301784 598930767 /nfs/dbraw/zinc/93/07/67/598930767.db2.gz UQPOTCJTOAPFEE-UHFFFAOYSA-N -1 1 395.347 2.297 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CSC(=O)N1 ZINC000737279256 598931050 /nfs/dbraw/zinc/93/10/50/598931050.db2.gz IFZKEJAOXMAVJP-ZDUSSCGKSA-N -1 1 397.420 2.126 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000737223639 598948878 /nfs/dbraw/zinc/94/88/78/598948878.db2.gz ASGZOBCIDIWUCZ-UHFFFAOYSA-N -1 1 398.448 2.251 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000737225753 598949358 /nfs/dbraw/zinc/94/93/58/598949358.db2.gz QXHRTCPRBSBKDZ-UHFFFAOYSA-N -1 1 383.393 2.026 20 0 GEADMM Cc1nc2nc(Sc3c4ccccc4nnc3-c3nn[n-]n3)nn2c(C)c1C ZINC000737489296 598959941 /nfs/dbraw/zinc/95/99/41/598959941.db2.gz HNFHKPQAVVKYKB-UHFFFAOYSA-N -1 1 390.436 2.324 20 0 GEADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000821657502 607254760 /nfs/dbraw/zinc/25/47/60/607254760.db2.gz OZVQQZWIQZCVEW-FLIBITNWSA-N -1 1 399.432 2.162 20 0 GEADMM O=C(CNc1c2ccccc2nnc1-c1nnn[n-]1)N1CCCc2ccccc21 ZINC000737896175 598962403 /nfs/dbraw/zinc/96/24/03/598962403.db2.gz YALFRGZUGZLVJS-UHFFFAOYSA-N -1 1 386.419 2.201 20 0 GEADMM O=C(CNc1c2ccccc2nnc1-c1nn[n-]n1)N1CCCc2ccccc21 ZINC000737896175 598962405 /nfs/dbraw/zinc/96/24/05/598962405.db2.gz YALFRGZUGZLVJS-UHFFFAOYSA-N -1 1 386.419 2.201 20 0 GEADMM COC(=O)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736891118 598967272 /nfs/dbraw/zinc/96/72/72/598967272.db2.gz HLRNUZWRHXVWJU-OAHLLOKOSA-N -1 1 389.419 2.487 20 0 GEADMM COC(=O)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736891118 598967273 /nfs/dbraw/zinc/96/72/73/598967273.db2.gz HLRNUZWRHXVWJU-OAHLLOKOSA-N -1 1 389.419 2.487 20 0 GEADMM O=[S@](CCNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccccc1 ZINC000738358023 598968010 /nfs/dbraw/zinc/96/80/10/598968010.db2.gz UKSDQDJHJLGWQA-HHHXNRCGSA-N -1 1 379.449 2.171 20 0 GEADMM O=[S@](CCNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccccc1 ZINC000738358023 598968011 /nfs/dbraw/zinc/96/80/11/598968011.db2.gz UKSDQDJHJLGWQA-HHHXNRCGSA-N -1 1 379.449 2.171 20 0 GEADMM Fc1cccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)c1F ZINC000737661911 598970110 /nfs/dbraw/zinc/97/01/10/598970110.db2.gz RFTNFHLXMPRRAW-UHFFFAOYSA-N -1 1 394.389 2.415 20 0 GEADMM Fc1cccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)c1F ZINC000737661911 598970111 /nfs/dbraw/zinc/97/01/11/598970111.db2.gz RFTNFHLXMPRRAW-UHFFFAOYSA-N -1 1 394.389 2.415 20 0 GEADMM O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1ccc(-c2nnn[n-]2)nc1 ZINC000738208695 598983791 /nfs/dbraw/zinc/98/37/91/598983791.db2.gz GPVZLOHTJQMMGY-UHFFFAOYSA-N -1 1 395.404 2.285 20 0 GEADMM O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1ccc(-c2nn[n-]n2)nc1 ZINC000738208695 598983793 /nfs/dbraw/zinc/98/37/93/598983793.db2.gz GPVZLOHTJQMMGY-UHFFFAOYSA-N -1 1 395.404 2.285 20 0 GEADMM COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737091391 598985170 /nfs/dbraw/zinc/98/51/70/598985170.db2.gz UXICTQCSTUODJA-UHFFFAOYSA-N -1 1 392.341 2.475 20 0 GEADMM COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737091391 598985171 /nfs/dbraw/zinc/98/51/71/598985171.db2.gz UXICTQCSTUODJA-UHFFFAOYSA-N -1 1 392.341 2.475 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C[C@H](C)O1 ZINC000736294501 598998199 /nfs/dbraw/zinc/99/81/99/598998199.db2.gz RZZPIIWDQAPXEI-BETUJISGSA-N -1 1 379.424 2.128 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C[C@H](C)O1 ZINC000736294501 598998200 /nfs/dbraw/zinc/99/82/00/598998200.db2.gz RZZPIIWDQAPXEI-BETUJISGSA-N -1 1 379.424 2.128 20 0 GEADMM O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738013177 598998967 /nfs/dbraw/zinc/99/89/67/598998967.db2.gz XZOPEQSXUILBRU-UHFFFAOYSA-N -1 1 392.419 2.232 20 0 GEADMM O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738013177 598998969 /nfs/dbraw/zinc/99/89/69/598998969.db2.gz XZOPEQSXUILBRU-UHFFFAOYSA-N -1 1 392.419 2.232 20 0 GEADMM COCc1c(Br)cccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737016624 599000149 /nfs/dbraw/zinc/00/01/49/599000149.db2.gz LPWLOAZNFPCWEB-UHFFFAOYSA-N -1 1 389.213 2.423 20 0 GEADMM COCc1c(Br)cccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737016624 599000151 /nfs/dbraw/zinc/00/01/51/599000151.db2.gz LPWLOAZNFPCWEB-UHFFFAOYSA-N -1 1 389.213 2.423 20 0 GEADMM O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738196399 599001038 /nfs/dbraw/zinc/00/10/38/599001038.db2.gz JNMZDNDKCDVCBC-UHFFFAOYSA-N -1 1 376.405 2.455 20 0 GEADMM O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738196399 599001041 /nfs/dbraw/zinc/00/10/41/599001041.db2.gz JNMZDNDKCDVCBC-UHFFFAOYSA-N -1 1 376.405 2.455 20 0 GEADMM O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243901 599003941 /nfs/dbraw/zinc/00/39/41/599003941.db2.gz CSLKLZAIDTZMFE-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ccccn2)n1 ZINC000735648068 599003708 /nfs/dbraw/zinc/00/37/08/599003708.db2.gz LKMPSKGEKXGSNZ-UHFFFAOYSA-N -1 1 389.423 2.392 20 0 GEADMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2ccccn2)n1 ZINC000735648068 599003709 /nfs/dbraw/zinc/00/37/09/599003709.db2.gz LKMPSKGEKXGSNZ-UHFFFAOYSA-N -1 1 389.423 2.392 20 0 GEADMM O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243901 599003943 /nfs/dbraw/zinc/00/39/43/599003943.db2.gz CSLKLZAIDTZMFE-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738210850 599005264 /nfs/dbraw/zinc/00/52/64/599005264.db2.gz WJCUPJKYCPSGBB-UHFFFAOYSA-N -1 1 382.384 2.095 20 0 GEADMM O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738210850 599005265 /nfs/dbraw/zinc/00/52/65/599005265.db2.gz WJCUPJKYCPSGBB-UHFFFAOYSA-N -1 1 382.384 2.095 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1(C)C ZINC000736609787 599008334 /nfs/dbraw/zinc/00/83/34/599008334.db2.gz FTBBGDWJBOKDIB-QWHCGFSZSA-N -1 1 399.904 2.344 20 0 GEADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1(C)C ZINC000736609787 599008336 /nfs/dbraw/zinc/00/83/36/599008336.db2.gz FTBBGDWJBOKDIB-QWHCGFSZSA-N -1 1 399.904 2.344 20 0 GEADMM O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051349 599025810 /nfs/dbraw/zinc/02/58/10/599025810.db2.gz MAJNVFRYONUPJZ-GFCCVEGCSA-N -1 1 383.843 2.171 20 0 GEADMM O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051349 599025812 /nfs/dbraw/zinc/02/58/12/599025812.db2.gz MAJNVFRYONUPJZ-GFCCVEGCSA-N -1 1 383.843 2.171 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735628451 599027925 /nfs/dbraw/zinc/02/79/25/599027925.db2.gz UPMCVPIEAJKBGR-JTQLQIEISA-N -1 1 379.442 2.342 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737635909 599061468 /nfs/dbraw/zinc/06/14/68/599061468.db2.gz PVURFPUELXUFLW-LLVKDONJSA-N -1 1 376.346 2.366 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737635909 599061471 /nfs/dbraw/zinc/06/14/71/599061471.db2.gz PVURFPUELXUFLW-LLVKDONJSA-N -1 1 376.346 2.366 20 0 GEADMM O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738040465 599109910 /nfs/dbraw/zinc/10/99/10/599109910.db2.gz PISKBDKDGCKZPW-CYBMUJFWSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738040465 599109912 /nfs/dbraw/zinc/10/99/12/599109912.db2.gz PISKBDKDGCKZPW-CYBMUJFWSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244376 599133431 /nfs/dbraw/zinc/13/34/31/599133431.db2.gz GZIPUWFBAIJVQO-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244376 599133432 /nfs/dbraw/zinc/13/34/32/599133432.db2.gz GZIPUWFBAIJVQO-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM COc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000737153771 599134987 /nfs/dbraw/zinc/13/49/87/599134987.db2.gz VHVHHDQKSIXXKV-INIZCTEOSA-N -1 1 396.407 2.090 20 0 GEADMM COc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000737153771 599134988 /nfs/dbraw/zinc/13/49/88/599134988.db2.gz VHVHHDQKSIXXKV-INIZCTEOSA-N -1 1 396.407 2.090 20 0 GEADMM O=C(OCCCc1nc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738221625 599136161 /nfs/dbraw/zinc/13/61/61/599136161.db2.gz LNEXOMVXQXUCSE-UHFFFAOYSA-N -1 1 377.364 2.101 20 0 GEADMM O=C(OCCCc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738221625 599136163 /nfs/dbraw/zinc/13/61/63/599136163.db2.gz LNEXOMVXQXUCSE-UHFFFAOYSA-N -1 1 377.364 2.101 20 0 GEADMM CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737190873 599138837 /nfs/dbraw/zinc/13/88/37/599138837.db2.gz JPMVWITVYNUUOL-JTQLQIEISA-N -1 1 384.421 2.168 20 0 GEADMM CSc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737190873 599138839 /nfs/dbraw/zinc/13/88/39/599138839.db2.gz JPMVWITVYNUUOL-JTQLQIEISA-N -1 1 384.421 2.168 20 0 GEADMM CCC[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736430471 599140850 /nfs/dbraw/zinc/14/08/50/599140850.db2.gz KLYGUHHIXKJSJO-HNNXBMFYSA-N -1 1 380.408 2.076 20 0 GEADMM CCC[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736430471 599140853 /nfs/dbraw/zinc/14/08/53/599140853.db2.gz KLYGUHHIXKJSJO-HNNXBMFYSA-N -1 1 380.408 2.076 20 0 GEADMM O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243977 599142335 /nfs/dbraw/zinc/14/23/35/599142335.db2.gz FHILGVGTABIRLZ-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243977 599142337 /nfs/dbraw/zinc/14/23/37/599142337.db2.gz FHILGVGTABIRLZ-UHFFFAOYSA-N -1 1 383.755 2.322 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736158842 599142644 /nfs/dbraw/zinc/14/26/44/599142644.db2.gz SMFUGEZAMDJTCF-STQMWFEESA-N -1 1 392.419 2.175 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000736158842 599142646 /nfs/dbraw/zinc/14/26/46/599142646.db2.gz SMFUGEZAMDJTCF-STQMWFEESA-N -1 1 392.419 2.175 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@H](O)c1ccccc1 ZINC000822542253 599198011 /nfs/dbraw/zinc/19/80/11/599198011.db2.gz WQSMRUSJYMIYQD-HNNXBMFYSA-N -1 1 392.419 2.412 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@H](O)c1ccccc1 ZINC000822542253 599198013 /nfs/dbraw/zinc/19/80/13/599198013.db2.gz WQSMRUSJYMIYQD-HNNXBMFYSA-N -1 1 392.419 2.412 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cccc(Br)c2C1 ZINC000738259782 599302416 /nfs/dbraw/zinc/30/24/16/599302416.db2.gz WEWLSDNNDKEQLS-UHFFFAOYSA-N -1 1 385.225 2.223 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cccc(Br)c2C1 ZINC000738259782 599302418 /nfs/dbraw/zinc/30/24/18/599302418.db2.gz WEWLSDNNDKEQLS-UHFFFAOYSA-N -1 1 385.225 2.223 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737486893 599224935 /nfs/dbraw/zinc/22/49/35/599224935.db2.gz GDFPQLUZVCUHIX-YOEHRIQHSA-N -1 1 394.483 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000737486893 599224937 /nfs/dbraw/zinc/22/49/37/599224937.db2.gz GDFPQLUZVCUHIX-YOEHRIQHSA-N -1 1 394.483 2.250 20 0 GEADMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)[C@H](C)CO2)c1 ZINC000737322722 599229046 /nfs/dbraw/zinc/22/90/46/599229046.db2.gz MKYPKEDKFKYEME-KDOFPFPSSA-N -1 1 378.436 2.481 20 0 GEADMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)[C@H](C)CO2)c1 ZINC000737322722 599229047 /nfs/dbraw/zinc/22/90/47/599229047.db2.gz MKYPKEDKFKYEME-KDOFPFPSSA-N -1 1 378.436 2.481 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccc(F)cc2O1 ZINC000736291917 599235968 /nfs/dbraw/zinc/23/59/68/599235968.db2.gz ZVMSFMGOPGQTDE-SECBINFHSA-N -1 1 393.375 2.121 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccc(F)cc2O1 ZINC000736291917 599235971 /nfs/dbraw/zinc/23/59/71/599235971.db2.gz ZVMSFMGOPGQTDE-SECBINFHSA-N -1 1 393.375 2.121 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000819018775 597086362 /nfs/dbraw/zinc/08/63/62/597086362.db2.gz PCYVOHSVHVIOKW-QGZVFWFLSA-N -1 1 384.480 2.292 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)N(C)C)cc1OC ZINC000818583040 597116694 /nfs/dbraw/zinc/11/66/94/597116694.db2.gz OJRLQVAZHRYTCF-GOEBONIOSA-N -1 1 393.484 2.203 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000818236493 597209879 /nfs/dbraw/zinc/20/98/79/597209879.db2.gz NGEOFYOEBIFCTG-UHFFFAOYSA-N -1 1 390.484 2.356 20 0 GEADMM COc1cc(-c2noc(C[N@H+]3CCC[C@H](CC(=O)[O-])C3)n2)cc(OC)c1OC ZINC000532711799 597256280 /nfs/dbraw/zinc/25/62/80/597256280.db2.gz KBRGFEDBOQOIJP-GFCCVEGCSA-N -1 1 391.424 2.449 20 0 GEADMM COc1cc(-c2noc(CN3CCC[C@H](CC(=O)[O-])C3)n2)cc(OC)c1OC ZINC000532711799 597256281 /nfs/dbraw/zinc/25/62/81/597256281.db2.gz KBRGFEDBOQOIJP-GFCCVEGCSA-N -1 1 391.424 2.449 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCCC(=O)[O-])cc1 ZINC000818914397 597279990 /nfs/dbraw/zinc/27/99/90/597279990.db2.gz ZQQYQBWSUOHTLO-UHFFFAOYSA-N -1 1 382.463 2.452 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000820996502 597491051 /nfs/dbraw/zinc/49/10/51/597491051.db2.gz CUWWIZNTIJJVBJ-ROUUACIJSA-N -1 1 381.432 2.193 20 0 GEADMM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000737551616 597495095 /nfs/dbraw/zinc/49/50/95/597495095.db2.gz VVCOUCGZUDRJEP-LBPRGKRZSA-N -1 1 391.401 2.320 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1)N1CCC(CO)CC1 ZINC000823493136 607315112 /nfs/dbraw/zinc/31/51/12/607315112.db2.gz FGUBFIXJZSIXKJ-UHFFFAOYSA-N -1 1 398.492 2.385 20 0 GEADMM O=C(N1CCCCC1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737994520 599265567 /nfs/dbraw/zinc/26/55/67/599265567.db2.gz ZCAZLEIAYRJZTN-UHFFFAOYSA-N -1 1 392.467 2.143 20 0 GEADMM O=C(N1CCCCC1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737994520 599265569 /nfs/dbraw/zinc/26/55/69/599265569.db2.gz ZCAZLEIAYRJZTN-UHFFFAOYSA-N -1 1 392.467 2.143 20 0 GEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCc1cccnc1N1CCOCC1 ZINC000738446377 599268174 /nfs/dbraw/zinc/26/81/74/599268174.db2.gz YBDBHUUMXRTHLY-UHFFFAOYSA-N -1 1 388.435 2.259 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2ccc(F)cc2C1 ZINC000823607134 607332994 /nfs/dbraw/zinc/33/29/94/607332994.db2.gz QMHDHWIDCHYPDQ-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2ccc(F)cc2C1 ZINC000823607134 607332995 /nfs/dbraw/zinc/33/29/95/607332995.db2.gz QMHDHWIDCHYPDQ-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000821414969 598172804 /nfs/dbraw/zinc/17/28/04/598172804.db2.gz CPZWMNPXNCEPBJ-SFHVURJKSA-N -1 1 381.432 2.277 20 0 GEADMM CCN1CCN(c2ccc(CNC(=O)Nc3ccccc3C(=O)[O-])cn2)CC1 ZINC000820353987 598177982 /nfs/dbraw/zinc/17/79/82/598177982.db2.gz JVIRFZNMJCPLHT-UHFFFAOYSA-N -1 1 383.452 2.243 20 0 GEADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000820459595 598187322 /nfs/dbraw/zinc/18/73/22/598187322.db2.gz HUNJKLDRYJRZJB-HRLGVUPISA-N -1 1 377.485 2.328 20 0 GEADMM CC(C)Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735850463 598260116 /nfs/dbraw/zinc/26/01/16/598260116.db2.gz QLVJHFFKJAKAPP-ZDUSSCGKSA-N -1 1 386.481 2.500 20 0 GEADMM CC(C)Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735850463 598260117 /nfs/dbraw/zinc/26/01/17/598260117.db2.gz QLVJHFFKJAKAPP-ZDUSSCGKSA-N -1 1 386.481 2.500 20 0 GEADMM CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736827420 598260485 /nfs/dbraw/zinc/26/04/85/598260485.db2.gz CTEKTINGLSRFIM-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736827420 598260487 /nfs/dbraw/zinc/26/04/87/598260487.db2.gz CTEKTINGLSRFIM-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737187284 598288713 /nfs/dbraw/zinc/28/87/13/598288713.db2.gz PNCMNKHBFCURSK-UHFFFAOYSA-N -1 1 394.819 2.412 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCc1ccsc1 ZINC000737488199 598307042 /nfs/dbraw/zinc/30/70/42/598307042.db2.gz RACFIURILAOGOZ-UHFFFAOYSA-N -1 1 397.464 2.306 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCc1ccsc1 ZINC000737488199 598307043 /nfs/dbraw/zinc/30/70/43/598307043.db2.gz RACFIURILAOGOZ-UHFFFAOYSA-N -1 1 397.464 2.306 20 0 GEADMM COc1cccc(Nc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)c1 ZINC000737141683 598337818 /nfs/dbraw/zinc/33/78/18/598337818.db2.gz PRWGHEOTNYGPRX-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM COc1ccc(CNc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)cc1 ZINC000737096379 598339770 /nfs/dbraw/zinc/33/97/70/598339770.db2.gz UPBNFIVBGTZBMC-UHFFFAOYSA-N -1 1 399.465 2.280 20 0 GEADMM Brc1cccc2c3c([nH]c21)CCN(c1nccnc1-c1nnn[n-]1)C3 ZINC000735368338 598347403 /nfs/dbraw/zinc/34/74/03/598347403.db2.gz JYXRJFODFBCGLV-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM Brc1cccc2c3c([nH]c21)CCN(c1nccnc1-c1nn[n-]n1)C3 ZINC000735368338 598347405 /nfs/dbraw/zinc/34/74/05/598347405.db2.gz JYXRJFODFBCGLV-UHFFFAOYSA-N -1 1 397.240 2.463 20 0 GEADMM c1ccc2sc(N3CCC(Nc4nccnc4-c4nnn[n-]4)CC3)nc2c1 ZINC000738443539 598350640 /nfs/dbraw/zinc/35/06/40/598350640.db2.gz XLEMSZJSJXIRCZ-UHFFFAOYSA-N -1 1 379.453 2.347 20 0 GEADMM c1ccc2sc(N3CCC(Nc4nccnc4-c4nn[n-]n4)CC3)nc2c1 ZINC000738443539 598350641 /nfs/dbraw/zinc/35/06/41/598350641.db2.gz XLEMSZJSJXIRCZ-UHFFFAOYSA-N -1 1 379.453 2.347 20 0 GEADMM CC[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC000736311990 598351843 /nfs/dbraw/zinc/35/18/43/598351843.db2.gz DDBJHKWDXHHEGA-MRXNPFEDSA-N -1 1 392.467 2.253 20 0 GEADMM CC[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000736311990 598351844 /nfs/dbraw/zinc/35/18/44/598351844.db2.gz DDBJHKWDXHHEGA-MRXNPFEDSA-N -1 1 392.467 2.253 20 0 GEADMM CCN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1ccoc1 ZINC000736511070 598354423 /nfs/dbraw/zinc/35/44/23/598354423.db2.gz NCXJFZKJKJWBBJ-UHFFFAOYSA-N -1 1 392.423 2.106 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2csc(C(C)C)n2)c(-c2nn[n-]n2)c1C ZINC000737551131 598361111 /nfs/dbraw/zinc/36/11/11/598361111.db2.gz FXKJHEYXZXPSFM-UHFFFAOYSA-N -1 1 390.425 2.452 20 0 GEADMM CC(C)(CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000735670136 598399522 /nfs/dbraw/zinc/39/95/22/598399522.db2.gz FCWLRNVFYNXVOK-UHFFFAOYSA-N -1 1 398.398 2.039 20 0 GEADMM CC(C)(CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000735670136 598399524 /nfs/dbraw/zinc/39/95/24/598399524.db2.gz FCWLRNVFYNXVOK-UHFFFAOYSA-N -1 1 398.398 2.039 20 0 GEADMM COC(=O)CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736912929 598400145 /nfs/dbraw/zinc/40/01/45/598400145.db2.gz IXPRTQFKUKRBAB-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM COC(=O)CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736912929 598400146 /nfs/dbraw/zinc/40/01/46/598400146.db2.gz IXPRTQFKUKRBAB-UHFFFAOYSA-N -1 1 399.382 2.481 20 0 GEADMM COC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000736981687 598417788 /nfs/dbraw/zinc/41/77/88/598417788.db2.gz ZPXQGUWVRLDCLR-INIZCTEOSA-N -1 1 396.451 2.021 20 0 GEADMM Cc1nc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cs1 ZINC000737471756 598455793 /nfs/dbraw/zinc/45/57/93/598455793.db2.gz SYUUMTLTSTZXKR-SNVBAGLBSA-N -1 1 387.469 2.159 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738355373 598465096 /nfs/dbraw/zinc/46/50/96/598465096.db2.gz PSVVGWPDBMEYFI-OAHLLOKOSA-N -1 1 384.465 2.220 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000738355373 598465098 /nfs/dbraw/zinc/46/50/98/598465098.db2.gz PSVVGWPDBMEYFI-OAHLLOKOSA-N -1 1 384.465 2.220 20 0 GEADMM Cc1cc2c[nH]nc2cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737285709 598506033 /nfs/dbraw/zinc/50/60/33/598506033.db2.gz TYBNEHLWKPYPOP-UHFFFAOYSA-N -1 1 392.423 2.340 20 0 GEADMM Cn1cc(C(=O)Nc2ccc(OC(=O)c3sccc3-c3nn[n-]n3)cc2)cn1 ZINC000737603863 598521074 /nfs/dbraw/zinc/52/10/74/598521074.db2.gz FXQYEHFXKLIPCR-UHFFFAOYSA-N -1 1 395.404 2.133 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(C)CCCC1 ZINC000737488478 598535092 /nfs/dbraw/zinc/53/50/92/598535092.db2.gz VXKJFFRGVPOZNO-UHFFFAOYSA-N -1 1 382.472 2.155 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(C)CCCC1 ZINC000737488478 598535095 /nfs/dbraw/zinc/53/50/95/598535095.db2.gz VXKJFFRGVPOZNO-UHFFFAOYSA-N -1 1 382.472 2.155 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cscn1)c1ccccc1 ZINC000738353796 598535407 /nfs/dbraw/zinc/53/54/07/598535407.db2.gz GYRSYIGREABKFO-UHFFFAOYSA-N -1 1 399.461 2.114 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cscn1)c1ccccc1 ZINC000738353796 598535408 /nfs/dbraw/zinc/53/54/08/598535408.db2.gz GYRSYIGREABKFO-UHFFFAOYSA-N -1 1 399.461 2.114 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3ccc(F)cc3C2)cc1-c1nn[n-]n1 ZINC000821971156 607360010 /nfs/dbraw/zinc/36/00/10/607360010.db2.gz YAHPNRCKXBQGMD-UHFFFAOYSA-N -1 1 386.412 2.027 20 0 GEADMM Cc1ncsc1CN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000737503196 598539630 /nfs/dbraw/zinc/53/96/30/598539630.db2.gz LSNLRYILNXTTIC-JTQLQIEISA-N -1 1 375.458 2.300 20 0 GEADMM CCC[C@H](CCO)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821022769 607360295 /nfs/dbraw/zinc/36/02/95/607360295.db2.gz URTPKGUVLIOKMT-LLVKDONJSA-N -1 1 390.513 2.390 20 0 GEADMM O=C(Nc1ccccc1O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738192388 598572208 /nfs/dbraw/zinc/57/22/08/598572208.db2.gz ZUTVGCFDUFIXCX-UHFFFAOYSA-N -1 1 399.842 2.476 20 0 GEADMM O=C(Nc1ccccc1O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738192388 598572209 /nfs/dbraw/zinc/57/22/09/598572209.db2.gz ZUTVGCFDUFIXCX-UHFFFAOYSA-N -1 1 399.842 2.476 20 0 GEADMM COc1cc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1OCCO ZINC000737042247 598576114 /nfs/dbraw/zinc/57/61/14/598576114.db2.gz PPVIGNBZLGJWJE-SNVBAGLBSA-N -1 1 390.831 2.468 20 0 GEADMM COc1cc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1OCCO ZINC000737042247 598576115 /nfs/dbraw/zinc/57/61/15/598576115.db2.gz PPVIGNBZLGJWJE-SNVBAGLBSA-N -1 1 390.831 2.468 20 0 GEADMM Cc1ccc(NC(=O)C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)nc1 ZINC000737356766 598576525 /nfs/dbraw/zinc/57/65/25/598576525.db2.gz RTKGILYTZGBCEY-UHFFFAOYSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1ccc(NC(=O)C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)nc1 ZINC000737356766 598576527 /nfs/dbraw/zinc/57/65/27/598576527.db2.gz RTKGILYTZGBCEY-UHFFFAOYSA-N -1 1 398.858 2.474 20 0 GEADMM Cc1ccccc1CC(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737425066 598579483 /nfs/dbraw/zinc/57/94/83/598579483.db2.gz YMWUFTZQDFBSOL-UHFFFAOYSA-N -1 1 397.870 2.115 20 0 GEADMM Cc1ccccc1CC(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737425066 598579484 /nfs/dbraw/zinc/57/94/84/598579484.db2.gz YMWUFTZQDFBSOL-UHFFFAOYSA-N -1 1 397.870 2.115 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738356233 598588779 /nfs/dbraw/zinc/58/87/79/598588779.db2.gz ZOEQKXAIWWNSAZ-UHFFFAOYSA-N -1 1 394.819 2.196 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2cc(Cl)cc(F)c21 ZINC000738356233 598588782 /nfs/dbraw/zinc/58/87/82/598588782.db2.gz ZOEQKXAIWWNSAZ-UHFFFAOYSA-N -1 1 394.819 2.196 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2cccs2)no1 ZINC000737488409 598607460 /nfs/dbraw/zinc/60/74/60/598607460.db2.gz UPUHMDDDTZRYQP-UHFFFAOYSA-N -1 1 393.436 2.423 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2cccs2)no1 ZINC000737488409 598607462 /nfs/dbraw/zinc/60/74/62/598607462.db2.gz UPUHMDDDTZRYQP-UHFFFAOYSA-N -1 1 393.436 2.423 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2ccsc2)no1 ZINC000737486069 598608952 /nfs/dbraw/zinc/60/89/52/598608952.db2.gz ADMPLUVHBNSAGK-UHFFFAOYSA-N -1 1 393.436 2.423 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2ccsc2)no1 ZINC000737486069 598608953 /nfs/dbraw/zinc/60/89/53/598608953.db2.gz ADMPLUVHBNSAGK-UHFFFAOYSA-N -1 1 393.436 2.423 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CCCN3C)cc1-c1nn[n-]n1 ZINC000737186903 598613919 /nfs/dbraw/zinc/61/39/19/598613919.db2.gz LNJPUMXTZPEHAF-UHFFFAOYSA-N -1 1 397.464 2.324 20 0 GEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737954514 598614604 /nfs/dbraw/zinc/61/46/04/598614604.db2.gz ZLJYNAKISKVOLD-UHFFFAOYSA-N -1 1 397.342 2.112 20 0 GEADMM CCc1nn(Cc2ccc(SC)c(OC)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706225 598642167 /nfs/dbraw/zinc/64/21/67/598642167.db2.gz IWTJVMRQISWQCE-UHFFFAOYSA-N -1 1 386.481 2.327 20 0 GEADMM CCN(Cc1c(F)cccc1F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736556020 598693287 /nfs/dbraw/zinc/69/32/87/598693287.db2.gz SKNNCZGMHIXGCR-UHFFFAOYSA-N -1 1 397.382 2.495 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000737982877 598721905 /nfs/dbraw/zinc/72/19/05/598721905.db2.gz TUVCGKKZDKMHHN-UHFFFAOYSA-N -1 1 386.415 2.309 20 0 GEADMM COc1cc(OC)cc([C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737051921 599303989 /nfs/dbraw/zinc/30/39/89/599303989.db2.gz MDFFFDCIMLNCGU-SNVBAGLBSA-N -1 1 382.833 2.139 20 0 GEADMM COc1cc(OC)cc([C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737051921 599303991 /nfs/dbraw/zinc/30/39/91/599303991.db2.gz MDFFFDCIMLNCGU-SNVBAGLBSA-N -1 1 382.833 2.139 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737552769 599335922 /nfs/dbraw/zinc/33/59/22/599335922.db2.gz QJQKFGIGDWTBRQ-LBPRGKRZSA-N -1 1 399.432 2.448 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2sccc2C1 ZINC000823599870 599336485 /nfs/dbraw/zinc/33/64/85/599336485.db2.gz AHWUMZBZEDGNFH-UHFFFAOYSA-N -1 1 381.870 2.329 20 0 GEADMM CCN(Cc1c(F)cccc1F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821222671 599342167 /nfs/dbraw/zinc/34/21/67/599342167.db2.gz WTSNLXTXNXBGBS-UHFFFAOYSA-N -1 1 397.382 2.495 20 0 GEADMM CCN(Cc1c(F)cccc1F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821222671 599342170 /nfs/dbraw/zinc/34/21/70/599342170.db2.gz WTSNLXTXNXBGBS-UHFFFAOYSA-N -1 1 397.382 2.495 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820769049 599342203 /nfs/dbraw/zinc/34/22/03/599342203.db2.gz QYIYTTQVNRMRRD-SNVBAGLBSA-N -1 1 391.840 2.496 20 0 GEADMM CCC[C@H]1SCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736437273 599342533 /nfs/dbraw/zinc/34/25/33/599342533.db2.gz VRQBWRNMTSRXQK-CQSZACIVSA-N -1 1 376.486 2.218 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](c2ccccc2F)C1 ZINC000823607377 599343636 /nfs/dbraw/zinc/34/36/36/599343636.db2.gz SXFNLWPIVUUBTO-LLVKDONJSA-N -1 1 391.403 2.323 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](c2ccccc2F)C1 ZINC000823607377 599343637 /nfs/dbraw/zinc/34/36/37/599343637.db2.gz SXFNLWPIVUUBTO-LLVKDONJSA-N -1 1 391.403 2.323 20 0 GEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737954050 599371023 /nfs/dbraw/zinc/37/10/23/599371023.db2.gz SKOBACQIDMBPAA-UHFFFAOYSA-N -1 1 397.342 2.112 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](c2ccccn2)C(C)C)cc1-c1nn[n-]n1 ZINC000821970391 599376608 /nfs/dbraw/zinc/37/66/08/599376608.db2.gz NDFBMJVNXZZFJY-ZDUSSCGKSA-N -1 1 385.453 2.211 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC([C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000737190341 599389255 /nfs/dbraw/zinc/38/92/55/599389255.db2.gz YLGXIKKNSLBVIT-JTQLQIEISA-N -1 1 388.497 2.094 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000822534867 599489480 /nfs/dbraw/zinc/48/94/80/599489480.db2.gz ATKISAIXOTWPMU-IBGZPJMESA-N -1 1 386.456 2.476 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000822534867 599489483 /nfs/dbraw/zinc/48/94/83/599489483.db2.gz ATKISAIXOTWPMU-IBGZPJMESA-N -1 1 386.456 2.476 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C1CC1 ZINC000820643294 599491996 /nfs/dbraw/zinc/49/19/96/599491996.db2.gz TZFNRTQHRHWOAO-HNNXBMFYSA-N -1 1 386.412 2.162 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C1CC1 ZINC000820643294 599491998 /nfs/dbraw/zinc/49/19/98/599491998.db2.gz TZFNRTQHRHWOAO-HNNXBMFYSA-N -1 1 386.412 2.162 20 0 GEADMM O=C(Cc1cccc(F)c1)NCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823111483 599510531 /nfs/dbraw/zinc/51/05/31/599510531.db2.gz KBYOBGFPUSETNY-UHFFFAOYSA-N -1 1 391.410 2.325 20 0 GEADMM O=C(Cc1cccc(F)c1)NCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823111483 599510533 /nfs/dbraw/zinc/51/05/33/599510533.db2.gz KBYOBGFPUSETNY-UHFFFAOYSA-N -1 1 391.410 2.325 20 0 GEADMM CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1nccs1 ZINC000736356992 599551891 /nfs/dbraw/zinc/55/18/91/599551891.db2.gz KSWVNKQZRGGGDA-GFCCVEGCSA-N -1 1 387.469 2.241 20 0 GEADMM O=C1CCCCN1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000823525282 599553980 /nfs/dbraw/zinc/55/39/80/599553980.db2.gz KMTZQJKOJYXULO-CQSZACIVSA-N -1 1 377.452 2.396 20 0 GEADMM O=C1CCCCN1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000823525282 599553983 /nfs/dbraw/zinc/55/39/83/599553983.db2.gz KMTZQJKOJYXULO-CQSZACIVSA-N -1 1 377.452 2.396 20 0 GEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCCSCC1 ZINC000738355273 599594692 /nfs/dbraw/zinc/59/46/92/599594692.db2.gz MXOJXCJTGKSOQN-UHFFFAOYSA-N -1 1 393.416 2.013 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](CC(C)C)C1 ZINC000822458028 599653243 /nfs/dbraw/zinc/65/32/43/599653243.db2.gz BVONLVLVTSMLMQ-OAHLLOKOSA-N -1 1 396.499 2.353 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](CC(C)C)C1 ZINC000822458028 599653244 /nfs/dbraw/zinc/65/32/44/599653244.db2.gz BVONLVLVTSMLMQ-OAHLLOKOSA-N -1 1 396.499 2.353 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820506593 599661418 /nfs/dbraw/zinc/66/14/18/599661418.db2.gz BVACMEMZZGDTAO-NSHDSACASA-N -1 1 377.364 2.154 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820506593 599661419 /nfs/dbraw/zinc/66/14/19/599661419.db2.gz BVACMEMZZGDTAO-NSHDSACASA-N -1 1 377.364 2.154 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccccc3)n2)c(Cl)c1 ZINC000740177683 599714051 /nfs/dbraw/zinc/71/40/51/599714051.db2.gz RWNNIHDBGSKNNM-UHFFFAOYSA-N -1 1 392.824 2.302 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000740177683 599714052 /nfs/dbraw/zinc/71/40/52/599714052.db2.gz RWNNIHDBGSKNNM-UHFFFAOYSA-N -1 1 392.824 2.302 20 0 GEADMM C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736776235 599780047 /nfs/dbraw/zinc/78/00/47/599780047.db2.gz VBHAHGXSDFKTIO-HUUCEWRRSA-N -1 1 384.498 2.081 20 0 GEADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 ZINC000737653327 599826190 /nfs/dbraw/zinc/82/61/90/599826190.db2.gz GPKINCDONOOLHS-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM CC(C)[C@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736392205 599831903 /nfs/dbraw/zinc/83/19/03/599831903.db2.gz UBXHQQSMRIPMTQ-AWEZNQCLSA-N -1 1 389.481 2.307 20 0 GEADMM C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736740428 599839864 /nfs/dbraw/zinc/83/98/64/599839864.db2.gz BDWMUHQAUPIKRK-LAUBAEHRSA-N -1 1 385.464 2.229 20 0 GEADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000563892671 599842016 /nfs/dbraw/zinc/84/20/16/599842016.db2.gz TZSDUCBJUQBWLE-INIZCTEOSA-N -1 1 398.481 2.456 20 0 GEADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000736206744 599851642 /nfs/dbraw/zinc/85/16/42/599851642.db2.gz DRXROHRVXRTGNN-YPMHNXCESA-N -1 1 392.843 2.159 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000736650758 599854013 /nfs/dbraw/zinc/85/40/13/599854013.db2.gz PMGWXLFKUULGDJ-GXFFZTMASA-N -1 1 386.433 2.075 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000738410114 600044771 /nfs/dbraw/zinc/04/47/71/600044771.db2.gz DCBFWEAPVMTUFU-GOSISDBHSA-N -1 1 395.459 2.413 20 0 GEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000736214006 600093635 /nfs/dbraw/zinc/09/36/35/600093635.db2.gz HXOYXZQJUNGQOI-NVXWUHKLSA-N -1 1 382.464 2.219 20 0 GEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000736214007 600094048 /nfs/dbraw/zinc/09/40/48/600094048.db2.gz HXOYXZQJUNGQOI-RDJZCZTQSA-N -1 1 382.464 2.219 20 0 GEADMM CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737028283 600097775 /nfs/dbraw/zinc/09/77/75/600097775.db2.gz CUFCNEOVYRKQBY-UHFFFAOYSA-N -1 1 380.397 2.465 20 0 GEADMM COc1ccc([C@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1Br ZINC000737949921 600107286 /nfs/dbraw/zinc/10/72/86/600107286.db2.gz PSSRLQXBPXVXPQ-NSHDSACASA-N -1 1 399.285 2.432 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc(C(C)C)nc2)c(-c2nn[n-]n2)c1C ZINC000822549207 607423630 /nfs/dbraw/zinc/42/36/30/607423630.db2.gz VXHXGXWIGBFFDT-UHFFFAOYSA-N -1 1 384.396 2.390 20 0 GEADMM O=C([O-])CN(CCN1CCOCC1)Cc1ccc(Br)cc1Cl ZINC000739789497 600146164 /nfs/dbraw/zinc/14/61/64/600146164.db2.gz ACHSDDYOFDIAES-UHFFFAOYSA-N -1 1 391.693 2.321 20 0 GEADMM O=C([O-])c1cccc(CS(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000312139740 600222491 /nfs/dbraw/zinc/22/24/91/600222491.db2.gz ZNGGULCLHOMXHD-IBGZPJMESA-N -1 1 388.489 2.469 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826340851 607432855 /nfs/dbraw/zinc/43/28/55/607432855.db2.gz NBNPEVIPSDPLCB-CABCVRRESA-N -1 1 396.451 2.448 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826340851 607432857 /nfs/dbraw/zinc/43/28/57/607432857.db2.gz NBNPEVIPSDPLCB-CABCVRRESA-N -1 1 396.451 2.448 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)N1CCN(C)CC1 ZINC000736352373 600284793 /nfs/dbraw/zinc/28/47/93/600284793.db2.gz JXQQOYUHEDBSJA-INIZCTEOSA-N -1 1 382.892 2.432 20 0 GEADMM CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000737160944 600285860 /nfs/dbraw/zinc/28/58/60/600285860.db2.gz BCTPWGUZXIVUEB-KGLIPLIRSA-N -1 1 392.452 2.247 20 0 GEADMM COc1cc(C)c([C@@H](C)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000737867006 600290939 /nfs/dbraw/zinc/29/09/39/600290939.db2.gz GHCIQNLGZZGNJM-GDBMZVCRSA-N -1 1 390.480 2.376 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC000738551394 600315865 /nfs/dbraw/zinc/31/58/65/600315865.db2.gz JQCNILSGCZGCGP-QGZVFWFLSA-N -1 1 387.411 2.190 20 0 GEADMM C[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738217226 600336637 /nfs/dbraw/zinc/33/66/37/600336637.db2.gz MBZODTKKJNVRHC-YLJYHZDGSA-N -1 1 384.476 2.331 20 0 GEADMM COC(=O)c1c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000737652740 600371111 /nfs/dbraw/zinc/37/11/11/600371111.db2.gz WVPSLSBBDOURDD-GHMZBOCLSA-N -1 1 382.482 2.251 20 0 GEADMM O=C([O-])c1ccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)c(F)c1 ZINC000740146842 600404449 /nfs/dbraw/zinc/40/44/49/600404449.db2.gz HGLSWIHETIZBSA-UHFFFAOYSA-N -1 1 379.432 2.490 20 0 GEADMM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC000736584932 600492397 /nfs/dbraw/zinc/49/23/97/600492397.db2.gz QQPBKVFNSHCJNO-KRWDZBQOSA-N -1 1 396.491 2.197 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@H](c3ccccc3)OC[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000822547681 607450101 /nfs/dbraw/zinc/45/01/01/607450101.db2.gz BCEJYJNLHFHGST-MLGOLLRUSA-N -1 1 396.451 2.477 20 0 GEADMM C[C@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661845 600522282 /nfs/dbraw/zinc/52/22/82/600522282.db2.gz ITTOBEJNZBFLPJ-KBPBESRZSA-N -1 1 395.459 2.259 20 0 GEADMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000047949131 600541437 /nfs/dbraw/zinc/54/14/37/600541437.db2.gz RIDLVLJJKJHWDP-UHFFFAOYSA-N -1 1 382.350 2.111 20 0 GEADMM Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1C(=O)[O-] ZINC000578062373 600549648 /nfs/dbraw/zinc/54/96/48/600549648.db2.gz DWZOCZCHIGAKKS-SFHVURJKSA-N -1 1 395.459 2.413 20 0 GEADMM O=C([O-])CCNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000739733596 600551175 /nfs/dbraw/zinc/55/11/75/600551175.db2.gz JTZPNWVLTBCJES-UHFFFAOYSA-N -1 1 376.457 2.487 20 0 GEADMM CCN(CC)C(=O)C1(NCC(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC000737078988 600556746 /nfs/dbraw/zinc/55/67/46/600556746.db2.gz UIGPQHCKMIIDFU-UHFFFAOYSA-N -1 1 375.469 2.484 20 0 GEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)NC3CCN(Cc4ccncc4)CC3)cc21 ZINC000739477099 600568021 /nfs/dbraw/zinc/56/80/21/600568021.db2.gz ZFPGRKDOLDOKAV-UHFFFAOYSA-N -1 1 394.435 2.442 20 0 GEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000737167336 600578467 /nfs/dbraw/zinc/57/84/67/600578467.db2.gz GJELRJWJJJXDGU-GFCCVEGCSA-N -1 1 375.425 2.233 20 0 GEADMM CCOC(=O)C1C(CSC[C@H](C)C(=O)[O-])=NC(=O)N[C@H]1c1ccccc1 ZINC000737133546 600604662 /nfs/dbraw/zinc/60/46/62/600604662.db2.gz GWJWJHAZGKFFAW-NHYWBVRUSA-N -1 1 378.450 2.312 20 0 GEADMM C[C@H](Sc1ccccc1C(=O)N1CCN(CC2CCOCC2)CC1)C(=O)[O-] ZINC000736712179 600609229 /nfs/dbraw/zinc/60/92/29/600609229.db2.gz KBCNKCYZTPRXCT-HNNXBMFYSA-N -1 1 392.521 2.436 20 0 GEADMM O=C([O-])CCCc1nnc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)s1 ZINC000739708574 600630919 /nfs/dbraw/zinc/63/09/19/600630919.db2.gz UGMRVAVBBJEZRO-GFCCVEGCSA-N -1 1 393.469 2.497 20 0 GEADMM Cc1cc(CNC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)n[nH]1 ZINC000738390421 600636360 /nfs/dbraw/zinc/63/63/60/600636360.db2.gz YVXSHOYLOAWORQ-UHFFFAOYSA-N -1 1 381.436 2.468 20 0 GEADMM CC1CCC(N2CCN(S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)CC2)CC1 ZINC000736767265 600638409 /nfs/dbraw/zinc/63/84/09/600638409.db2.gz BAAWUQRETRIULP-UHFFFAOYSA-N -1 1 380.510 2.411 20 0 GEADMM O=C([O-])COc1cccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000739832542 600642555 /nfs/dbraw/zinc/64/25/55/600642555.db2.gz UDLDPEORCOZOEC-KRWDZBQOSA-N -1 1 387.436 2.379 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000736724081 600649097 /nfs/dbraw/zinc/64/90/97/600649097.db2.gz KOMGXTYSTPBTJZ-CRAIPNDOSA-N -1 1 388.489 2.428 20 0 GEADMM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000738669763 600686571 /nfs/dbraw/zinc/68/65/71/600686571.db2.gz GPPONOALFDQQOS-YOEHRIQHSA-N -1 1 375.450 2.018 20 0 GEADMM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc2c(c1)CC(=O)N2C ZINC000827727192 600692162 /nfs/dbraw/zinc/69/21/62/600692162.db2.gz GNSVGUPNRPUVSC-NHYWBVRUSA-N -1 1 399.472 2.421 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c(O)c1 ZINC000477419496 600694257 /nfs/dbraw/zinc/69/42/57/600694257.db2.gz YXVNDNQFRHMZGQ-UHFFFAOYSA-N -1 1 379.390 2.376 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000635503973 600710729 /nfs/dbraw/zinc/71/07/29/600710729.db2.gz KDZWYJNEHBECQJ-FCEWJHQRSA-N -1 1 389.496 2.302 20 0 GEADMM O=C([O-])c1ccccc1CS(=O)(=O)N1CCN(CC2CCCCC2)CC1 ZINC000833332523 600727400 /nfs/dbraw/zinc/72/74/00/600727400.db2.gz DMJPAQHMJUPCGD-UHFFFAOYSA-N -1 1 380.510 2.413 20 0 GEADMM COC(=O)c1sc(N)c(C(=O)[O-])c1COC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000737719416 600735795 /nfs/dbraw/zinc/73/57/95/600735795.db2.gz YUQCCIXSQNLYIZ-BBBLOLIVSA-N -1 1 384.454 2.120 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000832869467 600762511 /nfs/dbraw/zinc/76/25/11/600762511.db2.gz XBQVZTDJJINQSY-UHFFFAOYSA-N -1 1 388.489 2.071 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000827687956 600763840 /nfs/dbraw/zinc/76/38/40/600763840.db2.gz PJZZSSRRNFAEST-QWHCGFSZSA-N -1 1 392.415 2.286 20 0 GEADMM Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000232754978 600766089 /nfs/dbraw/zinc/76/60/89/600766089.db2.gz GKPLMHYXUZDPIS-MRXNPFEDSA-N -1 1 376.478 2.144 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000830855627 600786429 /nfs/dbraw/zinc/78/64/29/600786429.db2.gz CRCKFQKXTHRDAA-MRXNPFEDSA-N -1 1 392.452 2.419 20 0 GEADMM CCCCn1c(=O)[nH]nc1S[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829447333 600804409 /nfs/dbraw/zinc/80/44/09/600804409.db2.gz MHEOSHUWVSIPAB-SNVBAGLBSA-N -1 1 382.467 2.441 20 0 GEADMM CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000298317569 600810142 /nfs/dbraw/zinc/81/01/42/600810142.db2.gz REFFIRRCOHVJHH-UHFFFAOYSA-N -1 1 395.437 2.133 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1C(=O)[O-] ZINC000298836415 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-1 1 378.469 2.333 20 0 GEADMM Cc1cc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)cc(C)c1OCC(=O)[O-] ZINC000832867823 601501057 /nfs/dbraw/zinc/50/10/57/601501057.db2.gz JJUVYZMMVHOBNE-QGZVFWFLSA-N -1 1 379.453 2.280 20 0 GEADMM CC(=O)Nc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c(C(F)(F)F)c1 ZINC000825902820 601523506 /nfs/dbraw/zinc/52/35/06/601523506.db2.gz FJOOATMJJYHDKY-SKDRFNHKSA-N -1 1 387.358 2.255 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CN1C1CC1 ZINC000828167589 601569387 /nfs/dbraw/zinc/56/93/87/601569387.db2.gz JIJGRRHKIATEHA-WDEREUQCSA-N -1 1 391.493 2.005 20 0 GEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000826871504 601573032 /nfs/dbraw/zinc/57/30/32/601573032.db2.gz ZBZQEXJRYJUVJC-UHFFFAOYSA-N -1 1 390.452 2.404 20 0 GEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000826032008 601610963 /nfs/dbraw/zinc/61/09/63/601610963.db2.gz WPEVAHRETKWDHG-LAUBAEHRSA-N -1 1 396.491 2.172 20 0 GEADMM Cc1ccc(NC(=O)CN(C)C(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000832943657 601651061 /nfs/dbraw/zinc/65/10/61/601651061.db2.gz KXSJRGNNXCEEKA-IIBYNOLFSA-N -1 1 397.475 2.444 20 0 GEADMM Cc1ccc(NC(=O)C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000832941480 601777134 /nfs/dbraw/zinc/77/71/34/601777134.db2.gz PKXNGYGBCVLUSO-JOCHJYFZSA-N -1 1 395.459 2.169 20 0 GEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000829570550 601781323 /nfs/dbraw/zinc/78/13/23/601781323.db2.gz HTYHBKSAKUWGBA-ZDUSSCGKSA-N -1 1 377.376 2.200 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CCO2)n1 ZINC000829570550 601781325 /nfs/dbraw/zinc/78/13/25/601781325.db2.gz HTYHBKSAKUWGBA-ZDUSSCGKSA-N -1 1 377.376 2.200 20 0 GEADMM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cn1C ZINC000525312067 601782782 /nfs/dbraw/zinc/78/27/82/601782782.db2.gz SGQCMYLKCQNDKJ-UHFFFAOYSA-N -1 1 380.422 2.318 20 0 GEADMM CCCc1nc([C@@H]2CN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000829570908 601794230 /nfs/dbraw/zinc/79/42/30/601794230.db2.gz LGAWRTGABRNZNI-AWEZNQCLSA-N -1 1 388.428 2.130 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CCO2)n1 ZINC000829570908 601794231 /nfs/dbraw/zinc/79/42/31/601794231.db2.gz LGAWRTGABRNZNI-AWEZNQCLSA-N -1 1 388.428 2.130 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000830049980 601796687 /nfs/dbraw/zinc/79/66/87/601796687.db2.gz UGGXMFKQGDKOJN-HOCLYGCPSA-N -1 1 390.484 2.022 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451599 601818627 /nfs/dbraw/zinc/81/86/27/601818627.db2.gz UWUJQGVIEIVDRE-PJUBBZNESA-N -1 1 381.432 2.217 20 0 GEADMM COc1ccc(-c2csc(NC(=O)CN[C@H](C(=O)[O-])C(C)C)n2)c(OC)c1 ZINC000832124711 601824024 /nfs/dbraw/zinc/82/40/24/601824024.db2.gz XPGAWBCQVRDSNP-INIZCTEOSA-N -1 1 393.465 2.465 20 0 GEADMM COC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000831198903 601837787 /nfs/dbraw/zinc/83/77/87/601837787.db2.gz SMOPFOPPEGHHFM-UHFFFAOYSA-N -1 1 399.812 2.437 20 0 GEADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662218097 601842213 /nfs/dbraw/zinc/84/22/13/601842213.db2.gz LSJLMZLCMVYPIF-KRWDZBQOSA-N -1 1 390.480 2.252 20 0 GEADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662218054 601842665 /nfs/dbraw/zinc/84/26/65/601842665.db2.gz KZKYMQKHTAORMQ-MRXNPFEDSA-N -1 1 389.496 2.323 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000826011495 601844333 /nfs/dbraw/zinc/84/43/33/601844333.db2.gz AGHZPBMOBVNREG-MRXNPFEDSA-N -1 1 389.496 2.427 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000470450386 601853669 /nfs/dbraw/zinc/85/36/69/601853669.db2.gz YVHQOLBQXSGCRL-GFCCVEGCSA-N -1 1 393.417 2.362 20 0 GEADMM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000740398320 601862531 /nfs/dbraw/zinc/86/25/31/601862531.db2.gz IOEMODFJICAWRH-LZQZEXGQSA-N -1 1 386.496 2.473 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc2)CC1 ZINC000635507193 601866434 /nfs/dbraw/zinc/86/64/34/601866434.db2.gz KWYGFQQTTIPPFZ-HXUWFJFHSA-N -1 1 396.491 2.173 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1CSCN1C(=O)[O-])N1CCCCC1 ZINC000739966130 601876795 /nfs/dbraw/zinc/87/67/95/601876795.db2.gz ZMWQURJMTYIGCP-JKSUJKDBSA-N -1 1 393.509 2.391 20 0 GEADMM CN(Cc1ccc(OCC(N)=O)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830839946 601903111 /nfs/dbraw/zinc/90/31/11/601903111.db2.gz GBLBXPIMNIMRED-QGZVFWFLSA-N -1 1 382.338 2.226 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(I)c2)C1 ZINC000062936111 601918498 /nfs/dbraw/zinc/91/84/98/601918498.db2.gz LCBDGCKQYJWRCX-CQSZACIVSA-N -1 1 388.205 2.026 20 0 GEADMM COc1ccc(CNC(=O)CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000739909445 601928912 /nfs/dbraw/zinc/92/89/12/601928912.db2.gz SKBFHWZFNNSJAV-ROUUACIJSA-N -1 1 375.469 2.308 20 0 GEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000740641589 601940239 /nfs/dbraw/zinc/94/02/39/601940239.db2.gz JNIIFBJZAFZYSK-HNNXBMFYSA-N -1 1 375.469 2.214 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000739313185 601949870 /nfs/dbraw/zinc/94/98/70/601949870.db2.gz NSTCGQMLYUAAAI-CJNGLKHVSA-N -1 1 380.464 2.191 20 0 GEADMM Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccnc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826273644 607536350 /nfs/dbraw/zinc/53/63/50/607536350.db2.gz NROPTOAUBDCBCE-UHFFFAOYSA-N -1 1 396.432 2.340 20 0 GEADMM Cc1ccc(-c2nc(CS(=O)(=O)Cc3ccnc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826273644 607536353 /nfs/dbraw/zinc/53/63/53/607536353.db2.gz NROPTOAUBDCBCE-UHFFFAOYSA-N -1 1 396.432 2.340 20 0 GEADMM O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826487011 607536930 /nfs/dbraw/zinc/53/69/30/607536930.db2.gz ZYZZWKCWKGLDHQ-UHFFFAOYSA-N -1 1 382.405 2.032 20 0 GEADMM O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826487011 607536932 /nfs/dbraw/zinc/53/69/32/607536932.db2.gz ZYZZWKCWKGLDHQ-UHFFFAOYSA-N -1 1 382.405 2.032 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398120916 601989329 /nfs/dbraw/zinc/98/93/29/601989329.db2.gz QMEHKWDPWLOMRO-CRAIPNDOSA-N -1 1 388.489 2.255 20 0 GEADMM Cc1sc2nc(SCc3ccnc(-c4nnn[n-]4)c3)n(C)c(=O)c2c1C ZINC000826350225 607538085 /nfs/dbraw/zinc/53/80/85/607538085.db2.gz MWLLDPKATFJCNO-UHFFFAOYSA-N -1 1 385.478 2.479 20 0 GEADMM Cc1sc2nc(SCc3ccnc(-c4nn[n-]n4)c3)n(C)c(=O)c2c1C ZINC000826350225 607538087 /nfs/dbraw/zinc/53/80/87/607538087.db2.gz MWLLDPKATFJCNO-UHFFFAOYSA-N -1 1 385.478 2.479 20 0 GEADMM C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844106 607538842 /nfs/dbraw/zinc/53/88/42/607538842.db2.gz PQIWKFFEPAUWFV-NRFANRHFSA-N -1 1 399.414 2.382 20 0 GEADMM C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844106 607538844 /nfs/dbraw/zinc/53/88/44/607538844.db2.gz PQIWKFFEPAUWFV-NRFANRHFSA-N -1 1 399.414 2.382 20 0 GEADMM Cc1nnc([C@H]2CN(C(=O)c3cc(NC(=O)[O-])cc(C(F)(F)F)c3)CCO2)[nH]1 ZINC000832991930 602020884 /nfs/dbraw/zinc/02/08/84/602020884.db2.gz SCSJRABMWUUKEK-GFCCVEGCSA-N -1 1 399.329 2.436 20 0 GEADMM O=C([O-])N1CSC[C@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000740345391 602024012 /nfs/dbraw/zinc/02/40/12/602024012.db2.gz ATHMGGOXQNIGBG-AWEZNQCLSA-N -1 1 387.465 2.231 20 0 GEADMM Nn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccc(Cl)cc1 ZINC000826397235 607539769 /nfs/dbraw/zinc/53/97/69/607539769.db2.gz YHSGVTIBXWLLJC-UHFFFAOYSA-N -1 1 385.844 2.180 20 0 GEADMM Nn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccc(Cl)cc1 ZINC000826397235 607539771 /nfs/dbraw/zinc/53/97/71/607539771.db2.gz YHSGVTIBXWLLJC-UHFFFAOYSA-N -1 1 385.844 2.180 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cn1 ZINC000740708800 602036937 /nfs/dbraw/zinc/03/69/37/602036937.db2.gz KVBBXXBAJPWVCJ-UHFFFAOYSA-N -1 1 385.405 2.199 20 0 GEADMM O=C([O-])NCCc1ccc(CNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)cc1 ZINC000740672545 602037907 /nfs/dbraw/zinc/03/79/07/602037907.db2.gz JJFHZLDOXMPEKY-UHFFFAOYSA-N -1 1 398.444 2.364 20 0 GEADMM CN(Cc1cn(C)nc1C(F)(F)F)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825992139 607541285 /nfs/dbraw/zinc/54/12/85/607541285.db2.gz QPZAWZIRLSGLJQ-UHFFFAOYSA-N -1 1 389.345 2.199 20 0 GEADMM CN(Cc1cn(C)nc1C(F)(F)F)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825992139 607541287 /nfs/dbraw/zinc/54/12/87/607541287.db2.gz QPZAWZIRLSGLJQ-UHFFFAOYSA-N -1 1 389.345 2.199 20 0 GEADMM CCCc1ccc([C@@]2(C)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000825348083 607541690 /nfs/dbraw/zinc/54/16/90/607541690.db2.gz BXTDBYVJFYVXFH-HXUWFJFHSA-N -1 1 391.435 2.181 20 0 GEADMM CCCc1ccc([C@@]2(C)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000825348083 607541692 /nfs/dbraw/zinc/54/16/92/607541692.db2.gz BXTDBYVJFYVXFH-HXUWFJFHSA-N -1 1 391.435 2.181 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)N2CCCC2)c1 ZINC000739944761 602062799 /nfs/dbraw/zinc/06/27/99/602062799.db2.gz GXPFSEYZGLRBIH-CRAIPNDOSA-N -1 1 390.484 2.131 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)N2CCCC2)c1 ZINC000739944765 602062829 /nfs/dbraw/zinc/06/28/29/602062829.db2.gz GXPFSEYZGLRBIH-MAUKXSAKSA-N -1 1 390.484 2.131 20 0 GEADMM Cc1nc2c3ccccc3nc(SCc3ccnc(-c4nnn[n-]4)c3)n2n1 ZINC000826328539 607542857 /nfs/dbraw/zinc/54/28/57/607542857.db2.gz VAXNIZKBPYYREE-UHFFFAOYSA-N -1 1 375.421 2.453 20 0 GEADMM Cc1nc2c3ccccc3nc(SCc3ccnc(-c4nn[n-]n4)c3)n2n1 ZINC000826328539 607542860 /nfs/dbraw/zinc/54/28/60/607542860.db2.gz VAXNIZKBPYYREE-UHFFFAOYSA-N -1 1 375.421 2.453 20 0 GEADMM CCC(CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1)N1CCOCC1 ZINC000739253640 602075676 /nfs/dbraw/zinc/07/56/76/602075676.db2.gz SFUFNUOROLSBIP-NJAFHUGGSA-N -1 1 398.548 2.201 20 0 GEADMM CCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825576044 607543296 /nfs/dbraw/zinc/54/32/96/607543296.db2.gz BMRNHHCUUBLWMD-UHFFFAOYSA-N -1 1 391.391 2.203 20 0 GEADMM CCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825576044 607543297 /nfs/dbraw/zinc/54/32/97/607543297.db2.gz BMRNHHCUUBLWMD-UHFFFAOYSA-N -1 1 391.391 2.203 20 0 GEADMM CN(C[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1)C(=O)[O-] ZINC000739641114 602081015 /nfs/dbraw/zinc/08/10/15/602081015.db2.gz JNPLWCGYUXPIMV-INIZCTEOSA-N -1 1 389.500 2.077 20 0 GEADMM CN(C[C@H]1CCCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1)C(=O)[O-] ZINC000739641115 602081035 /nfs/dbraw/zinc/08/10/35/602081035.db2.gz JNPLWCGYUXPIMV-MRXNPFEDSA-N -1 1 389.500 2.077 20 0 GEADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3cc(-c4ccoc4)n[nH]3)nc2)CC1 ZINC000740462826 602120500 /nfs/dbraw/zinc/12/05/00/602120500.db2.gz FLSPMVXSTZHCSV-UHFFFAOYSA-N -1 1 382.380 2.117 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167402 602136425 /nfs/dbraw/zinc/13/64/25/602136425.db2.gz GKTHESJBXDEWHZ-DNVCBOLYSA-N -1 1 395.459 2.031 20 0 GEADMM CCOc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)ccc1OCC(=O)[O-] ZINC000830038263 602144266 /nfs/dbraw/zinc/14/42/66/602144266.db2.gz NYWWDMGCAJRMHE-UHFFFAOYSA-N -1 1 386.364 2.488 20 0 GEADMM O=C(NCc1ccco1)c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826443496 607546490 /nfs/dbraw/zinc/54/64/90/607546490.db2.gz RREZSABZAGNFBM-UHFFFAOYSA-N -1 1 375.392 2.397 20 0 GEADMM O=C(NCc1ccco1)c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826443496 607546492 /nfs/dbraw/zinc/54/64/92/607546492.db2.gz RREZSABZAGNFBM-UHFFFAOYSA-N -1 1 375.392 2.397 20 0 GEADMM COc1cc(OC)cc([C@@H](NCc2ccc(S(C)(=O)=O)cc2)C(=O)[O-])c1 ZINC000832058294 602167950 /nfs/dbraw/zinc/16/79/50/602167950.db2.gz YJLXSLOVJGYMAE-QGZVFWFLSA-N -1 1 379.434 2.023 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)N2CCCC2)o1 ZINC000740118152 602185986 /nfs/dbraw/zinc/18/59/86/602185986.db2.gz PLNQUHWGJPQUQJ-JKSUJKDBSA-N -1 1 378.473 2.414 20 0 GEADMM COc1ccc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)cc1NC(=O)[O-] ZINC000739915190 602270681 /nfs/dbraw/zinc/27/06/81/602270681.db2.gz GOGJDXOBTXFAGZ-SNVBAGLBSA-N -1 1 397.391 2.418 20 0 GEADMM O=C([O-])NCCNC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000740663400 602320242 /nfs/dbraw/zinc/32/02/42/602320242.db2.gz PCRVVXQZACTJDJ-UHFFFAOYSA-N -1 1 388.390 2.190 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)CC2)cc1 ZINC000832315153 602375300 /nfs/dbraw/zinc/37/53/00/602375300.db2.gz SREZLRCUGDAORA-UHFFFAOYSA-N -1 1 386.452 2.472 20 0 GEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738950274 602398655 /nfs/dbraw/zinc/39/86/55/602398655.db2.gz MERUFWNKXIKHBF-KBPBESRZSA-N -1 1 383.439 2.334 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000825922542 602401094 /nfs/dbraw/zinc/40/10/94/602401094.db2.gz FKKNIFLSFSIMSJ-KRWDZBQOSA-N -1 1 397.475 2.499 20 0 GEADMM CN(C)[C@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1cccc(F)c1 ZINC000739648325 602413866 /nfs/dbraw/zinc/41/38/66/602413866.db2.gz FTNZLLZNWPNRQN-QGZVFWFLSA-N -1 1 380.464 2.460 20 0 GEADMM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])CC2)c1 ZINC000739983650 602519532 /nfs/dbraw/zinc/51/95/32/602519532.db2.gz HATQLQKUEAYEGW-PVAVHDDUSA-N -1 1 388.468 2.050 20 0 GEADMM COc1cc(C)c([C@@H](C)NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739850236 602528551 /nfs/dbraw/zinc/52/85/51/602528551.db2.gz JBAGVJXGLVBCES-HUUCEWRRSA-N -1 1 393.484 2.121 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000739933301 602532440 /nfs/dbraw/zinc/53/24/40/602532440.db2.gz WBXGAFKKMVPANN-SOUVJXGZSA-N -1 1 393.484 2.201 20 0 GEADMM CN(C[C@H]1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)C1)C(=O)[O-] ZINC000739661697 602543357 /nfs/dbraw/zinc/54/33/57/602543357.db2.gz VTOVEMZOJGNWSN-GOSISDBHSA-N -1 1 389.496 2.126 20 0 GEADMM CCCN(CC(=O)N(C)Cc1ccc(OC)c(F)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351999 602545272 /nfs/dbraw/zinc/54/52/72/602545272.db2.gz SUFKSZLCFWVWDJ-HNNXBMFYSA-N -1 1 381.448 2.257 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000739229839 602567720 /nfs/dbraw/zinc/56/77/20/602567720.db2.gz FMQGSLNHEAJNPI-NHYWBVRUSA-N -1 1 375.429 2.020 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)N1CCCCC1 ZINC000739960818 602580947 /nfs/dbraw/zinc/58/09/47/602580947.db2.gz GCVLRTLFYALGHL-DOTOQJQBSA-N -1 1 390.484 2.274 20 0 GEADMM CN1CCN(c2ncccc2CNC(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000739735913 602600089 /nfs/dbraw/zinc/60/00/89/602600089.db2.gz GPMIGGYHWUBTAS-UHFFFAOYSA-N -1 1 384.440 2.245 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000738822995 602607450 /nfs/dbraw/zinc/60/74/50/602607450.db2.gz DEUYZJACKDHUJJ-SFHVURJKSA-N -1 1 390.484 2.201 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739891676 602612343 /nfs/dbraw/zinc/61/23/43/602612343.db2.gz DMTNHFBYSDFXCO-SJLPKXTDSA-N -1 1 390.484 2.274 20 0 GEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000739188471 602615046 /nfs/dbraw/zinc/61/50/46/602615046.db2.gz YDRYCDFLURTXJW-BZUAXINKSA-N -1 1 392.500 2.093 20 0 GEADMM COc1cccc([C@H](CNC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739945825 602655521 /nfs/dbraw/zinc/65/55/21/602655521.db2.gz PHEPKCUEOCAETL-YJBOKZPZSA-N -1 1 392.500 2.377 20 0 GEADMM COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826190210 607580274 /nfs/dbraw/zinc/58/02/74/607580274.db2.gz UCFAGWBKCALMLO-NSHDSACASA-N -1 1 391.428 2.362 20 0 GEADMM COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826190210 607580276 /nfs/dbraw/zinc/58/02/76/607580276.db2.gz UCFAGWBKCALMLO-NSHDSACASA-N -1 1 391.428 2.362 20 0 GEADMM CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825631648 607581567 /nfs/dbraw/zinc/58/15/67/607581567.db2.gz FKDKUOLSQICEQF-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825631648 607581569 /nfs/dbraw/zinc/58/15/69/607581569.db2.gz FKDKUOLSQICEQF-NSHDSACASA-N -1 1 391.428 2.444 20 0 GEADMM O=C([O-])N1CCC[C@H](CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)C1 ZINC000740513010 602702884 /nfs/dbraw/zinc/70/28/84/602702884.db2.gz SGSVSJXMTHNRFL-MRXNPFEDSA-N -1 1 385.468 2.244 20 0 GEADMM C[C@H](CCc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824412951 607577763 /nfs/dbraw/zinc/57/77/63/607577763.db2.gz HMWGPIFCHFNEIH-SNVBAGLBSA-N -1 1 381.845 2.413 20 0 GEADMM C[C@H](CCc1ccco1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824412951 607577765 /nfs/dbraw/zinc/57/77/65/607577765.db2.gz HMWGPIFCHFNEIH-SNVBAGLBSA-N -1 1 381.845 2.413 20 0 GEADMM C[C@@H]1CN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739178344 602762333 /nfs/dbraw/zinc/76/23/33/602762333.db2.gz YRILJCKQFZVAIF-VQIMIIECSA-N -1 1 389.496 2.172 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739901102 602786431 /nfs/dbraw/zinc/78/64/31/602786431.db2.gz BGLRVEPTWDFYOK-IJEWVQPXSA-N -1 1 393.484 2.029 20 0 GEADMM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825107985 602791063 /nfs/dbraw/zinc/79/10/63/602791063.db2.gz IUMSKGXSJJCCPT-ZBFHGGJFSA-N -1 1 392.475 2.287 20 0 GEADMM C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824937912 607588324 /nfs/dbraw/zinc/58/83/24/607588324.db2.gz RVSDEFGYNZPDHO-AAEUAGOBSA-N -1 1 399.904 2.394 20 0 GEADMM C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824937912 607588325 /nfs/dbraw/zinc/58/83/25/607588325.db2.gz RVSDEFGYNZPDHO-AAEUAGOBSA-N -1 1 399.904 2.394 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)N2CCCC2)o1 ZINC000740119518 602828628 /nfs/dbraw/zinc/82/86/28/602828628.db2.gz WCRZCVWEHBWTPS-IMJJTQAJSA-N -1 1 378.473 2.413 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)N2CCCC2)o1 ZINC000740119519 602828963 /nfs/dbraw/zinc/82/89/63/602828963.db2.gz WCRZCVWEHBWTPS-KBMXLJTQSA-N -1 1 378.473 2.413 20 0 GEADMM CCC(CC)N(CCOC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825107546 607590229 /nfs/dbraw/zinc/59/02/29/607590229.db2.gz QKUGPDIREWUPAI-UHFFFAOYSA-N -1 1 387.893 2.346 20 0 GEADMM CN(CCN1CCN(C(=O)[O-])CC1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000739684418 602867881 /nfs/dbraw/zinc/86/78/81/602867881.db2.gz MWMTUIKMEDYUQS-UHFFFAOYSA-N -1 1 388.512 2.040 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739457282 602879716 /nfs/dbraw/zinc/87/97/16/602879716.db2.gz RCWSXGUJFOSHQG-MRXNPFEDSA-N -1 1 389.500 2.483 20 0 GEADMM CN1CCN(c2ccccc2NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739736674 602880604 /nfs/dbraw/zinc/88/06/04/602880604.db2.gz OHQYABCAQJXOKH-OAHLLOKOSA-N -1 1 375.473 2.092 20 0 GEADMM O=S(=O)([N-][C@H](c1ccccc1)C(F)(F)F)c1ccccc1-c1nn[nH]n1 ZINC000826487546 607590872 /nfs/dbraw/zinc/59/08/72/607590872.db2.gz RDZYPTIBZOSNOD-CYBMUJFWSA-N -1 1 383.355 2.449 20 0 GEADMM O=S(=O)(NCCc1ccc2ccccc2n1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491492 607599320 /nfs/dbraw/zinc/59/93/20/607599320.db2.gz LYQKIPYOPJMUBM-UHFFFAOYSA-N -1 1 398.423 2.075 20 0 GEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000739200114 603002005 /nfs/dbraw/zinc/00/20/05/603002005.db2.gz SXHQODSEDBLIDC-SJLPKXTDSA-N -1 1 389.500 2.220 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])N2CCCC2)c1 ZINC000739945264 603013270 /nfs/dbraw/zinc/01/32/70/603013270.db2.gz JGCYPZTXBSTAQU-KSZLIROESA-N -1 1 375.469 2.385 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739184774 603020470 /nfs/dbraw/zinc/02/04/70/603020470.db2.gz LZKNNEGCYDHQRV-OHQAAIJDSA-N -1 1 389.496 2.348 20 0 GEADMM Cc1cc(C)c(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000826263260 607601016 /nfs/dbraw/zinc/60/10/16/607601016.db2.gz RSZCBTHOECUTGX-UHFFFAOYSA-N -1 1 375.429 2.410 20 0 GEADMM O=C([O-])N1CCC2(CC1)NC(=O)N(CN(CC1CCCCC1)C1CC1)C2=O ZINC000740508868 603050175 /nfs/dbraw/zinc/05/01/75/603050175.db2.gz FPUBLNFZQLLIOI-UHFFFAOYSA-N -1 1 378.473 2.053 20 0 GEADMM CC[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)CCN1C[C@@H](C)O ZINC000826682971 603059287 /nfs/dbraw/zinc/05/92/87/603059287.db2.gz RCXRTXBNADLJDI-KBAYOESNSA-N -1 1 377.485 2.079 20 0 GEADMM CC[C@@H]1CN(C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)CCN1C[C@H](C)O ZINC000826682970 603059501 /nfs/dbraw/zinc/05/95/01/603059501.db2.gz RCXRTXBNADLJDI-JQHSSLGASA-N -1 1 377.485 2.079 20 0 GEADMM CC(C)(C)SCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824124628 607604087 /nfs/dbraw/zinc/60/40/87/607604087.db2.gz XBVVOQFKJMKPLX-UHFFFAOYSA-N -1 1 375.907 2.330 20 0 GEADMM CC(C)(C)SCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824124628 607604089 /nfs/dbraw/zinc/60/40/89/607604089.db2.gz XBVVOQFKJMKPLX-UHFFFAOYSA-N -1 1 375.907 2.330 20 0 GEADMM O=S(=O)(NC1CCSCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488967 607604314 /nfs/dbraw/zinc/60/43/14/607604314.db2.gz DPLPMWQJHOZCSA-UHFFFAOYSA-N -1 1 393.416 2.059 20 0 GEADMM O=C([O-])NC[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000740610057 603078971 /nfs/dbraw/zinc/07/89/71/603078971.db2.gz FRKFAQDFTYFZOA-KRWDZBQOSA-N -1 1 378.448 2.136 20 0 GEADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000739206199 603120792 /nfs/dbraw/zinc/12/07/92/603120792.db2.gz YCEFBYAMABISMR-SUMWQHHRSA-N -1 1 393.459 2.410 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nc(C)cs1 ZINC000825148097 607610056 /nfs/dbraw/zinc/61/00/56/607610056.db2.gz OJLSFGJJXKGAIG-JTQLQIEISA-N -1 1 382.446 2.200 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148097 607610057 /nfs/dbraw/zinc/61/00/57/607610057.db2.gz OJLSFGJJXKGAIG-JTQLQIEISA-N -1 1 382.446 2.200 20 0 GEADMM COc1ccccc1-c1ccc(CNCC(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000829582092 603160263 /nfs/dbraw/zinc/16/02/63/603160263.db2.gz XPBBGBQTXCCTAT-UHFFFAOYSA-N -1 1 383.448 2.274 20 0 GEADMM Cc1c(Br)ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1N ZINC000826234041 607611399 /nfs/dbraw/zinc/61/13/99/607611399.db2.gz FTZYPIBKBIINGL-UHFFFAOYSA-N -1 1 389.213 2.272 20 0 GEADMM Cc1c(Br)ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1N ZINC000826234041 607611400 /nfs/dbraw/zinc/61/14/00/607611400.db2.gz FTZYPIBKBIINGL-UHFFFAOYSA-N -1 1 389.213 2.272 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000824114312 607613119 /nfs/dbraw/zinc/61/31/19/607613119.db2.gz OCIAALNKXOWZJN-CYBMUJFWSA-N -1 1 390.444 2.244 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000824114312 607613120 /nfs/dbraw/zinc/61/31/20/607613120.db2.gz OCIAALNKXOWZJN-CYBMUJFWSA-N -1 1 390.444 2.244 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@H]2CCN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739893834 603204106 /nfs/dbraw/zinc/20/41/06/603204106.db2.gz CFFTUPCGJQMVSP-WMZOPIPTSA-N -1 1 375.469 2.338 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000824157176 607616021 /nfs/dbraw/zinc/61/60/21/607616021.db2.gz BTVXAIFCJXUVBU-UHFFFAOYSA-N -1 1 381.458 2.323 20 0 GEADMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000740570155 603239587 /nfs/dbraw/zinc/23/95/87/603239587.db2.gz QRBFRNCTNUXECO-MSOLQXFVSA-N -1 1 388.512 2.141 20 0 GEADMM CCc1ncsc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825754581 607616985 /nfs/dbraw/zinc/61/69/85/607616985.db2.gz DRKKSRSGPKWFRL-UHFFFAOYSA-N -1 1 397.468 2.116 20 0 GEADMM CCc1ncsc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825754581 607616986 /nfs/dbraw/zinc/61/69/86/607616986.db2.gz DRKKSRSGPKWFRL-UHFFFAOYSA-N -1 1 397.468 2.116 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000827227527 603259990 /nfs/dbraw/zinc/25/99/90/603259990.db2.gz DUNISMJXHLMPJX-OAHLLOKOSA-N -1 1 375.473 2.092 20 0 GEADMM O=S(=O)(N[C@@H]1CSc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489041 607619112 /nfs/dbraw/zinc/61/91/12/607619112.db2.gz GKCWUZJKQDUMAF-LLVKDONJSA-N -1 1 377.426 2.131 20 0 GEADMM O=S(=O)(N[C@@H]1CSc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489041 607619114 /nfs/dbraw/zinc/61/91/14/607619114.db2.gz GKCWUZJKQDUMAF-LLVKDONJSA-N -1 1 377.426 2.131 20 0 GEADMM CN1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC000826033579 607619853 /nfs/dbraw/zinc/61/98/53/607619853.db2.gz HPSVDMFNNDLOTB-UHFFFAOYSA-N -1 1 388.428 2.041 20 0 GEADMM CN1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC000826033579 607619854 /nfs/dbraw/zinc/61/98/54/607619854.db2.gz HPSVDMFNNDLOTB-UHFFFAOYSA-N -1 1 388.428 2.041 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)C[C@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000830511284 603318600 /nfs/dbraw/zinc/31/86/00/603318600.db2.gz GKHCBLPAVZCLND-LJQANCHMSA-N -1 1 388.512 2.156 20 0 GEADMM C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739058846 603324782 /nfs/dbraw/zinc/32/47/82/603324782.db2.gz HQNFUOHPAUXNBG-JKSUJKDBSA-N -1 1 385.468 2.415 20 0 GEADMM CCN(Cc1ccccc1NC(=O)NCC(C)(C)N1CCN(C)CC1)C(=O)[O-] ZINC000739447758 603355369 /nfs/dbraw/zinc/35/53/69/603355369.db2.gz OJEYEUFQRDMBDX-UHFFFAOYSA-N -1 1 391.516 2.334 20 0 GEADMM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NC[C@H](c1ccco1)N1CCCCC1 ZINC000740361152 603382439 /nfs/dbraw/zinc/38/24/39/603382439.db2.gz AQKGTWCHRJAQMY-JKSUJKDBSA-N -1 1 379.457 2.082 20 0 GEADMM CN(C)C[C@H](NC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739608491 603383725 /nfs/dbraw/zinc/38/37/25/603383725.db2.gz SAQJPGYOPOXAJW-INIZCTEOSA-N -1 1 388.399 2.273 20 0 GEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000738954115 603414058 /nfs/dbraw/zinc/41/40/58/603414058.db2.gz UVNXHDNAWJHNMZ-YXWQFLTLSA-N -1 1 391.468 2.002 20 0 GEADMM Cc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1NC(=O)[O-] ZINC000830220053 603419489 /nfs/dbraw/zinc/41/94/89/603419489.db2.gz MSZPDBNOCWQVJF-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)N2CCCC2)c1 ZINC000829544041 603426855 /nfs/dbraw/zinc/42/68/55/603426855.db2.gz RJUMBMXDDPXGPC-RYRKJORJSA-N -1 1 375.469 2.385 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)N2CCCC2)c1 ZINC000829544038 603427002 /nfs/dbraw/zinc/42/70/02/603427002.db2.gz RJUMBMXDDPXGPC-BQFCYCMXSA-N -1 1 375.469 2.385 20 0 GEADMM C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824706047 607630728 /nfs/dbraw/zinc/63/07/28/607630728.db2.gz GFUIGXBUUNXPKA-NSHDSACASA-N -1 1 399.904 2.224 20 0 GEADMM C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824706047 607630729 /nfs/dbraw/zinc/63/07/29/607630729.db2.gz GFUIGXBUUNXPKA-NSHDSACASA-N -1 1 399.904 2.224 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000831998597 603482119 /nfs/dbraw/zinc/48/21/19/603482119.db2.gz VFANJPKKUSGIRX-UWVGGRQHSA-N -1 1 388.540 2.442 20 0 GEADMM CN(Cc1cccc(NC(=O)N2CCN(C3CCOCC3)CC2)c1)C(=O)[O-] ZINC000828375558 603553626 /nfs/dbraw/zinc/55/36/26/603553626.db2.gz LRJPPEJTKCZPLW-UHFFFAOYSA-N -1 1 376.457 2.125 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)CCCCC2)CCO1 ZINC000825734183 603585100 /nfs/dbraw/zinc/58/51/00/603585100.db2.gz LBQCPVZPHNHORO-JKSUJKDBSA-N -1 1 381.517 2.353 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1)N1CCCC1 ZINC000829598561 603613503 /nfs/dbraw/zinc/61/35/03/603613503.db2.gz PKZVOBDGGSKNDT-DOTOQJQBSA-N -1 1 390.484 2.226 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)NC(=O)[O-] ZINC000829597995 603623305 /nfs/dbraw/zinc/62/33/05/603623305.db2.gz MJMCVIJFYLGWPN-INIZCTEOSA-N -1 1 387.440 2.316 20 0 GEADMM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(C)CC(C)(C)CNC(=O)[O-] ZINC000825077417 603624262 /nfs/dbraw/zinc/62/42/62/603624262.db2.gz YUKGXFKGDRHWGE-UONOGXRCSA-N -1 1 393.484 2.249 20 0 GEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000824196070 603635824 /nfs/dbraw/zinc/63/58/24/603635824.db2.gz GMQZKKHJHSZJHM-ZDUSSCGKSA-N -1 1 378.408 2.092 20 0 GEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000824196070 603635830 /nfs/dbraw/zinc/63/58/30/603635830.db2.gz GMQZKKHJHSZJHM-ZDUSSCGKSA-N -1 1 378.408 2.092 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)CC1CN(C(=O)[O-])C1)N1CCCCC1 ZINC000829591069 603674958 /nfs/dbraw/zinc/67/49/58/603674958.db2.gz APNLSAWHUGGHMB-QGZVFWFLSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])NC[C@H]1CCCN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000832550581 603702134 /nfs/dbraw/zinc/70/21/34/603702134.db2.gz CABOZWVCGSPIHE-QGZVFWFLSA-N -1 1 378.448 2.232 20 0 GEADMM CC[C@@](C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nc(C)cs1 ZINC000825044876 607646771 /nfs/dbraw/zinc/64/67/71/607646771.db2.gz UUSHCUYCJKNWSB-OAHLLOKOSA-N -1 1 396.473 2.374 20 0 GEADMM CC[C@@](C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825044876 607646773 /nfs/dbraw/zinc/64/67/73/607646773.db2.gz UUSHCUYCJKNWSB-OAHLLOKOSA-N -1 1 396.473 2.374 20 0 GEADMM CC(C)NC(=O)c1ccccc1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000824381247 603834940 /nfs/dbraw/zinc/83/49/40/603834940.db2.gz FPZURKYGDIGQIX-UHFFFAOYSA-N -1 1 390.484 2.274 20 0 GEADMM CN(CC(=O)Nc1ccc(Br)cn1)C1CCC(NC(=O)[O-])CC1 ZINC000828115469 603836237 /nfs/dbraw/zinc/83/62/37/603836237.db2.gz UXAXYBJEIIVBNU-UHFFFAOYSA-N -1 1 385.262 2.293 20 0 GEADMM CC(C)[C@H](CCN(C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)[O-] ZINC000824098414 603852052 /nfs/dbraw/zinc/85/20/52/603852052.db2.gz HKIVYQGMORJJTI-YPMHNXCESA-N -1 1 377.445 2.210 20 0 GEADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCCC2 ZINC000825583644 607656130 /nfs/dbraw/zinc/65/61/30/607656130.db2.gz VWININKGTRIAQQ-KBPBESRZSA-N -1 1 395.460 2.022 20 0 GEADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCCC2 ZINC000825583644 607656131 /nfs/dbraw/zinc/65/61/31/607656131.db2.gz VWININKGTRIAQQ-KBPBESRZSA-N -1 1 395.460 2.022 20 0 GEADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCCC2 ZINC000825581839 607656394 /nfs/dbraw/zinc/65/63/94/607656394.db2.gz DYGSYGCAAOVLDI-HUUCEWRRSA-N -1 1 395.460 2.022 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1)N1CCCC1 ZINC000829597047 603887818 /nfs/dbraw/zinc/88/78/18/603887818.db2.gz DSWSZGREQXYZBR-RDJZCZTQSA-N -1 1 390.484 2.226 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])N2CCCC2)c1 ZINC000829542718 603889812 /nfs/dbraw/zinc/88/98/12/603889812.db2.gz AZBOCUSBXOPMRS-AEFFLSMTSA-N -1 1 390.484 2.274 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)N2CCCC2)c1 ZINC000829543204 603890423 /nfs/dbraw/zinc/89/04/23/603890423.db2.gz GLFUDNYKXPBFKR-YJBOKZPZSA-N -1 1 390.484 2.226 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829544278 603890683 /nfs/dbraw/zinc/89/06/83/603890683.db2.gz USCZGFQXHNIXOW-JQHSSLGASA-N -1 1 392.500 2.424 20 0 GEADMM Cc1noc2ncc(C(=O)Nc3ccc(-c4nc(CNC(=O)[O-])n[nH]4)cc3)cc12 ZINC000830929781 603909001 /nfs/dbraw/zinc/90/90/01/603909001.db2.gz JOEIBJWCVNPXNW-UHFFFAOYSA-N -1 1 393.363 2.336 20 0 GEADMM Cc1noc2ncc(C(=O)Nc3ccc(-c4n[nH]c(CNC(=O)[O-])n4)cc3)cc12 ZINC000830929781 603909007 /nfs/dbraw/zinc/90/90/07/603909007.db2.gz JOEIBJWCVNPXNW-UHFFFAOYSA-N -1 1 393.363 2.336 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3COc4ccccc43)cc2)n1 ZINC000832730590 603910599 /nfs/dbraw/zinc/91/05/99/603910599.db2.gz VPRLBUUGBGFLLO-CQSZACIVSA-N -1 1 379.376 2.354 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3COc4ccccc43)cc2)n[nH]1 ZINC000832730590 603910602 /nfs/dbraw/zinc/91/06/02/603910602.db2.gz VPRLBUUGBGFLLO-CQSZACIVSA-N -1 1 379.376 2.354 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cc(-c4ccoc4)[nH]n3)cc2)n1 ZINC000832729930 603913546 /nfs/dbraw/zinc/91/35/46/603913546.db2.gz LHVIRBQFHMQNFL-UHFFFAOYSA-N -1 1 393.363 2.475 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cc(-c4ccoc4)[nH]n3)cc2)n[nH]1 ZINC000832729930 603913549 /nfs/dbraw/zinc/91/35/49/603913549.db2.gz LHVIRBQFHMQNFL-UHFFFAOYSA-N -1 1 393.363 2.475 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000832514554 603920098 /nfs/dbraw/zinc/92/00/98/603920098.db2.gz NIESQYVLKCWKLG-ZYHUDNBSSA-N -1 1 376.438 2.180 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)c1c(C)n[nH]c1C(F)(F)F)NC(=O)[O-] ZINC000829599425 603935037 /nfs/dbraw/zinc/93/50/37/603935037.db2.gz VFILYQNGNXAQIC-SNVBAGLBSA-N -1 1 386.330 2.484 20 0 GEADMM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000832349383 603939845 /nfs/dbraw/zinc/93/98/45/603939845.db2.gz DDBAHWIFFFLIDV-MSOLQXFVSA-N -1 1 381.517 2.164 20 0 GEADMM CCCc1nnc([C@@H]2CN(C(=O)[C@H]3CCCCCC[C@H]3NC(=O)[O-])CCO2)[nH]1 ZINC000826954721 603952106 /nfs/dbraw/zinc/95/21/06/603952106.db2.gz VBFCXLMUTDXCRX-ZNMIVQPWSA-N -1 1 393.488 2.264 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCCCCC[C@H]3NC(=O)[O-])CCO2)n1 ZINC000826954721 603952108 /nfs/dbraw/zinc/95/21/08/603952108.db2.gz VBFCXLMUTDXCRX-ZNMIVQPWSA-N -1 1 393.488 2.264 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1F ZINC000829355316 603984311 /nfs/dbraw/zinc/98/43/11/603984311.db2.gz ANFAQGSMTVSJNF-IMJJTQAJSA-N -1 1 393.459 2.398 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000827418866 603991867 /nfs/dbraw/zinc/99/18/67/603991867.db2.gz UVELVIDPAZZENQ-HXUWFJFHSA-N -1 1 390.484 2.166 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CC1CCC1)CC(F)(F)F ZINC000826495463 607664754 /nfs/dbraw/zinc/66/47/54/607664754.db2.gz PXJFBULNTOQWPJ-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CC1CCC1)CC(F)(F)F ZINC000826495463 607664755 /nfs/dbraw/zinc/66/47/55/607664755.db2.gz PXJFBULNTOQWPJ-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000824166813 607664864 /nfs/dbraw/zinc/66/48/64/607664864.db2.gz KWPDNRLXJACNRK-UHFFFAOYSA-N -1 1 397.382 2.498 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824166813 607664865 /nfs/dbraw/zinc/66/48/65/607664865.db2.gz KWPDNRLXJACNRK-UHFFFAOYSA-N -1 1 397.382 2.498 20 0 GEADMM CCS[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825669429 607665667 /nfs/dbraw/zinc/66/56/67/607665667.db2.gz XTRZEKZXPGSLEE-RYUDHWBXSA-N -1 1 385.490 2.348 20 0 GEADMM CCS[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825669429 607665668 /nfs/dbraw/zinc/66/56/68/607665668.db2.gz XTRZEKZXPGSLEE-RYUDHWBXSA-N -1 1 385.490 2.348 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000827418218 604014383 /nfs/dbraw/zinc/01/43/83/604014383.db2.gz KRVYOGNMWQWUCI-UHFFFAOYSA-N -1 1 378.473 2.212 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000825220265 604037028 /nfs/dbraw/zinc/03/70/28/604037028.db2.gz SBNJNQHIERZZOG-HRCADAONSA-N -1 1 378.473 2.494 20 0 GEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826282966 607669356 /nfs/dbraw/zinc/66/93/56/607669356.db2.gz HHGDBNKGPZSTTM-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826282966 607669358 /nfs/dbraw/zinc/66/93/58/607669358.db2.gz HHGDBNKGPZSTTM-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM CCOCCC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC000825589321 607671832 /nfs/dbraw/zinc/67/18/32/607671832.db2.gz DMYLTIIRVCRNFM-UHFFFAOYSA-N -1 1 397.476 2.271 20 0 GEADMM CCOCCC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC000825589321 607671834 /nfs/dbraw/zinc/67/18/34/607671834.db2.gz DMYLTIIRVCRNFM-UHFFFAOYSA-N -1 1 397.476 2.271 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(C)c1 ZINC000826203379 607675462 /nfs/dbraw/zinc/67/54/62/607675462.db2.gz LMQNEILUFAACBB-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM CCOCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000825589667 607675570 /nfs/dbraw/zinc/67/55/70/607675570.db2.gz ILBOWXRFMJFPHO-UHFFFAOYSA-N -1 1 399.904 2.395 20 0 GEADMM CCOCCC1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000825589667 607675572 /nfs/dbraw/zinc/67/55/72/607675572.db2.gz ILBOWXRFMJFPHO-UHFFFAOYSA-N -1 1 399.904 2.395 20 0 GEADMM O=S(=O)(N[C@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488846 607675934 /nfs/dbraw/zinc/67/59/34/607675934.db2.gz AHTACZFYYYNYIT-NSHDSACASA-N -1 1 397.888 2.290 20 0 GEADMM O=S(=O)(N[C@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488846 607675936 /nfs/dbraw/zinc/67/59/36/607675936.db2.gz AHTACZFYYYNYIT-NSHDSACASA-N -1 1 397.888 2.290 20 0 GEADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000740018513 604194043 /nfs/dbraw/zinc/19/40/43/604194043.db2.gz SPMUSBYHDKOYBO-UHFFFAOYSA-N -1 1 390.484 2.073 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000827418602 604203152 /nfs/dbraw/zinc/20/31/52/604203152.db2.gz QDPKDPZFYJCAFA-CQSZACIVSA-N -1 1 378.473 2.022 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3csc4cncn43)cc2)n1 ZINC000832730288 604208123 /nfs/dbraw/zinc/20/81/23/604208123.db2.gz RLEHNKIIBVJWSB-UHFFFAOYSA-N -1 1 383.393 2.201 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3csc4cncn43)cc2)n[nH]1 ZINC000832730288 604208124 /nfs/dbraw/zinc/20/81/24/604208124.db2.gz RLEHNKIIBVJWSB-UHFFFAOYSA-N -1 1 383.393 2.201 20 0 GEADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000833172847 604338483 /nfs/dbraw/zinc/33/84/83/604338483.db2.gz LDXPUJLAFOYGRO-QGZVFWFLSA-N -1 1 399.838 2.195 20 0 GEADMM CN1CCCC[C@H]1C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000830940257 604344612 /nfs/dbraw/zinc/34/46/12/604344612.db2.gz DXUCFDGZONZZMZ-DLBZAZTESA-N -1 1 379.888 2.094 20 0 GEADMM CCOCCN1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)C[C@H]1CC ZINC000827399669 604356250 /nfs/dbraw/zinc/35/62/50/604356250.db2.gz MGONCXGIKMLJIB-RCCFBDPRSA-N -1 1 383.533 2.362 20 0 GEADMM C[C@@H](Cc1ccc(O)cc1)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000827586460 604395593 /nfs/dbraw/zinc/39/55/93/604395593.db2.gz NBZIICPENWGYHK-YWZLYKJASA-N -1 1 382.460 2.293 20 0 GEADMM CC(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000444274284 649944285 /nfs/dbraw/zinc/94/42/85/649944285.db2.gz AEHGDVWVRLSXQS-LBPRGKRZSA-N -1 1 378.491 2.254 20 0 GEADMM O=S(=O)([N-]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(F)c(F)cc1F ZINC000826487518 607691653 /nfs/dbraw/zinc/69/16/53/607691653.db2.gz QUDAESVBJFEUBL-UHFFFAOYSA-N -1 1 395.366 2.252 20 0 GEADMM CC(C)CC[C@@H]1CCCCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000824233154 604434760 /nfs/dbraw/zinc/43/47/60/604434760.db2.gz VSJRYKRJUMPQBB-HNNXBMFYSA-N -1 1 380.489 2.299 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824257799 604440147 /nfs/dbraw/zinc/44/01/47/604440147.db2.gz VPMWMKCMCKCESM-YJBOKZPZSA-N -1 1 392.500 2.171 20 0 GEADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000827017538 604450031 /nfs/dbraw/zinc/45/00/31/604450031.db2.gz YUILUWYBMRCVPI-GFCCVEGCSA-N -1 1 384.230 2.276 20 0 GEADMM C[C@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833534524 604501342 /nfs/dbraw/zinc/50/13/42/604501342.db2.gz DERUALZDVCTPES-LBPRGKRZSA-N -1 1 394.387 2.032 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000826095749 604521904 /nfs/dbraw/zinc/52/19/04/604521904.db2.gz NBBHEHMWRJWDJN-WMZOPIPTSA-N -1 1 389.496 2.202 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000826095776 604531507 /nfs/dbraw/zinc/53/15/07/604531507.db2.gz NINBCJUUUGGNTP-SFHVURJKSA-N -1 1 389.496 2.345 20 0 GEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000828494367 604539922 /nfs/dbraw/zinc/53/99/22/604539922.db2.gz OLFVBKAEGCJLQP-CXAGYDPISA-N -1 1 383.452 2.406 20 0 GEADMM Cc1c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cnn1-c1cc(C)ccc1C ZINC000630226281 604546163 /nfs/dbraw/zinc/54/61/63/604546163.db2.gz UXGFPFMBPSARGZ-INIZCTEOSA-N -1 1 384.480 2.419 20 0 GEADMM C[C@@H](Oc1ccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1)C(=O)[O-] ZINC000833537031 604612367 /nfs/dbraw/zinc/61/23/67/604612367.db2.gz GFEFOHZVZVYQNH-UONOGXRCSA-N -1 1 392.477 2.379 20 0 GEADMM CN(C(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000833686567 604618452 /nfs/dbraw/zinc/61/84/52/604618452.db2.gz ZXUKFKYKXRCZJQ-JOCHJYFZSA-N -1 1 381.476 2.358 20 0 GEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)c1 ZINC000833317011 604623048 /nfs/dbraw/zinc/62/30/48/604623048.db2.gz KCADCUMXLJHCQY-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CC(=O)N1CCC(N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000833389775 604678685 /nfs/dbraw/zinc/67/86/85/604678685.db2.gz GGGNFXCUZDXVAW-GOSISDBHSA-N -1 1 379.888 2.094 20 0 GEADMM C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833550649 604694846 /nfs/dbraw/zinc/69/48/46/604694846.db2.gz YBEKNPVWJNMABT-AWEZNQCLSA-N -1 1 389.477 2.284 20 0 GEADMM C[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cn1)C1CCN(C(=O)[O-])CC1 ZINC000824684963 604717076 /nfs/dbraw/zinc/71/70/76/604717076.db2.gz HKMCIIBPNQPEOY-HNNXBMFYSA-N -1 1 389.500 2.188 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC(NC(=O)[O-])CC3)n2)cc1 ZINC000830160047 604717924 /nfs/dbraw/zinc/71/79/24/604717924.db2.gz LLIBPUJMSYDHIL-UHFFFAOYSA-N -1 1 375.454 2.131 20 0 GEADMM Cc1c(CN2CCSCC2)cccc1NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000829860163 604789393 /nfs/dbraw/zinc/78/93/93/604789393.db2.gz VOEKVHBGLWUNCL-INIZCTEOSA-N -1 1 393.509 2.251 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)n2)cc1 ZINC000830160480 604804698 /nfs/dbraw/zinc/80/46/98/604804698.db2.gz QYCXDYMZPUCNNT-ZDUSSCGKSA-N -1 1 389.481 2.378 20 0 GEADMM CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21)C1CCCCC1 ZINC000825376543 607716058 /nfs/dbraw/zinc/71/60/58/607716058.db2.gz JACKTDKQEULERT-UHFFFAOYSA-N -1 1 395.467 2.066 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccn(-c2ccccc2)n1 ZINC000826294999 607716423 /nfs/dbraw/zinc/71/64/23/607716423.db2.gz MRNGJCYCGKAQTC-UHFFFAOYSA-N -1 1 384.403 2.119 20 0 GEADMM CCCCN(CCCC)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825282688 607717411 /nfs/dbraw/zinc/71/74/11/607717411.db2.gz WJANYNPBYNKKMV-UHFFFAOYSA-N -1 1 397.483 2.314 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n2)cc1 ZINC000830160060 604835474 /nfs/dbraw/zinc/83/54/74/604835474.db2.gz MCUTWFAFGFRYLA-ZDUSSCGKSA-N -1 1 389.481 2.331 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC(N(C)C(=O)[O-])CC3)n2)cc1 ZINC000830159300 604848427 /nfs/dbraw/zinc/84/84/27/604848427.db2.gz FIRBDSKAFKYWDV-UHFFFAOYSA-N -1 1 389.481 2.473 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc3nccnc3c2)c(OC)c1C(=O)[O-] ZINC000833734784 604862089 /nfs/dbraw/zinc/86/20/89/604862089.db2.gz WTPVJSQOFCSFAZ-UHFFFAOYSA-N -1 1 389.389 2.146 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nc(C(F)(F)F)cs1 ZINC000826294781 607715149 /nfs/dbraw/zinc/71/51/49/607715149.db2.gz CAUKGAYBMPMYOM-UHFFFAOYSA-N -1 1 393.354 2.409 20 0 GEADMM CC(C)c1c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000833508326 604896422 /nfs/dbraw/zinc/89/64/22/604896422.db2.gz DUYYFZQVKHDDKW-INIZCTEOSA-N -1 1 385.399 2.284 20 0 GEADMM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000833290832 604918148 /nfs/dbraw/zinc/91/81/48/604918148.db2.gz SZCJXHJEVOBPAN-PKOBYXMFSA-N -1 1 383.448 2.389 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@@H](C)O1 ZINC000828448781 604927738 /nfs/dbraw/zinc/92/77/38/604927738.db2.gz GVFHQLRKTIRKLU-CHWSQXEVSA-N -1 1 399.875 2.424 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])n2)cc1 ZINC000830160306 604962799 /nfs/dbraw/zinc/96/27/99/604962799.db2.gz PSZVNZLQGFTRIP-ZIAGYGMSSA-N -1 1 389.481 2.425 20 0 GEADMM CCCc1nc([C@H]2CN(C(=O)C[C@@H](C)C3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000826954023 604966150 /nfs/dbraw/zinc/96/61/50/604966150.db2.gz NOUOMLYQJOVEHP-UKRRQHHQSA-N -1 1 393.488 2.073 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)C[C@@H](C)C3CCN(C(=O)[O-])CC3)CCO2)n1 ZINC000826954023 604966155 /nfs/dbraw/zinc/96/61/55/604966155.db2.gz NOUOMLYQJOVEHP-UKRRQHHQSA-N -1 1 393.488 2.073 20 0 GEADMM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000829069670 604979989 /nfs/dbraw/zinc/97/99/89/604979989.db2.gz QGOZJYYNVXUYOZ-KBXCAEBGSA-N -1 1 379.844 2.394 20 0 GEADMM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000833764139 604981525 /nfs/dbraw/zinc/98/15/25/604981525.db2.gz YQYNFZIECCRHFL-PZJWPPBQSA-N -1 1 396.487 2.317 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c(F)cc1F ZINC000833354561 605010721 /nfs/dbraw/zinc/01/07/21/605010721.db2.gz JLBAVQDDWMDVFP-SNVBAGLBSA-N -1 1 396.371 2.067 20 0 GEADMM CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833442615 605024347 /nfs/dbraw/zinc/02/43/47/605024347.db2.gz IEOSHZMXWMPVOH-HNNXBMFYSA-N -1 1 388.424 2.111 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CN1Cc1ccccc1 ZINC000833598177 605047085 /nfs/dbraw/zinc/04/70/85/605047085.db2.gz PBHJCNIKFZMZAE-UKRRQHHQSA-N -1 1 392.452 2.465 20 0 GEADMM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000833619079 605047274 /nfs/dbraw/zinc/04/72/74/605047274.db2.gz AVHLKWTXTRTCAT-ZWNOBZJWSA-N -1 1 380.491 2.361 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833597787 605047403 /nfs/dbraw/zinc/04/74/03/605047403.db2.gz MYXRFYVTDSMGKO-YJBOKZPZSA-N -1 1 388.489 2.467 20 0 GEADMM CC(=O)N1C[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)Oc2ccccc21 ZINC000833393946 605057596 /nfs/dbraw/zinc/05/75/96/605057596.db2.gz VZNWSBMCFRYBEC-OAHLLOKOSA-N -1 1 380.360 2.014 20 0 GEADMM CC(=O)N1C[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)Oc2ccccc21 ZINC000833393942 605057734 /nfs/dbraw/zinc/05/77/34/605057734.db2.gz VZNWSBMCFRYBEC-HNNXBMFYSA-N -1 1 380.360 2.014 20 0 GEADMM COC(=O)c1cc(NC(=O)CN[C@H](C)c2ccc(OC)cc2)cc(C(=O)[O-])c1 ZINC000833714085 605068091 /nfs/dbraw/zinc/06/80/91/605068091.db2.gz ARSAIPRRCOYAPU-GFCCVEGCSA-N -1 1 386.404 2.469 20 0 GEADMM CCc1ccc(-n2nc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c3c2CCC3)cc1 ZINC000833669792 605075961 /nfs/dbraw/zinc/07/59/61/605075961.db2.gz INJQLXSFNZALKR-KRWDZBQOSA-N -1 1 393.447 2.072 20 0 GEADMM CCCOc1ccc([C@@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000833651986 605077313 /nfs/dbraw/zinc/07/73/13/605077313.db2.gz JUVZRWDLWDNJHQ-CQSZACIVSA-N -1 1 378.469 2.458 20 0 GEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646170027 605091277 /nfs/dbraw/zinc/09/12/77/605091277.db2.gz XFELSHJTLMPVJF-DLBZAZTESA-N -1 1 389.496 2.172 20 0 GEADMM CC(C)C[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000833476586 605118984 /nfs/dbraw/zinc/11/89/84/605118984.db2.gz CYBHHXXZADNZME-PBHICJAKSA-N -1 1 375.469 2.080 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000833640559 605120610 /nfs/dbraw/zinc/12/06/10/605120610.db2.gz ZUQHWLPVETZULW-KSMMKXTCSA-N -1 1 375.469 2.080 20 0 GEADMM CC(C)(C)c1nnc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)s1 ZINC000823870369 605150343 /nfs/dbraw/zinc/15/03/43/605150343.db2.gz VZWMXGLZKCCADR-UHFFFAOYSA-N -1 1 381.502 2.381 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1COC1CCOCC1 ZINC000833622526 605158121 /nfs/dbraw/zinc/15/81/21/605158121.db2.gz BPUUDGFPUKZEHQ-MRXNPFEDSA-N -1 1 390.480 2.003 20 0 GEADMM CC(C)CC(=O)Nc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1F ZINC000833473134 605161396 /nfs/dbraw/zinc/16/13/96/605161396.db2.gz HHTWFRQOTKDYDH-AWEZNQCLSA-N -1 1 393.459 2.431 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)nn1-c1cccc(Cl)c1 ZINC000833742287 605222250 /nfs/dbraw/zinc/22/22/50/605222250.db2.gz ITADOFDAGJESAV-CQSZACIVSA-N -1 1 390.871 2.455 20 0 GEADMM Cc1ccc2nc([C@H]3CCCN(C(=O)C[C@H]4CN(C(=O)[O-])CCO4)C3)[nH]c2c1 ZINC000830432406 605286050 /nfs/dbraw/zinc/28/60/50/605286050.db2.gz FZNWZTWVQJPULE-GJZGRUSLSA-N -1 1 386.452 2.346 20 0 GEADMM Cc1ccc([C@H](CNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000830257781 605288690 /nfs/dbraw/zinc/28/86/90/605288690.db2.gz XWVUTWSDOLEIDT-CVEARBPZSA-N -1 1 379.457 2.000 20 0 GEADMM CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000544099159 605332121 /nfs/dbraw/zinc/33/21/21/605332121.db2.gz UQSVAQZSVMGOAI-UHFFFAOYSA-N -1 1 387.421 2.420 20 0 GEADMM CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833514062 605332941 /nfs/dbraw/zinc/33/29/41/605332941.db2.gz NVFXKHIIHWRJKI-UHFFFAOYSA-N -1 1 393.450 2.482 20 0 GEADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)C1 ZINC000833389273 605345560 /nfs/dbraw/zinc/34/55/60/605345560.db2.gz IYNPXVYOZLRMQM-JKSUJKDBSA-N -1 1 391.468 2.368 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C[C@@H]1CCCCC1(C)C ZINC000824999779 607750406 /nfs/dbraw/zinc/75/04/06/607750406.db2.gz JNOWAJQQINEYTO-GJZGRUSLSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C[C@@H]1CCCCC1(C)C ZINC000824999779 607750407 /nfs/dbraw/zinc/75/04/07/607750407.db2.gz JNOWAJQQINEYTO-GJZGRUSLSA-N -1 1 398.515 2.300 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)N(C)C)c1 ZINC000829544847 605372552 /nfs/dbraw/zinc/37/25/52/605372552.db2.gz YIOZZBVTPVRFJO-QRTARXTBSA-N -1 1 378.473 2.128 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CCCS(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000834179809 605432310 /nfs/dbraw/zinc/43/23/10/605432310.db2.gz ISOOJROJUUMQAJ-IAOVAPTHSA-N -1 1 384.473 2.358 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833547857 605452126 /nfs/dbraw/zinc/45/21/26/605452126.db2.gz FIONXDZWWNEGNK-OCCSQVGLSA-N -1 1 387.461 2.337 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)CC1 ZINC000827229146 605472931 /nfs/dbraw/zinc/47/29/31/605472931.db2.gz VJLCWPBEIBZABZ-JKSUJKDBSA-N -1 1 389.500 2.481 20 0 GEADMM O=C([O-])N1CCOC[C@@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000834051768 605539730 /nfs/dbraw/zinc/53/97/30/605539730.db2.gz MHUUFEOTDKSBFE-SECBINFHSA-N -1 1 379.594 2.125 20 0 GEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc(OC)c1C(C)C ZINC000833727088 605791110 /nfs/dbraw/zinc/79/11/10/605791110.db2.gz OWIIUKARKRCKBC-AWEZNQCLSA-N -1 1 378.469 2.448 20 0 GEADMM O=C([O-])N1CCC(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000834081676 605820248 /nfs/dbraw/zinc/82/02/48/605820248.db2.gz DVUJPOJLCXGDFL-OAHLLOKOSA-N -1 1 384.440 2.461 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3C(=O)[O-])CC2)CC1 ZINC000833603598 605918905 /nfs/dbraw/zinc/91/89/05/605918905.db2.gz LTGWOUUVWDWHMN-UHFFFAOYSA-N -1 1 391.443 2.185 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CN1C1CC1 ZINC000833598758 605937083 /nfs/dbraw/zinc/93/70/83/605937083.db2.gz XCBNXKYRACKBQX-ONGXEEELSA-N -1 1 399.369 2.084 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596107 605938625 /nfs/dbraw/zinc/93/86/25/605938625.db2.gz IMJXWGMGTPGVDE-XJKSGUPXSA-N -1 1 399.422 2.242 20 0 GEADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000834252579 605943783 /nfs/dbraw/zinc/94/37/83/605943783.db2.gz MWRYNMBUJHZJBA-KRWDZBQOSA-N -1 1 381.436 2.476 20 0 GEADMM O=C([O-])NC[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc2ccccc2c1 ZINC000834207204 605974295 /nfs/dbraw/zinc/97/42/95/605974295.db2.gz PAIAYDMKDQHWNN-QGZVFWFLSA-N -1 1 377.404 2.274 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834170312 605975867 /nfs/dbraw/zinc/97/58/67/605975867.db2.gz SUFOYUFIHYSIMB-GOEBONIOSA-N -1 1 375.469 2.408 20 0 GEADMM O=C(NCCc1ncc[nH]1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823229345 606018940 /nfs/dbraw/zinc/01/89/40/606018940.db2.gz MNSZMUUQIIFZOG-UHFFFAOYSA-N -1 1 393.382 2.494 20 0 GEADMM O=C(NCC1(O)CCC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823171419 606022322 /nfs/dbraw/zinc/02/23/22/606022322.db2.gz UNJHZFSXWSGBAH-UHFFFAOYSA-N -1 1 383.383 2.443 20 0 GEADMM O=C(NCC1(O)CCC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823171419 606022327 /nfs/dbraw/zinc/02/23/27/606022327.db2.gz UNJHZFSXWSGBAH-UHFFFAOYSA-N -1 1 383.383 2.443 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cccc(Cl)n1 ZINC000822458132 606067562 /nfs/dbraw/zinc/06/75/62/606067562.db2.gz CYRQLBUEJBMVMY-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cccc(Cl)n1 ZINC000822458132 606067567 /nfs/dbraw/zinc/06/75/67/606067567.db2.gz CYRQLBUEJBMVMY-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccco3)N3CCCC3)C[C@@H]21 ZINC000834176927 606073380 /nfs/dbraw/zinc/07/33/80/606073380.db2.gz RJDZMCUFVHEINE-TWMKSMIVSA-N -1 1 390.484 2.494 20 0 GEADMM COc1cc(NC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc(OC)c1 ZINC000821719382 606104103 /nfs/dbraw/zinc/10/41/03/606104103.db2.gz CZQPVFTWFSJQDY-UHFFFAOYSA-N -1 1 381.440 2.360 20 0 GEADMM COc1cc(NC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc(OC)c1 ZINC000821719382 606104105 /nfs/dbraw/zinc/10/41/05/606104105.db2.gz CZQPVFTWFSJQDY-UHFFFAOYSA-N -1 1 381.440 2.360 20 0 GEADMM Cc1sc(NC(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000822558365 606115972 /nfs/dbraw/zinc/11/59/72/606115972.db2.gz PGZGIZZYCNJHNN-SFHVURJKSA-N -1 1 390.513 2.376 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000820513413 606131846 /nfs/dbraw/zinc/13/18/46/606131846.db2.gz ZGRWDEHUKNVHJG-WISYIIOYSA-N -1 1 377.470 2.414 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000820513413 606131847 /nfs/dbraw/zinc/13/18/47/606131847.db2.gz ZGRWDEHUKNVHJG-WISYIIOYSA-N -1 1 377.470 2.414 20 0 GEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820564206 606132354 /nfs/dbraw/zinc/13/23/54/606132354.db2.gz ZBAKKJRXHQPCKR-SNVBAGLBSA-N -1 1 389.412 2.444 20 0 GEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820564206 606132356 /nfs/dbraw/zinc/13/23/56/606132356.db2.gz ZBAKKJRXHQPCKR-SNVBAGLBSA-N -1 1 389.412 2.444 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccc(Cl)cc1 ZINC000820512488 606135420 /nfs/dbraw/zinc/13/54/20/606135420.db2.gz LNCJXVWUNYKTGN-SECBINFHSA-N -1 1 391.840 2.443 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccc(Cl)cc1 ZINC000820512488 606135421 /nfs/dbraw/zinc/13/54/21/606135421.db2.gz LNCJXVWUNYKTGN-SECBINFHSA-N -1 1 391.840 2.443 20 0 GEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(C)o1 ZINC000821683861 606145427 /nfs/dbraw/zinc/14/54/27/606145427.db2.gz MCYSDFQQDNBDAN-ZDUSSCGKSA-N -1 1 397.844 2.088 20 0 GEADMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821609697 606156812 /nfs/dbraw/zinc/15/68/12/606156812.db2.gz IBLYSUDTPQSNRS-UHFFFAOYSA-N -1 1 380.334 2.283 20 0 GEADMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821609697 606156814 /nfs/dbraw/zinc/15/68/14/606156814.db2.gz IBLYSUDTPQSNRS-UHFFFAOYSA-N -1 1 380.334 2.283 20 0 GEADMM Cc1ccc(C(=O)C2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822225188 606157229 /nfs/dbraw/zinc/15/72/29/606157229.db2.gz RMVVTBXNIWKVHK-UHFFFAOYSA-N -1 1 394.439 2.035 20 0 GEADMM Cc1ccc(C(=O)C2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822225188 606157231 /nfs/dbraw/zinc/15/72/31/606157231.db2.gz RMVVTBXNIWKVHK-UHFFFAOYSA-N -1 1 394.439 2.035 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000822609394 606157678 /nfs/dbraw/zinc/15/76/78/606157678.db2.gz NEACLXLOTDAACW-GFCCVEGCSA-N -1 1 386.847 2.493 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000822609394 606157681 /nfs/dbraw/zinc/15/76/81/606157681.db2.gz NEACLXLOTDAACW-GFCCVEGCSA-N -1 1 386.847 2.493 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OC3CCCCC3)nc2)n1 ZINC000822620587 606167720 /nfs/dbraw/zinc/16/77/20/606167720.db2.gz XUOLTZHLBJSQMJ-UHFFFAOYSA-N -1 1 397.443 2.028 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OC3CCCCC3)nc2)n1 ZINC000822620587 606167721 /nfs/dbraw/zinc/16/77/21/606167721.db2.gz XUOLTZHLBJSQMJ-UHFFFAOYSA-N -1 1 397.443 2.028 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000820380747 606168247 /nfs/dbraw/zinc/16/82/47/606168247.db2.gz ZLDXFXQMCALFNN-QMMMGPOBSA-N -1 1 378.343 2.084 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000820380747 606168248 /nfs/dbraw/zinc/16/82/48/606168248.db2.gz ZLDXFXQMCALFNN-QMMMGPOBSA-N -1 1 378.343 2.084 20 0 GEADMM CC(C)CN(CCc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820087759 606171817 /nfs/dbraw/zinc/17/18/17/606171817.db2.gz ZEVBNVQKLRMBHB-UHFFFAOYSA-N -1 1 386.435 2.472 20 0 GEADMM CC(C)CN(CCc1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820087759 606171818 /nfs/dbraw/zinc/17/18/18/606171818.db2.gz ZEVBNVQKLRMBHB-UHFFFAOYSA-N -1 1 386.435 2.472 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2OC2CCCC2)n1 ZINC000822620595 606172447 /nfs/dbraw/zinc/17/24/47/606172447.db2.gz YHMLNXAPQUDCJW-UHFFFAOYSA-N -1 1 382.428 2.243 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2OC2CCCC2)n1 ZINC000822620595 606172448 /nfs/dbraw/zinc/17/24/48/606172448.db2.gz YHMLNXAPQUDCJW-UHFFFAOYSA-N -1 1 382.428 2.243 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)c2ccc(F)cc2Cl)n1 ZINC000822614799 606173308 /nfs/dbraw/zinc/17/33/08/606173308.db2.gz SKCUEOOSULULCU-UHFFFAOYSA-N -1 1 392.826 2.492 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)c2ccc(F)cc2Cl)n1 ZINC000822614799 606173310 /nfs/dbraw/zinc/17/33/10/606173310.db2.gz SKCUEOOSULULCU-UHFFFAOYSA-N -1 1 392.826 2.492 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(CSc2nc[nH]n2)cc1 ZINC000823294798 606195920 /nfs/dbraw/zinc/19/59/20/606195920.db2.gz RQLFDHYDVIKVCN-UHFFFAOYSA-N -1 1 394.420 2.235 20 0 GEADMM O=C(c1cc(F)ccc1[O-])N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823472565 606197937 /nfs/dbraw/zinc/19/79/37/606197937.db2.gz QUALHNKDWGLVPI-UHFFFAOYSA-N -1 1 383.383 2.395 20 0 GEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820726670 606201739 /nfs/dbraw/zinc/20/17/39/606201739.db2.gz AFPCEYDAEOWJTM-HWPZZCPQSA-N -1 1 388.428 2.003 20 0 GEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820726670 606201741 /nfs/dbraw/zinc/20/17/41/606201741.db2.gz AFPCEYDAEOWJTM-HWPZZCPQSA-N -1 1 388.428 2.003 20 0 GEADMM CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000819898690 606296136 /nfs/dbraw/zinc/29/61/36/606296136.db2.gz HYELVWWNANWKKZ-UHFFFAOYSA-N -1 1 394.435 2.487 20 0 GEADMM O=C(NCc1csc(CCc2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823266045 606296361 /nfs/dbraw/zinc/29/63/61/606296361.db2.gz KVFUOOPFBMJVTC-UHFFFAOYSA-N -1 1 391.460 2.433 20 0 GEADMM O=C(NCc1csc(CCc2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823266045 606296363 /nfs/dbraw/zinc/29/63/63/606296363.db2.gz KVFUOOPFBMJVTC-UHFFFAOYSA-N -1 1 391.460 2.433 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000823294892 606297056 /nfs/dbraw/zinc/29/70/56/606297056.db2.gz WMJVMZFYXOLQAR-UHFFFAOYSA-N -1 1 382.771 2.059 20 0 GEADMM O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822986343 606297962 /nfs/dbraw/zinc/29/79/62/606297962.db2.gz DKHCTIYHIFOQHH-UHFFFAOYSA-N -1 1 377.364 2.194 20 0 GEADMM O=C(C[C@H](c1ccccc1)N1CCOC1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822934635 606298074 /nfs/dbraw/zinc/29/80/74/606298074.db2.gz ARUCGJMGCLQXQB-OAHLLOKOSA-N -1 1 394.391 2.094 20 0 GEADMM CC[C@@H](O)CCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820932121 606323251 /nfs/dbraw/zinc/32/32/51/606323251.db2.gz KWXNHCRXDYSWAJ-LLVKDONJSA-N -1 1 376.486 2.142 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822457986 606355020 /nfs/dbraw/zinc/35/50/20/606355020.db2.gz BKGVNFUZFJMMQY-LBPRGKRZSA-N -1 1 393.407 2.079 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000822486477 606381515 /nfs/dbraw/zinc/38/15/15/606381515.db2.gz LAXVUZKGJVAWQJ-CQSZACIVSA-N -1 1 382.424 2.221 20 0 GEADMM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000820876151 606393352 /nfs/dbraw/zinc/39/33/52/606393352.db2.gz MNCJVANHQRLPKD-OQPBUACISA-N -1 1 376.442 2.240 20 0 GEADMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=S)N1 ZINC000820633553 606395026 /nfs/dbraw/zinc/39/50/26/606395026.db2.gz CHLOFZJQBTWBIE-AWEZNQCLSA-N -1 1 397.489 2.360 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823791576 606421949 /nfs/dbraw/zinc/42/19/49/606421949.db2.gz FOESZTUSNJUUIO-GFCCVEGCSA-N -1 1 389.423 2.454 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000823791576 606421951 /nfs/dbraw/zinc/42/19/51/606421951.db2.gz FOESZTUSNJUUIO-GFCCVEGCSA-N -1 1 389.423 2.454 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000820770163 606432475 /nfs/dbraw/zinc/43/24/75/606432475.db2.gz ZDNGWWDGOUURPB-DTORHVGOSA-N -1 1 375.376 2.162 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821066136 606458846 /nfs/dbraw/zinc/45/88/46/606458846.db2.gz QXMNYUCTUOPGKV-NEPJUHHUSA-N -1 1 377.880 2.436 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821066136 606458848 /nfs/dbraw/zinc/45/88/48/606458848.db2.gz QXMNYUCTUOPGKV-NEPJUHHUSA-N -1 1 377.880 2.436 20 0 GEADMM CCN1C[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)Oc2ccccc21 ZINC000821239712 606496618 /nfs/dbraw/zinc/49/66/18/606496618.db2.gz CCUKGOLRXLOYKC-LBPRGKRZSA-N -1 1 384.465 2.288 20 0 GEADMM CCN1C[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)Oc2ccccc21 ZINC000821239712 606496620 /nfs/dbraw/zinc/49/66/20/606496620.db2.gz CCUKGOLRXLOYKC-LBPRGKRZSA-N -1 1 384.465 2.288 20 0 GEADMM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821476897 606507307 /nfs/dbraw/zinc/50/73/07/606507307.db2.gz TWLRHCNQCAIFRL-UHFFFAOYSA-N -1 1 396.476 2.089 20 0 GEADMM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821476897 606507309 /nfs/dbraw/zinc/50/73/09/606507309.db2.gz TWLRHCNQCAIFRL-UHFFFAOYSA-N -1 1 396.476 2.089 20 0 GEADMM COCCOc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000821693008 606508638 /nfs/dbraw/zinc/50/86/38/606508638.db2.gz NHUNGPQELMTRGP-UHFFFAOYSA-N -1 1 375.410 2.214 20 0 GEADMM COCCOc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000821693008 606508639 /nfs/dbraw/zinc/50/86/39/606508639.db2.gz NHUNGPQELMTRGP-UHFFFAOYSA-N -1 1 375.410 2.214 20 0 GEADMM Cc1cccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)N2CCOCC2)c1 ZINC000822289062 606510363 /nfs/dbraw/zinc/51/03/63/606510363.db2.gz QLMXORNKJOPROT-OAHLLOKOSA-N -1 1 398.492 2.040 20 0 GEADMM Cc1cccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)N2CCOCC2)c1 ZINC000822289062 606510364 /nfs/dbraw/zinc/51/03/64/606510364.db2.gz QLMXORNKJOPROT-OAHLLOKOSA-N -1 1 398.492 2.040 20 0 GEADMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)nc1 ZINC000822242151 606515418 /nfs/dbraw/zinc/51/54/18/606515418.db2.gz BROQBGGRUSXAFN-LBPRGKRZSA-N -1 1 397.464 2.123 20 0 GEADMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)nc1 ZINC000822242151 606515419 /nfs/dbraw/zinc/51/54/19/606515419.db2.gz BROQBGGRUSXAFN-LBPRGKRZSA-N -1 1 397.464 2.123 20 0 GEADMM Cc1cscc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822414602 606524546 /nfs/dbraw/zinc/52/45/46/606524546.db2.gz MWMRGKPWDIYQPL-UHFFFAOYSA-N -1 1 385.453 2.064 20 0 GEADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000821658572 606533115 /nfs/dbraw/zinc/53/31/15/606533115.db2.gz AWMBBUYEBPJSHL-NSHDSACASA-N -1 1 375.385 2.102 20 0 GEADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000821658572 606533117 /nfs/dbraw/zinc/53/31/17/606533117.db2.gz AWMBBUYEBPJSHL-NSHDSACASA-N -1 1 375.385 2.102 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(N2CCOC2=O)c1 ZINC000820391138 606535462 /nfs/dbraw/zinc/53/54/62/606535462.db2.gz NNXWDIRGHGLLFC-SNVBAGLBSA-N -1 1 384.421 2.376 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(N2CCOC2=O)c1 ZINC000820391138 606535464 /nfs/dbraw/zinc/53/54/64/606535464.db2.gz NNXWDIRGHGLLFC-SNVBAGLBSA-N -1 1 384.421 2.376 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821016641 606540696 /nfs/dbraw/zinc/54/06/96/606540696.db2.gz YDZCFSLOKDVKFH-VXGBXAGGSA-N -1 1 376.486 2.085 20 0 GEADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821016641 606540698 /nfs/dbraw/zinc/54/06/98/606540698.db2.gz YDZCFSLOKDVKFH-VXGBXAGGSA-N -1 1 376.486 2.085 20 0 GEADMM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822226161 606547705 /nfs/dbraw/zinc/54/77/05/606547705.db2.gz FNLPUHPEHCLLEF-UHFFFAOYSA-N -1 1 396.476 2.271 20 0 GEADMM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822226161 606547707 /nfs/dbraw/zinc/54/77/07/606547707.db2.gz FNLPUHPEHCLLEF-UHFFFAOYSA-N -1 1 396.476 2.271 20 0 GEADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821222180 606550241 /nfs/dbraw/zinc/55/02/41/606550241.db2.gz PVVPNGBBJPUOKU-UHFFFAOYSA-N -1 1 384.465 2.292 20 0 GEADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821222180 606550242 /nfs/dbraw/zinc/55/02/42/606550242.db2.gz PVVPNGBBJPUOKU-UHFFFAOYSA-N -1 1 384.465 2.292 20 0 GEADMM CCOC(=O)[C@@]1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCc2ccccc21 ZINC000821319656 606562072 /nfs/dbraw/zinc/56/20/72/606562072.db2.gz HAEPDHGSIUXYPX-GOSISDBHSA-N -1 1 383.433 2.063 20 0 GEADMM CCOC(=O)[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCc2ccccc21 ZINC000821319656 606562074 /nfs/dbraw/zinc/56/20/74/606562074.db2.gz HAEPDHGSIUXYPX-GOSISDBHSA-N -1 1 383.433 2.063 20 0 GEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000821573437 606564842 /nfs/dbraw/zinc/56/48/42/606564842.db2.gz QDZXGAAZPORYQF-ZDUSSCGKSA-N -1 1 382.449 2.196 20 0 GEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000821573437 606564844 /nfs/dbraw/zinc/56/48/44/606564844.db2.gz QDZXGAAZPORYQF-ZDUSSCGKSA-N -1 1 382.449 2.196 20 0 GEADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(C)C ZINC000821071500 606579232 /nfs/dbraw/zinc/57/92/32/606579232.db2.gz GOFMRLBQJZRONJ-CHWSQXEVSA-N -1 1 376.465 2.048 20 0 GEADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(C)C ZINC000821071500 606579233 /nfs/dbraw/zinc/57/92/33/606579233.db2.gz GOFMRLBQJZRONJ-CHWSQXEVSA-N -1 1 376.465 2.048 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821571788 606588792 /nfs/dbraw/zinc/58/87/92/606588792.db2.gz FLIYVDGKRDUYRB-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821571788 606588794 /nfs/dbraw/zinc/58/87/94/606588794.db2.gz FLIYVDGKRDUYRB-JTQLQIEISA-N -1 1 378.458 2.010 20 0 GEADMM O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166107 606596912 /nfs/dbraw/zinc/59/69/12/606596912.db2.gz FDLORADOYAWQRI-SNVBAGLBSA-N -1 1 383.355 2.410 20 0 GEADMM O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166107 606596913 /nfs/dbraw/zinc/59/69/13/606596913.db2.gz FDLORADOYAWQRI-SNVBAGLBSA-N -1 1 383.355 2.410 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000821308479 606599611 /nfs/dbraw/zinc/59/96/11/606599611.db2.gz BBRUPLHKDVDLBE-UHFFFAOYSA-N -1 1 386.437 2.302 20 0 GEADMM Cc1nn(Cc2coc(-c3ccc(Cl)cc3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822505663 606604197 /nfs/dbraw/zinc/60/41/97/606604197.db2.gz QONYDEWQNIJKIO-UHFFFAOYSA-N -1 1 383.799 2.397 20 0 GEADMM Cc1oc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccco3)C2)c(-c2nn[n-]n2)c1C ZINC000822542025 606632420 /nfs/dbraw/zinc/63/24/20/606632420.db2.gz SOGCFUDUPHFREE-RISCZKNCSA-N -1 1 386.412 2.070 20 0 GEADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000820822002 606633427 /nfs/dbraw/zinc/63/34/27/606633427.db2.gz WZAMYOUFKAYEJI-YPMHNXCESA-N -1 1 389.460 2.434 20 0 GEADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000820822002 606633428 /nfs/dbraw/zinc/63/34/28/606633428.db2.gz WZAMYOUFKAYEJI-YPMHNXCESA-N -1 1 389.460 2.434 20 0 GEADMM O=C(COCc1nc2ccccc2s1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823032324 606647483 /nfs/dbraw/zinc/64/74/83/606647483.db2.gz PTQIADOWBVNEKF-UHFFFAOYSA-N -1 1 382.405 2.131 20 0 GEADMM O=C(COCc1nc2ccccc2s1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823032324 606647484 /nfs/dbraw/zinc/64/74/84/606647484.db2.gz PTQIADOWBVNEKF-UHFFFAOYSA-N -1 1 382.405 2.131 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Oc2cnccn2)c1 ZINC000823436173 606647693 /nfs/dbraw/zinc/64/76/93/606647693.db2.gz KVTVRNIYRIACIG-UHFFFAOYSA-N -1 1 375.348 2.201 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Oc2cnccn2)c1 ZINC000823436173 606647694 /nfs/dbraw/zinc/64/76/94/606647694.db2.gz KVTVRNIYRIACIG-UHFFFAOYSA-N -1 1 375.348 2.201 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000823436241 606648995 /nfs/dbraw/zinc/64/89/95/606648995.db2.gz NFRXQQJWFULJGF-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000823436241 606648996 /nfs/dbraw/zinc/64/89/96/606648996.db2.gz NFRXQQJWFULJGF-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM CC(C)(C)C(=O)NCc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819899786 606650941 /nfs/dbraw/zinc/65/09/41/606650941.db2.gz ZCBWCANHDUTUCU-UHFFFAOYSA-N -1 1 394.435 2.281 20 0 GEADMM CC(C)(C)C(=O)NCc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819899786 606650942 /nfs/dbraw/zinc/65/09/42/606650942.db2.gz ZCBWCANHDUTUCU-UHFFFAOYSA-N -1 1 394.435 2.281 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN(CCO)c2ccccc2)c1-c1nn[n-]n1 ZINC000822486791 606660845 /nfs/dbraw/zinc/66/08/45/606660845.db2.gz SHWZJDRKRUSPBI-UHFFFAOYSA-N -1 1 375.436 2.360 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nnc2cc(C)ccn21 ZINC000822374452 606693640 /nfs/dbraw/zinc/69/36/40/606693640.db2.gz XNQCGNSEBMYDAB-UHFFFAOYSA-N -1 1 389.379 2.162 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nnc2cc(C)ccn21 ZINC000822374452 606693641 /nfs/dbraw/zinc/69/36/41/606693641.db2.gz XNQCGNSEBMYDAB-UHFFFAOYSA-N -1 1 389.379 2.162 20 0 GEADMM Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000822486503 606745969 /nfs/dbraw/zinc/74/59/69/606745969.db2.gz MBTWEFVDQURZTC-GFCCVEGCSA-N -1 1 381.318 2.072 20 0 GEADMM Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000822486503 606745971 /nfs/dbraw/zinc/74/59/71/606745971.db2.gz MBTWEFVDQURZTC-GFCCVEGCSA-N -1 1 381.318 2.072 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccccc1Cl ZINC000820788618 606767298 /nfs/dbraw/zinc/76/72/98/606767298.db2.gz KQUCMFTVUDOYOC-NSHDSACASA-N -1 1 399.846 2.053 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccccc1Cl ZINC000820788618 606767299 /nfs/dbraw/zinc/76/72/99/606767299.db2.gz KQUCMFTVUDOYOC-NSHDSACASA-N -1 1 399.846 2.053 20 0 GEADMM COc1ccccc1N1CC[C@H](Sc2nc(C)nc(C)c2-c2nn[n-]n2)C1=O ZINC000821896819 606792884 /nfs/dbraw/zinc/79/28/84/606792884.db2.gz BWFQYSSRNVRMJF-AWEZNQCLSA-N -1 1 397.464 2.180 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCOc2ccc3ccccc3c2)n1 ZINC000822614926 606806382 /nfs/dbraw/zinc/80/63/82/606806382.db2.gz XLMOYWDXSGXYCA-UHFFFAOYSA-N -1 1 392.423 2.344 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCOc2ccc3ccccc3c2)n1 ZINC000822614926 606806384 /nfs/dbraw/zinc/80/63/84/606806384.db2.gz XLMOYWDXSGXYCA-UHFFFAOYSA-N -1 1 392.423 2.344 20 0 GEADMM CN(C)c1ccc(-c2nn[nH]n2)c([N-]S(=O)(=O)C=Cc2ccc(F)cc2)c1 ZINC000821588267 606820191 /nfs/dbraw/zinc/82/01/91/606820191.db2.gz JYYPYIUJESAEHC-KTKRTIGZSA-N -1 1 388.428 2.484 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCCC1 ZINC000820220330 606821324 /nfs/dbraw/zinc/82/13/24/606821324.db2.gz QZCBICRUTYXKHS-HUUCEWRRSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCCC1 ZINC000820220330 606821325 /nfs/dbraw/zinc/82/13/25/606821325.db2.gz QZCBICRUTYXKHS-HUUCEWRRSA-N -1 1 398.515 2.300 20 0 GEADMM Cc1ccc(C)c(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822232175 606832037 /nfs/dbraw/zinc/83/20/37/606832037.db2.gz VUETWTHLUFPZBQ-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1ccc(C)c(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822232175 606832038 /nfs/dbraw/zinc/83/20/38/606832038.db2.gz VUETWTHLUFPZBQ-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1ccc(C)c(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822232174 606832280 /nfs/dbraw/zinc/83/22/80/606832280.db2.gz VUETWTHLUFPZBQ-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1ccc(C)c(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822232174 606832281 /nfs/dbraw/zinc/83/22/81/606832281.db2.gz VUETWTHLUFPZBQ-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(Cc1cccc(F)c1)C1CC1 ZINC000823601291 606842774 /nfs/dbraw/zinc/84/27/74/606842774.db2.gz ZEHPMPSBSSVMPP-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000823600965 606842872 /nfs/dbraw/zinc/84/28/72/606842872.db2.gz MXJWCMXISLHZNO-KCXRBIIJSA-N -1 1 377.445 2.205 20 0 GEADMM CC[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820903477 606854965 /nfs/dbraw/zinc/85/49/65/606854965.db2.gz VNPWXRZALGJBTB-GDBMZVCRSA-N -1 1 398.515 2.300 20 0 GEADMM CC[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820903477 606854966 /nfs/dbraw/zinc/85/49/66/606854966.db2.gz VNPWXRZALGJBTB-GDBMZVCRSA-N -1 1 398.515 2.300 20 0 GEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@H](C)CS(C)(=O)=O)n1 ZINC000822191337 606873097 /nfs/dbraw/zinc/87/30/97/606873097.db2.gz IUFKMKRYOHKKEN-ZETCQYMHSA-N -1 1 395.432 2.362 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC2(C1)CCCCCC2 ZINC000823606890 606875613 /nfs/dbraw/zinc/87/56/13/606875613.db2.gz OSYGUBCQQAWTNE-UHFFFAOYSA-N -1 1 395.460 2.120 20 0 GEADMM O[C@@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674863 606877406 /nfs/dbraw/zinc/87/74/06/606877406.db2.gz SNLQDDZFVYMQGB-NEPJUHHUSA-N -1 1 392.872 2.306 20 0 GEADMM O[C@@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674863 606877408 /nfs/dbraw/zinc/87/74/08/606877408.db2.gz SNLQDDZFVYMQGB-NEPJUHHUSA-N -1 1 392.872 2.306 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccc(F)c1 ZINC000819991297 606891800 /nfs/dbraw/zinc/89/18/00/606891800.db2.gz FIRKMRGJTMUSDM-UHFFFAOYSA-N -1 1 397.382 2.498 20 0 GEADMM COc1ccc(C(C)(C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000821772767 606896267 /nfs/dbraw/zinc/89/62/67/606896267.db2.gz OWOOHGXOIJHMJY-UHFFFAOYSA-N -1 1 383.408 2.300 20 0 GEADMM COc1ccc(C(C)(C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000821772767 606896269 /nfs/dbraw/zinc/89/62/69/606896269.db2.gz OWOOHGXOIJHMJY-UHFFFAOYSA-N -1 1 383.408 2.300 20 0 GEADMM COc1cc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)ccc1F ZINC000821703138 606951190 /nfs/dbraw/zinc/95/11/90/606951190.db2.gz QLGOCEQHBAHTQY-UHFFFAOYSA-N -1 1 389.343 2.020 20 0 GEADMM C[C@H]1CC[C@@H](CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820684587 607025375 /nfs/dbraw/zinc/02/53/75/607025375.db2.gz RNFDCJPQEALIPT-QWHCGFSZSA-N -1 1 385.472 2.207 20 0 GEADMM Cc1oc(NC(=O)CN2CCc3c(F)cc(F)cc3C2)c(-c2nn[n-]n2)c1C ZINC000822549026 607108589 /nfs/dbraw/zinc/10/85/89/607108589.db2.gz SBXNZIZJCZYTAT-UHFFFAOYSA-N -1 1 388.378 2.352 20 0 GEADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000819817649 607109730 /nfs/dbraw/zinc/10/97/30/607109730.db2.gz JQAGXCQCGRBRKR-QMMMGPOBSA-N -1 1 389.466 2.401 20 0 GEADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000819817649 607109731 /nfs/dbraw/zinc/10/97/31/607109731.db2.gz JQAGXCQCGRBRKR-QMMMGPOBSA-N -1 1 389.466 2.401 20 0 GEADMM CC(=O)c1cccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000819845938 607114418 /nfs/dbraw/zinc/11/44/18/607114418.db2.gz ZKPGGBZBNLGNQB-UHFFFAOYSA-N -1 1 383.364 2.075 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000821988232 607129022 /nfs/dbraw/zinc/12/90/22/607129022.db2.gz DDVGTGZHBNSWSU-GHMZBOCLSA-N -1 1 388.497 2.406 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823600084 607141693 /nfs/dbraw/zinc/14/16/93/607141693.db2.gz CLKFDNCSBREHQP-CQSZACIVSA-N -1 1 376.486 2.385 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823600084 607141694 /nfs/dbraw/zinc/14/16/94/607141694.db2.gz CLKFDNCSBREHQP-CQSZACIVSA-N -1 1 376.486 2.385 20 0 GEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[nH]n1 ZINC000821077359 607152136 /nfs/dbraw/zinc/15/21/36/607152136.db2.gz CCBBRZXDKRAEAB-UHFFFAOYSA-N -1 1 381.849 2.387 20 0 GEADMM Cc1c2ccccc2oc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC000822020318 607216780 /nfs/dbraw/zinc/21/67/80/607216780.db2.gz AFKSAJZCZWUDFI-HNNXBMFYSA-N -1 1 380.412 2.026 20 0 GEADMM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823356860 607225482 /nfs/dbraw/zinc/22/54/82/607225482.db2.gz PLEDDIVFOBSKPI-UHFFFAOYSA-N -1 1 397.420 2.158 20 0 GEADMM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823356860 607225483 /nfs/dbraw/zinc/22/54/83/607225483.db2.gz PLEDDIVFOBSKPI-UHFFFAOYSA-N -1 1 397.420 2.158 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCCOc2ccc3c(c2)CCCC3)n1 ZINC000822604282 607239209 /nfs/dbraw/zinc/23/92/09/607239209.db2.gz BMBAOJUGKJTZLG-UHFFFAOYSA-N -1 1 381.440 2.277 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCCOc2ccc3c(c2)CCCC3)n1 ZINC000822604282 607239210 /nfs/dbraw/zinc/23/92/10/607239210.db2.gz BMBAOJUGKJTZLG-UHFFFAOYSA-N -1 1 381.440 2.277 20 0 GEADMM COc1cccc(Br)c1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821854642 607240159 /nfs/dbraw/zinc/24/01/59/607240159.db2.gz PWAKKUVLNIKCPH-UHFFFAOYSA-N -1 1 376.170 2.252 20 0 GEADMM COc1cccc(Br)c1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821854642 607240160 /nfs/dbraw/zinc/24/01/60/607240160.db2.gz PWAKKUVLNIKCPH-UHFFFAOYSA-N -1 1 376.170 2.252 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn(-c2ccc(Cl)cc2)n1 ZINC000826450910 607781142 /nfs/dbraw/zinc/78/11/42/607781142.db2.gz IOYDOJLPFPUTPU-UHFFFAOYSA-N -1 1 382.771 2.059 20 0 GEADMM Cc1nc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)sc1C ZINC000826327046 607820344 /nfs/dbraw/zinc/82/03/44/607820344.db2.gz PWOZNSOXEXIOSL-UHFFFAOYSA-N -1 1 393.480 2.210 20 0 GEADMM Cc1nc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)sc1C ZINC000826327046 607820345 /nfs/dbraw/zinc/82/03/45/607820345.db2.gz PWOZNSOXEXIOSL-UHFFFAOYSA-N -1 1 393.480 2.210 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825059524 607856307 /nfs/dbraw/zinc/85/63/07/607856307.db2.gz GJFMYKAKHBYKDK-FZMZJTMJSA-N -1 1 390.444 2.244 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825059524 607856308 /nfs/dbraw/zinc/85/63/08/607856308.db2.gz GJFMYKAKHBYKDK-FZMZJTMJSA-N -1 1 390.444 2.244 20 0 GEADMM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000825627128 607862082 /nfs/dbraw/zinc/86/20/82/607862082.db2.gz UOMBVNPSWPMIDR-UHFFFAOYSA-N -1 1 382.380 2.182 20 0 GEADMM CN([C@H]1CCSC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825888279 607907665 /nfs/dbraw/zinc/90/76/65/607907665.db2.gz PPGPGLRVRLYOLP-VIFPVBQESA-N -1 1 393.416 2.012 20 0 GEADMM O=Cc1cc(F)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826483934 607907903 /nfs/dbraw/zinc/90/79/03/607907903.db2.gz GNGFTUPHWIQNHI-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)o3)nc2c1 ZINC000825417825 607973896 /nfs/dbraw/zinc/97/38/96/607973896.db2.gz WIIDNDFHOHGLSO-UHFFFAOYSA-N -1 1 387.425 2.034 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)o3)nc2c1 ZINC000825417825 607973897 /nfs/dbraw/zinc/97/38/97/607973897.db2.gz WIIDNDFHOHGLSO-UHFFFAOYSA-N -1 1 387.425 2.034 20 0 GEADMM O=S(=O)(c1ccc2[nH]c(-c3ccc(-c4nnn[n-]4)o3)nc2c1)C(F)(F)F ZINC000826495434 607974617 /nfs/dbraw/zinc/97/46/17/607974617.db2.gz PBKVRJKIUBMNFO-UHFFFAOYSA-N -1 1 384.299 2.297 20 0 GEADMM O=S(=O)(c1ccc2[nH]c(-c3ccc(-c4nn[n-]n4)o3)nc2c1)C(F)(F)F ZINC000826495434 607974618 /nfs/dbraw/zinc/97/46/18/607974618.db2.gz PBKVRJKIUBMNFO-UHFFFAOYSA-N -1 1 384.299 2.297 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824107947 607997822 /nfs/dbraw/zinc/99/78/22/607997822.db2.gz AAUPMVCFAGVXBB-RYUDHWBXSA-N -1 1 388.428 2.204 20 0 GEADMM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825242004 607998457 /nfs/dbraw/zinc/99/84/57/607998457.db2.gz GSSNLCGTTOVBHB-OAHLLOKOSA-N -1 1 394.435 2.038 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000826450860 607999160 /nfs/dbraw/zinc/99/91/60/607999160.db2.gz GYTZFVXYAWYBOU-MRXNPFEDSA-N -1 1 382.399 2.315 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000826424878 608013605 /nfs/dbraw/zinc/01/36/05/608013605.db2.gz HFPDPOXNEIKRPI-GFCCVEGCSA-N -1 1 394.420 2.096 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000826424878 608013606 /nfs/dbraw/zinc/01/36/06/608013606.db2.gz HFPDPOXNEIKRPI-GFCCVEGCSA-N -1 1 394.420 2.096 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCC(c1ccccc1)c1ccccc1 ZINC000826424822 608014635 /nfs/dbraw/zinc/01/46/35/608014635.db2.gz FCYDEHQJPVZMMH-UHFFFAOYSA-N -1 1 387.447 2.402 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCC(c1ccccc1)c1ccccc1 ZINC000826424822 608014636 /nfs/dbraw/zinc/01/46/36/608014636.db2.gz FCYDEHQJPVZMMH-UHFFFAOYSA-N -1 1 387.447 2.402 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000826424963 608014650 /nfs/dbraw/zinc/01/46/50/608014650.db2.gz KHLZLUJODWQNPO-UHFFFAOYSA-N -1 1 383.799 2.293 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000826424963 608014651 /nfs/dbraw/zinc/01/46/51/608014651.db2.gz KHLZLUJODWQNPO-UHFFFAOYSA-N -1 1 383.799 2.293 20 0 GEADMM Cc1ccc(Br)c(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826281334 608054214 /nfs/dbraw/zinc/05/42/14/608054214.db2.gz NDAKABWBYAPRPK-UHFFFAOYSA-N -1 1 395.242 2.133 20 0 GEADMM Cc1ccc(Br)c(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826281334 608054215 /nfs/dbraw/zinc/05/42/15/608054215.db2.gz NDAKABWBYAPRPK-UHFFFAOYSA-N -1 1 395.242 2.133 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000826280390 608054287 /nfs/dbraw/zinc/05/42/87/608054287.db2.gz ZYQJKHFDJNLNFE-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824465259 608123828 /nfs/dbraw/zinc/12/38/28/608123828.db2.gz NGNSVYGREMYGLQ-QMMMGPOBSA-N -1 1 388.844 2.187 20 0 GEADMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824465259 608123829 /nfs/dbraw/zinc/12/38/29/608123829.db2.gz NGNSVYGREMYGLQ-QMMMGPOBSA-N -1 1 388.844 2.187 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000826340511 608126775 /nfs/dbraw/zinc/12/67/75/608126775.db2.gz ATHIGSJCEMLRAV-UHFFFAOYSA-N -1 1 381.400 2.158 20 0 GEADMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000826163777 608149014 /nfs/dbraw/zinc/14/90/14/608149014.db2.gz KURUNOKWQJKMQA-UHFFFAOYSA-N -1 1 398.448 2.269 20 0 GEADMM CC(C)c1nc([C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)no1 ZINC000824358501 608179938 /nfs/dbraw/zinc/17/99/38/608179938.db2.gz MAJPCEAEVLEKDY-SSDOTTSWSA-N -1 1 382.837 2.061 20 0 GEADMM CC(C)c1nc([C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)no1 ZINC000824358501 608179936 /nfs/dbraw/zinc/17/99/36/608179936.db2.gz MAJPCEAEVLEKDY-SSDOTTSWSA-N -1 1 382.837 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000825923765 608211563 /nfs/dbraw/zinc/21/15/63/608211563.db2.gz UXTDVRPQWXJTCR-CQSZACIVSA-N -1 1 394.483 2.073 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000825923765 608211564 /nfs/dbraw/zinc/21/15/64/608211564.db2.gz UXTDVRPQWXJTCR-CQSZACIVSA-N -1 1 394.483 2.073 20 0 GEADMM CC(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC12CCCCC2 ZINC000823980975 608231135 /nfs/dbraw/zinc/23/11/35/608231135.db2.gz IAFBEIUJINONGF-UHFFFAOYSA-N -1 1 375.864 2.287 20 0 GEADMM CC(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC12CCCCC2 ZINC000823980975 608231137 /nfs/dbraw/zinc/23/11/37/608231137.db2.gz IAFBEIUJINONGF-UHFFFAOYSA-N -1 1 375.864 2.287 20 0 GEADMM CCc1nc2ccccc2n1C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000825749399 608241013 /nfs/dbraw/zinc/24/10/13/608241013.db2.gz DHWPIFOCPGPZMY-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM CCc1nc2ccccc2n1C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000825749399 608241015 /nfs/dbraw/zinc/24/10/15/608241015.db2.gz DHWPIFOCPGPZMY-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000826359204 608301713 /nfs/dbraw/zinc/30/17/13/608301713.db2.gz AAQDLQXUWCFTII-LIRRHRJNSA-N -1 1 390.451 2.241 20 0 GEADMM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000826359204 608301715 /nfs/dbraw/zinc/30/17/15/608301715.db2.gz AAQDLQXUWCFTII-LIRRHRJNSA-N -1 1 390.451 2.241 20 0 GEADMM NC(=O)c1cc(Oc2cccc(Oc3ncccc3-c3nn[n-]n3)c2)ccn1 ZINC000826393062 608305899 /nfs/dbraw/zinc/30/58/99/608305899.db2.gz ZZVNWSQRBRBPBL-UHFFFAOYSA-N -1 1 375.348 2.340 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN(C)[C@@H](C)C(=O)OC(C)C)c1-c1nn[n-]n1 ZINC000826331854 608316299 /nfs/dbraw/zinc/31/62/99/608316299.db2.gz ALSCLEHJNZUOCA-AWEZNQCLSA-N -1 1 383.456 2.133 20 0 GEADMM CCCC[C@@H](CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825261298 608338317 /nfs/dbraw/zinc/33/83/17/608338317.db2.gz WDSZXJBCZMUXNO-GFCCVEGCSA-N -1 1 390.492 2.089 20 0 GEADMM CCCC[C@@H](CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825261298 608338318 /nfs/dbraw/zinc/33/83/18/608338318.db2.gz WDSZXJBCZMUXNO-GFCCVEGCSA-N -1 1 390.492 2.089 20 0 GEADMM CC(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CC1 ZINC000823972808 608347813 /nfs/dbraw/zinc/34/78/13/608347813.db2.gz HEGABPHEXWOQRW-UHFFFAOYSA-N -1 1 376.486 2.423 20 0 GEADMM CC(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CC1 ZINC000823972808 608347815 /nfs/dbraw/zinc/34/78/15/608347815.db2.gz HEGABPHEXWOQRW-UHFFFAOYSA-N -1 1 376.486 2.423 20 0 GEADMM CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825395093 608390139 /nfs/dbraw/zinc/39/01/39/608390139.db2.gz KLUADTNWFGWKDR-UHFFFAOYSA-N -1 1 392.345 2.141 20 0 GEADMM CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825395093 608390140 /nfs/dbraw/zinc/39/01/40/608390140.db2.gz KLUADTNWFGWKDR-UHFFFAOYSA-N -1 1 392.345 2.141 20 0 GEADMM c1ccc(-c2noc(C3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)n2)cc1 ZINC000826519866 608414853 /nfs/dbraw/zinc/41/48/53/608414853.db2.gz RMHUFDAUUVGGDI-UHFFFAOYSA-N -1 1 375.396 2.091 20 0 GEADMM c1ccc(-c2noc(C3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)n2)cc1 ZINC000826519866 608414856 /nfs/dbraw/zinc/41/48/56/608414856.db2.gz RMHUFDAUUVGGDI-UHFFFAOYSA-N -1 1 375.396 2.091 20 0 GEADMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)nn1 ZINC000825395148 608430376 /nfs/dbraw/zinc/43/03/76/608430376.db2.gz LLNVJTJJGXYKPN-UHFFFAOYSA-N -1 1 393.238 2.429 20 0 GEADMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)nn1 ZINC000825395148 608430378 /nfs/dbraw/zinc/43/03/78/608430378.db2.gz LLNVJTJJGXYKPN-UHFFFAOYSA-N -1 1 393.238 2.429 20 0 GEADMM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826457116 608438258 /nfs/dbraw/zinc/43/82/58/608438258.db2.gz MWDOJTLLTHJYNI-KRWDZBQOSA-N -1 1 386.419 2.319 20 0 GEADMM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826457116 608438259 /nfs/dbraw/zinc/43/82/59/608438259.db2.gz MWDOJTLLTHJYNI-KRWDZBQOSA-N -1 1 386.419 2.319 20 0 GEADMM COCCN(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000826158301 608445163 /nfs/dbraw/zinc/44/51/63/608445163.db2.gz JUIDVYISMFJXMX-UHFFFAOYSA-N -1 1 397.867 2.211 20 0 GEADMM COCCN(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000826158301 608445166 /nfs/dbraw/zinc/44/51/66/608445166.db2.gz JUIDVYISMFJXMX-UHFFFAOYSA-N -1 1 397.867 2.211 20 0 GEADMM O=C(NC1CCCCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826429829 608520376 /nfs/dbraw/zinc/52/03/76/608520376.db2.gz NYRVJKQWVQFIDO-UHFFFAOYSA-N -1 1 375.502 2.088 20 0 GEADMM Cc1ccc(Cl)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826289092 608549798 /nfs/dbraw/zinc/54/97/98/608549798.db2.gz KIKURPNCTOJXNC-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Cc1ccc(Cl)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826289092 608549800 /nfs/dbraw/zinc/54/98/00/608549800.db2.gz KIKURPNCTOJXNC-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM CC(C)c1ccc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824347485 608559840 /nfs/dbraw/zinc/55/98/40/608559840.db2.gz BGYYSYPXBNVPGA-UHFFFAOYSA-N -1 1 396.499 2.319 20 0 GEADMM CC(C)c1ccc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824347485 608559843 /nfs/dbraw/zinc/55/98/43/608559843.db2.gz BGYYSYPXBNVPGA-UHFFFAOYSA-N -1 1 396.499 2.319 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-c2ccco2)s1 ZINC000825935156 608560537 /nfs/dbraw/zinc/56/05/37/608560537.db2.gz VVQIHDAXXJAJOQ-UHFFFAOYSA-N -1 1 398.452 2.198 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-c2ccco2)s1 ZINC000825935156 608560539 /nfs/dbraw/zinc/56/05/39/608560539.db2.gz VVQIHDAXXJAJOQ-UHFFFAOYSA-N -1 1 398.452 2.198 20 0 GEADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826146565 608568823 /nfs/dbraw/zinc/56/88/23/608568823.db2.gz XTKZQWPFADQOGT-BXUZGUMPSA-N -1 1 388.497 2.406 20 0 GEADMM Fc1cc(F)cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000826372945 608590117 /nfs/dbraw/zinc/59/01/17/608590117.db2.gz SUOKINFZLCSZIJ-UHFFFAOYSA-N -1 1 387.394 2.333 20 0 GEADMM Clc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826352333 608590267 /nfs/dbraw/zinc/59/02/67/608590267.db2.gz XDXVXIDAXAFEQV-UHFFFAOYSA-N -1 1 375.820 2.301 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826472237 608820614 /nfs/dbraw/zinc/82/06/14/608820614.db2.gz DDZYHJXAGVJAIU-CABZTGNLSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826472237 608820615 /nfs/dbraw/zinc/82/06/15/608820615.db2.gz DDZYHJXAGVJAIU-CABZTGNLSA-N -1 1 377.376 2.155 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(Cl)c(F)c1 ZINC000824999824 608838880 /nfs/dbraw/zinc/83/88/80/608838880.db2.gz KJNFFIMAAMMFDK-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(Cl)c(F)c1 ZINC000824999824 608838883 /nfs/dbraw/zinc/83/88/83/608838883.db2.gz KJNFFIMAAMMFDK-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM Cc1ccc(NC(=O)Cc2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cc1 ZINC000826291089 608888687 /nfs/dbraw/zinc/88/86/87/608888687.db2.gz OLWDKIVAXLISBR-UHFFFAOYSA-N -1 1 380.437 2.058 20 0 GEADMM Cc1ccc(NC(=O)Cc2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cc1 ZINC000826291089 608888689 /nfs/dbraw/zinc/88/86/89/608888689.db2.gz OLWDKIVAXLISBR-UHFFFAOYSA-N -1 1 380.437 2.058 20 0 GEADMM CC[C@@H](C)[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825049507 609144756 /nfs/dbraw/zinc/14/47/56/609144756.db2.gz BUDBQKSALPADIE-OLZOCXBDSA-N -1 1 399.455 2.446 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc(C(F)F)c1 ZINC000825929239 609156929 /nfs/dbraw/zinc/15/69/29/609156929.db2.gz DINZNAQMKGCBNV-UHFFFAOYSA-N -1 1 391.386 2.206 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc(C(F)F)c1 ZINC000825929239 609156930 /nfs/dbraw/zinc/15/69/30/609156930.db2.gz DINZNAQMKGCBNV-UHFFFAOYSA-N -1 1 391.386 2.206 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000826357112 609158587 /nfs/dbraw/zinc/15/85/87/609158587.db2.gz RIKCIDCYJHTILS-CQSZACIVSA-N -1 1 396.459 2.111 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000826357112 609158588 /nfs/dbraw/zinc/15/85/88/609158588.db2.gz RIKCIDCYJHTILS-CQSZACIVSA-N -1 1 396.459 2.111 20 0 GEADMM CCCOc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825339271 609162407 /nfs/dbraw/zinc/16/24/07/609162407.db2.gz UXGOAISBQSARPY-UHFFFAOYSA-N -1 1 399.459 2.057 20 0 GEADMM CCCOc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825339271 609162409 /nfs/dbraw/zinc/16/24/09/609162409.db2.gz UXGOAISBQSARPY-UHFFFAOYSA-N -1 1 399.459 2.057 20 0 GEADMM Cn1cc(-c2nc([C@H]3CCCCCN3Cc3ccc(-c4nnn[n-]4)o3)no2)cn1 ZINC000826356433 609176140 /nfs/dbraw/zinc/17/61/40/609176140.db2.gz QLHFYOIEEOWASM-CQSZACIVSA-N -1 1 395.427 2.361 20 0 GEADMM Cn1cc(-c2nc([C@H]3CCCCCN3Cc3ccc(-c4nn[n-]n4)o3)no2)cn1 ZINC000826356433 609176142 /nfs/dbraw/zinc/17/61/42/609176142.db2.gz QLHFYOIEEOWASM-CQSZACIVSA-N -1 1 395.427 2.361 20 0 GEADMM COCc1noc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)n1 ZINC000826165758 609176375 /nfs/dbraw/zinc/17/63/75/609176375.db2.gz IZKMDCQNFCFTTL-UHFFFAOYSA-N -1 1 380.368 2.196 20 0 GEADMM CC(C)C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824245462 609181670 /nfs/dbraw/zinc/18/16/70/609181670.db2.gz ZXPZHDXBVKRKGS-VXGBXAGGSA-N -1 1 399.904 2.392 20 0 GEADMM CC(C)C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824245462 609181672 /nfs/dbraw/zinc/18/16/72/609181672.db2.gz ZXPZHDXBVKRKGS-VXGBXAGGSA-N -1 1 399.904 2.392 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229439 609267703 /nfs/dbraw/zinc/26/77/03/609267703.db2.gz DVDQTQATDOJKHK-MNOVXSKESA-N -1 1 392.485 2.013 20 0 GEADMM O=C1[C@H]2CSCN2C(=O)N1Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826478338 609277539 /nfs/dbraw/zinc/27/75/39/609277539.db2.gz ZQCDCULVKWCRKN-GFCCVEGCSA-N -1 1 398.473 2.432 20 0 GEADMM CC(C)(C)c1noc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000824141977 609277966 /nfs/dbraw/zinc/27/79/66/609277966.db2.gz PZXREGPSQXJUMT-UHFFFAOYSA-N -1 1 383.391 2.484 20 0 GEADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)Nc1cccc(F)c1 ZINC000826414338 609280920 /nfs/dbraw/zinc/28/09/20/609280920.db2.gz QZBBIXZHXUKOAC-UHFFFAOYSA-N -1 1 396.361 2.381 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2c(c1)OCO2 ZINC000826458411 609288179 /nfs/dbraw/zinc/28/81/79/609288179.db2.gz OOANKDYXMUOETF-UHFFFAOYSA-N -1 1 393.338 2.173 20 0 GEADMM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccnc1 ZINC000824046509 609289890 /nfs/dbraw/zinc/28/98/90/609289890.db2.gz SSYFMJSHNAMHPJ-NSHDSACASA-N -1 1 378.371 2.329 20 0 GEADMM CCC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCOCC1 ZINC000825164606 609290729 /nfs/dbraw/zinc/29/07/29/609290729.db2.gz DVDFVPHKUAAQQH-UHFFFAOYSA-N -1 1 385.403 2.337 20 0 GEADMM O=C(/C=C/C1CCOCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826399810 609291107 /nfs/dbraw/zinc/29/11/07/609291107.db2.gz GWHAUXRGRNSGCK-SNAWJCMRSA-N -1 1 383.387 2.113 20 0 GEADMM Cc1cc(C)n([C@@H](C)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826264843 609292510 /nfs/dbraw/zinc/29/25/10/609292510.db2.gz BYBCFQNZOHYANE-LBPRGKRZSA-N -1 1 395.402 2.205 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CC(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826229796 609301160 /nfs/dbraw/zinc/30/11/60/609301160.db2.gz RLIATTNCINPGSN-SNVBAGLBSA-N -1 1 398.448 2.081 20 0 GEADMM O=C(Cc1cccc(O)c1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826423269 609313531 /nfs/dbraw/zinc/31/35/31/609313531.db2.gz GVBIJVVWBRTQND-UHFFFAOYSA-N -1 1 379.355 2.078 20 0 GEADMM CC(C)Oc1ncccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824337593 609317405 /nfs/dbraw/zinc/31/74/05/609317405.db2.gz BUVJBEIGCOLWMY-UHFFFAOYSA-N -1 1 395.828 2.470 20 0 GEADMM CC(C)Oc1ncccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824337593 609317407 /nfs/dbraw/zinc/31/74/07/609317407.db2.gz BUVJBEIGCOLWMY-UHFFFAOYSA-N -1 1 395.828 2.470 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824962181 609330461 /nfs/dbraw/zinc/33/04/61/609330461.db2.gz PPTALAZDHSZAOE-KWQFWETISA-N -1 1 393.366 2.254 20 0 GEADMM Cc1cccc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826298462 609364085 /nfs/dbraw/zinc/36/40/85/609364085.db2.gz TVXGZIBUDKUESA-UHFFFAOYSA-N -1 1 393.386 2.217 20 0 GEADMM CC[C@H]1C[C@H](CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825182332 609399195 /nfs/dbraw/zinc/39/91/95/609399195.db2.gz HYZSSHREWIKXAH-OLZOCXBDSA-N -1 1 391.428 2.154 20 0 GEADMM Cc1onc(CC(=O)NCc2ccccc2N2CCCCC2)c1-c1nnn[n-]1 ZINC000826348077 609472842 /nfs/dbraw/zinc/47/28/42/609472842.db2.gz SPJHHCJTGZAMLE-UHFFFAOYSA-N -1 1 381.440 2.012 20 0 GEADMM Cc1onc(CC(=O)NCc2ccccc2N2CCCCC2)c1-c1nn[n-]n1 ZINC000826348077 609472843 /nfs/dbraw/zinc/47/28/43/609472843.db2.gz SPJHHCJTGZAMLE-UHFFFAOYSA-N -1 1 381.440 2.012 20 0 GEADMM CCOc1ccc(-c2cn(C3CN(Cc4ccc(-c5nnn[n-]5)o4)C3)nn2)cc1 ZINC000825620958 609494765 /nfs/dbraw/zinc/49/47/65/609494765.db2.gz KDZVOIQMUQUJRY-UHFFFAOYSA-N -1 1 392.423 2.174 20 0 GEADMM CCOc1ccc(-c2cn(C3CN(Cc4ccc(-c5nn[n-]n5)o4)C3)nn2)cc1 ZINC000825620958 609494766 /nfs/dbraw/zinc/49/47/66/609494766.db2.gz KDZVOIQMUQUJRY-UHFFFAOYSA-N -1 1 392.423 2.174 20 0 GEADMM COc1cc(Br)ccc1CCCn1cccc(-c2nn[n-]n2)c1=O ZINC000826176926 609502155 /nfs/dbraw/zinc/50/21/55/609502155.db2.gz KGARRZPQRCPDPC-UHFFFAOYSA-N -1 1 390.241 2.432 20 0 GEADMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826461764 609526815 /nfs/dbraw/zinc/52/68/15/609526815.db2.gz GKPMKDRSOXVTRS-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM Cc1ccnc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1-c1nn[nH]n1 ZINC000826312126 609558736 /nfs/dbraw/zinc/55/87/36/609558736.db2.gz WNNLXVWQGGJDIQ-DOTOQJQBSA-N -1 1 379.468 2.272 20 0 GEADMM Cc1ccnc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1-c1nn[nH]n1 ZINC000826312129 609559011 /nfs/dbraw/zinc/55/90/11/609559011.db2.gz WNNLXVWQGGJDIQ-WBVHZDCISA-N -1 1 379.468 2.272 20 0 GEADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824908400 609586332 /nfs/dbraw/zinc/58/63/32/609586332.db2.gz OMZNQCOUFHGSTK-RKDXNWHRSA-N -1 1 393.366 2.357 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n1 ZINC000826357900 609592063 /nfs/dbraw/zinc/59/20/63/609592063.db2.gz VSBHDCSKHHPEQK-UHFFFAOYSA-N -1 1 388.363 2.254 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n1 ZINC000826357900 609592065 /nfs/dbraw/zinc/59/20/65/609592065.db2.gz VSBHDCSKHHPEQK-UHFFFAOYSA-N -1 1 388.363 2.254 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3cccc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC000824108436 609602226 /nfs/dbraw/zinc/60/22/26/609602226.db2.gz FYHJLNPRGYBARR-MELADBBJSA-N -1 1 385.472 2.391 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3cccc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC000824108436 609602228 /nfs/dbraw/zinc/60/22/28/609602228.db2.gz FYHJLNPRGYBARR-MELADBBJSA-N -1 1 385.472 2.391 20 0 GEADMM CN(C)[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000825850687 609622527 /nfs/dbraw/zinc/62/25/27/609622527.db2.gz QKNYRGBEBJAFFG-OAHLLOKOSA-N -1 1 390.806 2.400 20 0 GEADMM CN(C)[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000825850687 609622528 /nfs/dbraw/zinc/62/25/28/609622528.db2.gz QKNYRGBEBJAFFG-OAHLLOKOSA-N -1 1 390.806 2.400 20 0 GEADMM Cc1cc(CNC(=O)c2ccc(Br)c([O-])c2)ccc1S(N)(=O)=O ZINC000446725228 649987554 /nfs/dbraw/zinc/98/75/54/649987554.db2.gz IUJVILSYUOHMHN-UHFFFAOYSA-N -1 1 399.266 2.041 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000446823962 649989537 /nfs/dbraw/zinc/98/95/37/649989537.db2.gz CGDZGMYKNHFXAE-UHFFFAOYSA-N -1 1 385.848 2.440 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)co1 ZINC000447706921 650008159 /nfs/dbraw/zinc/00/81/59/650008159.db2.gz MJBZCCSBPWXBOC-LBPRGKRZSA-N -1 1 380.319 2.202 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C(C)(F)F)c(F)c1 ZINC000451069658 650083555 /nfs/dbraw/zinc/08/35/55/650083555.db2.gz MDAVBAFQVBGNJJ-VIFPVBQESA-N -1 1 388.433 2.299 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C)c(F)c1 ZINC000451174870 650093188 /nfs/dbraw/zinc/09/31/88/650093188.db2.gz YXRKFEIEAWPKSN-RISCZKNCSA-N -1 1 378.491 2.444 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C1CCOCC1 ZINC000451355655 650106870 /nfs/dbraw/zinc/10/68/70/650106870.db2.gz VPJHJMURSIMZBT-KGLIPLIRSA-N -1 1 383.457 2.090 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCSCC1 ZINC000451357256 650106955 /nfs/dbraw/zinc/10/69/55/650106955.db2.gz YGFIRLLBDQZIBM-UHFFFAOYSA-N -1 1 381.878 2.337 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000451303502 650102316 /nfs/dbraw/zinc/10/23/16/650102316.db2.gz GMAMUPKZCNHWAL-BETUJISGSA-N -1 1 390.502 2.398 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CSC[C@H]2C)c(F)c1 ZINC000451524168 650123109 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CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(N)=O ZINC000511004916 650523116 /nfs/dbraw/zinc/52/31/16/650523116.db2.gz YDCMBDGAYFRWBP-VIFPVBQESA-N -1 1 387.658 2.174 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)c1nnc(C)[nH]1 ZINC000511051587 650524348 /nfs/dbraw/zinc/52/43/48/650524348.db2.gz KYJAITKERWTFTN-LURJTMIESA-N -1 1 393.252 2.246 20 0 GEADMM Cn1ncc2c1[n-]cc(C(=O)NCCc1ccccc1Br)c2=O ZINC000512035119 650544260 /nfs/dbraw/zinc/54/42/60/650544260.db2.gz LXYFMNLTYWGVDB-UHFFFAOYSA-N -1 1 375.226 2.409 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]2c2ccccc2)c(F)c1 ZINC000477194730 650571580 /nfs/dbraw/zinc/57/15/80/650571580.db2.gz OVYHPWSSMLPDJI-OAHLLOKOSA-N -1 1 384.454 2.333 20 0 GEADMM C[C@H](CN(C)C(=O)CSCc1cc(-c2cccs2)on1)c1nn[n-]n1 ZINC000478100543 650583019 /nfs/dbraw/zinc/58/30/19/650583019.db2.gz IVUQURVBLCQBBH-SNVBAGLBSA-N -1 1 378.483 2.412 20 0 GEADMM Cc1ncsc1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000516517722 650598121 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O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(F)cc1Cl ZINC000123445212 643671130 /nfs/dbraw/zinc/67/11/30/643671130.db2.gz RTCZYHIOXIQGFV-GFCCVEGCSA-N -1 1 375.830 2.286 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)C(=O)NCC1CCCCC1 ZINC000126166532 643723847 /nfs/dbraw/zinc/72/38/47/643723847.db2.gz LKYBEDHBAOWBCW-UHFFFAOYSA-N -1 1 390.937 2.135 20 0 GEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1 ZINC000126802336 643746243 /nfs/dbraw/zinc/74/62/43/643746243.db2.gz VLVAQFYRMFZUSO-UHFFFAOYSA-N -1 1 383.495 2.413 20 0 GEADMM C[C@H](C(=O)Nc1ccccc1Br)S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000127162832 643760415 /nfs/dbraw/zinc/76/04/15/643760415.db2.gz RRRXHHSMIICIFQ-MRVPVSSYSA-N -1 1 399.270 2.246 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2ccncc2I)c1F ZINC000541006661 650868079 /nfs/dbraw/zinc/86/80/79/650868079.db2.gz RHDAFQBMCVHFDE-UHFFFAOYSA-N -1 1 392.193 2.356 20 0 GEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1 ZINC000130439550 643839450 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COC(=O)c1ncsc1S(=O)(=O)[N-]c1n[nH]c(-c2ccc(C)o2)c1C ZINC000543446282 650911821 /nfs/dbraw/zinc/91/18/21/650911821.db2.gz GCXMTULWRMPNFI-UHFFFAOYSA-N -1 1 382.423 2.330 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Br)c(C)c2)n1 ZINC000176719944 644403979 /nfs/dbraw/zinc/40/39/79/644403979.db2.gz DEUMEJYENQVQJJ-UHFFFAOYSA-N -1 1 387.259 2.170 20 0 GEADMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)s1 ZINC000177723277 644426107 /nfs/dbraw/zinc/42/61/07/644426107.db2.gz SYYPPTHOBRAOEV-UHFFFAOYSA-N -1 1 376.406 2.249 20 0 GEADMM Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1 ZINC000180251483 644498571 /nfs/dbraw/zinc/49/85/71/644498571.db2.gz IWKJMEMFKUIADH-UHFFFAOYSA-N -1 1 379.829 2.243 20 0 GEADMM COc1ncc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)c(C)n1 ZINC000544010890 650930745 /nfs/dbraw/zinc/93/07/45/650930745.db2.gz GWLGNKVZADDVRV-UHFFFAOYSA-N -1 1 379.829 2.206 20 0 GEADMM COc1ncc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)c(C)n1 ZINC000544010890 650930749 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GEADMM Cc1nc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c(Br)n1C ZINC000805022747 654336988 /nfs/dbraw/zinc/33/69/88/654336988.db2.gz CIHIXLJVXKNDTC-UHFFFAOYSA-N -1 1 394.241 2.290 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCCc2cccs2)c(Br)n1C ZINC000805052982 654342141 /nfs/dbraw/zinc/34/21/41/654342141.db2.gz ALZSTMNLJDSKGD-UHFFFAOYSA-N -1 1 378.317 2.464 20 0 GEADMM CCn1cc(CCS(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)cn1 ZINC000905248028 654344093 /nfs/dbraw/zinc/34/40/93/654344093.db2.gz CKEGEZFJMWSWJX-UHFFFAOYSA-N -1 1 398.286 2.262 20 0 GEADMM CCn1cc(CCS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)cn1 ZINC000905248028 654344105 /nfs/dbraw/zinc/34/41/05/654344105.db2.gz CKEGEZFJMWSWJX-UHFFFAOYSA-N -1 1 398.286 2.262 20 0 GEADMM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872462223 654344157 /nfs/dbraw/zinc/34/41/57/654344157.db2.gz SVDOXIURCLKEEI-RZFZLAGVSA-N -1 1 389.543 2.005 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)c(Br)n1C ZINC000805065131 654344394 /nfs/dbraw/zinc/34/43/94/654344394.db2.gz VHZVFDOGCLALMC-MNOVXSKESA-N -1 1 394.335 2.361 20 0 GEADMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c2ccccc21 ZINC000872465458 654346429 /nfs/dbraw/zinc/34/64/29/654346429.db2.gz MQDVLYLBMHSZPT-JBEBIEQOSA-N -1 1 387.527 2.215 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(Br)n1C ZINC000805095455 654348763 /nfs/dbraw/zinc/34/87/63/654348763.db2.gz YGWQMSKHJYUGFA-PEGIJTEDSA-N -1 1 394.335 2.363 20 0 GEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)CO ZINC000872478647 654350327 /nfs/dbraw/zinc/35/03/27/654350327.db2.gz AGXCTHMGIVIKMV-QKFKETGDSA-N -1 1 376.544 2.477 20 0 GEADMM O=C(NCc1ccc([O-])c(Cl)c1)c1c(Br)nc2n1CCOC2 ZINC000834823659 654350961 /nfs/dbraw/zinc/35/09/61/654350961.db2.gz ZFKAIFRIRXKRKF-UHFFFAOYSA-N -1 1 386.633 2.465 20 0 GEADMM COCCCOc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1 ZINC000872486044 654353319 /nfs/dbraw/zinc/35/33/19/654353319.db2.gz HNUWGCYIBNFANT-DEOSSOPVSA-N -1 1 392.543 2.333 20 0 GEADMM CCC1(CC)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1sccc1Br ZINC000922040272 654358583 /nfs/dbraw/zinc/35/85/83/654358583.db2.gz HFYQYRNWYFABKK-VIFPVBQESA-N -1 1 381.317 2.094 20 0 GEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CC2)c1F ZINC000922098475 654366879 /nfs/dbraw/zinc/36/68/79/654366879.db2.gz FRPGCJYSHUNUMN-GFCCVEGCSA-N -1 1 375.393 2.131 20 0 GEADMM COC(=O)[C@H](Cc1cncs1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000872544572 654368828 /nfs/dbraw/zinc/36/88/28/654368828.db2.gz ZAFNTUJOGJBJQY-INIZCTEOSA-N -1 1 378.475 2.134 20 0 GEADMM O=S(=O)([N-]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)cnc1Cl ZINC000872571479 654373903 /nfs/dbraw/zinc/37/39/03/654373903.db2.gz VPZTXKKUNNANJP-UQPYNNQESA-N -1 1 399.321 2.023 20 0 GEADMM COc1ccc(OC)c2sc(N3CC(C[N-]C(=O)C(F)(F)F)C3)nc21 ZINC000872627517 654382702 /nfs/dbraw/zinc/38/27/02/654382702.db2.gz QTXYFZGRXCFSCB-UHFFFAOYSA-N -1 1 375.372 2.428 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)c1ccncc1Br ZINC000872633516 654383876 /nfs/dbraw/zinc/38/38/76/654383876.db2.gz JZHQUXYJCOBQMJ-VIFPVBQESA-N -1 1 384.321 2.247 20 0 GEADMM C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccncc1Br ZINC000872634015 654383977 /nfs/dbraw/zinc/38/39/77/654383977.db2.gz SIBXRKABYLWODV-VIFPVBQESA-N -1 1 382.305 2.001 20 0 GEADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]c1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000906073192 654414360 /nfs/dbraw/zinc/41/43/60/654414360.db2.gz OKBUKWMVYKBHTJ-XACMVJRISA-N -1 1 389.543 2.070 20 0 GEADMM COC(=O)[C@](C)([N-]C(=O)C(F)(F)c1ncccc1Br)C1CC1 ZINC000906744278 654467313 /nfs/dbraw/zinc/46/73/13/654467313.db2.gz CNGALYYYMYBNTL-CYBMUJFWSA-N -1 1 377.185 2.394 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)NCc2cnc(Cl)s2)C1)C(F)(F)F ZINC000923685756 654476800 /nfs/dbraw/zinc/47/68/00/654476800.db2.gz NOJZZVIUKMCNMD-MRVPVSSYSA-N -1 1 384.811 2.397 20 0 GEADMM O=C(c1ccc(Cn2cc(Cl)cn2)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000907103556 654510550 /nfs/dbraw/zinc/51/05/50/654510550.db2.gz GTAOCDLYPZHUSD-SNVBAGLBSA-N -1 1 377.861 2.179 20 0 GEADMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(I)s2)o1 ZINC000907127483 654512349 /nfs/dbraw/zinc/51/23/49/654512349.db2.gz NCIVGXRHPRVLNH-UHFFFAOYSA-N -1 1 398.247 2.382 20 0 GEADMM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ncccc2Br)CCSC1 ZINC000907148400 654514896 /nfs/dbraw/zinc/51/48/96/654514896.db2.gz DIXSSUKWIPWEOD-GFCCVEGCSA-N -1 1 395.225 2.101 20 0 GEADMM O=C([N-]CCCc1ccc(S(=O)(=O)N2CC[C@@H](F)C2)cc1)C(F)(F)F ZINC000907217493 654521042 /nfs/dbraw/zinc/52/10/42/654521042.db2.gz SKDRIOTZGHAUMG-GFCCVEGCSA-N -1 1 382.379 2.030 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)cccc32)c(C(F)(F)F)n1 ZINC000907443627 654543734 /nfs/dbraw/zinc/54/37/34/654543734.db2.gz UICFWWCUEBQVCE-SNVBAGLBSA-N -1 1 379.335 2.380 20 0 GEADMM C[C@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1cccc(Br)c1 ZINC000907479916 654547888 /nfs/dbraw/zinc/54/78/88/654547888.db2.gz JONLKHZLVBOXEV-CABZTGNLSA-N -1 1 382.287 2.382 20 0 GEADMM Cc1c(F)c(Br)ccc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481549 654548145 /nfs/dbraw/zinc/54/81/45/654548145.db2.gz IUYDXNRGJUIUCX-SNVBAGLBSA-N -1 1 386.250 2.340 20 0 GEADMM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481125 654548154 /nfs/dbraw/zinc/54/81/54/654548154.db2.gz ZTBGBANALGWNOE-GXFFZTMASA-N -1 1 379.873 2.379 20 0 GEADMM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481124 654548199 /nfs/dbraw/zinc/54/81/99/654548199.db2.gz ZTBGBANALGWNOE-GWCFXTLKSA-N -1 1 379.873 2.379 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@](O)(C[N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000907610162 654560838 /nfs/dbraw/zinc/56/08/38/654560838.db2.gz TWLWBNXUSXYTCA-CQSZACIVSA-N -1 1 396.918 2.052 20 0 GEADMM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3ccc(Br)nc3F)C2)CO1 ZINC000907732580 654571732 /nfs/dbraw/zinc/57/17/32/654571732.db2.gz QSDUKQFKNGJEHS-BGQFSCJGSA-N -1 1 379.251 2.219 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCSC(C)(C)C2)c(Br)n1C ZINC000907752675 654574779 /nfs/dbraw/zinc/57/47/79/654574779.db2.gz SJNVAPPMMIIYNN-VIFPVBQESA-N -1 1 382.349 2.444 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@H]23)c(Br)o1 ZINC000907969724 654593610 /nfs/dbraw/zinc/59/36/10/654593610.db2.gz LEFFYWXPVGVAQO-XHNCKOQMSA-N -1 1 378.244 2.296 20 0 GEADMM COCCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)CCO2 ZINC000908049372 654600101 /nfs/dbraw/zinc/60/01/01/654600101.db2.gz DRTNZTXWRQNCQB-SQWLQELKSA-N -1 1 383.457 2.044 20 0 GEADMM Cn1cc([C@@]2(C[N-]S(=O)(=O)c3c(Cl)ccnc3Cl)CCCO2)cn1 ZINC000908104871 654604778 /nfs/dbraw/zinc/60/47/78/654604778.db2.gz CJAIVZJJJBMWHL-AWEZNQCLSA-N -1 1 391.280 2.106 20 0 GEADMM O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc([O-])c1Br ZINC000908713047 654638551 /nfs/dbraw/zinc/63/85/51/654638551.db2.gz LYLJUZAJPUKUES-UHFFFAOYSA-N -1 1 391.269 2.310 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCn2cccc2C1 ZINC000928966876 654669314 /nfs/dbraw/zinc/66/93/14/654669314.db2.gz FCYLDLXBQYIEKM-UHFFFAOYSA-N -1 1 388.276 2.116 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000910252487 654694191 /nfs/dbraw/zinc/69/41/91/654694191.db2.gz CQIAXPGQKXSDLG-FZMZJTMJSA-N -1 1 397.269 2.186 20 0 GEADMM C[C@@]1(C(=O)[O-])CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 ZINC000910318037 654695854 /nfs/dbraw/zinc/69/58/54/654695854.db2.gz PJNGXGHDNJSDCI-INIZCTEOSA-N -1 1 394.225 2.155 20 0 GEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2c3c(ccc2F)OCO3)s1 ZINC000930417541 654709412 /nfs/dbraw/zinc/70/94/12/654709412.db2.gz OFWWXGQPFLICNT-UHFFFAOYSA-N -1 1 385.398 2.313 20 0 GEADMM COC(=O)[C@](C)(CCF)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000912520017 654757950 /nfs/dbraw/zinc/75/79/50/654757950.db2.gz TZUYAFWVROAREO-LBPRGKRZSA-N -1 1 383.164 2.343 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Nc1c(Cl)cc(Cl)cc1Cl ZINC000912522440 654758111 /nfs/dbraw/zinc/75/81/11/654758111.db2.gz TWUICCDMWDJPDJ-UHFFFAOYSA-N -1 1 399.643 2.462 20 0 GEADMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(-c2nc(C)cs2)cc1 ZINC000912530529 654758644 /nfs/dbraw/zinc/75/86/44/654758644.db2.gz OBHPXTRXEUDZSE-UHFFFAOYSA-N -1 1 379.419 2.396 20 0 GEADMM CSCC[C@H](NC(=O)c1cccnc1SC(F)(F)F)c1nn[n-]n1 ZINC000912860146 654771493 /nfs/dbraw/zinc/77/14/93/654771493.db2.gz ILHBJKVXWRYRRS-QMMMGPOBSA-N -1 1 378.405 2.431 20 0 GEADMM CSCC[C@H](NC(=O)Cc1cc(Br)ccc1F)c1nn[n-]n1 ZINC000912861774 654771744 /nfs/dbraw/zinc/77/17/44/654771744.db2.gz XIEFTRLGYPZGMW-NSHDSACASA-N -1 1 388.266 2.254 20 0 GEADMM CSCC[C@H](NC(=O)c1sc(N2CCCC2)nc1Cl)c1nn[n-]n1 ZINC000912860676 654771909 /nfs/dbraw/zinc/77/19/09/654771909.db2.gz SVOPAHSMMUNNDB-QMMMGPOBSA-N -1 1 387.922 2.134 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccnc(Br)c1 ZINC000913079875 654781917 /nfs/dbraw/zinc/78/19/17/654781917.db2.gz NQWIDYYUJLAXCD-UHFFFAOYSA-N -1 1 390.241 2.068 20 0 GEADMM O=C(c1ccc2scc(Br)c2c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499597 654796499 /nfs/dbraw/zinc/79/64/99/654796499.db2.gz WUBPSHCUUIVONM-LLVKDONJSA-N -1 1 394.254 2.391 20 0 GEADMM Cc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc(Cl)c1Br ZINC000913497262 654796551 /nfs/dbraw/zinc/79/65/51/654796551.db2.gz JOBHRIOYSHTPJT-SNVBAGLBSA-N -1 1 386.637 2.138 20 0 GEADMM O=C(NC12CCN(CC1)C2)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000913627277 654802061 /nfs/dbraw/zinc/80/20/61/654802061.db2.gz DAMVLQUYCZRLPY-UHFFFAOYSA-N -1 1 377.491 2.127 20 0 GEADMM O=C(c1c[nH]c2cccc(Br)c12)N1CCC(c2nn[n-]n2)CC1 ZINC000913743821 654807312 /nfs/dbraw/zinc/80/73/12/654807312.db2.gz MTAYALVPKGKTAL-UHFFFAOYSA-N -1 1 375.230 2.463 20 0 GEADMM O=C(c1ccc(C(F)(F)Br)nc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745794 654807611 /nfs/dbraw/zinc/80/76/11/654807611.db2.gz OKBRUDIWIDSTOY-UHFFFAOYSA-N -1 1 387.188 2.059 20 0 GEADMM O=S(=O)(NC[C@@H]1CC[N@H+](C2CC2)C1)c1c([O-])cccc1OC(F)(F)F ZINC000913912835 654815513 /nfs/dbraw/zinc/81/55/13/654815513.db2.gz JQEFUCJXXSBICD-JTQLQIEISA-N -1 1 380.388 2.053 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H]1CCC[C@H](O)C1 ZINC000913935258 654816979 /nfs/dbraw/zinc/81/69/79/654816979.db2.gz GARWQIULDDCMCD-LYSPQLLHSA-N -1 1 386.417 2.171 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCOC2)c1F ZINC000914107429 654826937 /nfs/dbraw/zinc/82/69/37/654826937.db2.gz GBVGEAGCMMPTCF-ZDUSSCGKSA-N -1 1 382.251 2.302 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C2(C)CCOCC2)c1F ZINC000914283194 654842045 /nfs/dbraw/zinc/84/20/45/654842045.db2.gz LKFWNJYEVSIDLV-UHFFFAOYSA-N -1 1 382.251 2.444 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)c1F ZINC000915992590 654884284 /nfs/dbraw/zinc/88/42/84/654884284.db2.gz PJPOGODVTRLKHM-SECBINFHSA-N -1 1 390.234 2.217 20 0 GEADMM CC(C)(CO)CC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916020728 654885046 /nfs/dbraw/zinc/88/50/46/654885046.db2.gz CGHHKXKEEYEZDB-HSZRJFAPSA-N -1 1 388.433 2.276 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC(C)=NO2)c1F ZINC000916073101 654886856 /nfs/dbraw/zinc/88/68/56/654886856.db2.gz MUHXVOXGWSQPJG-MRVPVSSYSA-N -1 1 381.223 2.040 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c1F ZINC000916107185 654888678 /nfs/dbraw/zinc/88/86/78/654888678.db2.gz VAAIQHLSCUMYTL-NSHDSACASA-N -1 1 394.262 2.444 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC2(CO)CC2)c1F ZINC000916121402 654889289 /nfs/dbraw/zinc/88/92/89/654889289.db2.gz RUPSEDMFSSISDH-UHFFFAOYSA-N -1 1 382.251 2.038 20 0 GEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000006328985 531523018 /nfs/dbraw/zinc/52/30/18/531523018.db2.gz GDHYBOARSMHAOS-UHFFFAOYSA-N -1 1 384.479 2.136 20 0 GEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccccc1Br ZINC000007051850 531536483 /nfs/dbraw/zinc/53/64/83/531536483.db2.gz DMPZWLAOCUKLQF-UHFFFAOYSA-N -1 1 380.227 2.226 20 0 GEADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n[n-]1 ZINC000153109172 531590968 /nfs/dbraw/zinc/59/09/68/531590968.db2.gz DIUQEGPBLFLJCW-QMMMGPOBSA-N -1 1 376.360 2.187 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000023390422 531597868 /nfs/dbraw/zinc/59/78/68/531597868.db2.gz JUWFFBWDLXSCGK-UHFFFAOYSA-N -1 1 396.368 2.033 20 0 GEADMM O=C(N[C@H](CO)c1cccc(Br)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000153608500 531605235 /nfs/dbraw/zinc/60/52/35/531605235.db2.gz ASBVOPLIDNOIFA-CQSZACIVSA-N -1 1 388.221 2.149 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)co1 ZINC000154047340 531618766 /nfs/dbraw/zinc/61/87/66/531618766.db2.gz DWQXVWFDAULWRZ-CYBMUJFWSA-N -1 1 380.491 2.442 20 0 GEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000031720965 531645979 /nfs/dbraw/zinc/64/59/79/531645979.db2.gz WRLMVAHHAOUEGV-UHFFFAOYSA-N -1 1 382.825 2.401 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C(C)C)c1)c1ccc(Cl)c(F)c1 ZINC000155086404 531656608 /nfs/dbraw/zinc/65/66/08/531656608.db2.gz WXTMGWNTIPMKLH-CQSZACIVSA-N -1 1 389.836 2.449 20 0 GEADMM Cc1cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2F)sc1C(=O)[O-] ZINC000042794090 531672796 /nfs/dbraw/zinc/67/27/96/531672796.db2.gz PHUFAUIKBFWDBE-UHFFFAOYSA-N -1 1 393.439 2.098 20 0 GEADMM O=S(=O)([N-][C@@H]1CCN(c2ncccc2F)C1)c1cc(F)c(F)cc1F ZINC000157445367 531743081 /nfs/dbraw/zinc/74/30/81/531743081.db2.gz VBTCUAGQLGQUGN-SECBINFHSA-N -1 1 375.347 2.195 20 0 GEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)NCCO)cc1 ZINC000052025723 531748378 /nfs/dbraw/zinc/74/83/78/531748378.db2.gz USUZKJSQNJQSRC-UHFFFAOYSA-N -1 1 382.869 2.100 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2F)co1 ZINC000157843644 531755158 /nfs/dbraw/zinc/75/51/58/531755158.db2.gz KXCJHSBNAIUVKH-UHFFFAOYSA-N -1 1 377.191 2.342 20 0 GEADMM CCOc1ccc(Cl)cc1CCNC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000158057212 531764353 /nfs/dbraw/zinc/76/43/53/531764353.db2.gz WGOJTFIPTTWYRT-UHFFFAOYSA-N -1 1 386.857 2.212 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1S(N)(=O)=O ZINC000055565201 531793007 /nfs/dbraw/zinc/79/30/07/531793007.db2.gz PRRIUUADJIKOKC-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM COCCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cn1 ZINC000060500200 531844893 /nfs/dbraw/zinc/84/48/93/531844893.db2.gz MRQUOVHWOFLQSR-UHFFFAOYSA-N -1 1 376.356 2.003 20 0 GEADMM C[C@H](COCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000067278468 531880701 /nfs/dbraw/zinc/88/07/01/531880701.db2.gz LNDSYWXRCMWEFH-SECBINFHSA-N -1 1 386.392 2.054 20 0 GEADMM C[C@@H](COCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000067278466 531881636 /nfs/dbraw/zinc/88/16/36/531881636.db2.gz LNDSYWXRCMWEFH-VIFPVBQESA-N -1 1 386.392 2.054 20 0 GEADMM C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000094138923 531932214 /nfs/dbraw/zinc/93/22/14/531932214.db2.gz AEYHUJGHWXJYPG-VIFPVBQESA-N -1 1 376.272 2.192 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1CC(F)(F)F ZINC000112092561 531944099 /nfs/dbraw/zinc/94/40/99/531944099.db2.gz YVZXAGIYWNIULS-RXMQYKEDSA-N -1 1 397.227 2.496 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCCN1CC(F)(F)F ZINC000120951991 532003589 /nfs/dbraw/zinc/00/35/89/532003589.db2.gz RZZMHMKQJPFCFD-NSHDSACASA-N -1 1 376.356 2.264 20 0 GEADMM CSC[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000121223770 532018809 /nfs/dbraw/zinc/01/88/09/532018809.db2.gz WLDCGGYCJJYCPX-ZETCQYMHSA-N -1 1 390.271 2.120 20 0 GEADMM CCCCc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)n[nH]1 ZINC000121205029 532017989 /nfs/dbraw/zinc/01/79/89/532017989.db2.gz JDSKTOIELNBDFN-UHFFFAOYSA-N -1 1 375.447 2.096 20 0 GEADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000173576449 532021091 /nfs/dbraw/zinc/02/10/91/532021091.db2.gz OJXIVBVDJWCLHB-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM CC(C)(C)C(=O)Cn1cc(C(=O)Nc2nc(Br)ccc2[O-])nn1 ZINC000121500917 532031818 /nfs/dbraw/zinc/03/18/18/532031818.db2.gz DPDPINSDJSRLGK-UHFFFAOYSA-N -1 1 382.218 2.009 20 0 GEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc([S@](C)=O)cc3)ccc21 ZINC000174263344 532057661 /nfs/dbraw/zinc/05/76/61/532057661.db2.gz VEMSVTSKGBRTPJ-DEOSSOPVSA-N -1 1 378.475 2.134 20 0 GEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000174674847 532073824 /nfs/dbraw/zinc/07/38/24/532073824.db2.gz JVTSRKPWAULIML-UHFFFAOYSA-N -1 1 387.230 2.417 20 0 GEADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc([S@](C)=O)cc3)cc21 ZINC000174741183 532076226 /nfs/dbraw/zinc/07/62/26/532076226.db2.gz AOPNGQUOFKCQRW-DEOSSOPVSA-N -1 1 378.475 2.134 20 0 GEADMM C[C@@H](CO)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000122834852 532084203 /nfs/dbraw/zinc/08/42/03/532084203.db2.gz KZRHVANXQBXDSS-YFKPBYRVSA-N -1 1 391.056 2.010 20 0 GEADMM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2sccc2Br)CC1=O ZINC000175339385 532100076 /nfs/dbraw/zinc/10/00/76/532100076.db2.gz PMLMHNXRCWNLQV-QMMMGPOBSA-N -1 1 381.317 2.188 20 0 GEADMM C[C@H](CN(C)C(=O)CCCOc1cccc(Br)c1)c1nn[n-]n1 ZINC000124364604 532120279 /nfs/dbraw/zinc/12/02/79/532120279.db2.gz SLQLUNFZGYVPDJ-LLVKDONJSA-N -1 1 382.262 2.383 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000176509636 532139510 /nfs/dbraw/zinc/13/95/10/532139510.db2.gz HVJBLOPOQZUTEA-UHFFFAOYSA-N -1 1 393.288 2.231 20 0 GEADMM COc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000176509636 532139513 /nfs/dbraw/zinc/13/95/13/532139513.db2.gz HVJBLOPOQZUTEA-UHFFFAOYSA-N -1 1 393.288 2.231 20 0 GEADMM CS(=O)(=O)NCc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000176161843 532128482 /nfs/dbraw/zinc/12/84/82/532128482.db2.gz FLJFCNXQLODZSX-UHFFFAOYSA-N -1 1 399.266 2.456 20 0 GEADMM O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Br)cc1[O-] ZINC000125386432 532134869 /nfs/dbraw/zinc/13/48/69/532134869.db2.gz HRJHQRHAYXSKHH-LBPRGKRZSA-N -1 1 382.235 2.413 20 0 GEADMM NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176636908 532144388 /nfs/dbraw/zinc/14/43/88/532144388.db2.gz QSWJKFOPNGNTKM-UHFFFAOYSA-N -1 1 376.459 2.429 20 0 GEADMM CCC[C@@H](NC(=O)c1cccc(C)c1I)c1nn[n-]n1 ZINC000176751235 532148104 /nfs/dbraw/zinc/14/81/04/532148104.db2.gz AGPUFGQDTPPMGT-SNVBAGLBSA-N -1 1 385.209 2.384 20 0 GEADMM CCC[C@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)c1nn[n-]n1 ZINC000176751876 532148240 /nfs/dbraw/zinc/14/82/40/532148240.db2.gz SWHFCIDYUUEBGY-VIFPVBQESA-N -1 1 384.234 2.251 20 0 GEADMM CC[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1)Oc1ccccc1Cl ZINC000177375795 532169229 /nfs/dbraw/zinc/16/92/29/532169229.db2.gz KCZFDSXSPPZQRZ-LLVKDONJSA-N -1 1 386.857 2.429 20 0 GEADMM O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(I)ccc1[O-] ZINC000128995186 532170794 /nfs/dbraw/zinc/17/07/94/532170794.db2.gz HTYGALCXZZTIAS-HOMQSWHASA-N -1 1 375.206 2.278 20 0 GEADMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179311825 532228209 /nfs/dbraw/zinc/22/82/09/532228209.db2.gz AFTWIDDGYXVTQF-JTQLQIEISA-N -1 1 399.669 2.189 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)c1 ZINC000179219050 532225275 /nfs/dbraw/zinc/22/52/75/532225275.db2.gz XQHXQPRSLVLFEX-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000133560348 532238686 /nfs/dbraw/zinc/23/86/86/532238686.db2.gz JFKIFEQBTGJLMV-UHFFFAOYSA-N -1 1 375.219 2.396 20 0 GEADMM O=C(NCc1ccc(Br)cc1N1CCOCC1)c1ncccc1[O-] ZINC000134643310 532260233 /nfs/dbraw/zinc/26/02/33/532260233.db2.gz BSLRSZMQKTXYAQ-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cn1C ZINC000180284388 532265244 /nfs/dbraw/zinc/26/52/44/532265244.db2.gz POWLYCFMUZQHAN-UHFFFAOYSA-N -1 1 377.253 2.230 20 0 GEADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ncccc3Br)cc12 ZINC000135233829 532268695 /nfs/dbraw/zinc/26/86/95/532268695.db2.gz XJMHMYBLJRDKNO-UHFFFAOYSA-N -1 1 382.243 2.235 20 0 GEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccc(Br)cc1C(F)(F)F ZINC000180634679 532276147 /nfs/dbraw/zinc/27/61/47/532276147.db2.gz LFXKQNDIXYTAPX-UHFFFAOYSA-N -1 1 393.163 2.242 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CC2 ZINC000181162546 532292563 /nfs/dbraw/zinc/29/25/63/532292563.db2.gz XAHBNQZDSQFEKL-UHFFFAOYSA-N -1 1 380.491 2.192 20 0 GEADMM CC[C@]([N-]S(=O)(=O)c1cc(Br)ccc1F)(C(N)=O)C(C)C ZINC000181523841 532299961 /nfs/dbraw/zinc/29/99/61/532299961.db2.gz QCBYTJPPLPVKIZ-CYBMUJFWSA-N -1 1 381.267 2.157 20 0 GEADMM O=C(NCC(F)(F)F)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000150841274 532302784 /nfs/dbraw/zinc/30/27/84/532302784.db2.gz SXPIQAAMJBNULR-ZDUSSCGKSA-N -1 1 380.388 2.290 20 0 GEADMM O=C(CS(=O)(=O)c1nc[n-]n1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000150952161 532305007 /nfs/dbraw/zinc/30/50/07/532305007.db2.gz ABTJNLHYCHZAGJ-GFCCVEGCSA-N -1 1 389.264 2.249 20 0 GEADMM C[C@@H](CN(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nn[n-]n1 ZINC000183431438 532325248 /nfs/dbraw/zinc/32/52/48/532325248.db2.gz ZIRMEWLEFHBUJW-JTQLQIEISA-N -1 1 390.245 2.024 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CN1C1CC1 ZINC000185103928 532336798 /nfs/dbraw/zinc/33/67/98/532336798.db2.gz MXFZQMNAMDBPNS-IUCAKERBSA-N -1 1 376.837 2.081 20 0 GEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc2c1CCN2S(C)(=O)=O ZINC000184676797 532334417 /nfs/dbraw/zinc/33/44/17/532334417.db2.gz QRQGMDWPGIPPBF-UHFFFAOYSA-N -1 1 384.454 2.257 20 0 GEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)o1 ZINC000184921257 532335801 /nfs/dbraw/zinc/33/58/01/532335801.db2.gz YMKGGODGJPQEBG-GFCCVEGCSA-N -1 1 381.376 2.267 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)N1CCC[C@@H](C)C1 ZINC000184915138 532335896 /nfs/dbraw/zinc/33/58/96/532335896.db2.gz KBIGKXYNJFAPLQ-MNOVXSKESA-N -1 1 376.425 2.062 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)N1CCC(C)CC1 ZINC000184965606 532336471 /nfs/dbraw/zinc/33/64/71/532336471.db2.gz WWBNUTFMLALMNQ-NSHDSACASA-N -1 1 376.425 2.062 20 0 GEADMM CN(C)C(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)O1 ZINC000188152251 532346881 /nfs/dbraw/zinc/34/68/81/532346881.db2.gz BUCHLKNRUCRNDB-WCBMZHEXSA-N -1 1 399.271 2.047 20 0 GEADMM CC(C)(O)[C@H]1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000189635104 532352989 /nfs/dbraw/zinc/35/29/89/532352989.db2.gz FXWWYSICCBGTLI-GFCCVEGCSA-N -1 1 375.206 2.372 20 0 GEADMM O=C(N[C@@H](CO)c1ccccc1)c1cc(I)ccc1[O-] ZINC000189908973 532354085 /nfs/dbraw/zinc/35/40/85/532354085.db2.gz TVKYIMVUNVNPFB-ZDUSSCGKSA-N -1 1 383.185 2.460 20 0 GEADMM CCCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190637376 532357119 /nfs/dbraw/zinc/35/71/19/532357119.db2.gz SIHJGDULSNXEHX-UHFFFAOYSA-N -1 1 387.658 2.046 20 0 GEADMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190881643 532358531 /nfs/dbraw/zinc/35/85/31/532358531.db2.gz HBWNXRUVBFJOMZ-QQOXFEPMSA-N -1 1 392.699 2.287 20 0 GEADMM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000425218204 532374257 /nfs/dbraw/zinc/37/42/57/532374257.db2.gz CXLVJQRSPLOUIR-SECBINFHSA-N -1 1 385.656 2.073 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-c2csnn2)cc1)C1CCOCC1 ZINC000647125270 532368873 /nfs/dbraw/zinc/36/88/73/532368873.db2.gz JIMMUDZMQVMNCS-MRXNPFEDSA-N -1 1 383.495 2.388 20 0 GEADMM O=C(NCCO[C@H]1CCCCO1)c1ccc(I)c([O-])c1 ZINC000590386512 532370291 /nfs/dbraw/zinc/37/02/91/532370291.db2.gz XWMGQTOLQGIWQQ-ZDUSSCGKSA-N -1 1 391.205 2.270 20 0 GEADMM CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000677746946 532383328 /nfs/dbraw/zinc/38/33/28/532383328.db2.gz JWXSNCGWDCIYRX-UHFFFAOYSA-N -1 1 378.516 2.315 20 0 GEADMM O=C(NC[C@H](O)C1CCOCC1)c1c([O-])cnc2c(Br)cccc21 ZINC000516607674 532387545 /nfs/dbraw/zinc/38/75/45/532387545.db2.gz YZDTUSIWPYJZHR-ZDUSSCGKSA-N -1 1 395.253 2.220 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)Nc3ccccc3)C2)sc1C ZINC000558695425 532396444 /nfs/dbraw/zinc/39/64/44/532396444.db2.gz FKLTXOGFEGHZHO-CQSZACIVSA-N -1 1 380.495 2.345 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)COC1CCCC1)c1ccsc1 ZINC000559070525 532400807 /nfs/dbraw/zinc/40/08/07/532400807.db2.gz BMGYLAJOBULLSJ-SWLSCSKDSA-N -1 1 375.512 2.477 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccco1 ZINC000295130272 532405713 /nfs/dbraw/zinc/40/57/13/532405713.db2.gz AULLFMFJZIUHST-GFCCVEGCSA-N -1 1 393.870 2.003 20 0 GEADMM CCO[C@@H](CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)Nc1nccs1)C1CC1 ZINC000625104947 532407551 /nfs/dbraw/zinc/40/75/51/532407551.db2.gz SZGQILQANMTMPA-KGLIPLIRSA-N -1 1 389.543 2.231 20 0 GEADMM Cc1nnc(N(C)C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000648908814 532409184 /nfs/dbraw/zinc/40/91/84/532409184.db2.gz MNBZGYQUEGBLBM-UHFFFAOYSA-N -1 1 395.293 2.095 20 0 GEADMM O=S(=O)([N-]c1cc([C@H]2CCCOC2)n[nH]1)c1cncc(Br)c1 ZINC000280328144 532412280 /nfs/dbraw/zinc/41/22/80/532412280.db2.gz QARICBVGGNJHLK-VIFPVBQESA-N -1 1 387.259 2.262 20 0 GEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H](O)C(F)(F)F ZINC000591785493 532423377 /nfs/dbraw/zinc/42/33/77/532423377.db2.gz NIYFJNQKTVJOLM-MLUIRONXSA-N -1 1 389.111 2.038 20 0 GEADMM COc1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1[N-]S(C)(=O)=O ZINC000373078645 532430075 /nfs/dbraw/zinc/43/00/75/532430075.db2.gz OQZWOPFNMSDAOE-UHFFFAOYSA-N -1 1 382.463 2.453 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CCC1)c1ccc(Cl)c(F)c1 ZINC000592041909 532436315 /nfs/dbraw/zinc/43/63/15/532436315.db2.gz RZNURSURUNXOIR-HNNXBMFYSA-N -1 1 393.864 2.429 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2cccc(OC)c2)c1 ZINC000427910889 532436669 /nfs/dbraw/zinc/43/66/69/532436669.db2.gz CODAQRNLECIVFS-UHFFFAOYSA-N -1 1 382.463 2.040 20 0 GEADMM CC(C)CN1C[C@@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCN2C1=O ZINC000427811521 532433371 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Cc1noc([C@H](C)S(=O)(=O)c2nnc(COc3ccc(Cl)cc3)[n-]2)n1 ZINC000683687046 532465956 /nfs/dbraw/zinc/46/59/56/532465956.db2.gz OOMHYFDYTBLCPF-QMMMGPOBSA-N -1 1 383.817 2.263 20 0 GEADMM Cc1noc([C@H](C)S(=O)(=O)c2n[n-]c(COc3ccc(Cl)cc3)n2)n1 ZINC000683687046 532465961 /nfs/dbraw/zinc/46/59/61/532465961.db2.gz OOMHYFDYTBLCPF-QMMMGPOBSA-N -1 1 383.817 2.263 20 0 GEADMM CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195112739 532468957 /nfs/dbraw/zinc/46/89/57/532468957.db2.gz GHBVCMLCEDZJLV-LLVKDONJSA-N -1 1 384.889 2.450 20 0 GEADMM CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195112739 532468964 /nfs/dbraw/zinc/46/89/64/532468964.db2.gz GHBVCMLCEDZJLV-LLVKDONJSA-N -1 1 384.889 2.450 20 0 GEADMM CO[C@H](C)c1noc(CS(=O)(=O)c2nnc(-c3ccc(Cl)cc3)[n-]2)n1 ZINC000195111563 532470189 /nfs/dbraw/zinc/47/01/89/532470189.db2.gz UNRQMMKIZOCJCB-MRVPVSSYSA-N -1 1 383.817 2.189 20 0 GEADMM CO[C@H](C)c1noc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000195111563 532470193 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CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000295963934 532490062 /nfs/dbraw/zinc/49/00/62/532490062.db2.gz PVDBNVFGSSBJNQ-MRVPVSSYSA-N -1 1 376.360 2.187 20 0 GEADMM Cc1ccc(C)c(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000282726443 532490832 /nfs/dbraw/zinc/49/08/32/532490832.db2.gz UQSPBOITMXHLAX-UHFFFAOYSA-N -1 1 378.416 2.383 20 0 GEADMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)n1 ZINC000296019606 532493369 /nfs/dbraw/zinc/49/33/69/532493369.db2.gz MYYZOIWBHQFFCI-UHFFFAOYSA-N -1 1 395.666 2.403 20 0 GEADMM O=C([O-])CN1CC[C@H](N2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000629497854 532494796 /nfs/dbraw/zinc/49/47/96/532494796.db2.gz NFWIFVWTYAZULV-KBPBESRZSA-N -1 1 399.310 2.301 20 0 GEADMM O=S(=O)([N-]Cc1ncc2c(n1)CCOC2)c1ccc(Cl)c(F)c1Cl ZINC000651803248 532494903 /nfs/dbraw/zinc/49/49/03/532494903.db2.gz JFXBQCJODJCBJL-UHFFFAOYSA-N -1 1 392.239 2.474 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000685505570 532495024 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CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc(Br)cc2[O-])n1 ZINC000376563099 532618639 /nfs/dbraw/zinc/61/86/39/532618639.db2.gz XGQZTTMDUXNELR-GXSJLCMTSA-N -1 1 382.214 2.048 20 0 GEADMM CCCCn1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)c(C)n1 ZINC000632284617 532597061 /nfs/dbraw/zinc/59/70/61/532597061.db2.gz QZADRFODDUUQBD-ZDUSSCGKSA-N -1 1 379.408 2.307 20 0 GEADMM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C2 ZINC000655649880 532598027 /nfs/dbraw/zinc/59/80/27/532598027.db2.gz RFHOAKTWGDOJPI-QMMMGPOBSA-N -1 1 394.806 2.323 20 0 GEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655661276 532599670 /nfs/dbraw/zinc/59/96/70/532599670.db2.gz CLGDIWHKVIGMEM-MFKMUULPSA-N -1 1 383.436 2.323 20 0 GEADMM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000655661907 532600231 /nfs/dbraw/zinc/60/02/31/532600231.db2.gz KQDZUGRBSUAZJK-WCBMZHEXSA-N -1 1 395.325 2.224 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1C)C1CCCC1 ZINC000656615790 532622310 /nfs/dbraw/zinc/62/23/10/532622310.db2.gz LPYLJODQDSWOPB-MRXNPFEDSA-N -1 1 375.512 2.345 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccc(C)o1 ZINC000474169422 532609384 /nfs/dbraw/zinc/60/93/84/532609384.db2.gz KURHLLDQRVTPPM-LLVKDONJSA-N -1 1 375.244 2.412 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1)[C@@H]1CCOC1 ZINC000656617496 532623171 /nfs/dbraw/zinc/62/31/71/532623171.db2.gz MBYVKTSIZTUPSS-DOMZBBRYSA-N -1 1 385.873 2.319 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1F)[C@@H]1CCOC1 ZINC000656622140 532625428 /nfs/dbraw/zinc/62/54/28/532625428.db2.gz AWFIRCLHQLTSEG-NOZJJQNGSA-N -1 1 382.251 2.381 20 0 GEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Br)c(F)cc2OC)n1 ZINC000656740258 532629931 /nfs/dbraw/zinc/62/99/31/532629931.db2.gz XZRHFFVXMVTUQI-UHFFFAOYSA-N -1 1 379.211 2.078 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)c2ncnn21 ZINC000597936555 532634014 /nfs/dbraw/zinc/63/40/14/532634014.db2.gz ODKSRMBTNWHNBA-GMSGAONNSA-N -1 1 384.177 2.024 20 0 GEADMM CS(=O)(=O)C1(CNC(=O)c2cc(Br)ccc2[O-])CCCC1 ZINC000436676693 532641418 /nfs/dbraw/zinc/64/14/18/532641418.db2.gz SBKKLZSRXFODLY-UHFFFAOYSA-N -1 1 376.272 2.242 20 0 GEADMM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ncccc1Br ZINC000656913833 532644960 /nfs/dbraw/zinc/64/49/60/532644960.db2.gz PCYIHOZMOBIRDT-BXUZGUMPSA-N -1 1 385.283 2.287 20 0 GEADMM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1=O ZINC000567771805 532661813 /nfs/dbraw/zinc/66/18/13/532661813.db2.gz SFOFWHITGAGHSQ-NSHDSACASA-N -1 1 393.278 2.266 20 0 GEADMM CCc1cnc(CNC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)s1 ZINC000438073035 532666849 /nfs/dbraw/zinc/66/68/49/532666849.db2.gz CPRPUFSSZRCJHU-UHFFFAOYSA-N -1 1 384.483 2.407 20 0 GEADMM CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436987338 532647156 /nfs/dbraw/zinc/64/71/56/532647156.db2.gz ITDIBIBTWPIWDI-UHFFFAOYSA-N -1 1 384.274 2.421 20 0 GEADMM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1ncccc1Br ZINC000656980373 532653652 /nfs/dbraw/zinc/65/36/52/532653652.db2.gz 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CO[C@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@@](C)(CO)C1 ZINC000634065020 532671139 /nfs/dbraw/zinc/67/11/39/532671139.db2.gz ASUOPAJODPNKEY-BMLIUANNSA-N -1 1 395.253 2.315 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)o1 ZINC000298788292 532673582 /nfs/dbraw/zinc/67/35/82/532673582.db2.gz ZNLSVDZAWBUSCB-UHFFFAOYSA-N -1 1 383.451 2.052 20 0 GEADMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000600436508 532675181 /nfs/dbraw/zinc/67/51/81/532675181.db2.gz BAPZBVHTCBCDTH-GXFFZTMASA-N -1 1 386.242 2.243 20 0 GEADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486596822 532691415 /nfs/dbraw/zinc/69/14/15/532691415.db2.gz COHLUOSUECUDCR-BXKDBHETSA-N -1 1 392.253 2.477 20 0 GEADMM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000536393129 532691891 /nfs/dbraw/zinc/69/18/91/532691891.db2.gz OVXLOJDBGLVOPZ-UHFFFAOYSA-N -1 1 378.516 2.268 20 0 GEADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439568496 532697288 /nfs/dbraw/zinc/69/72/88/532697288.db2.gz IJZPBABKNFKTGP-UHFFFAOYSA-N -1 1 376.459 2.429 20 0 GEADMM CC(C)(C)OC(=O)CSCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000536938746 532700425 /nfs/dbraw/zinc/70/04/25/532700425.db2.gz FAACDMPNXXKHQV-UHFFFAOYSA-N -1 1 392.474 2.211 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCOC)c(Cl)c2)o1 ZINC000298958476 532687760 /nfs/dbraw/zinc/68/77/60/532687760.db2.gz KVVIQYFWHJCNHQ-UHFFFAOYSA-N -1 1 388.829 2.119 20 0 GEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(F)cc(S(N)(=O)=O)c1 ZINC000392223618 532708286 /nfs/dbraw/zinc/70/82/86/532708286.db2.gz JZOJHYYJEMCIPU-UHFFFAOYSA-N -1 1 376.406 2.030 20 0 GEADMM O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1[O-] ZINC000299323575 532711114 /nfs/dbraw/zinc/71/11/14/532711114.db2.gz NTQRFZCKNPPPAP-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc(C)c1Cl ZINC000442220500 532728859 /nfs/dbraw/zinc/72/88/59/532728859.db2.gz JGARYQSIVRIIEN-UHFFFAOYSA-N -1 1 379.825 2.287 20 0 GEADMM CS(=O)(=O)CC1(CN(CC(=O)[O-])Cc2cccc(Br)c2)CC1 ZINC000575323552 532719583 /nfs/dbraw/zinc/71/95/83/532719583.db2.gz ZEVOFWMYSMYXHO-UHFFFAOYSA-N -1 1 390.299 2.161 20 0 GEADMM COc1ccc(Br)c(CS(=O)(=O)[N-]CC(=O)OC(C)(C)C)c1 ZINC000410119382 532733986 /nfs/dbraw/zinc/73/39/86/532733986.db2.gz JWZAYORDJXIINK-UHFFFAOYSA-N -1 1 394.287 2.219 20 0 GEADMM CC(=O)N1C[C@@H]2CCC[C@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3F)[C@H]2C1 ZINC000578693637 532739023 /nfs/dbraw/zinc/73/90/23/532739023.db2.gz NZONWTNXOVZAON-GVXVVHGQSA-N -1 1 376.400 2.029 20 0 GEADMM CC(C)C(CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)C ZINC000447764652 532757167 /nfs/dbraw/zinc/75/71/67/532757167.db2.gz JPRDFIJJMAGSIT-UHFFFAOYSA-N -1 1 380.507 2.404 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1ccc(Br)cc1 ZINC000447757093 532757494 /nfs/dbraw/zinc/75/74/94/532757494.db2.gz IDUTZKYYJWNSLK-CQSZACIVSA-N -1 1 399.266 2.345 20 0 GEADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)n1 ZINC000451031694 532760311 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Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c(Br)n1C ZINC000287002100 532778228 /nfs/dbraw/zinc/77/82/28/532778228.db2.gz UDCVIIBFRWQCNI-VXGBXAGGSA-N -1 1 388.262 2.465 20 0 GEADMM C[C@@H]1[C@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000287008221 532779400 /nfs/dbraw/zinc/77/94/00/532779400.db2.gz FNRACLGVZNZHSV-IUODEOHRSA-N -1 1 380.491 2.388 20 0 GEADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(I)ccc1[O-] ZINC000313545391 532779602 /nfs/dbraw/zinc/77/96/02/532779602.db2.gz NWYABBQUAHPNFO-HUUCEWRRSA-N -1 1 395.196 2.385 20 0 GEADMM COCc1nnc(S(=O)(=O)Cc2ccc(Br)cc2Cl)[n-]1 ZINC000268489459 532766491 /nfs/dbraw/zinc/76/64/91/532766491.db2.gz NYTSHSUALULOOI-UHFFFAOYSA-N -1 1 380.651 2.341 20 0 GEADMM COCc1nc(S(=O)(=O)Cc2ccc(Br)cc2Cl)n[n-]1 ZINC000268489459 532766497 /nfs/dbraw/zinc/76/64/97/532766497.db2.gz NYTSHSUALULOOI-UHFFFAOYSA-N -1 1 380.651 2.341 20 0 GEADMM C[C@@H](C[S@@](C)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000302169402 532767547 /nfs/dbraw/zinc/76/75/47/532767547.db2.gz PPOKLEAOVCKHGC-CCGUKBGLSA-N -1 1 389.449 2.340 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1O ZINC000509435741 532769359 /nfs/dbraw/zinc/76/93/59/532769359.db2.gz LCXVXHZIXPOBHU-NEPJUHHUSA-N -1 1 382.265 2.362 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCOC1 ZINC000509463485 532770905 /nfs/dbraw/zinc/77/09/05/532770905.db2.gz MWIZCILAXSVMGN-DTWKUNHWSA-N -1 1 382.265 2.483 20 0 GEADMM O=S(=O)([N-]CCOc1ncccc1Cl)c1ccc(Br)o1 ZINC000544721313 532782796 /nfs/dbraw/zinc/78/27/96/532782796.db2.gz JIHARSPUZGJBMS-UHFFFAOYSA-N -1 1 381.635 2.448 20 0 GEADMM CCc1ncc(S(=O)(=O)[N-]c2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000545187529 532783768 /nfs/dbraw/zinc/78/37/68/532783768.db2.gz VZKHRUMSMNKCLL-UHFFFAOYSA-N -1 1 380.539 2.254 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545956341 532785023 /nfs/dbraw/zinc/78/50/23/532785023.db2.gz VKENXIYHTWXUSY-CQSZACIVSA-N -1 1 379.404 2.378 20 0 GEADMM C[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H](C(=O)[O-])C1 ZINC000319305277 532785825 /nfs/dbraw/zinc/78/58/25/532785825.db2.gz OWJUXQDEFSXFAC-BXUZGUMPSA-N -1 1 390.299 2.408 20 0 GEADMM CCc1ncsc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000269713871 532787310 /nfs/dbraw/zinc/78/73/10/532787310.db2.gz PEBJWGQHVXGANI-UHFFFAOYSA-N -1 1 381.479 2.448 20 0 GEADMM O=C([O-])CN1CCCN(S(=O)(=O)c2csc3ccc(Cl)cc32)CC1 ZINC000547907867 532788196 /nfs/dbraw/zinc/78/81/96/532788196.db2.gz KTNODSYZMSBMCJ-UHFFFAOYSA-N -1 1 388.898 2.336 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H](CCCO)C1 ZINC000457153444 532788321 /nfs/dbraw/zinc/78/83/21/532788321.db2.gz YYWKTDFSFZRWPQ-SNVBAGLBSA-N -1 1 375.206 2.231 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000548207819 532789262 /nfs/dbraw/zinc/78/92/62/532789262.db2.gz STUBCYSMKKBZPF-JTQLQIEISA-N -1 1 397.762 2.056 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)c(Cl)c1 ZINC000327784633 532792614 /nfs/dbraw/zinc/79/26/14/532792614.db2.gz YUWIDWHQXAMRBK-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM NC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000287465097 532797024 /nfs/dbraw/zinc/79/70/24/532797024.db2.gz PHFWUQSARPTPDW-MRVPVSSYSA-N -1 1 384.260 2.202 20 0 GEADMM Cc1nnc([C@@H]2CCN(C(=O)c3ccc(I)c([O-])c3)C2)[nH]1 ZINC000412790430 532800594 /nfs/dbraw/zinc/80/05/94/532800594.db2.gz YYILRAMPBWMDBI-SNVBAGLBSA-N -1 1 398.204 2.053 20 0 GEADMM O=C(CCc1cncs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000556688989 532811973 /nfs/dbraw/zinc/81/19/73/532811973.db2.gz HCVNLDJNJSISGT-UHFFFAOYSA-N -1 1 381.479 2.205 20 0 GEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)n1 ZINC000329813754 532812084 /nfs/dbraw/zinc/81/20/84/532812084.db2.gz DNEAYQKUGGCCFU-ZETCQYMHSA-N -1 1 388.243 2.115 20 0 GEADMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000288161003 532819077 /nfs/dbraw/zinc/81/90/77/532819077.db2.gz OFRTXWNBDZHZES-NXEZZACHSA-N -1 1 382.349 2.444 20 0 GEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000414369796 532822881 /nfs/dbraw/zinc/82/28/81/532822881.db2.gz FOMGJZGWZWEDDE-UHFFFAOYSA-N -1 1 375.830 2.354 20 0 GEADMM COC(C)(C)CS(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000414373121 532822991 /nfs/dbraw/zinc/82/29/91/532822991.db2.gz LKZSQUKJEJCFJK-UHFFFAOYSA-N -1 1 396.506 2.069 20 0 GEADMM Cc1nncn1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000414452701 532828000 /nfs/dbraw/zinc/82/80/00/532828000.db2.gz AAAOMJKEGCCQMH-UHFFFAOYSA-N -1 1 397.657 2.120 20 0 GEADMM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1Br ZINC000414471584 532830229 /nfs/dbraw/zinc/83/02/29/532830229.db2.gz PGAVFZQTTIZRAK-UHFFFAOYSA-N -1 1 399.270 2.408 20 0 GEADMM Cc1n[nH]c([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1Br ZINC000414472836 532830387 /nfs/dbraw/zinc/83/03/87/532830387.db2.gz TVWQFQZIUBDSAU-UHFFFAOYSA-N -1 1 388.169 2.034 20 0 GEADMM CC[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000288534756 532830598 /nfs/dbraw/zinc/83/05/98/532830598.db2.gz DCQBZKFFDUPKJV-GXSJLCMTSA-N -1 1 376.272 2.192 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2csc(Br)c2)C1=O ZINC000414652627 532834073 /nfs/dbraw/zinc/83/40/73/532834073.db2.gz HHWFNTLMEOFLFL-ZYHUDNBSSA-N -1 1 375.288 2.310 20 0 GEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2csc(Br)c2)C1=O ZINC000414652623 532834168 /nfs/dbraw/zinc/83/41/68/532834168.db2.gz HHWFNTLMEOFLFL-JQWIXIFHSA-N -1 1 375.288 2.310 20 0 GEADMM C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000288773795 532837469 /nfs/dbraw/zinc/83/74/69/532837469.db2.gz BFWDZUDHMGNPKF-MNOVXSKESA-N -1 1 394.273 2.067 20 0 GEADMM O=C(c1ccc(Br)cc1[O-])N1CCN(c2ncc(F)cn2)CC1 ZINC000274136006 532841861 /nfs/dbraw/zinc/84/18/61/532841861.db2.gz DCJINKJIAFPWAM-UHFFFAOYSA-N -1 1 381.205 2.046 20 0 GEADMM NC(=O)[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000289359009 532852978 /nfs/dbraw/zinc/85/29/78/532852978.db2.gz INPYUFJPEJVNGK-LLVKDONJSA-N -1 1 378.226 2.183 20 0 GEADMM O=S(=O)(c1cc(C(F)(F)F)ccc1[O-])N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000332377716 532853562 /nfs/dbraw/zinc/85/35/62/532853562.db2.gz YERBURQGZXFUQQ-SECBINFHSA-N -1 1 376.360 2.097 20 0 GEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2Br)no1 ZINC000289464373 532855707 /nfs/dbraw/zinc/85/57/07/532855707.db2.gz GVQZOEYXTWEOIA-SECBINFHSA-N -1 1 390.259 2.408 20 0 GEADMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)NC(=O)NC1CCCCC1 ZINC000332591456 532857449 /nfs/dbraw/zinc/85/74/49/532857449.db2.gz FYQZNIGPTHIWMQ-UHFFFAOYSA-N -1 1 378.376 2.452 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCOCC2)sc1C ZINC000333074978 532863704 /nfs/dbraw/zinc/86/37/04/532863704.db2.gz VSRNODQHGSTJFL-ZDUSSCGKSA-N -1 1 387.552 2.173 20 0 GEADMM COc1ccc([C@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1Br ZINC000416127676 532864571 /nfs/dbraw/zinc/86/45/71/532864571.db2.gz TVYMSAQFQSFYNK-ZETCQYMHSA-N -1 1 398.213 2.159 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000416139130 532864914 /nfs/dbraw/zinc/86/49/14/532864914.db2.gz PKTYPTZOKMTTRN-QMMMGPOBSA-N -1 1 382.214 2.492 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO ZINC000289871002 532866374 /nfs/dbraw/zinc/86/63/74/532866374.db2.gz NRYBRZUMROQLPW-GFCCVEGCSA-N -1 1 377.919 2.482 20 0 GEADMM O=S(=O)([N-]C[C@]1(O)CCSC1)c1cc(Br)sc1Cl ZINC000333331392 532866853 /nfs/dbraw/zinc/86/68/53/532866853.db2.gz MWOZIANNHNSNEG-SECBINFHSA-N -1 1 392.749 2.310 20 0 GEADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1cc(I)ccc1[O-] ZINC000416355506 532871580 /nfs/dbraw/zinc/87/15/80/532871580.db2.gz SYLMYKAFHSEESV-VIFPVBQESA-N -1 1 396.175 2.066 20 0 GEADMM CC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOCC1 ZINC000290415755 532879939 /nfs/dbraw/zinc/87/99/39/532879939.db2.gz OFUQYGAGFRQWBM-UHFFFAOYSA-N -1 1 395.308 2.205 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCC2(C)C)c1 ZINC000349596016 532883565 /nfs/dbraw/zinc/88/35/65/532883565.db2.gz ZAMXUQPDMBOMDR-UHFFFAOYSA-N -1 1 389.543 2.116 20 0 GEADMM CC(C)c1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@H]1C ZINC000349477183 532881383 /nfs/dbraw/zinc/88/13/83/532881383.db2.gz IIIBLYYSSMIJFY-UONOGXRCSA-N -1 1 389.543 2.007 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c(=O)[n-]1 ZINC000290620720 532885228 /nfs/dbraw/zinc/88/52/28/532885228.db2.gz FTSJZVZQCAONDD-GFCCVEGCSA-N -1 1 381.889 2.469 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC[C@H]1CCCCO1 ZINC000290719654 532887617 /nfs/dbraw/zinc/88/76/17/532887617.db2.gz NDIPPJYIZBALOH-LLVKDONJSA-N -1 1 395.308 2.347 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCO[C@]2(CCOC2)C1 ZINC000290762449 532888972 /nfs/dbraw/zinc/88/89/72/532888972.db2.gz OUBVDJPRVWUYJC-QGZVFWFLSA-N -1 1 393.237 2.334 20 0 GEADMM C[C@@]1(O)CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000290786924 532889243 /nfs/dbraw/zinc/88/92/43/532889243.db2.gz CRDAMNUQYQHVFH-OAHLLOKOSA-N -1 1 395.308 2.035 20 0 GEADMM CS(=O)(=O)c1ccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000276349303 532894463 /nfs/dbraw/zinc/89/44/63/532894463.db2.gz NNOAEUJNSQYPFJ-UHFFFAOYSA-N -1 1 379.463 2.194 20 0 GEADMM O=C(CSCc1ccccn1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291047710 532896055 /nfs/dbraw/zinc/89/60/55/532896055.db2.gz GSZBQRRPIWMNHH-LBPRGKRZSA-N -1 1 375.416 2.232 20 0 GEADMM COCC1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000291446665 532901890 /nfs/dbraw/zinc/90/18/90/532901890.db2.gz ZREDPYQELMOBQY-UHFFFAOYSA-N -1 1 395.308 2.157 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1Cl ZINC000363932682 532902250 /nfs/dbraw/zinc/90/22/50/532902250.db2.gz FRZJVYTVUMDIQV-JTQLQIEISA-N -1 1 384.845 2.033 20 0 GEADMM CCC[C@H](NC(=O)c1cc(Br)cc(C(=O)OC)c1)c1nn[n-]n1 ZINC000291907235 532910545 /nfs/dbraw/zinc/91/05/45/532910545.db2.gz KQTBGMGZZSHURK-NSHDSACASA-N -1 1 382.218 2.020 20 0 GEADMM O=S(=O)([N-]Cc1nnc(-c2ccncc2F)s1)c1cc(F)ccc1F ZINC000366521717 532918540 /nfs/dbraw/zinc/91/85/40/532918540.db2.gz BDLYKIWKOIMJBD-UHFFFAOYSA-N -1 1 386.380 2.496 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1Cl ZINC000366747551 532920697 /nfs/dbraw/zinc/92/06/97/532920697.db2.gz MGELFGVCNRHBFG-UONOGXRCSA-N -1 1 377.857 2.094 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000367214082 532923600 /nfs/dbraw/zinc/92/36/00/532923600.db2.gz ZNLAOAZITSRNPU-FXAINCCUSA-N -1 1 380.249 2.378 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000367711048 532926803 /nfs/dbraw/zinc/92/68/03/532926803.db2.gz WZQLROWJIBBUOQ-ZETCQYMHSA-N -1 1 383.817 2.308 20 0 GEADMM CCc1csc(CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)n1 ZINC000368485785 532932794 /nfs/dbraw/zinc/93/27/94/532932794.db2.gz XNGACRWLWZSKJV-AWEZNQCLSA-N -1 1 380.836 2.459 20 0 GEADMM O=C(CCCOc1ccc(Cl)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370862050 532945855 /nfs/dbraw/zinc/94/58/55/532945855.db2.gz ZOYUAOKXGRYMGW-CYBMUJFWSA-N -1 1 386.239 2.266 20 0 GEADMM C[C@@H](Cc1nc(-c2ccccc2)no1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000371215605 532947366 /nfs/dbraw/zinc/94/73/66/532947366.db2.gz MDFVFDDPXWINEJ-JTQLQIEISA-N -1 1 381.845 2.033 20 0 GEADMM CCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010512369 221103913 /nfs/dbraw/zinc/10/39/13/221103913.db2.gz LFERACXEBMXMBD-UHFFFAOYSA-N -1 1 383.495 2.170 20 0 GEADMM Cc1ccc(F)c(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000057115980 222028202 /nfs/dbraw/zinc/02/82/02/222028202.db2.gz LGXQNLYGUFMDFB-UHFFFAOYSA-N -1 1 376.406 2.446 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000064467698 222070871 /nfs/dbraw/zinc/07/08/71/222070871.db2.gz OHFXTTLVYMWVPN-UHFFFAOYSA-N -1 1 394.396 2.414 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(CCCS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000738372525 598825338 /nfs/dbraw/zinc/82/53/38/598825338.db2.gz RQQYLUORDZWVPB-UHFFFAOYSA-N -1 1 395.444 2.046 20 0 GEADMM CN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736827481 598872745 /nfs/dbraw/zinc/87/27/45/598872745.db2.gz DUWRJORPBSKUET-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736827481 598872746 /nfs/dbraw/zinc/87/27/46/598872746.db2.gz DUWRJORPBSKUET-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000737091367 598873535 /nfs/dbraw/zinc/87/35/35/598873535.db2.gz ULXNXNKXCGKIDM-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000737091367 598873536 /nfs/dbraw/zinc/87/35/36/598873536.db2.gz ULXNXNKXCGKIDM-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736817302 598873885 /nfs/dbraw/zinc/87/38/85/598873885.db2.gz XOMUZBQPJGLSKD-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736817302 598873886 /nfs/dbraw/zinc/87/38/86/598873886.db2.gz XOMUZBQPJGLSKD-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC2(c3cccc(F)c3)CC2)cc1-c1nn[n-]n1 ZINC000737187314 598891825 /nfs/dbraw/zinc/89/18/25/598891825.db2.gz PZXSFPWGPCFDCD-UHFFFAOYSA-N -1 1 386.412 2.247 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC3(CC3)c3ccccc32)cc1-c1nn[n-]n1 ZINC000737186531 598892228 /nfs/dbraw/zinc/89/22/28/598892228.db2.gz JALKSXBQJAECHG-UHFFFAOYSA-N -1 1 380.433 2.381 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000737301646 598930129 /nfs/dbraw/zinc/93/01/29/598930129.db2.gz PGPXXTFWFOKCAJ-UHFFFAOYSA-N -1 1 381.421 2.162 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000737301402 598930145 /nfs/dbraw/zinc/93/01/45/598930145.db2.gz LVDGTJSDXPHRQE-UHFFFAOYSA-N -1 1 387.421 2.483 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000737301403 598930246 /nfs/dbraw/zinc/93/02/46/598930246.db2.gz LVPRRXYJENPRGM-UHFFFAOYSA-N -1 1 387.421 2.137 20 0 GEADMM COc1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc(OC)c1OC ZINC000737047361 598935113 /nfs/dbraw/zinc/93/51/13/598935113.db2.gz NAHCZJGRBDRGSV-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM COc1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc(OC)c1OC ZINC000737047361 598935114 /nfs/dbraw/zinc/93/51/14/598935114.db2.gz NAHCZJGRBDRGSV-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM COc1cccc2c1OC[C@@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000737142617 598937248 /nfs/dbraw/zinc/93/72/48/598937248.db2.gz LGOLKDJDUPRZLO-LBPRGKRZSA-N -1 1 375.392 2.234 20 0 GEADMM COc1cccc2c1OC[C@@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000737142617 598937249 /nfs/dbraw/zinc/93/72/49/598937249.db2.gz LGOLKDJDUPRZLO-LBPRGKRZSA-N -1 1 375.392 2.234 20 0 GEADMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000737016300 598946756 /nfs/dbraw/zinc/94/67/56/598946756.db2.gz VXQJXIHGQAYCSQ-UHFFFAOYSA-N -1 1 389.437 2.001 20 0 GEADMM COCC(=O)Nc1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736966690 598958377 /nfs/dbraw/zinc/95/83/77/598958377.db2.gz XUFCMRIIGIAGLS-UHFFFAOYSA-N -1 1 376.380 2.138 20 0 GEADMM COCC(=O)Nc1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736966690 598958379 /nfs/dbraw/zinc/95/83/79/598958379.db2.gz XUFCMRIIGIAGLS-UHFFFAOYSA-N -1 1 376.380 2.138 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000821343617 607255523 /nfs/dbraw/zinc/25/55/23/607255523.db2.gz QLJRWSYAFMQBOT-UHFFFAOYSA-N -1 1 387.421 2.153 20 0 GEADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736819697 598973809 /nfs/dbraw/zinc/97/38/09/598973809.db2.gz HOZOFPQPQIKKSR-UHFFFAOYSA-N -1 1 384.874 2.017 20 0 GEADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736819697 598973811 /nfs/dbraw/zinc/97/38/11/598973811.db2.gz HOZOFPQPQIKKSR-UHFFFAOYSA-N -1 1 384.874 2.017 20 0 GEADMM O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738190443 598985948 /nfs/dbraw/zinc/98/59/48/598985948.db2.gz NQMBJFIWQWSFRO-UHFFFAOYSA-N -1 1 389.375 2.037 20 0 GEADMM O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738190443 598985949 /nfs/dbraw/zinc/98/59/49/598985949.db2.gz NQMBJFIWQWSFRO-UHFFFAOYSA-N -1 1 389.375 2.037 20 0 GEADMM O=C(Nc1nccs1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738149209 598991902 /nfs/dbraw/zinc/99/19/02/598991902.db2.gz BWJOEGVUGRIGIC-UHFFFAOYSA-N -1 1 392.404 2.223 20 0 GEADMM O=C(Nc1nccs1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738149209 598991903 /nfs/dbraw/zinc/99/19/03/598991903.db2.gz BWJOEGVUGRIGIC-UHFFFAOYSA-N -1 1 392.404 2.223 20 0 GEADMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736311919 598994046 /nfs/dbraw/zinc/99/40/46/598994046.db2.gz BECFOVOMGYHHMG-UHFFFAOYSA-N -1 1 379.424 2.432 20 0 GEADMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736311919 598994047 /nfs/dbraw/zinc/99/40/47/598994047.db2.gz BECFOVOMGYHHMG-UHFFFAOYSA-N -1 1 379.424 2.432 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2F)C[C@@H](C)O1 ZINC000736293012 598994090 /nfs/dbraw/zinc/99/40/90/598994090.db2.gz MUVDHWSZQKPTHE-VXGBXAGGSA-N -1 1 397.414 2.267 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2F)C[C@@H](C)O1 ZINC000736293012 598994091 /nfs/dbraw/zinc/99/40/91/598994091.db2.gz MUVDHWSZQKPTHE-VXGBXAGGSA-N -1 1 397.414 2.267 20 0 GEADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1C(=O)N1CCCC1 ZINC000737217371 599000102 /nfs/dbraw/zinc/00/01/02/599000102.db2.gz DRYLQEMVQAFRDN-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1C(=O)N1CCCC1 ZINC000737217371 599000104 /nfs/dbraw/zinc/00/01/04/599000104.db2.gz DRYLQEMVQAFRDN-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000738260057 599000804 /nfs/dbraw/zinc/00/08/04/599000804.db2.gz YBKSYCIJIXGPKN-MRXNPFEDSA-N -1 1 382.399 2.222 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000738260057 599000806 /nfs/dbraw/zinc/00/08/06/599000806.db2.gz YBKSYCIJIXGPKN-MRXNPFEDSA-N -1 1 382.399 2.222 20 0 GEADMM COc1ccc(-c2nsc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000737061582 599003158 /nfs/dbraw/zinc/00/31/58/599003158.db2.gz BBKFLQZVOWZMGT-UHFFFAOYSA-N -1 1 380.393 2.041 20 0 GEADMM COc1ccc(-c2nsc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000737061582 599003160 /nfs/dbraw/zinc/00/31/60/599003160.db2.gz BBKFLQZVOWZMGT-UHFFFAOYSA-N -1 1 380.393 2.041 20 0 GEADMM C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736227977 599005955 /nfs/dbraw/zinc/00/59/55/599005955.db2.gz MSKNOYUNMLIDAH-DTWKUNHWSA-N -1 1 375.376 2.305 20 0 GEADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736818957 599020605 /nfs/dbraw/zinc/02/06/05/599020605.db2.gz DZTQBALMQOFNRI-UHFFFAOYSA-N -1 1 378.314 2.433 20 0 GEADMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736818957 599020606 /nfs/dbraw/zinc/02/06/06/599020606.db2.gz DZTQBALMQOFNRI-UHFFFAOYSA-N -1 1 378.314 2.433 20 0 GEADMM CC(C)[C@H](O)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735732954 599023245 /nfs/dbraw/zinc/02/32/45/599023245.db2.gz DAAJNEZAOVLVRV-CQSZACIVSA-N -1 1 386.481 2.411 20 0 GEADMM Cc1ccc(-c2nc(CCNC(=O)c3ccc(-c4nnn[n-]4)nc3)co2)cc1 ZINC000737288608 599028538 /nfs/dbraw/zinc/02/85/38/599028538.db2.gz PBTDPXWYLBSRMQ-UHFFFAOYSA-N -1 1 375.392 2.198 20 0 GEADMM Cc1ccc(-c2nc(CCNC(=O)c3ccc(-c4nn[n-]n4)nc3)co2)cc1 ZINC000737288608 599028539 /nfs/dbraw/zinc/02/85/39/599028539.db2.gz PBTDPXWYLBSRMQ-UHFFFAOYSA-N -1 1 375.392 2.198 20 0 GEADMM O=C(N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738035083 599028960 /nfs/dbraw/zinc/02/89/60/599028960.db2.gz JDELJVMLYAPAHK-MRXNPFEDSA-N -1 1 398.430 2.006 20 0 GEADMM O=C(N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738035083 599028963 /nfs/dbraw/zinc/02/89/63/599028963.db2.gz JDELJVMLYAPAHK-MRXNPFEDSA-N -1 1 398.430 2.006 20 0 GEADMM O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738088549 599029009 /nfs/dbraw/zinc/02/90/09/599029009.db2.gz RAHCCIREDYJLKO-UHFFFAOYSA-N -1 1 379.355 2.028 20 0 GEADMM O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738088549 599029010 /nfs/dbraw/zinc/02/90/10/599029010.db2.gz RAHCCIREDYJLKO-UHFFFAOYSA-N -1 1 379.355 2.028 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000737225976 599029572 /nfs/dbraw/zinc/02/95/72/599029572.db2.gz WSVDHUDHGGPFFY-UHFFFAOYSA-N -1 1 399.411 2.301 20 0 GEADMM CCc1cnc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)s1 ZINC000821499050 599060079 /nfs/dbraw/zinc/06/00/79/599060079.db2.gz CCKQZNFDTNWIBU-UHFFFAOYSA-N -1 1 382.906 2.322 20 0 GEADMM CCc1cnc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)s1 ZINC000821499050 599060081 /nfs/dbraw/zinc/06/00/81/599060081.db2.gz CCKQZNFDTNWIBU-UHFFFAOYSA-N -1 1 382.906 2.322 20 0 GEADMM COc1ccc(CN2CC[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000737091723 599063695 /nfs/dbraw/zinc/06/36/95/599063695.db2.gz XUGUEUKGXUBDDZ-CQSZACIVSA-N -1 1 399.842 2.137 20 0 GEADMM COc1ccc(CN2CC[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000737091723 599063696 /nfs/dbraw/zinc/06/36/96/599063696.db2.gz XUGUEUKGXUBDDZ-CQSZACIVSA-N -1 1 399.842 2.137 20 0 GEADMM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021422 599083274 /nfs/dbraw/zinc/08/32/74/599083274.db2.gz BXOZBMBJWDKWKQ-CYBMUJFWSA-N -1 1 383.843 2.314 20 0 GEADMM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021422 599083277 /nfs/dbraw/zinc/08/32/77/599083277.db2.gz BXOZBMBJWDKWKQ-CYBMUJFWSA-N -1 1 383.843 2.314 20 0 GEADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccc(Br)cc1 ZINC000820280746 599091963 /nfs/dbraw/zinc/09/19/63/599091963.db2.gz NPZWBYFYHUBATB-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccc(Br)cc1 ZINC000820280746 599091966 /nfs/dbraw/zinc/09/19/66/599091966.db2.gz NPZWBYFYHUBATB-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccc(Br)cc1 ZINC000820280745 599092501 /nfs/dbraw/zinc/09/25/01/599092501.db2.gz NPZWBYFYHUBATB-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccc(Br)cc1 ZINC000820280745 599092504 /nfs/dbraw/zinc/09/25/04/599092504.db2.gz NPZWBYFYHUBATB-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000737548955 599096837 /nfs/dbraw/zinc/09/68/37/599096837.db2.gz RUSZQIJUZYPZNO-DAXOMENPSA-N -1 1 396.451 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000737548955 599096839 /nfs/dbraw/zinc/09/68/39/599096839.db2.gz RUSZQIJUZYPZNO-DAXOMENPSA-N -1 1 396.451 2.492 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000737189162 599099710 /nfs/dbraw/zinc/09/97/10/599099710.db2.gz KIKFHAHQUAOUDV-PWSUYJOCSA-N -1 1 388.497 2.142 20 0 GEADMM CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736407596 599132191 /nfs/dbraw/zinc/13/21/91/599132191.db2.gz AGXISHVJJOJDDU-CQSZACIVSA-N -1 1 398.448 2.016 20 0 GEADMM CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736407596 599132194 /nfs/dbraw/zinc/13/21/94/599132194.db2.gz AGXISHVJJOJDDU-CQSZACIVSA-N -1 1 398.448 2.016 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Br)cc1 ZINC000737908989 599133391 /nfs/dbraw/zinc/13/33/91/599133391.db2.gz OKHACEKSZORFQV-UHFFFAOYSA-N -1 1 388.181 2.064 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Br)cc1 ZINC000737908989 599133393 /nfs/dbraw/zinc/13/33/93/599133393.db2.gz OKHACEKSZORFQV-UHFFFAOYSA-N -1 1 388.181 2.064 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)c1ccccc1 ZINC000735735285 599133898 /nfs/dbraw/zinc/13/38/98/599133898.db2.gz QKRVONNYSXUCKL-MRXNPFEDSA-N -1 1 380.408 2.106 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)c1ccccc1 ZINC000735735285 599133900 /nfs/dbraw/zinc/13/39/00/599133900.db2.gz QKRVONNYSXUCKL-MRXNPFEDSA-N -1 1 380.408 2.106 20 0 GEADMM CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737191161 599136833 /nfs/dbraw/zinc/13/68/33/599136833.db2.gz RETPPMDTCAVALJ-JTQLQIEISA-N -1 1 384.421 2.168 20 0 GEADMM CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737191161 599136838 /nfs/dbraw/zinc/13/68/38/599136838.db2.gz RETPPMDTCAVALJ-JTQLQIEISA-N -1 1 384.421 2.168 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccccc1F ZINC000735733595 599140407 /nfs/dbraw/zinc/14/04/07/599140407.db2.gz HKSULYPDVIPHHY-HNNXBMFYSA-N -1 1 384.371 2.221 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccccc1F ZINC000735733595 599140409 /nfs/dbraw/zinc/14/04/09/599140409.db2.gz HKSULYPDVIPHHY-HNNXBMFYSA-N -1 1 384.371 2.221 20 0 GEADMM Nc1n[nH]c(CCCNc2ncc(C(F)(F)F)cc2Cl)c1-c1nn[n-]n1 ZINC000822899641 599161973 /nfs/dbraw/zinc/16/19/73/599161973.db2.gz MXQJHMJXCWHPGA-UHFFFAOYSA-N -1 1 387.757 2.284 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1-c1nn[n-]n1 ZINC000737185741 599184059 /nfs/dbraw/zinc/18/40/59/599184059.db2.gz CBIHQNVOBHKPEC-UHFFFAOYSA-N -1 1 394.420 2.332 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822234026 599219039 /nfs/dbraw/zinc/21/90/39/599219039.db2.gz ZZRBHIQSDKLTLC-YJBOKZPZSA-N -1 1 378.436 2.468 20 0 GEADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822234026 599219041 /nfs/dbraw/zinc/21/90/41/599219041.db2.gz ZZRBHIQSDKLTLC-YJBOKZPZSA-N -1 1 378.436 2.468 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1Cc2ccccc2C1 ZINC000737198643 599224891 /nfs/dbraw/zinc/22/48/91/599224891.db2.gz BTOGCZCICNSRTP-UHFFFAOYSA-N -1 1 392.463 2.048 20 0 GEADMM O=C([O-])C1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000740482183 596924787 /nfs/dbraw/zinc/92/47/87/596924787.db2.gz PNPQUMRRRSECEY-KRWDZBQOSA-N -1 1 388.464 2.308 20 0 GEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)NCc3ccc(C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000817818097 596944678 /nfs/dbraw/zinc/94/46/78/596944678.db2.gz AXVPQGUOICXJCT-AWEZNQCLSA-N -1 1 387.440 2.084 20 0 GEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)NCc3ccc(C(=O)[O-])cc3)CCO2)[nH]1 ZINC000817818097 596944680 /nfs/dbraw/zinc/94/46/80/596944680.db2.gz AXVPQGUOICXJCT-AWEZNQCLSA-N -1 1 387.440 2.084 20 0 GEADMM CS[C@H]1CCC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737169605 599227161 /nfs/dbraw/zinc/22/71/61/599227161.db2.gz BVEQXJLYDHDRHU-STQMWFEESA-N -1 1 390.513 2.307 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOc2ccc(Cl)cc21 ZINC000738355310 599237767 /nfs/dbraw/zinc/23/77/67/599237767.db2.gz OGECTSWEWMUZRK-UHFFFAOYSA-N -1 1 395.803 2.247 20 0 GEADMM COC(=O)c1cccc(NC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000821670199 607307245 /nfs/dbraw/zinc/30/72/45/607307245.db2.gz RLPSZCMYZKCHOR-UHFFFAOYSA-N -1 1 379.424 2.129 20 0 GEADMM COC(=O)c1cccc(NC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000821670199 607307246 /nfs/dbraw/zinc/30/72/46/607307246.db2.gz RLPSZCMYZKCHOR-UHFFFAOYSA-N -1 1 379.424 2.129 20 0 GEADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1)N1CCC(O)CC1 ZINC000823493516 607315398 /nfs/dbraw/zinc/31/53/98/607315398.db2.gz OXOIAZRLCNHUMX-UHFFFAOYSA-N -1 1 384.465 2.137 20 0 GEADMM CCOC(=O)CCN(Cc1cccnc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821330887 607304479 /nfs/dbraw/zinc/30/44/79/607304479.db2.gz WZJPSIOIJKUQAJ-UHFFFAOYSA-N -1 1 387.831 2.270 20 0 GEADMM CCOC(=O)CCN(Cc1cccnc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821330887 607304480 /nfs/dbraw/zinc/30/44/80/607304480.db2.gz WZJPSIOIJKUQAJ-UHFFFAOYSA-N -1 1 387.831 2.270 20 0 GEADMM O=C(O[C@@H](CSc1nc[nH]n1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823392133 607323755 /nfs/dbraw/zinc/32/37/55/607323755.db2.gz LFHMCFOTYNCPOZ-AWEZNQCLSA-N -1 1 394.420 2.070 20 0 GEADMM O=C(O[C@@H](CSc1nc[nH]n1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392133 607323756 /nfs/dbraw/zinc/32/37/56/607323756.db2.gz LFHMCFOTYNCPOZ-AWEZNQCLSA-N -1 1 394.420 2.070 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cc(F)ccc1F ZINC000737202273 598241268 /nfs/dbraw/zinc/24/12/68/598241268.db2.gz ZLAASVDDJITAEZ-UHFFFAOYSA-N -1 1 388.378 2.111 20 0 GEADMM O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345502 598259709 /nfs/dbraw/zinc/25/97/09/598259709.db2.gz PIGJLTHIIRSMLP-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345502 598259711 /nfs/dbraw/zinc/25/97/11/598259711.db2.gz PIGJLTHIIRSMLP-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=S(=O)(NCC1(c2ccccc2)CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341875 598263059 /nfs/dbraw/zinc/26/30/59/598263059.db2.gz HINRHQJDZSFAPR-UHFFFAOYSA-N -1 1 384.465 2.052 20 0 GEADMM O=S(=O)(NCC1(c2ccccc2)CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341875 598263061 /nfs/dbraw/zinc/26/30/61/598263061.db2.gz HINRHQJDZSFAPR-UHFFFAOYSA-N -1 1 384.465 2.052 20 0 GEADMM CCCCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736455496 598269991 /nfs/dbraw/zinc/26/99/91/598269991.db2.gz ADOQDCKTDWEUEH-UHFFFAOYSA-N -1 1 390.444 2.392 20 0 GEADMM CCCCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736455496 598269992 /nfs/dbraw/zinc/26/99/92/598269992.db2.gz ADOQDCKTDWEUEH-UHFFFAOYSA-N -1 1 390.444 2.392 20 0 GEADMM CCOc1ccc(C2(CNc3nccnc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000736635366 598348115 /nfs/dbraw/zinc/34/81/15/598348115.db2.gz AXLIQVAZESBRDZ-UHFFFAOYSA-N -1 1 381.440 2.216 20 0 GEADMM CCOc1ccc(C2(CNc3nccnc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000736635366 598348117 /nfs/dbraw/zinc/34/81/17/598348117.db2.gz AXLIQVAZESBRDZ-UHFFFAOYSA-N -1 1 381.440 2.216 20 0 GEADMM COc1cc(CNc2nccnc2-c2nnn[n-]2)cc(Br)c1OC ZINC000737046304 598351897 /nfs/dbraw/zinc/35/18/97/598351897.db2.gz AKPSXONUVUCRIC-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM COc1cc(CNc2nccnc2-c2nn[n-]n2)cc(Br)c1OC ZINC000737046304 598351899 /nfs/dbraw/zinc/35/18/99/598351899.db2.gz AKPSXONUVUCRIC-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM CCc1nn(C[C@H](O)c2ccc3ccccc3c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706044 598374447 /nfs/dbraw/zinc/37/44/47/598374447.db2.gz SHFBYMYLVVCRMG-SFHVURJKSA-N -1 1 390.447 2.435 20 0 GEADMM CCc1nn(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705827 598377799 /nfs/dbraw/zinc/37/77/99/598377799.db2.gz POMOSXGJEJNUGZ-UHFFFAOYSA-N -1 1 395.467 2.310 20 0 GEADMM O=C(CC(F)(F)F)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737808955 598394154 /nfs/dbraw/zinc/39/41/54/598394154.db2.gz SJDJQADTZBZZFA-UHFFFAOYSA-N -1 1 395.798 2.332 20 0 GEADMM O=C(CC(F)(F)F)N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737808955 598394156 /nfs/dbraw/zinc/39/41/56/598394156.db2.gz SJDJQADTZBZZFA-UHFFFAOYSA-N -1 1 395.798 2.332 20 0 GEADMM CC(=O)c1csc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000735505003 598411064 /nfs/dbraw/zinc/41/10/64/598411064.db2.gz QNRUMZBPGDXDHM-UHFFFAOYSA-N -1 1 389.393 2.136 20 0 GEADMM COc1cc(Br)c(CNc2nccnc2-c2nnn[n-]2)cc1OC ZINC000737031936 598420706 /nfs/dbraw/zinc/42/07/06/598420706.db2.gz HQXCYQYRZMNZLG-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM COc1cc(Br)c(CNc2nccnc2-c2nn[n-]n2)cc1OC ZINC000737031936 598420708 /nfs/dbraw/zinc/42/07/08/598420708.db2.gz HQXCYQYRZMNZLG-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM Cc1noc(C)c1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737535899 598422862 /nfs/dbraw/zinc/42/28/62/598422862.db2.gz DXIZAZRODSMLJR-UHFFFAOYSA-N -1 1 381.396 2.136 20 0 GEADMM Cc1noc(C)c1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737535899 598422863 /nfs/dbraw/zinc/42/28/63/598422863.db2.gz DXIZAZRODSMLJR-UHFFFAOYSA-N -1 1 381.396 2.136 20 0 GEADMM COc1ccc(-c2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c(F)c2)c(F)c1 ZINC000737056393 598429572 /nfs/dbraw/zinc/42/95/72/598429572.db2.gz KWFNXQDIZINEFI-UHFFFAOYSA-N -1 1 397.345 2.288 20 0 GEADMM CSc1nc(C)c(CCC(=O)OCc2ccc(-c3nn[nH]n3)cc2)c(=O)[n-]1 ZINC000737189109 598433609 /nfs/dbraw/zinc/43/36/09/598433609.db2.gz IPRUEPNTRVIWNV-UHFFFAOYSA-N -1 1 386.437 2.069 20 0 GEADMM CC(=O)c1c(C)[nH]c(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1C ZINC000735496897 598502200 /nfs/dbraw/zinc/50/22/00/598502200.db2.gz LZJDBPYZUNCQGC-UHFFFAOYSA-N -1 1 390.403 2.212 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCc1ccc(Cl)cc1 ZINC000737981144 598504825 /nfs/dbraw/zinc/50/48/25/598504825.db2.gz IUDQYIZBKQKMIE-UHFFFAOYSA-N -1 1 394.822 2.151 20 0 GEADMM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000735831795 598542557 /nfs/dbraw/zinc/54/25/57/598542557.db2.gz VQGZXSAYARICGF-QGZVFWFLSA-N -1 1 389.423 2.132 20 0 GEADMM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000735831795 598542558 /nfs/dbraw/zinc/54/25/58/598542558.db2.gz VQGZXSAYARICGF-QGZVFWFLSA-N -1 1 389.423 2.132 20 0 GEADMM CCCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736450917 598574311 /nfs/dbraw/zinc/57/43/11/598574311.db2.gz IDAYYLQGRLWIMT-UHFFFAOYSA-N -1 1 377.880 2.438 20 0 GEADMM CCCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736450917 598574312 /nfs/dbraw/zinc/57/43/12/598574312.db2.gz IDAYYLQGRLWIMT-UHFFFAOYSA-N -1 1 377.880 2.438 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c(=O)[n-]1 ZINC000737188593 598587706 /nfs/dbraw/zinc/58/77/06/598587706.db2.gz CHTRJHCSXFHJRF-UHFFFAOYSA-N -1 1 389.416 2.103 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(Cc2cccs2)no1 ZINC000737198454 598608730 /nfs/dbraw/zinc/60/87/30/598608730.db2.gz ICJYHIQUAZWIST-UHFFFAOYSA-N -1 1 383.437 2.405 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344739 598616533 /nfs/dbraw/zinc/61/65/33/598616533.db2.gz ZRDKSPFIBZUWGA-RDJZCZTQSA-N -1 1 398.492 2.342 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344739 598616535 /nfs/dbraw/zinc/61/65/35/598616535.db2.gz ZRDKSPFIBZUWGA-RDJZCZTQSA-N -1 1 398.492 2.342 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC2CC(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737185642 598618982 /nfs/dbraw/zinc/61/89/82/598618982.db2.gz AEQFQDHZHGKXSH-UHFFFAOYSA-N -1 1 382.449 2.365 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737550524 598622023 /nfs/dbraw/zinc/62/20/23/598622023.db2.gz AEDVBZZIARKBOL-CYBMUJFWSA-N -1 1 397.391 2.125 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000738355752 598689391 /nfs/dbraw/zinc/68/93/91/598689391.db2.gz RNSSESKNFVLVHX-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000738356127 598689781 /nfs/dbraw/zinc/68/97/81/598689781.db2.gz XEQLSLATIMUQAI-CQSZACIVSA-N -1 1 387.440 2.402 20 0 GEADMM COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737099394 598692229 /nfs/dbraw/zinc/69/22/29/598692229.db2.gz MPZIZMISWCEHKD-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000737201093 598694944 /nfs/dbraw/zinc/69/49/44/598694944.db2.gz QHJAGTQMFOYPLH-CYBMUJFWSA-N -1 1 382.424 2.126 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(-c3ccc(F)cc3)no2)c2ccccc12 ZINC000738372835 598720913 /nfs/dbraw/zinc/72/09/13/598720913.db2.gz WREAYXVEWNCCDI-UHFFFAOYSA-N -1 1 389.350 2.419 20 0 GEADMM Cc1nc(C)n([C@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)n1 ZINC000737473095 599297020 /nfs/dbraw/zinc/29/70/20/599297020.db2.gz DPONAMSFOFEHPU-AWEZNQCLSA-N -1 1 375.440 2.465 20 0 GEADMM Cc1nc(C)n([C@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)n1 ZINC000737473095 599297022 /nfs/dbraw/zinc/29/70/22/599297022.db2.gz DPONAMSFOFEHPU-AWEZNQCLSA-N -1 1 375.440 2.465 20 0 GEADMM O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000738345457 599317800 /nfs/dbraw/zinc/31/78/00/599317800.db2.gz MWCGFNDJIXYXFZ-UHFFFAOYSA-N -1 1 393.841 2.326 20 0 GEADMM O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000738345378 599317830 /nfs/dbraw/zinc/31/78/30/599317830.db2.gz LABOAXYJNVEMSJ-UHFFFAOYSA-N -1 1 393.841 2.326 20 0 GEADMM Cc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000822237191 599338513 /nfs/dbraw/zinc/33/85/13/599338513.db2.gz JEGRAJROIHOUAT-UHFFFAOYSA-N -1 1 377.401 2.261 20 0 GEADMM Cc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000822237191 599338515 /nfs/dbraw/zinc/33/85/15/599338515.db2.gz JEGRAJROIHOUAT-UHFFFAOYSA-N -1 1 377.401 2.261 20 0 GEADMM CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821094440 599342420 /nfs/dbraw/zinc/34/24/20/599342420.db2.gz JKAAORJHJOITBP-ZDUSSCGKSA-N -1 1 399.904 2.490 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@H](c2ccco2)C1 ZINC000823600993 599343630 /nfs/dbraw/zinc/34/36/30/599343630.db2.gz NTTZYHLGIBIRQY-JTQLQIEISA-N -1 1 379.829 2.291 20 0 GEADMM CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820943984 599345188 /nfs/dbraw/zinc/34/51/88/599345188.db2.gz FNXRVGHGFWKSQD-ZDUSSCGKSA-N -1 1 376.417 2.173 20 0 GEADMM CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820943984 599345191 /nfs/dbraw/zinc/34/51/91/599345191.db2.gz FNXRVGHGFWKSQD-ZDUSSCGKSA-N -1 1 376.417 2.173 20 0 GEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820666498 599361751 /nfs/dbraw/zinc/36/17/51/599361751.db2.gz IFQUBIUFDLPQQS-MEDUHNTESA-N -1 1 388.428 2.173 20 0 GEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820666498 599361754 /nfs/dbraw/zinc/36/17/54/599361754.db2.gz IFQUBIUFDLPQQS-MEDUHNTESA-N -1 1 388.428 2.173 20 0 GEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820669027 599368618 /nfs/dbraw/zinc/36/86/18/599368618.db2.gz YTYFWVVIRFZFSN-BZNIZROVSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820669027 599368621 /nfs/dbraw/zinc/36/86/21/599368621.db2.gz YTYFWVVIRFZFSN-BZNIZROVSA-N -1 1 388.428 2.173 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000823601092 599373215 /nfs/dbraw/zinc/37/32/15/599373215.db2.gz QIISPQLKLADYOE-HNNXBMFYSA-N -1 1 377.376 2.281 20 0 GEADMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736951261 599382312 /nfs/dbraw/zinc/38/23/12/599382312.db2.gz QHWZNFSHAITYCU-UHFFFAOYSA-N -1 1 393.812 2.108 20 0 GEADMM COc1cc(OC)cc([C@H](Nc2cccc(-c3nnn[n-]3)n2)c2nccn2C)c1 ZINC000737051970 599400047 /nfs/dbraw/zinc/40/00/47/599400047.db2.gz NZUBWPHFSQOGQM-KRWDZBQOSA-N -1 1 392.423 2.214 20 0 GEADMM COc1cc(OC)cc([C@H](Nc2cccc(-c3nn[n-]n3)n2)c2nccn2C)c1 ZINC000737051970 599400049 /nfs/dbraw/zinc/40/00/49/599400049.db2.gz NZUBWPHFSQOGQM-KRWDZBQOSA-N -1 1 392.423 2.214 20 0 GEADMM O=C(c1cccc2ccccc21)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738279865 599404970 /nfs/dbraw/zinc/40/49/70/599404970.db2.gz XCIDZGKKEMCWRH-UHFFFAOYSA-N -1 1 385.431 2.377 20 0 GEADMM O=C(c1cccc2ccccc21)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738279865 599404971 /nfs/dbraw/zinc/40/49/71/599404971.db2.gz XCIDZGKKEMCWRH-UHFFFAOYSA-N -1 1 385.431 2.377 20 0 GEADMM Clc1ccc([C@H](CNc2cccc(-c3nnn[n-]3)n2)N2CCOCC2)cc1 ZINC000737570147 599420948 /nfs/dbraw/zinc/42/09/48/599420948.db2.gz CIRFBECJUXAGSL-INIZCTEOSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1ccc([C@H](CNc2cccc(-c3nn[n-]n3)n2)N2CCOCC2)cc1 ZINC000737570147 599420949 /nfs/dbraw/zinc/42/09/49/599420949.db2.gz CIRFBECJUXAGSL-INIZCTEOSA-N -1 1 385.859 2.401 20 0 GEADMM O=C1[C@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000738296111 599439689 /nfs/dbraw/zinc/43/96/89/599439689.db2.gz KFBYTONSHJVANN-CYBMUJFWSA-N -1 1 389.341 2.498 20 0 GEADMM O=C1[C@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000738296111 599439691 /nfs/dbraw/zinc/43/96/91/599439691.db2.gz KFBYTONSHJVANN-CYBMUJFWSA-N -1 1 389.341 2.498 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824104696 607380372 /nfs/dbraw/zinc/38/03/72/607380372.db2.gz WRZJCYAIBACOKO-SFHVURJKSA-N -1 1 388.428 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824104696 607380374 /nfs/dbraw/zinc/38/03/74/607380374.db2.gz WRZJCYAIBACOKO-SFHVURJKSA-N -1 1 388.428 2.095 20 0 GEADMM O=C(NCCNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1F ZINC000823201119 599491995 /nfs/dbraw/zinc/49/19/95/599491995.db2.gz ABMPVBBFTRXDJF-UHFFFAOYSA-N -1 1 377.383 2.396 20 0 GEADMM O=C(NCCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1F ZINC000823201119 599491997 /nfs/dbraw/zinc/49/19/97/599491997.db2.gz ABMPVBBFTRXDJF-UHFFFAOYSA-N -1 1 377.383 2.396 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC(C)C ZINC000820637195 599492146 /nfs/dbraw/zinc/49/21/46/599492146.db2.gz XJCWUIBKDRBWEU-HNNXBMFYSA-N -1 1 388.428 2.408 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC(C)C ZINC000820637195 599492148 /nfs/dbraw/zinc/49/21/48/599492148.db2.gz XJCWUIBKDRBWEU-HNNXBMFYSA-N -1 1 388.428 2.408 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820634774 599492174 /nfs/dbraw/zinc/49/21/74/599492174.db2.gz JKJSMZSGEQCNDD-CQSZACIVSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820634774 599492176 /nfs/dbraw/zinc/49/21/76/599492176.db2.gz JKJSMZSGEQCNDD-CQSZACIVSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C ZINC000820636071 599492184 /nfs/dbraw/zinc/49/21/84/599492184.db2.gz PSUCWKYLFHMODJ-HNNXBMFYSA-N -1 1 397.370 2.208 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C ZINC000820636071 599492186 /nfs/dbraw/zinc/49/21/86/599492186.db2.gz PSUCWKYLFHMODJ-HNNXBMFYSA-N -1 1 397.370 2.208 20 0 GEADMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C1CC1 ZINC000821033725 599492221 /nfs/dbraw/zinc/49/22/21/599492221.db2.gz DYIPBXJQKBMBKD-HNNXBMFYSA-N -1 1 386.412 2.306 20 0 GEADMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C1CC1 ZINC000821033725 599492223 /nfs/dbraw/zinc/49/22/23/599492223.db2.gz DYIPBXJQKBMBKD-HNNXBMFYSA-N -1 1 386.412 2.306 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC1CC1 ZINC000820636364 599492235 /nfs/dbraw/zinc/49/22/35/599492235.db2.gz RSJOBWQUDDLAKU-OAHLLOKOSA-N -1 1 386.412 2.162 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC1CC1 ZINC000820636364 599492239 /nfs/dbraw/zinc/49/22/39/599492239.db2.gz RSJOBWQUDDLAKU-OAHLLOKOSA-N -1 1 386.412 2.162 20 0 GEADMM Cc1oc(NC(=O)COC(=O)C2(c3ccccc3F)CC2)c(-c2nn[n-]n2)c1C ZINC000737554029 599499584 /nfs/dbraw/zinc/49/95/84/599499584.db2.gz ZPMZTQCJBQEHQM-UHFFFAOYSA-N -1 1 399.382 2.429 20 0 GEADMM CN(C[C@@H]1CCCN1c1cccnn1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821596701 599531733 /nfs/dbraw/zinc/53/17/33/599531733.db2.gz RTSDLEDWXXNTNL-AWEZNQCLSA-N -1 1 387.451 2.310 20 0 GEADMM CN(C[C@@H]1CCCN1c1cccnn1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821596701 599531734 /nfs/dbraw/zinc/53/17/34/599531734.db2.gz RTSDLEDWXXNTNL-AWEZNQCLSA-N -1 1 387.451 2.310 20 0 GEADMM Cc1ccc(N2CC[C@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2=O)cc1 ZINC000822241183 599588750 /nfs/dbraw/zinc/58/87/50/599588750.db2.gz NNNVNRISQXQTBX-KRWDZBQOSA-N -1 1 385.431 2.363 20 0 GEADMM Cc1ccc(N2CC[C@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2=O)cc1 ZINC000822241183 599588752 /nfs/dbraw/zinc/58/87/52/599588752.db2.gz NNNVNRISQXQTBX-KRWDZBQOSA-N -1 1 385.431 2.363 20 0 GEADMM CCO[C@H]1C[C@H](OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000736612504 599618017 /nfs/dbraw/zinc/61/80/17/599618017.db2.gz PFVRLGVKQNUDMW-KBPBESRZSA-N -1 1 389.456 2.264 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1c2ccccc2OC[C@H]1C ZINC000822005037 599634640 /nfs/dbraw/zinc/63/46/40/599634640.db2.gz NLJHWHOQQZCLFY-LLVKDONJSA-N -1 1 394.435 2.331 20 0 GEADMM CCc1noc([C@@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000821553907 599651149 /nfs/dbraw/zinc/65/11/49/599651149.db2.gz LYCIBAHJLJRRAR-SNVBAGLBSA-N -1 1 383.368 2.422 20 0 GEADMM CCc1noc([C@@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000821553907 599651150 /nfs/dbraw/zinc/65/11/50/599651150.db2.gz LYCIBAHJLJRRAR-SNVBAGLBSA-N -1 1 383.368 2.422 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cnc3ccsc3c2)c(-c2nn[n-]n2)c1C ZINC000822549390 599667315 /nfs/dbraw/zinc/66/73/15/599667315.db2.gz YQXXCNJMZPOZRI-UHFFFAOYSA-N -1 1 398.404 2.482 20 0 GEADMM O=C([O-])C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000738564186 599755657 /nfs/dbraw/zinc/75/56/57/599755657.db2.gz QRXJGXBPIUBAQM-MRXNPFEDSA-N -1 1 380.404 2.015 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)[O-])ccc1C ZINC000738136413 599759060 /nfs/dbraw/zinc/75/90/60/599759060.db2.gz KPETXMLBBOWWIM-LBPRGKRZSA-N -1 1 392.433 2.007 20 0 GEADMM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738669167 599764831 /nfs/dbraw/zinc/76/48/31/599764831.db2.gz BCYMGUAWROGCKG-UKRRQHHQSA-N -1 1 376.434 2.283 20 0 GEADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738229180 599808759 /nfs/dbraw/zinc/80/87/59/599808759.db2.gz JJSCLHIHLRKEER-UHFFFAOYSA-N -1 1 380.364 2.219 20 0 GEADMM CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736931652 599839773 /nfs/dbraw/zinc/83/97/73/599839773.db2.gz HOVFCDXFFCPVGS-YWZLYKJASA-N -1 1 389.452 2.139 20 0 GEADMM COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)CCC(=O)[O-])c1 ZINC000738106121 599874422 /nfs/dbraw/zinc/87/44/22/599874422.db2.gz JKHZFONLIASSBJ-UHFFFAOYSA-N -1 1 378.406 2.164 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000737359646 599876730 /nfs/dbraw/zinc/87/67/30/599876730.db2.gz BZYZBAIEQYDUFY-OAHLLOKOSA-N -1 1 389.477 2.123 20 0 GEADMM CS[C@@H]1CCCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821956511 607405798 /nfs/dbraw/zinc/40/57/98/607405798.db2.gz QDASEJADGUFJMR-CYBMUJFWSA-N -1 1 390.513 2.261 20 0 GEADMM COC(=O)[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1cc(F)ccc1F ZINC000737575985 599938345 /nfs/dbraw/zinc/93/83/45/599938345.db2.gz DDRMJWNYEVSQQN-OAHLLOKOSA-N -1 1 399.371 2.164 20 0 GEADMM CC[C@@H]1CN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC[N@H+]1CCOC ZINC000736943164 599960954 /nfs/dbraw/zinc/96/09/54/599960954.db2.gz IZNQNEGERVUGTC-NVXWUHKLSA-N -1 1 377.485 2.063 20 0 GEADMM CC[C@@H]1CN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1CCOC ZINC000736943164 599960956 /nfs/dbraw/zinc/96/09/56/599960956.db2.gz IZNQNEGERVUGTC-NVXWUHKLSA-N -1 1 377.485 2.063 20 0 GEADMM Cc1ccc2c(=O)c(C(=O)NC[C@@H](Cc3cccc(F)c3)C(=O)[O-])c[n-]c2[nH+]1 ZINC000738663784 599984374 /nfs/dbraw/zinc/98/43/74/599984374.db2.gz DAFKNLVCJHNUGK-CYBMUJFWSA-N -1 1 383.379 2.456 20 0 GEADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000590263618 600005795 /nfs/dbraw/zinc/00/57/95/600005795.db2.gz VOSDVAWVDWXBNS-UHFFFAOYSA-N -1 1 396.808 2.342 20 0 GEADMM O=C([O-])C1CCN(C(=O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000738545651 600014537 /nfs/dbraw/zinc/01/45/37/600014537.db2.gz ZOBQYCIRRLMGKU-LJQANCHMSA-N -1 1 394.899 2.409 20 0 GEADMM Cc1cc(NC(=O)NCc2cccnc2N2CCN(C)CC2)ccc1C(=O)[O-] ZINC000738444332 600015340 /nfs/dbraw/zinc/01/53/40/600015340.db2.gz NOFCQPMVGXBTPP-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccco1 ZINC000737084523 600048664 /nfs/dbraw/zinc/04/86/64/600048664.db2.gz ALDUAZNXDCRIQM-MRXNPFEDSA-N -1 1 387.436 2.424 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000738348249 600103855 /nfs/dbraw/zinc/10/38/55/600103855.db2.gz ZLYDPPAVIVUGAH-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736587059 600115887 /nfs/dbraw/zinc/11/58/87/600115887.db2.gz UDKUGRKYZWFJNB-OAHLLOKOSA-N -1 1 394.541 2.152 20 0 GEADMM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000736337103 600155780 /nfs/dbraw/zinc/15/57/80/600155780.db2.gz NFELEFDGHPQJOH-UHFFFAOYSA-N -1 1 376.457 2.486 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)CC1 ZINC000736770036 600201385 /nfs/dbraw/zinc/20/13/85/600201385.db2.gz YJYDIMFVNAOLEU-UHFFFAOYSA-N -1 1 391.443 2.185 20 0 GEADMM COC(=O)c1cc(NC(=O)CN2CCc3ccccc3CC2)cc(C(=O)[O-])c1 ZINC000737665454 600217137 /nfs/dbraw/zinc/21/71/37/600217137.db2.gz IFPQBZUEHVUFPR-UHFFFAOYSA-N -1 1 382.416 2.211 20 0 GEADMM C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736722835 600224827 /nfs/dbraw/zinc/22/48/27/600224827.db2.gz FBKXHNOKQWXDKI-ZDUSSCGKSA-N -1 1 378.450 2.482 20 0 GEADMM C[C@H]1Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2NC1=O ZINC000736837655 600230392 /nfs/dbraw/zinc/23/03/92/600230392.db2.gz SRKDRBDDRHUYBJ-SSDOTTSWSA-N -1 1 398.343 2.183 20 0 GEADMM C[NH+](C)CCCOc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000737370044 600243766 /nfs/dbraw/zinc/24/37/66/600243766.db2.gz OLPKCBLRUKXBDE-UHFFFAOYSA-N -1 1 392.477 2.445 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738049956 600293017 /nfs/dbraw/zinc/29/30/17/600293017.db2.gz VLVCYWKFQSHYJN-XJKSGUPXSA-N -1 1 376.453 2.068 20 0 GEADMM CCOc1cc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)ccc1OCC(=O)[O-] ZINC000737183388 600298157 /nfs/dbraw/zinc/29/81/57/600298157.db2.gz XOQMMGRQHXCZTH-GOEBONIOSA-N -1 1 376.453 2.248 20 0 GEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736217260 600309563 /nfs/dbraw/zinc/30/95/63/600309563.db2.gz AIAHNVZMMIXJCP-RHSMWYFYSA-N -1 1 385.464 2.327 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723474 600312786 /nfs/dbraw/zinc/31/27/86/600312786.db2.gz GHQAXRDAPBKGSK-XJKSGUPXSA-N -1 1 399.422 2.414 20 0 GEADMM CN(CCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)Cc1ccccc1 ZINC000737442138 600312973 /nfs/dbraw/zinc/31/29/73/600312973.db2.gz GINMWBDRKKISKA-UHFFFAOYSA-N -1 1 389.839 2.225 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736652626 600331511 /nfs/dbraw/zinc/33/15/11/600331511.db2.gz JCEVJADMRMHCLK-LBPRGKRZSA-N -1 1 395.419 2.430 20 0 GEADMM CC(C)C[C@@H](NC(=O)CN1CCC(CN2CCc3ccccc32)CC1)C(=O)[O-] ZINC000736413782 600335956 /nfs/dbraw/zinc/33/59/56/600335956.db2.gz UZCGFXCTWWGWQX-LJQANCHMSA-N -1 1 387.524 2.377 20 0 GEADMM O=C([O-])c1ccc(Cl)c(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000739451041 600341643 /nfs/dbraw/zinc/34/16/43/600341643.db2.gz YCPWIZDVPHVJGB-UHFFFAOYSA-N -1 1 399.794 2.078 20 0 GEADMM O=C([O-])c1ccc(Cl)c(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000739451041 600341646 /nfs/dbraw/zinc/34/16/46/600341646.db2.gz YCPWIZDVPHVJGB-UHFFFAOYSA-N -1 1 399.794 2.078 20 0 GEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390454049 600344977 /nfs/dbraw/zinc/34/49/77/600344977.db2.gz BPYIXXWBFCPPQN-CQSZACIVSA-N -1 1 376.478 2.492 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390566695 600345639 /nfs/dbraw/zinc/34/56/39/600345639.db2.gz TZENHZKHLNXFPN-HNNXBMFYSA-N -1 1 376.478 2.492 20 0 GEADMM COC(=O)c1c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000737652743 600371091 /nfs/dbraw/zinc/37/10/91/600371091.db2.gz WVPSLSBBDOURDD-MNOVXSKESA-N -1 1 382.482 2.251 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000738519596 600377674 /nfs/dbraw/zinc/37/76/74/600377674.db2.gz SQJREDIXKCKIBB-WBVHZDCISA-N -1 1 387.480 2.355 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1-c1nn[n-]n1 ZINC000821978742 607439924 /nfs/dbraw/zinc/43/99/24/607439924.db2.gz MPASEWZJKUQXKM-BYCMXARLSA-N -1 1 394.460 2.147 20 0 GEADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000736465882 600394072 /nfs/dbraw/zinc/39/40/72/600394072.db2.gz NBGNPCYNGMNXSK-UHFFFAOYSA-N -1 1 399.373 2.410 20 0 GEADMM Nc1nc(CN2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)nc2ccccc12 ZINC000738451081 600396606 /nfs/dbraw/zinc/39/66/06/600396606.db2.gz OSPNMIVSVJGZSQ-IBGZPJMESA-N -1 1 377.448 2.156 20 0 GEADMM O=C([O-])[C@@H](c1ccccc1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000517948697 600405587 /nfs/dbraw/zinc/40/55/87/600405587.db2.gz HYWZUIGNTIUNDM-FUHWJXTLSA-N -1 1 392.452 2.394 20 0 GEADMM O=C([O-])[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000739514521 600409547 /nfs/dbraw/zinc/40/95/47/600409547.db2.gz SUQONWPJIWRINK-JOCHJYFZSA-N -1 1 393.487 2.409 20 0 GEADMM Cc1cc(CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)oc1C(=O)[O-] ZINC000738382933 600437087 /nfs/dbraw/zinc/43/70/87/600437087.db2.gz PLRSVMYLJXGROZ-UHFFFAOYSA-N -1 1 381.473 2.271 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000737361399 600466603 /nfs/dbraw/zinc/46/66/03/600466603.db2.gz NQXHZIFXALLKDD-MRXNPFEDSA-N -1 1 388.399 2.273 20 0 GEADMM O=C([O-])CCCOc1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000739686528 600547504 /nfs/dbraw/zinc/54/75/04/600547504.db2.gz ROTRSDMAZUQFTC-QGZVFWFLSA-N -1 1 375.469 2.310 20 0 GEADMM COC(=O)c1c(NC(=O)CNC2(C(=O)[O-])CCCC2)sc2c1CCCC2 ZINC000566302107 600559085 /nfs/dbraw/zinc/55/90/85/600559085.db2.gz SHEFVINQKSNBKA-UHFFFAOYSA-N -1 1 380.466 2.339 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)N3CCC(C(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000736812756 600559904 /nfs/dbraw/zinc/55/99/04/600559904.db2.gz CWSOBUWQIBHFIF-HOTGVXAUSA-N -1 1 389.496 2.302 20 0 GEADMM C[S@](=O)Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738179656 600612533 /nfs/dbraw/zinc/61/25/33/600612533.db2.gz KXNMQNSSVHMXEU-DEOSSOPVSA-N -1 1 389.401 2.342 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c[nH]1 ZINC000299649131 600676545 /nfs/dbraw/zinc/67/65/45/600676545.db2.gz WYAZWPFUJMUNMN-UHFFFAOYSA-N -1 1 377.422 2.186 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C(=O)[O-])c1 ZINC000504657782 600677768 /nfs/dbraw/zinc/67/77/68/600677768.db2.gz IPOLMYRXFCIAJK-UHFFFAOYSA-N -1 1 398.780 2.282 20 0 GEADMM CC1CCC(N2CCN(S(=O)(=O)Cc3ccccc3C(=O)[O-])CC2)CC1 ZINC000828226024 600750598 /nfs/dbraw/zinc/75/05/98/600750598.db2.gz NWZYYIZQVZEHHM-UHFFFAOYSA-N -1 1 380.510 2.411 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000827687959 600763634 /nfs/dbraw/zinc/76/36/34/600763634.db2.gz PJZZSSRRNFAEST-STQMWFEESA-N -1 1 392.415 2.286 20 0 GEADMM CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000737370372 600763942 /nfs/dbraw/zinc/76/39/42/600763942.db2.gz PPENFNCHMWBFBA-UHFFFAOYSA-N -1 1 398.525 2.283 20 0 GEADMM COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013349858 600807842 /nfs/dbraw/zinc/80/78/42/600807842.db2.gz KMAMUADRUFZZDW-UHFFFAOYSA-N -1 1 378.406 2.461 20 0 GEADMM CCc1nnc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)o1 ZINC000438726186 600817191 /nfs/dbraw/zinc/81/71/91/600817191.db2.gz PTBJGSALIVGPQN-UHFFFAOYSA-N -1 1 376.394 2.137 20 0 GEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCC(=O)N1CCC[C@H]1C)CC2 ZINC000832103450 600817358 /nfs/dbraw/zinc/81/73/58/600817358.db2.gz QRBXQLIDLDSNRH-PBHICJAKSA-N -1 1 390.480 2.479 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)c(C(=O)[O-])c1C ZINC000825930069 600833615 /nfs/dbraw/zinc/83/36/15/600833615.db2.gz VXJNQVBGUOUARL-UHFFFAOYSA-N -1 1 386.383 2.141 20 0 GEADMM Cc1nnc(SCC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)[nH]1 ZINC000832991717 600835647 /nfs/dbraw/zinc/83/56/47/600835647.db2.gz ZETBRWXYAQAFMQ-LLVKDONJSA-N -1 1 399.270 2.300 20 0 GEADMM Cc1n[nH]c(SCC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)n1 ZINC000832991717 600835649 /nfs/dbraw/zinc/83/56/49/600835649.db2.gz ZETBRWXYAQAFMQ-LLVKDONJSA-N -1 1 399.270 2.300 20 0 GEADMM O=C([O-])c1ccsc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000833134592 600865955 /nfs/dbraw/zinc/86/59/55/600865955.db2.gz RZHFLDQSVUDEEM-LBPRGKRZSA-N -1 1 393.490 2.400 20 0 GEADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(O)c1 ZINC000506662252 600894307 /nfs/dbraw/zinc/89/43/07/600894307.db2.gz QXMLUAFPFCKFEW-UHFFFAOYSA-N -1 1 379.390 2.376 20 0 GEADMM C[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000736662290 600904633 /nfs/dbraw/zinc/90/46/33/600904633.db2.gz NJLWOAMHNISABS-LBPRGKRZSA-N -1 1 376.434 2.078 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000738531489 600904755 /nfs/dbraw/zinc/90/47/55/600904755.db2.gz IASWVGBDABYEAJ-ZDUSSCGKSA-N -1 1 390.461 2.386 20 0 GEADMM Cc1cccc(N2CCN(CCC(=O)Nc3nc(CC(=O)[O-])cs3)CC2)c1 ZINC000738310907 600906126 /nfs/dbraw/zinc/90/61/26/600906126.db2.gz SJFFFXKMYWOPFI-UHFFFAOYSA-N -1 1 388.493 2.229 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])c2)CC1 ZINC000830954999 600908039 /nfs/dbraw/zinc/90/80/39/600908039.db2.gz WCQLRCNUJKTPLY-OAQYLSRUSA-N -1 1 393.487 2.086 20 0 GEADMM CCc1nnc([C@H]2CN(C(=O)c3ccccc3S[C@H](C)C(=O)[O-])CCO2)[nH]1 ZINC000830304286 600920459 /nfs/dbraw/zinc/92/04/59/600920459.db2.gz IDFJPSJCKJSCQN-DGCLKSJQSA-N -1 1 390.465 2.146 20 0 GEADMM O=C([O-])Nc1ccc(CCNC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000833287260 600964427 /nfs/dbraw/zinc/96/44/27/600964427.db2.gz HNOQMGDCHLZMQP-UHFFFAOYSA-N -1 1 397.479 2.043 20 0 GEADMM O=C([O-])C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000833216340 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394.493 2.441 20 0 GEADMM O=C([O-])[C@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000738460478 601072403 /nfs/dbraw/zinc/07/24/03/601072403.db2.gz VXCRLZHFQLNILH-OAHLLOKOSA-N -1 1 397.456 2.060 20 0 GEADMM Clc1cnc(N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)c(Cl)c1 ZINC000826354036 607486998 /nfs/dbraw/zinc/48/69/98/607486998.db2.gz NNTZUXMSTFCZAS-UHFFFAOYSA-N -1 1 391.266 2.286 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000630225827 601086652 /nfs/dbraw/zinc/08/66/52/601086652.db2.gz XLSUURVTVCSEFE-ZDUSSCGKSA-N -1 1 390.871 2.362 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630221494 601090473 /nfs/dbraw/zinc/09/04/73/601090473.db2.gz BTAJWNPLSGPNMM-STQMWFEESA-N -1 1 399.285 2.224 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1Cc1ccccn1 ZINC000832862147 601095911 /nfs/dbraw/zinc/09/59/11/601095911.db2.gz VMUWLMQDGCXSLY-HNNXBMFYSA-N -1 1 384.480 2.169 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000827373987 601099185 /nfs/dbraw/zinc/09/91/85/601099185.db2.gz CMYMPHAMZVDLHA-ZDUSSCGKSA-N -1 1 393.871 2.088 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)CC1 ZINC000827368535 601127535 /nfs/dbraw/zinc/12/75/35/601127535.db2.gz FMHZDPPCGCUDEU-CQSZACIVSA-N -1 1 390.484 2.228 20 0 GEADMM O=C([O-])CSCc1cccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000833263135 601129060 /nfs/dbraw/zinc/12/90/60/601129060.db2.gz IPIYDSAAGPQLML-MRXNPFEDSA-N -1 1 393.509 2.190 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000827369102 601129973 /nfs/dbraw/zinc/12/99/73/601129973.db2.gz OCQAOOONZGXQSR-GFCCVEGCSA-N -1 1 375.454 2.218 20 0 GEADMM CCOC(=O)c1sc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1C ZINC000829895013 601131738 /nfs/dbraw/zinc/13/17/38/601131738.db2.gz BCNYNEOZUSZUOQ-LBPRGKRZSA-N -1 1 383.470 2.246 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 ZINC000827369271 601131763 /nfs/dbraw/zinc/13/17/63/601131763.db2.gz SXURSDORAZVIML-CQSZACIVSA-N -1 1 376.457 2.416 20 0 GEADMM CSc1cc2c(cc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)OCCO2 ZINC000832774488 601132021 /nfs/dbraw/zinc/13/20/21/601132021.db2.gz MKAGPRQICRVDQO-GFCCVEGCSA-N -1 1 395.481 2.192 20 0 GEADMM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000831577052 601134253 /nfs/dbraw/zinc/13/42/53/601134253.db2.gz ANAXFRUJOZWUGG-QGZVFWFLSA-N -1 1 399.419 2.496 20 0 GEADMM Cc1ccnc(-c2cccc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c2)n1 ZINC000832983152 601134370 /nfs/dbraw/zinc/13/43/70/601134370.db2.gz LEDIPVQVEFKYNS-OAHLLOKOSA-N -1 1 383.452 2.465 20 0 GEADMM O=C([O-])[C@@H](c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000833172594 601139694 /nfs/dbraw/zinc/13/96/94/601139694.db2.gz KBDHOSTZPKQFIL-GOSISDBHSA-N -1 1 392.452 2.348 20 0 GEADMM O=C([O-])NCC(=O)O[C@H]1CCC[C@H]1N1CCN(c2cccc(Cl)c2)CC1 ZINC000833279575 601143449 /nfs/dbraw/zinc/14/34/49/601143449.db2.gz JQQHPWHJETYZNO-CVEARBPZSA-N -1 1 381.860 2.194 20 0 GEADMM C[C@@](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)(C(=O)[O-])C1CC1 ZINC000827726715 601173280 /nfs/dbraw/zinc/17/32/80/601173280.db2.gz CJBWVXCDDQTLIT-IERDGZPVSA-N -1 1 388.464 2.354 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000830579665 601174843 /nfs/dbraw/zinc/17/48/43/601174843.db2.gz AONYCJZWJQWYFV-INIZCTEOSA-N -1 1 389.839 2.396 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000832274181 601174957 /nfs/dbraw/zinc/17/49/57/601174957.db2.gz WZPWQZBWEXJMER-YWZLYKJASA-N -1 1 376.453 2.210 20 0 GEADMM CN(Cc1cc(Br)cs1)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000830806314 601175561 /nfs/dbraw/zinc/17/55/61/601175561.db2.gz LDVHRRKCIADULY-AWEZNQCLSA-N -1 1 375.288 2.312 20 0 GEADMM CC[C@](NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1)(C(=O)OC)c1ccccc1 ZINC000828988963 601220445 /nfs/dbraw/zinc/22/04/45/601220445.db2.gz LGKJNYZMYGOLGA-QGZVFWFLSA-N -1 1 381.406 2.043 20 0 GEADMM CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000830596292 601223871 /nfs/dbraw/zinc/22/38/71/601223871.db2.gz HNOYWGCAOJQPRA-GFBZKKKVSA-N -1 1 388.489 2.236 20 0 GEADMM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830596295 601223993 /nfs/dbraw/zinc/22/39/93/601223993.db2.gz HNOYWGCAOJQPRA-LVMGUKCRSA-N -1 1 388.489 2.236 20 0 GEADMM CN1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000830934585 601225205 /nfs/dbraw/zinc/22/52/05/601225205.db2.gz ICHXKQFPCRGYSR-GJZGRUSLSA-N -1 1 394.269 2.137 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCN1Cc1ccccc1 ZINC000379615232 601227123 /nfs/dbraw/zinc/22/71/23/601227123.db2.gz JPNAKLFLUFLHHH-DZGCQCFKSA-N -1 1 378.450 2.309 20 0 GEADMM CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830855691 601254998 /nfs/dbraw/zinc/25/49/98/601254998.db2.gz DZZZJEDEAOLNJZ-OAHLLOKOSA-N -1 1 392.452 2.419 20 0 GEADMM Cc1cccc(C[C@H](CNC(=O)CSc2n[nH]c(=S)s2)C(=O)[O-])c1 ZINC000832970309 601283554 /nfs/dbraw/zinc/28/35/54/601283554.db2.gz TXECCBTVEOHUNG-LLVKDONJSA-N -1 1 383.520 2.287 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000827356784 601291456 /nfs/dbraw/zinc/29/14/56/601291456.db2.gz TXOXYWJAYJAUAQ-QFBILLFUSA-N -1 1 391.487 2.188 20 0 GEADMM CN(Cc1ccnc(-c2nn[n-]n2)c1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000825985846 607503372 /nfs/dbraw/zinc/50/33/72/607503372.db2.gz CLNRVXFKUPLKCH-SFHVURJKSA-N -1 1 378.415 2.356 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000013302284 601320095 /nfs/dbraw/zinc/32/00/95/601320095.db2.gz ZLUACJBPZHTCHO-UHFFFAOYSA-N -1 1 390.417 2.086 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000105960902 601321624 /nfs/dbraw/zinc/32/16/24/601321624.db2.gz URJRYTDDQRGAQI-UHFFFAOYSA-N -1 1 392.389 2.151 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000042796488 601322541 /nfs/dbraw/zinc/32/25/41/601322541.db2.gz BCEISYLYNZBDFQ-UHFFFAOYSA-N -1 1 378.406 2.461 20 0 GEADMM COCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1F ZINC000057124237 601325721 /nfs/dbraw/zinc/32/57/21/601325721.db2.gz LEUUKKFGXBKULA-UHFFFAOYSA-N -1 1 399.396 2.359 20 0 GEADMM COC(=O)CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000520625720 601329750 /nfs/dbraw/zinc/32/97/50/601329750.db2.gz ZLKUJXRXSVRMKF-UHFFFAOYSA-N -1 1 393.417 2.300 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000831440004 601330381 /nfs/dbraw/zinc/33/03/81/601330381.db2.gz JDXOTCPZDHXYSN-UHFFFAOYSA-N -1 1 393.417 2.300 20 0 GEADMM O=C([O-])C1CCC(NC(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000821415636 601360942 /nfs/dbraw/zinc/36/09/42/601360942.db2.gz RRDKLJRNIVDAGE-UHFFFAOYSA-N -1 1 381.517 2.212 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000830519786 601377566 /nfs/dbraw/zinc/37/75/66/601377566.db2.gz VSSMLXWGQITRSP-HZPDHXFCSA-N -1 1 394.468 2.066 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000833344779 601384264 /nfs/dbraw/zinc/38/42/64/601384264.db2.gz JKXSBFVWQNBQHV-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@](F)(C(=O)[O-])C3)c2C1 ZINC000826681933 601481669 /nfs/dbraw/zinc/48/16/69/601481669.db2.gz ULSCHBIYNNHWEQ-XCLFUZPHSA-N -1 1 391.443 2.010 20 0 GEADMM CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000829852875 601484891 /nfs/dbraw/zinc/48/48/91/601484891.db2.gz SXLHEGMFOPJPQL-UHFFFAOYSA-N -1 1 398.824 2.340 20 0 GEADMM CC(C)C1CCC(N2CCN(C(=O)Nc3ccn(CC(=O)[O-])n3)CC2)CC1 ZINC000826728101 601487315 /nfs/dbraw/zinc/48/73/15/601487315.db2.gz ZWVWWVLVEXYSQF-UHFFFAOYSA-N -1 1 377.489 2.332 20 0 GEADMM CCC1CCC(NCC(=O)N(CCC(N)=O)c2ccc(F)cc2)(C(=O)[O-])CC1 ZINC000829101594 601495123 /nfs/dbraw/zinc/49/51/23/601495123.db2.gz SHHMHWKANCQBJJ-UHFFFAOYSA-N -1 1 393.459 2.047 20 0 GEADMM CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000830661313 601515708 /nfs/dbraw/zinc/51/57/08/601515708.db2.gz YOTDOKUVMHGIJM-UHFFFAOYSA-N -1 1 380.510 2.168 20 0 GEADMM C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000828465468 601517314 /nfs/dbraw/zinc/51/73/14/601517314.db2.gz XYNYOHCZXPPRGH-MRXNPFEDSA-N -1 1 380.510 2.168 20 0 GEADMM COC(=O)c1sc2[n-]c(C[NH2+]C3(CC(=O)[O-])CCCCC3)nc(=O)c2c1C ZINC000831479443 601555201 /nfs/dbraw/zinc/55/52/01/601555201.db2.gz OEPMXGVHMHLDKK-UHFFFAOYSA-N -1 1 393.465 2.347 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCCC[C@@H]1C ZINC000828257635 601570889 /nfs/dbraw/zinc/57/08/89/601570889.db2.gz GZMSNLQSSHBPGO-WDEREUQCSA-N -1 1 376.425 2.204 20 0 GEADMM CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000830596372 601572501 /nfs/dbraw/zinc/57/25/01/601572501.db2.gz JZUULXNMDDBIIR-ZDUSSCGKSA-N -1 1 398.431 2.114 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCC(C)CC1 ZINC000184966462 601573645 /nfs/dbraw/zinc/57/36/45/601573645.db2.gz HYVRIMJPTLNORO-NSHDSACASA-N -1 1 376.425 2.062 20 0 GEADMM COC[C@@](C)(CCO)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000831591158 601598853 /nfs/dbraw/zinc/59/88/53/601598853.db2.gz RQVWZDJVPVHWSR-OAHLLOKOSA-N -1 1 379.240 2.007 20 0 GEADMM Cc1cc(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)n[nH]1 ZINC000832883015 601610209 /nfs/dbraw/zinc/61/02/09/601610209.db2.gz FZANBADINBLZNF-SECBINFHSA-N -1 1 391.449 2.327 20 0 GEADMM Cc1ccc(NC(=O)CN(C)C(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832943653 601651018 /nfs/dbraw/zinc/65/10/18/601651018.db2.gz KXSJRGNNXCEEKA-HRAATJIYSA-N -1 1 397.475 2.444 20 0 GEADMM CCOC(=O)[C@H](Cc1ccccc1)N(Cc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000825493926 607519563 /nfs/dbraw/zinc/51/95/63/607519563.db2.gz QRISWQJTFRUJGR-IBGZPJMESA-N -1 1 392.463 2.401 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826189759 607521797 /nfs/dbraw/zinc/52/17/97/607521797.db2.gz DMLMFWXTZNWZNP-KRWDZBQOSA-N -1 1 393.451 2.182 20 0 GEADMM O=C([O-])[C@]1(NC(=O)c2noc3c2CCCC3)CCCN(Cc2ccccc2)C1 ZINC000833129269 601735382 /nfs/dbraw/zinc/73/53/82/601735382.db2.gz YUAMKYUHUUPAEF-NRFANRHFSA-N -1 1 383.448 2.403 20 0 GEADMM CC[C@@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000769561859 601754775 /nfs/dbraw/zinc/75/47/75/601754775.db2.gz GQNDWZOEMKTMLX-CYBMUJFWSA-N -1 1 377.466 2.225 20 0 GEADMM CCn1cnc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)c1 ZINC000830429767 601783253 /nfs/dbraw/zinc/78/32/53/601783253.db2.gz OYOINIKISYXZJS-UHFFFAOYSA-N -1 1 392.206 2.304 20 0 GEADMM O=C([O-])CCCc1csc(NC(=O)CSc2n[nH]c(=S)s2)n1 ZINC000833229529 601783521 /nfs/dbraw/zinc/78/35/21/601783521.db2.gz PDZBODDIJAJHOC-UHFFFAOYSA-N -1 1 376.510 2.421 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828450449 601812700 /nfs/dbraw/zinc/81/27/00/601812700.db2.gz PTCYIHVHHGHNDZ-PGQWDYDZSA-N -1 1 399.369 2.082 20 0 GEADMM CC(C)Cc1ccc([C@]2(C)NC(=O)N(CN3C[C@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000826912629 601818036 /nfs/dbraw/zinc/81/80/36/601818036.db2.gz CYRMWGJEASAPHL-OXTHUFEASA-N -1 1 387.480 2.262 20 0 GEADMM COCCOc1ccccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751145273 601837604 /nfs/dbraw/zinc/83/76/04/601837604.db2.gz JEEDWAPIYLVQPY-UHFFFAOYSA-N -1 1 387.360 2.489 20 0 GEADMM CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000825819551 601838662 /nfs/dbraw/zinc/83/86/62/601838662.db2.gz PWRLTKPBUSUPSH-UHFFFAOYSA-N -1 1 383.813 2.217 20 0 GEADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662218048 601842673 /nfs/dbraw/zinc/84/26/73/601842673.db2.gz KZKYMQKHTAORMQ-INIZCTEOSA-N -1 1 389.496 2.323 20 0 GEADMM Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)N(C)C)cc1 ZINC000832922803 601854070 /nfs/dbraw/zinc/85/40/70/601854070.db2.gz SJQNGEFFYNOLRD-KRWDZBQOSA-N -1 1 387.411 2.190 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 ZINC000268309037 601854875 /nfs/dbraw/zinc/85/48/75/601854875.db2.gz JGSUZZPWNYGXAB-AWEZNQCLSA-N -1 1 393.417 2.119 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CN1Cc1ccccc1 ZINC000828170204 601865488 /nfs/dbraw/zinc/86/54/88/601865488.db2.gz XSPOPVKAMOJYPE-CJNGLKHVSA-N -1 1 399.422 2.242 20 0 GEADMM Cc1cc(C)cc(-n2ccnc2S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826264033 607531066 /nfs/dbraw/zinc/53/10/66/607531066.db2.gz ZXMAXSAZLQUDLM-UHFFFAOYSA-N -1 1 395.448 2.038 20 0 GEADMM Cc1cc(C)cc(-n2ccnc2S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826264033 607531067 /nfs/dbraw/zinc/53/10/67/607531067.db2.gz ZXMAXSAZLQUDLM-UHFFFAOYSA-N -1 1 395.448 2.038 20 0 GEADMM O=C([O-])C[C@@H]1CSCCN1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000833222892 601886959 /nfs/dbraw/zinc/88/69/59/601886959.db2.gz RCXQSQZTKLQZQC-QGZVFWFLSA-N -1 1 392.521 2.086 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)NCC2(CN3CCOCC3)CCCCC2)c1 ZINC000666534144 601887691 /nfs/dbraw/zinc/88/76/91/601887691.db2.gz JJQVEYLIIDLGKR-UHFFFAOYSA-N -1 1 389.496 2.467 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000828029226 601891428 /nfs/dbraw/zinc/89/14/28/601891428.db2.gz WSVMPHSGILPCQR-NHCUHLMSSA-N -1 1 381.432 2.361 20 0 GEADMM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000829069305 601894828 /nfs/dbraw/zinc/89/48/28/601894828.db2.gz FCSNNSFSWWMVPI-QZTJIDSGSA-N -1 1 379.844 2.251 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC000828023766 601923038 /nfs/dbraw/zinc/92/30/38/601923038.db2.gz ASEKAMDDDYFTKW-MRXNPFEDSA-N -1 1 397.357 2.021 20 0 GEADMM COCc1ccccc1CNC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739847623 601927157 /nfs/dbraw/zinc/92/71/57/601927157.db2.gz WDZWMJIAOLGESP-OALUTQOASA-N -1 1 389.496 2.446 20 0 GEADMM COc1ccccc1CCNC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739974616 601929270 /nfs/dbraw/zinc/92/92/70/601929270.db2.gz JOKVHYJIPKAEJA-MSOLQXFVSA-N -1 1 389.496 2.351 20 0 GEADMM O=C(CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])NCCOc1ccccc1 ZINC000740368768 601930235 /nfs/dbraw/zinc/93/02/35/601930235.db2.gz LJGQPFRSTPUGQE-QZTJIDSGSA-N -1 1 375.469 2.179 20 0 GEADMM COC(=O)c1ccc(C)c(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000739782128 601934601 /nfs/dbraw/zinc/93/46/01/601934601.db2.gz HEJACKFXDRLLNG-UHFFFAOYSA-N -1 1 389.452 2.327 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000832892291 601969740 /nfs/dbraw/zinc/96/97/40/601969740.db2.gz RTWCLFCPSOYGKT-MAUKXSAKSA-N -1 1 395.459 2.411 20 0 GEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000484490068 601988424 /nfs/dbraw/zinc/98/84/24/601988424.db2.gz HMSLFWXXOOQZHO-UHFFFAOYSA-N -1 1 378.406 2.082 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000398154084 601990168 /nfs/dbraw/zinc/99/01/68/601990168.db2.gz ZJDISKFQPQCHGJ-KXBFYZLASA-N -1 1 388.489 2.467 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000830049451 602002429 /nfs/dbraw/zinc/00/24/29/602002429.db2.gz BYAAAGQZBJYZEM-FQEVSTJZSA-N -1 1 390.484 2.166 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000740081684 602007554 /nfs/dbraw/zinc/00/75/54/602007554.db2.gz ZCSVTRPYSKLVLN-KRWDZBQOSA-N -1 1 389.500 2.353 20 0 GEADMM O=C([O-])c1c2c(sc1NC(=O)COC(=O)[C@@H]1CCCc3[nH]ncc31)CCC2 ZINC000833112734 602015673 /nfs/dbraw/zinc/01/56/73/602015673.db2.gz KNRMCMKLVLEZIH-SECBINFHSA-N -1 1 389.433 2.260 20 0 GEADMM C[C@@]1(C(=O)[O-])CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000449146850 602017582 /nfs/dbraw/zinc/01/75/82/602017582.db2.gz ONFNXKHBDLTOIQ-CQSZACIVSA-N -1 1 399.188 2.104 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@](C)(C(=O)[O-])C3)c2C1 ZINC000826682131 602046149 /nfs/dbraw/zinc/04/61/49/602046149.db2.gz WNTKSVGKXHZWLQ-QKKBWIMNSA-N -1 1 387.480 2.308 20 0 GEADMM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000833099870 602057896 /nfs/dbraw/zinc/05/78/96/602057896.db2.gz JWCOUAKDXPHLLE-ROUUACIJSA-N -1 1 388.512 2.134 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946052 602061645 /nfs/dbraw/zinc/06/16/45/602061645.db2.gz QSBQTBLURUBGTB-HFTRVMKXSA-N -1 1 392.500 2.376 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739060795 602090137 /nfs/dbraw/zinc/09/01/37/602090137.db2.gz VXJAOEFUBVXWLL-CZUORRHYSA-N -1 1 397.435 2.062 20 0 GEADMM C[C@@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915766 602096573 /nfs/dbraw/zinc/09/65/73/602096573.db2.gz IJESFGRNKDXKRI-IRXDYDNUSA-N -1 1 388.512 2.465 20 0 GEADMM O=C([O-])NC[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740640383 602103410 /nfs/dbraw/zinc/10/34/10/602103410.db2.gz KTXJGUXCNYQLSA-OAHLLOKOSA-N -1 1 378.448 2.089 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167407 602136394 /nfs/dbraw/zinc/13/63/94/602136394.db2.gz GKTHESJBXDEWHZ-KXBFYZLASA-N -1 1 395.459 2.031 20 0 GEADMM Cc1ccc(C(=O)N2CCSCC2)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826281604 607550972 /nfs/dbraw/zinc/55/09/72/607550972.db2.gz BIVMRSLMQDXTOS-UHFFFAOYSA-N -1 1 395.492 2.371 20 0 GEADMM Cc1ccc(C(=O)N2CCSCC2)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826281604 607550974 /nfs/dbraw/zinc/55/09/74/607550974.db2.gz BIVMRSLMQDXTOS-UHFFFAOYSA-N -1 1 395.492 2.371 20 0 GEADMM COc1cc(OC)cc([C@H](NCc2ccc(S(C)(=O)=O)cc2)C(=O)[O-])c1 ZINC000832058293 602167994 /nfs/dbraw/zinc/16/79/94/602167994.db2.gz YJLXSLOVJGYMAE-KRWDZBQOSA-N -1 1 379.434 2.023 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(Br)s1 ZINC000832861938 602191470 /nfs/dbraw/zinc/19/14/70/602191470.db2.gz OFVGHOKNDPAOTN-VIFPVBQESA-N -1 1 375.288 2.440 20 0 GEADMM Cc1c(NCc2ccnc(-c3nnn[n-]3)c2)cccc1C(=O)N1CCSCC1 ZINC000826242472 607549549 /nfs/dbraw/zinc/54/95/49/607549549.db2.gz QFVROBCCHPJFSZ-UHFFFAOYSA-N -1 1 395.492 2.371 20 0 GEADMM Cc1c(NCc2ccnc(-c3nn[n-]n3)c2)cccc1C(=O)N1CCSCC1 ZINC000826242472 607549551 /nfs/dbraw/zinc/54/95/51/607549551.db2.gz QFVROBCCHPJFSZ-UHFFFAOYSA-N -1 1 395.492 2.371 20 0 GEADMM C[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000738996773 602255589 /nfs/dbraw/zinc/25/55/89/602255589.db2.gz ZNNXPXOTQZBDQO-MRXNPFEDSA-N -1 1 397.479 2.041 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])c1OC ZINC000739943736 602266473 /nfs/dbraw/zinc/26/64/73/602266473.db2.gz ALKAMRUVDFUSAE-ZBFHGGJFSA-N -1 1 393.484 2.173 20 0 GEADMM Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740274918 602293550 /nfs/dbraw/zinc/29/35/50/602293550.db2.gz VAQIDDDWYBQIBF-CYBMUJFWSA-N -1 1 392.481 2.307 20 0 GEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1F ZINC000761907919 602322610 /nfs/dbraw/zinc/32/26/10/602322610.db2.gz SUDJSKZXWVDPBH-UHFFFAOYSA-N -1 1 389.307 2.390 20 0 GEADMM CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000313037805 602327299 /nfs/dbraw/zinc/32/72/99/602327299.db2.gz QWKLVBRJNGHAIW-OAHLLOKOSA-N -1 1 392.452 2.419 20 0 GEADMM CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000313037805 602327303 /nfs/dbraw/zinc/32/73/03/602327303.db2.gz QWKLVBRJNGHAIW-OAHLLOKOSA-N -1 1 392.452 2.419 20 0 GEADMM COc1ccc([C@H](CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)N(C)C)cc1OC ZINC000832240291 602377937 /nfs/dbraw/zinc/37/79/37/602377937.db2.gz ANIZOOGHJDOZLJ-HNNXBMFYSA-N -1 1 390.440 2.165 20 0 GEADMM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000738950266 602382238 /nfs/dbraw/zinc/38/22/38/602382238.db2.gz MCTNLCYZIZDVMD-ZDUSSCGKSA-N -1 1 383.439 2.334 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000740517900 602382534 /nfs/dbraw/zinc/38/25/34/602382534.db2.gz PYDLEGWQLBIVQM-GJZGRUSLSA-N -1 1 392.481 2.005 20 0 GEADMM CN(CC1CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1)C(=O)[O-] ZINC000739661216 602382722 /nfs/dbraw/zinc/38/27/22/602382722.db2.gz OCMXKFKJESRPGO-SFHVURJKSA-N -1 1 393.459 2.047 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739318639 602390165 /nfs/dbraw/zinc/39/01/65/602390165.db2.gz XDKXUAZZYYENCF-DAYGRLMNSA-N -1 1 377.485 2.348 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1cccc(F)c1 ZINC000739648322 602413798 /nfs/dbraw/zinc/41/37/98/602413798.db2.gz FTNZLLZNWPNRQN-KRWDZBQOSA-N -1 1 380.464 2.460 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000740172997 602449332 /nfs/dbraw/zinc/44/93/32/602449332.db2.gz LVGWNYJTFDDGMF-HZPDHXFCSA-N -1 1 377.485 2.247 20 0 GEADMM COc1ccc(CNC(=O)[C@@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1OC ZINC000739908428 602450471 /nfs/dbraw/zinc/45/04/71/602450471.db2.gz RVPVEOFJEKEVBI-ZIAGYGMSSA-N -1 1 393.484 2.077 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000739022849 602451274 /nfs/dbraw/zinc/45/12/74/602451274.db2.gz FWMYBWHEZLBSGH-OAHLLOKOSA-N -1 1 384.480 2.262 20 0 GEADMM O=C([O-])N1CC[C@@H](CCNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000740427196 602499489 /nfs/dbraw/zinc/49/94/89/602499489.db2.gz JPDUUSZFFICKHP-SECBINFHSA-N -1 1 381.230 2.445 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739850234 602528639 /nfs/dbraw/zinc/52/86/39/602528639.db2.gz JBAGVJXGLVBCES-GJZGRUSLSA-N -1 1 393.484 2.121 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738630019 602530609 /nfs/dbraw/zinc/53/06/09/602530609.db2.gz IXFBRNUMNZKUIG-HUUCEWRRSA-N -1 1 388.468 2.072 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000739933303 602532521 /nfs/dbraw/zinc/53/25/21/602532521.db2.gz WBXGAFKKMVPANN-ZNMIVQPWSA-N -1 1 393.484 2.201 20 0 GEADMM COc1ccc([C@H](NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)C(C)C)cc1 ZINC000739894721 602533731 /nfs/dbraw/zinc/53/37/31/602533731.db2.gz QDVFPYKVDWIJEO-HNAYVOBHSA-N -1 1 377.485 2.440 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000739905240 602602903 /nfs/dbraw/zinc/60/29/03/602602903.db2.gz HWNZEZXQGQIVHI-QGZVFWFLSA-N -1 1 390.484 2.055 20 0 GEADMM CN(C[C@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1)C(=O)[O-] ZINC000739652138 602610179 /nfs/dbraw/zinc/61/01/79/602610179.db2.gz SQZPHFBRFIPMHE-HZPDHXFCSA-N -1 1 378.473 2.448 20 0 GEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000738924591 602630850 /nfs/dbraw/zinc/63/08/50/602630850.db2.gz FZMMBYAATCWLSH-HNNXBMFYSA-N -1 1 384.521 2.098 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000739009665 602690829 /nfs/dbraw/zinc/69/08/29/602690829.db2.gz WJNBATNISSVZTC-GDBMZVCRSA-N -1 1 378.473 2.494 20 0 GEADMM O=C([O-])N1CCC[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000740512517 602702758 /nfs/dbraw/zinc/70/27/58/602702758.db2.gz PDTFHIIXAQDWHP-AWEZNQCLSA-N -1 1 391.497 2.306 20 0 GEADMM O=S(=O)(NCc1nc2ccccc2s1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492345 607577881 /nfs/dbraw/zinc/57/78/81/607577881.db2.gz GBFIBJJLNNMFBU-UHFFFAOYSA-N -1 1 390.425 2.094 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])C[C@H]2C)N2CCCC2)cc1 ZINC000739891663 602753235 /nfs/dbraw/zinc/75/32/35/602753235.db2.gz DHQLHKOOFJIKAZ-QAPCUYQASA-N -1 1 390.484 2.226 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCN(C(=O)[O-])C[C@H]2C)N2CCCC2)c1 ZINC000739946380 602754312 /nfs/dbraw/zinc/75/43/12/602754312.db2.gz UAOMUEMZFYRSLG-QAPCUYQASA-N -1 1 390.484 2.226 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739851934 602763470 /nfs/dbraw/zinc/76/34/70/602763470.db2.gz OBOBPTYMDMAPOU-IJEWVQPXSA-N -1 1 393.484 2.167 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824158117 607584618 /nfs/dbraw/zinc/58/46/18/607584618.db2.gz RMGYGZOZLAVEPG-UHFFFAOYSA-N -1 1 375.429 2.262 20 0 GEADMM O=S(=O)(NC[C@@H]1CCCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490502 607584702 /nfs/dbraw/zinc/58/47/02/607584702.db2.gz XLPKUDQFHLBVJJ-ZDUSSCGKSA-N -1 1 387.440 2.404 20 0 GEADMM COc1ccc(C=O)c(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826190477 607585925 /nfs/dbraw/zinc/58/59/25/607585925.db2.gz CODYCJZTWGUARB-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM COc1ccc(C=O)c(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826190477 607585926 /nfs/dbraw/zinc/58/59/26/607585926.db2.gz CODYCJZTWGUARB-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM C[C@@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738977290 602833926 /nfs/dbraw/zinc/83/39/26/602833926.db2.gz JSBPITQKXWCRND-UKRRQHHQSA-N -1 1 380.464 2.465 20 0 GEADMM C[C@H]1CN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739181013 602835929 /nfs/dbraw/zinc/83/59/29/602835929.db2.gz HKLMUEKGHUCRCB-GJZGRUSLSA-N -1 1 388.468 2.215 20 0 GEADMM CCC(CC)N(CCOC)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825106532 607590238 /nfs/dbraw/zinc/59/02/38/607590238.db2.gz FSJKXMCUZUFPRM-UHFFFAOYSA-N -1 1 387.893 2.346 20 0 GEADMM CCC(CC)N(CCOC)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825106532 607590239 /nfs/dbraw/zinc/59/02/39/607590239.db2.gz FSJKXMCUZUFPRM-UHFFFAOYSA-N -1 1 387.893 2.346 20 0 GEADMM O=S(=O)(NCCc1c(F)cccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491400 607592592 /nfs/dbraw/zinc/59/25/92/607592592.db2.gz IABACZNZMGHOBR-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM O=S(=O)(NCCc1c(F)cccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491400 607592594 /nfs/dbraw/zinc/59/25/94/607592594.db2.gz IABACZNZMGHOBR-UHFFFAOYSA-N -1 1 399.810 2.319 20 0 GEADMM CC(C)N(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824297687 607593384 /nfs/dbraw/zinc/59/33/84/607593384.db2.gz YSMSGDHRXUALDJ-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM CC(C)N(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824297687 607593386 /nfs/dbraw/zinc/59/33/86/607593386.db2.gz YSMSGDHRXUALDJ-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GEADMM O=S(=O)(NC[C@H]1Cc2ccccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490647 607594612 /nfs/dbraw/zinc/59/46/12/607594612.db2.gz CBKVXNPXSFSXPC-LLVKDONJSA-N -1 1 375.841 2.138 20 0 GEADMM O=S(=O)(NC[C@H]1Cc2ccccc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490647 607594613 /nfs/dbraw/zinc/59/46/13/607594613.db2.gz CBKVXNPXSFSXPC-LLVKDONJSA-N -1 1 375.841 2.138 20 0 GEADMM Cc1cccc(OC[C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826300125 607596112 /nfs/dbraw/zinc/59/61/12/607596112.db2.gz JTJHZQRYFWOYHY-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)N(C)C)c1 ZINC000739945500 602956262 /nfs/dbraw/zinc/95/62/62/602956262.db2.gz LIHPWGLSPQIIQY-JKIFEVAISA-N -1 1 378.473 2.080 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2c1cccc2F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489640 607597063 /nfs/dbraw/zinc/59/70/63/607597063.db2.gz WHVVDWFQGLVHMZ-CQSZACIVSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@H]1CCc2cc(F)ccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489405 607597125 /nfs/dbraw/zinc/59/71/25/607597125.db2.gz OSIDTMGWODMCSA-AWEZNQCLSA-N -1 1 377.376 2.111 20 0 GEADMM Cc1ccc(-c2noc(CN3CCN(C[C@H]4CCN(C(=O)[O-])C4)CC3)n2)cc1 ZINC000740103719 602977836 /nfs/dbraw/zinc/97/78/36/602977836.db2.gz UROZPZABSRSRKH-MRXNPFEDSA-N -1 1 385.468 2.163 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488008 607599425 /nfs/dbraw/zinc/59/94/25/607599425.db2.gz GOEGPFFRYRFMHA-DGCLKSJQSA-N -1 1 393.831 2.494 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488008 607599426 /nfs/dbraw/zinc/59/94/26/607599426.db2.gz GOEGPFFRYRFMHA-DGCLKSJQSA-N -1 1 393.831 2.494 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)N1CCN(C)CC1 ZINC000738783895 603033904 /nfs/dbraw/zinc/03/39/04/603033904.db2.gz WOIZUSUNUJHUEO-INIZCTEOSA-N -1 1 381.452 2.309 20 0 GEADMM O=C([O-])NC[C@H]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000740643148 603037138 /nfs/dbraw/zinc/03/71/38/603037138.db2.gz QCTUXBZYEWLKGF-RISCZKNCSA-N -1 1 387.358 2.280 20 0 GEADMM Nc1c(F)ccc(Br)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826395409 607606511 /nfs/dbraw/zinc/60/65/11/607606511.db2.gz AHBIHIQHIUKLLJ-UHFFFAOYSA-N -1 1 393.176 2.103 20 0 GEADMM Nc1c(F)ccc(Br)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826395409 607606513 /nfs/dbraw/zinc/60/65/13/607606513.db2.gz AHBIHIQHIUKLLJ-UHFFFAOYSA-N -1 1 393.176 2.103 20 0 GEADMM COCCN(CC(=O)Nc1cc(CN2CCSCC2)ccc1C)C(=O)[O-] ZINC000739820953 603097195 /nfs/dbraw/zinc/09/71/95/603097195.db2.gz RUFNWOYMUZQLDC-UHFFFAOYSA-N -1 1 381.498 2.109 20 0 GEADMM Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826294272 607607332 /nfs/dbraw/zinc/60/73/32/607607332.db2.gz NFIRQIBXWKEDAB-AWEZNQCLSA-N -1 1 389.412 2.035 20 0 GEADMM CCCN(C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739342502 603127067 /nfs/dbraw/zinc/12/70/67/603127067.db2.gz JWTBTMJSXGAMNU-AWEZNQCLSA-N -1 1 390.419 2.285 20 0 GEADMM CCCN(C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739342502 603127071 /nfs/dbraw/zinc/12/70/71/603127071.db2.gz JWTBTMJSXGAMNU-AWEZNQCLSA-N -1 1 390.419 2.285 20 0 GEADMM CN(CC1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1)C(=O)[O-] ZINC000739647840 603128132 /nfs/dbraw/zinc/12/81/32/603128132.db2.gz BKTZJZLCUBDICC-UHFFFAOYSA-N -1 1 390.419 2.142 20 0 GEADMM CN(CC1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1)C(=O)[O-] ZINC000739647840 603128135 /nfs/dbraw/zinc/12/81/35/603128135.db2.gz BKTZJZLCUBDICC-UHFFFAOYSA-N -1 1 390.419 2.142 20 0 GEADMM CCc1nc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000825746213 607611743 /nfs/dbraw/zinc/61/17/43/607611743.db2.gz SYIRDMFWNODNOW-UHFFFAOYSA-N -1 1 384.874 2.018 20 0 GEADMM CCc1nc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000825746213 607611745 /nfs/dbraw/zinc/61/17/45/607611745.db2.gz SYIRDMFWNODNOW-UHFFFAOYSA-N -1 1 384.874 2.018 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740079932 603185422 /nfs/dbraw/zinc/18/54/22/603185422.db2.gz MLVHSDHLEFXGRY-MAUKXSAKSA-N -1 1 389.500 2.257 20 0 GEADMM CC(C)n1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000824641584 607614774 /nfs/dbraw/zinc/61/47/74/607614774.db2.gz XCDOTVWCOIDXPL-SNVBAGLBSA-N -1 1 395.876 2.337 20 0 GEADMM CCN(Cc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-] ZINC000827187235 603240604 /nfs/dbraw/zinc/24/06/04/603240604.db2.gz UWPGYKKIDKHMDQ-UHFFFAOYSA-N -1 1 381.410 2.102 20 0 GEADMM CS[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826227232 607618651 /nfs/dbraw/zinc/61/86/51/607618651.db2.gz NZAGBNGAYPUIDV-VHSXEESVSA-N -1 1 387.918 2.473 20 0 GEADMM CS[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826227232 607618653 /nfs/dbraw/zinc/61/86/53/607618653.db2.gz NZAGBNGAYPUIDV-VHSXEESVSA-N -1 1 387.918 2.473 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)N(C)CCCNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739180237 603281669 /nfs/dbraw/zinc/28/16/69/603281669.db2.gz DTGMWYKAJYNDGB-HOTGVXAUSA-N -1 1 392.500 2.095 20 0 GEADMM O=S(=O)(NC[C@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490441 607619221 /nfs/dbraw/zinc/61/92/21/607619221.db2.gz VLGOFQDYPREEQK-LBPRGKRZSA-N -1 1 387.440 2.089 20 0 GEADMM O=S(=O)(NC[C@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490441 607619223 /nfs/dbraw/zinc/61/92/23/607619223.db2.gz VLGOFQDYPREEQK-LBPRGKRZSA-N -1 1 387.440 2.089 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccn1 ZINC000824198257 607619481 /nfs/dbraw/zinc/61/94/81/607619481.db2.gz AJCGZWIXVOFHPP-OAHLLOKOSA-N -1 1 376.417 2.076 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])CCN1CCOC ZINC000739277785 603340585 /nfs/dbraw/zinc/34/05/85/603340585.db2.gz HJMAKZRNYJPRKK-INIZCTEOSA-N -1 1 378.473 2.371 20 0 GEADMM C[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823662965 603340691 /nfs/dbraw/zinc/34/06/91/603340691.db2.gz QGALIXRIZYOPTO-QFBILLFUSA-N -1 1 389.496 2.202 20 0 GEADMM Cc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1NC(=O)[O-] ZINC000830219509 603343432 /nfs/dbraw/zinc/34/34/32/603343432.db2.gz FWPSBOQMPUQLJP-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C[C@H](C)O1 ZINC000739182422 603362867 /nfs/dbraw/zinc/36/28/67/603362867.db2.gz NSQMHNQJRDMYJT-GJZGRUSLSA-N -1 1 378.473 2.417 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CCN1CCOC ZINC000739282321 603364751 /nfs/dbraw/zinc/36/47/51/603364751.db2.gz ZRTDSSKYXAZRCA-QGZVFWFLSA-N -1 1 378.473 2.371 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000825427104 603374065 /nfs/dbraw/zinc/37/40/65/603374065.db2.gz OXLCXBSPLKDBGT-IAOVAPTHSA-N -1 1 376.457 2.078 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000739604568 603381705 /nfs/dbraw/zinc/38/17/05/603381705.db2.gz YVCFZPDWFQLXAS-INIZCTEOSA-N -1 1 388.399 2.273 20 0 GEADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739608492 603384141 /nfs/dbraw/zinc/38/41/41/603384141.db2.gz SAQJPGYOPOXAJW-MRXNPFEDSA-N -1 1 388.399 2.273 20 0 GEADMM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000740363297 603405899 /nfs/dbraw/zinc/40/58/99/603405899.db2.gz CFTOJJJLEPVAMN-KRWDZBQOSA-N -1 1 393.509 2.333 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)N2CCCC2)c1 ZINC000829544040 603426836 /nfs/dbraw/zinc/42/68/36/603426836.db2.gz RJUMBMXDDPXGPC-NUJGCVRESA-N -1 1 375.469 2.385 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000826495834 607630412 /nfs/dbraw/zinc/63/04/12/607630412.db2.gz DBQMHKMDJTZGIO-AWEZNQCLSA-N -1 1 389.412 2.237 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000826495834 607630414 /nfs/dbraw/zinc/63/04/14/607630414.db2.gz DBQMHKMDJTZGIO-AWEZNQCLSA-N -1 1 389.412 2.237 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000826057685 603469435 /nfs/dbraw/zinc/46/94/35/603469435.db2.gz JTSLBJDUWZLJLL-RGCFKVTRSA-N -1 1 389.496 2.348 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n[nH]2)cc1OC ZINC000829234901 603532327 /nfs/dbraw/zinc/53/23/27/603532327.db2.gz VBARJVYSPOZLEG-CYBMUJFWSA-N -1 1 388.424 2.308 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3CCC[C@H]3CN(C)C(=O)[O-])n[nH]2)cc1OC ZINC000829234982 603551434 /nfs/dbraw/zinc/55/14/34/603551434.db2.gz XFBWYDQYJZKAFC-ZDUSSCGKSA-N -1 1 388.424 2.308 20 0 GEADMM CC[C@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CCN1CCOC ZINC000736938451 603570436 /nfs/dbraw/zinc/57/04/36/603570436.db2.gz LMLJWUFJCPJMDX-KRWDZBQOSA-N -1 1 378.473 2.071 20 0 GEADMM CC[C@@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CCN1CCOC ZINC000736938453 603571260 /nfs/dbraw/zinc/57/12/60/603571260.db2.gz LMLJWUFJCPJMDX-QGZVFWFLSA-N -1 1 378.473 2.071 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)NC(=O)[O-] ZINC000824086618 603660281 /nfs/dbraw/zinc/66/02/81/603660281.db2.gz VKECEPZWYVROTF-AWEZNQCLSA-N -1 1 392.435 2.435 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)NC(=O)[O-] ZINC000824086618 603660284 /nfs/dbraw/zinc/66/02/84/603660284.db2.gz VKECEPZWYVROTF-AWEZNQCLSA-N -1 1 392.435 2.435 20 0 GEADMM O=C([O-])N[C@@H](CNC(=O)NCCN1CCc2ccccc2C1)c1ccccc1 ZINC000832135799 603681953 /nfs/dbraw/zinc/68/19/53/603681953.db2.gz OWCFOQVKVKOGEJ-IBGZPJMESA-N -1 1 382.464 2.353 20 0 GEADMM C[C@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)[C@H]1CNC(=O)[O-] ZINC000825919621 603708584 /nfs/dbraw/zinc/70/85/84/603708584.db2.gz PNRYJFIVKDWUDF-LIRRHRJNSA-N -1 1 384.480 2.421 20 0 GEADMM Cc1cccc(O[C@H](C)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826299941 607649062 /nfs/dbraw/zinc/64/90/62/607649062.db2.gz BTQBOMVFSUBDKV-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1csc(C2(NS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCC2)n1 ZINC000826320445 607656807 /nfs/dbraw/zinc/65/68/07/607656807.db2.gz RDNOAGFLEOTVOF-UHFFFAOYSA-N -1 1 394.457 2.128 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@H](c2cccc3c2N(C(=O)[O-])CC3)NC(=S)N1 ZINC000825771868 603881559 /nfs/dbraw/zinc/88/15/59/603881559.db2.gz ABUWOAQYCJLMJN-AWEZNQCLSA-N -1 1 375.450 2.472 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1)N1CCCC1 ZINC000829597046 603887876 /nfs/dbraw/zinc/88/78/76/603887876.db2.gz DSWSZGREQXYZBR-NVXWUHKLSA-N -1 1 390.484 2.226 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)CC2 ZINC000831628429 603888575 /nfs/dbraw/zinc/88/85/75/603888575.db2.gz ROQUOIKACDVIKW-PMPSAXMXSA-N -1 1 376.457 2.343 20 0 GEADMM O=C([O-])N1CCCN(CC2=Nc3ccccc3S(=O)(=O)N2)c2ccccc21 ZINC000832014978 603912279 /nfs/dbraw/zinc/91/22/79/603912279.db2.gz FBCALPIGTPLSGP-UHFFFAOYSA-N -1 1 386.433 2.403 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825459055 603956562 /nfs/dbraw/zinc/95/65/62/603956562.db2.gz LZPCCWGVMVBBSQ-NSHDSACASA-N -1 1 393.403 2.360 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)Nc2cccc3c2CCN3C(=O)[O-])C[C@H](C)O1 ZINC000826057980 603973692 /nfs/dbraw/zinc/97/36/92/603973692.db2.gz LRKNLDACUNYTSH-OKILXGFUSA-N -1 1 376.457 2.348 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000827417660 604014313 /nfs/dbraw/zinc/01/43/13/604014313.db2.gz CZDHGOASSPLELQ-QGZVFWFLSA-N -1 1 392.500 2.458 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827418344 604015155 /nfs/dbraw/zinc/01/51/55/604015155.db2.gz NGPAQBZHVOVZNH-OAHLLOKOSA-N -1 1 390.484 2.166 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824641231 607666637 /nfs/dbraw/zinc/66/66/37/607666637.db2.gz UDGKRBWHAXBEFU-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824641231 607666639 /nfs/dbraw/zinc/66/66/39/607666639.db2.gz UDGKRBWHAXBEFU-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM Cc1ccccc1-c1cnc(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)o1 ZINC000830544848 604037388 /nfs/dbraw/zinc/03/73/88/604037388.db2.gz FPRFKVFOZUXEQU-HNNXBMFYSA-N -1 1 386.452 2.246 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)CC3(NC(=O)[O-])CCC3)CC2)cc1 ZINC000829363024 604081206 /nfs/dbraw/zinc/08/12/06/604081206.db2.gz QZFZDQREXJNOIM-UHFFFAOYSA-N -1 1 375.469 2.310 20 0 GEADMM C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823677256 604100896 /nfs/dbraw/zinc/10/08/96/604100896.db2.gz JVFSXXKVOVOBAT-HOTGVXAUSA-N -1 1 389.496 2.491 20 0 GEADMM O=C([O-])NCCCOC1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000832632096 604105673 /nfs/dbraw/zinc/10/56/73/604105673.db2.gz BOSSYRFGIRPVRC-SJLPKXTDSA-N -1 1 381.517 2.306 20 0 GEADMM COc1ccc2c(CN3CCC(OCCCNC(=O)[O-])CC3)cc(=O)oc2c1 ZINC000829515978 604107175 /nfs/dbraw/zinc/10/71/75/604107175.db2.gz OFZMCXYHUCMEQK-UHFFFAOYSA-N -1 1 390.436 2.440 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000825218260 604120362 /nfs/dbraw/zinc/12/03/62/604120362.db2.gz JJTBXQNGRWAOSA-NVXWUHKLSA-N -1 1 389.500 2.124 20 0 GEADMM O=S(=O)(N[C@@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488851 607673084 /nfs/dbraw/zinc/67/30/84/607673084.db2.gz ANVOPVJMMIUPDM-GFCCVEGCSA-N -1 1 395.803 2.071 20 0 GEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825171197 607674543 /nfs/dbraw/zinc/67/45/43/607674543.db2.gz MTFGTLBNKPVKEJ-GJZGRUSLSA-N -1 1 397.476 2.220 20 0 GEADMM O=S(=O)(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489251 607676167 /nfs/dbraw/zinc/67/61/67/607676167.db2.gz LCEVABQNDDKPLM-GFCCVEGCSA-N -1 1 395.460 2.166 20 0 GEADMM O=S(=O)(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489251 607676169 /nfs/dbraw/zinc/67/61/69/607676169.db2.gz LCEVABQNDDKPLM-GFCCVEGCSA-N -1 1 395.460 2.166 20 0 GEADMM O=C([O-])N1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000831963217 604190657 /nfs/dbraw/zinc/19/06/57/604190657.db2.gz BNJGZQKNADFULT-UHFFFAOYSA-N -1 1 380.246 2.262 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000829490586 604190976 /nfs/dbraw/zinc/19/09/76/604190976.db2.gz ZSZSTPDDQPLYAD-ILXRZTDVSA-N -1 1 393.484 2.249 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000825229577 604232828 /nfs/dbraw/zinc/23/28/28/604232828.db2.gz ROSNDJOUQUAWRG-WCQYABFASA-N -1 1 390.419 2.189 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000825229577 604232830 /nfs/dbraw/zinc/23/28/30/604232830.db2.gz ROSNDJOUQUAWRG-WCQYABFASA-N -1 1 390.419 2.189 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000830385397 604249294 /nfs/dbraw/zinc/24/92/94/604249294.db2.gz DANPDHFKDMREPI-LSDHHAIUSA-N -1 1 376.457 2.320 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000825264697 604258556 /nfs/dbraw/zinc/25/85/56/604258556.db2.gz MZGOQGPASCXENA-GXTWGEPZSA-N -1 1 385.411 2.272 20 0 GEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000830526899 604258824 /nfs/dbraw/zinc/25/88/24/604258824.db2.gz DKUDGLPNEATGBN-IKGGRYGDSA-N -1 1 377.485 2.247 20 0 GEADMM CN(C)C1(C(=O)Nc2ccc(C(=O)OC3CCN(C(=O)[O-])CC3)cc2)CCC1 ZINC000827999077 604279146 /nfs/dbraw/zinc/27/91/46/604279146.db2.gz ANQWYRWKYKSSHH-UHFFFAOYSA-N -1 1 389.452 2.409 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000830304349 604322192 /nfs/dbraw/zinc/32/21/92/604322192.db2.gz JLYGWDPYBONTAT-LBPRGKRZSA-N -1 1 379.804 2.324 20 0 GEADMM CCc1cc(C(=O)N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n[nH]1 ZINC000830213977 604341799 /nfs/dbraw/zinc/34/17/99/604341799.db2.gz SWEHCEIGVYVPDR-INIZCTEOSA-N -1 1 376.844 2.209 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc([C@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000827621727 604346500 /nfs/dbraw/zinc/34/65/00/604346500.db2.gz VISYGFMHEVUGEW-FZMZJTMJSA-N -1 1 388.428 2.301 20 0 GEADMM O=S(=O)([N-]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(F)c1F ZINC000826487730 607691669 /nfs/dbraw/zinc/69/16/69/607691669.db2.gz XVXCXAWVOQTJTD-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM CS(=O)(=O)Nc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000820894375 604491518 /nfs/dbraw/zinc/49/15/18/604491518.db2.gz MVKJKGYSHOYRDJ-UHFFFAOYSA-N -1 1 389.477 2.079 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3CC(=O)[O-])CC2)c1 ZINC000832971888 604493056 /nfs/dbraw/zinc/49/30/56/604493056.db2.gz YOWXRGBCQBHUGC-LJQANCHMSA-N -1 1 388.512 2.156 20 0 GEADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833392922 604503069 /nfs/dbraw/zinc/50/30/69/604503069.db2.gz YPYZNUAEDLJWKV-MRXNPFEDSA-N -1 1 378.388 2.173 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC000832920695 604531127 /nfs/dbraw/zinc/53/11/27/604531127.db2.gz DDWNHODFEFPKKZ-CQSZACIVSA-N -1 1 375.450 2.112 20 0 GEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000828494369 604539850 /nfs/dbraw/zinc/53/98/50/604539850.db2.gz OLFVBKAEGCJLQP-GUYCJALGSA-N -1 1 383.452 2.406 20 0 GEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(-c3nnc[nH]3)c2)c(OC)c1 ZINC000833731745 604572048 /nfs/dbraw/zinc/57/20/48/604572048.db2.gz BQRUIIALSHKBCR-INIZCTEOSA-N -1 1 396.403 2.435 20 0 GEADMM C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833615579 604623109 /nfs/dbraw/zinc/62/31/09/604623109.db2.gz OJBZPSZDYJLACW-AWEZNQCLSA-N -1 1 393.509 2.183 20 0 GEADMM C[C@@H](Oc1ccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833544459 604636972 /nfs/dbraw/zinc/63/69/72/604636972.db2.gz YJMRKDANVYLGJB-DYESRHJHSA-N -1 1 384.476 2.390 20 0 GEADMM CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833430462 604685247 /nfs/dbraw/zinc/68/52/47/604685247.db2.gz DDXWAHMHPHOBBH-UHFFFAOYSA-N -1 1 377.422 2.109 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CCN1Cc1ccccc1 ZINC000833596604 604698486 /nfs/dbraw/zinc/69/84/86/604698486.db2.gz FQGFFWPWGKBDMS-HOCLYGCPSA-N -1 1 389.477 2.111 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCO1 ZINC000825324690 604703004 /nfs/dbraw/zinc/70/30/04/604703004.db2.gz DCCCTCRKMGVJPG-BONVTDFDSA-N -1 1 378.816 2.227 20 0 GEADMM C[C@H](C[N@@H+](CC(=O)Nc1cccc(CN2CCSCC2)c1)C1CC1)C(=O)[O-] ZINC000827449930 604745433 /nfs/dbraw/zinc/74/54/33/604745433.db2.gz RCBWYEJOILZBRO-OAHLLOKOSA-N -1 1 391.537 2.359 20 0 GEADMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000484506952 604769211 /nfs/dbraw/zinc/76/92/11/604769211.db2.gz YMXJZJFPHPFKOX-UHFFFAOYSA-N -1 1 380.422 2.236 20 0 GEADMM COc1ccc2oc([C@@H](C)NCC(=O)N3CCN(C(=O)[O-])CC3)c(C)c2c1 ZINC000829527406 604773610 /nfs/dbraw/zinc/77/36/10/604773610.db2.gz YLKFJTDPEZJPDF-CYBMUJFWSA-N -1 1 375.425 2.223 20 0 GEADMM CC[C@@H]1CN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1N1CCOCC1 ZINC000829141476 604780483 /nfs/dbraw/zinc/78/04/83/604780483.db2.gz MAZMBBDENFSZSE-MDZRGWNJSA-N -1 1 389.496 2.063 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1noc(C2CCCCC2)n1 ZINC000826294754 607715508 /nfs/dbraw/zinc/71/55/08/607715508.db2.gz BGBMYOWVQIDCQF-UHFFFAOYSA-N -1 1 392.423 2.364 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H]3CCCN(C(=O)[O-])C3)n2)cc1 ZINC000830160477 604804977 /nfs/dbraw/zinc/80/49/77/604804977.db2.gz QYCXDYMZPUCNNT-CYBMUJFWSA-N -1 1 389.481 2.378 20 0 GEADMM CCOc1ccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000825643813 607715710 /nfs/dbraw/zinc/71/57/10/607715710.db2.gz WGCVSLSQWRXBNX-UHFFFAOYSA-N -1 1 392.419 2.363 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nc(-c2cccs2)no1 ZINC000826294821 607717885 /nfs/dbraw/zinc/71/78/85/607717885.db2.gz FDENPCSFUDYLNZ-UHFFFAOYSA-N -1 1 392.404 2.045 20 0 GEADMM COc1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)cc(OC)c1 ZINC000833730175 604859699 /nfs/dbraw/zinc/85/96/99/604859699.db2.gz ZOATXYRYHZJTDZ-UHFFFAOYSA-N -1 1 397.405 2.220 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)C1 ZINC000833577188 604865337 /nfs/dbraw/zinc/86/53/37/604865337.db2.gz ICNIGYICQUWCRS-RBZFPXEDSA-N -1 1 391.443 2.373 20 0 GEADMM Cc1ccc(C)c(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1 ZINC000826284777 607719442 /nfs/dbraw/zinc/71/94/42/607719442.db2.gz FEVRYGOSSUNVIP-UHFFFAOYSA-N -1 1 389.419 2.141 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H](NC(=O)[O-])C(C)C)n2)cc1 ZINC000830159636 604920732 /nfs/dbraw/zinc/92/07/32/604920732.db2.gz GRUFAZFCUUJTBT-CYBMUJFWSA-N -1 1 377.470 2.281 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000827368326 604930504 /nfs/dbraw/zinc/93/05/04/604930504.db2.gz BAUNLFRLXLFRDZ-LLVKDONJSA-N -1 1 387.249 2.138 20 0 GEADMM O=C([O-])c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000833153450 604945371 /nfs/dbraw/zinc/94/53/71/604945371.db2.gz CSKYHMBBKPYCGR-IEBWSBKVSA-N -1 1 383.448 2.389 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)C(=O)[O-] ZINC000833637117 604972812 /nfs/dbraw/zinc/97/28/12/604972812.db2.gz CGFNMXMYFSYKMQ-UHEFJODHSA-N -1 1 380.460 2.329 20 0 GEADMM C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000828124064 604980304 /nfs/dbraw/zinc/98/03/04/604980304.db2.gz ZJTXWQGSBHOTAW-PIGZYNQJSA-N -1 1 383.807 2.143 20 0 GEADMM CN(C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1)C(c1ccccc1)c1ccccc1 ZINC000833684820 604985341 /nfs/dbraw/zinc/98/53/41/604985341.db2.gz UORASQZKNYXBDN-JOCHJYFZSA-N -1 1 396.487 2.392 20 0 GEADMM Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2c[n-]c(C(=O)[O-])c2)c(C)c1 ZINC000833749726 605004451 /nfs/dbraw/zinc/00/44/51/605004451.db2.gz XLRWNSOORMAPSP-KRWDZBQOSA-N -1 1 388.449 2.246 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000832917822 605013612 /nfs/dbraw/zinc/01/36/12/605013612.db2.gz AHWFQYZWNVGEIF-UHFFFAOYSA-N -1 1 375.406 2.016 20 0 GEADMM COCC1(C)CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)CC1 ZINC000833722673 605020280 /nfs/dbraw/zinc/02/02/80/605020280.db2.gz BCAIWUQYCAQWCY-ZDUSSCGKSA-N -1 1 392.452 2.247 20 0 GEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000833480212 605040353 /nfs/dbraw/zinc/04/03/53/605040353.db2.gz PSFDOBQSJGPUBA-PBHICJAKSA-N -1 1 394.491 2.437 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000833624225 605044187 /nfs/dbraw/zinc/04/41/87/605044187.db2.gz JSPFRHUCBDBCPH-ZDUSSCGKSA-N -1 1 385.411 2.021 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCOc1cccc2ccccc21 ZINC000833626400 605046339 /nfs/dbraw/zinc/04/63/39/605046339.db2.gz QOZZWQOELQYEAU-INIZCTEOSA-N -1 1 385.464 2.409 20 0 GEADMM COc1ccc(CC[C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833731470 605049106 /nfs/dbraw/zinc/04/91/06/605049106.db2.gz DBRQEZMQBFSBLW-HZPDHXFCSA-N -1 1 377.485 2.207 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000833621297 605054206 /nfs/dbraw/zinc/05/42/06/605054206.db2.gz ADTRNDQSIPQRRP-PBHICJAKSA-N -1 1 377.510 2.207 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000833767737 605081554 /nfs/dbraw/zinc/08/15/54/605081554.db2.gz OTLRSMUYTYEUFM-IHRRRGAJSA-N -1 1 378.226 2.088 20 0 GEADMM CC1(C)OCC(C)(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000833562089 605090013 /nfs/dbraw/zinc/09/00/13/605090013.db2.gz GZRQPTJDFIOOKE-OAQYLSRUSA-N -1 1 390.480 2.011 20 0 GEADMM Cc1ccc(-c2nc(CC(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)cs2)o1 ZINC000833746351 605104180 /nfs/dbraw/zinc/10/41/80/605104180.db2.gz ADNWSXQQZOBWJI-LBPRGKRZSA-N -1 1 377.466 2.261 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(OCc2cccnc2)c1 ZINC000833622352 605108969 /nfs/dbraw/zinc/10/89/69/605108969.db2.gz AXCCYDMNCZIHGH-MRXNPFEDSA-N -1 1 383.448 2.282 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(OCc2cccnc2)c1 ZINC000833622348 605109012 /nfs/dbraw/zinc/10/90/12/605109012.db2.gz AXCCYDMNCZIHGH-INIZCTEOSA-N -1 1 383.448 2.282 20 0 GEADMM Cc1ccccc1-n1nc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c2c1CCC2 ZINC000833752987 605111104 /nfs/dbraw/zinc/11/11/04/605111104.db2.gz IQCRPZCCJOWIRU-INIZCTEOSA-N -1 1 396.491 2.290 20 0 GEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833543475 605111218 /nfs/dbraw/zinc/11/12/18/605111218.db2.gz UAORGTURSBJSLB-CHWSQXEVSA-N -1 1 388.386 2.480 20 0 GEADMM C[C@H](Oc1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1)C(=O)[O-] ZINC000833543553 605118087 /nfs/dbraw/zinc/11/80/87/605118087.db2.gz ZFKOZLZTTGSIFT-ZDUSSCGKSA-N -1 1 375.446 2.158 20 0 GEADMM CCc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1S(C)(=O)=O ZINC000833668757 605140229 /nfs/dbraw/zinc/14/02/29/605140229.db2.gz CADIIZBMXHBLSP-UHFFFAOYSA-N -1 1 387.417 2.479 20 0 GEADMM CN(C(=O)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1C(=O)[O-] ZINC000833684805 605145847 /nfs/dbraw/zinc/14/58/47/605145847.db2.gz SQUQANUFZNJMPP-CQSZACIVSA-N -1 1 383.452 2.223 20 0 GEADMM C[C@@H](c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1)[NH+]1CCOCC1 ZINC000833548347 605183786 /nfs/dbraw/zinc/18/37/86/605183786.db2.gz NSPVVHKIRXWCDT-LBPRGKRZSA-N -1 1 380.422 2.172 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1SC(F)F ZINC000833629574 605188996 /nfs/dbraw/zinc/18/89/96/605188996.db2.gz XKGLHHQFXLCKAW-GFCCVEGCSA-N -1 1 387.452 2.421 20 0 GEADMM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])CCN1C ZINC000833598441 605192507 /nfs/dbraw/zinc/19/25/07/605192507.db2.gz WEIJRBGBFQGCNO-CHWSQXEVSA-N -1 1 377.466 2.036 20 0 GEADMM C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833548999 605203952 /nfs/dbraw/zinc/20/39/52/605203952.db2.gz OKQXFQDUKPMMMZ-CYBMUJFWSA-N -1 1 378.450 2.482 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000833618339 605207872 /nfs/dbraw/zinc/20/78/72/605207872.db2.gz ASXZFZOEQAHLOR-ZUZCIYMTSA-N -1 1 375.252 2.034 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000833599581 605209000 /nfs/dbraw/zinc/20/90/00/605209000.db2.gz YTFFYDKGQOBDOK-DYVFJYSZSA-N -1 1 392.452 2.465 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1-c1cccc(Cl)c1 ZINC000630218944 605231573 /nfs/dbraw/zinc/23/15/73/605231573.db2.gz GIUHDILAXJVTQX-ZDUSSCGKSA-N -1 1 390.871 2.455 20 0 GEADMM C[C@H]1CN(C(=O)c2ccccc2NCc2cccnc2)CCN1CCC(=O)[O-] ZINC000833619285 605254251 /nfs/dbraw/zinc/25/42/51/605254251.db2.gz AKCAGTVUMLCWMS-INIZCTEOSA-N -1 1 382.464 2.315 20 0 GEADMM C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833540300 605274806 /nfs/dbraw/zinc/27/48/06/605274806.db2.gz SMVVYPLJUPGEMW-OLZOCXBDSA-N -1 1 399.285 2.224 20 0 GEADMM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)Nc1cccc(CN2CCSCC2)c1 ZINC000831524410 605284130 /nfs/dbraw/zinc/28/41/30/605284130.db2.gz RSDWUZZYOVLBED-QGZVFWFLSA-N -1 1 393.509 2.333 20 0 GEADMM O=S(=O)(NCCOc1ccccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491368 607746987 /nfs/dbraw/zinc/74/69/87/607746987.db2.gz GMOYPAQRFLOLQL-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM O=S(=O)(NCCOc1ccccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491368 607746988 /nfs/dbraw/zinc/74/69/88/607746988.db2.gz GMOYPAQRFLOLQL-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1-c1ccc(Cl)cc1 ZINC000833742847 605404011 /nfs/dbraw/zinc/40/40/11/605404011.db2.gz YAZPBIJULXECKX-ZDUSSCGKSA-N -1 1 390.871 2.455 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)CCNC(=O)[O-] ZINC000833861803 605427953 /nfs/dbraw/zinc/42/79/53/605427953.db2.gz NWWPURWUSXRUHT-CQSZACIVSA-N -1 1 393.488 2.005 20 0 GEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)c2c1 ZINC000833744458 605467542 /nfs/dbraw/zinc/46/75/42/605467542.db2.gz AWKITVBNNQVCRR-GFCCVEGCSA-N -1 1 375.400 2.009 20 0 GEADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000825829546 605471978 /nfs/dbraw/zinc/47/19/78/605471978.db2.gz BYPAREYSIZAQNX-LSDHHAIUSA-N -1 1 375.473 2.091 20 0 GEADMM CCOc1cc(CN2CCC[C@H](NC(=O)[O-])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000833861517 605490287 /nfs/dbraw/zinc/49/02/87/605490287.db2.gz KQIPYKRJLYSOFL-HOCLYGCPSA-N -1 1 393.484 2.173 20 0 GEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000834029635 605520141 /nfs/dbraw/zinc/52/01/41/605520141.db2.gz VDHIFVFZZNEEFB-HOCLYGCPSA-N -1 1 386.452 2.298 20 0 GEADMM O=C([O-])N1CC[C@]2(C1)C[C@@H](NCCNC(=O)c1ccco1)c1ccccc1O2 ZINC000834042627 605629319 /nfs/dbraw/zinc/62/93/19/605629319.db2.gz ZVCNAXALSDJTKK-FOIQADDNSA-N -1 1 385.420 2.245 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C[C@@H]2CSCCN2C(=O)[O-])N2CCCC2)o1 ZINC000830257257 605637522 /nfs/dbraw/zinc/63/75/22/605637522.db2.gz SDHBEOODFLBCGA-HUUCEWRRSA-N -1 1 381.498 2.327 20 0 GEADMM N=C(NOCc1csc(CCc2ccccc2)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833980308 605731418 /nfs/dbraw/zinc/73/14/18/605731418.db2.gz NQDUKUYGBLFQME-OAHLLOKOSA-N -1 1 390.465 2.306 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000827417659 605758707 /nfs/dbraw/zinc/75/87/07/605758707.db2.gz CZDHGOASSPLELQ-KRWDZBQOSA-N -1 1 392.500 2.458 20 0 GEADMM O=C([O-])N(CCNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000834063346 605821919 /nfs/dbraw/zinc/82/19/19/605821919.db2.gz WBJKNHQNPXJSDX-HNNXBMFYSA-N -1 1 384.440 2.461 20 0 GEADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834212905 605822825 /nfs/dbraw/zinc/82/28/25/605822825.db2.gz WKUZNCCVBPFGCS-BFHYXJOUSA-N -1 1 376.461 2.007 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cnn4c3CCCC4)cc2)n1 ZINC000834246762 605840219 /nfs/dbraw/zinc/84/02/19/605840219.db2.gz JHYWCXKDHVHSGE-UHFFFAOYSA-N -1 1 381.396 2.024 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cnn4c3CCCC4)cc2)n[nH]1 ZINC000834246762 605840220 /nfs/dbraw/zinc/84/02/20/605840220.db2.gz JHYWCXKDHVHSGE-UHFFFAOYSA-N -1 1 381.396 2.024 20 0 GEADMM O=C([O-])N[C@H](C(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccccc1 ZINC000834251638 605852927 /nfs/dbraw/zinc/85/29/27/605852927.db2.gz IVDHWMFQJQHWQX-IBGZPJMESA-N -1 1 389.496 2.346 20 0 GEADMM C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200097 605901345 /nfs/dbraw/zinc/90/13/45/605901345.db2.gz WRUOXWWUAPKMMF-ZBFHGGJFSA-N -1 1 381.432 2.275 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820200097 605901350 /nfs/dbraw/zinc/90/13/50/605901350.db2.gz WRUOXWWUAPKMMF-ZBFHGGJFSA-N -1 1 381.432 2.275 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833548477 605902083 /nfs/dbraw/zinc/90/20/83/605902083.db2.gz KWHMZGAJBMDXLZ-BBRMVZONSA-N -1 1 399.422 2.414 20 0 GEADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCCCOc1ccccc1F ZINC000832235057 605937829 /nfs/dbraw/zinc/93/78/29/605937829.db2.gz UVQLUNHWWLATRE-MQVJKMGUSA-N -1 1 393.459 2.364 20 0 GEADMM O=C([O-])N[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000740588560 605953647 /nfs/dbraw/zinc/95/36/47/605953647.db2.gz VUCWERLOLOEIGI-NSHDSACASA-N -1 1 379.214 2.321 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccco3)N3CCCC3)C[C@H]21 ZINC000834176929 606073602 /nfs/dbraw/zinc/07/36/02/606073602.db2.gz RJDZMCUFVHEINE-VQHPVUNQSA-N -1 1 390.484 2.494 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822457875 606120418 /nfs/dbraw/zinc/12/04/18/606120418.db2.gz AQJYZTLETOARJT-GASCZTMLSA-N -1 1 394.483 2.107 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000822457875 606120420 /nfs/dbraw/zinc/12/04/20/606120420.db2.gz AQJYZTLETOARJT-GASCZTMLSA-N -1 1 394.483 2.107 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1-c1nn[n-]n1 ZINC000821978358 606128335 /nfs/dbraw/zinc/12/83/35/606128335.db2.gz LVLZLIAPBLRJMW-UHFFFAOYSA-N -1 1 396.432 2.461 20 0 GEADMM Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822356216 606134539 /nfs/dbraw/zinc/13/45/39/606134539.db2.gz NKOOLNKXOWSSFH-LBPRGKRZSA-N -1 1 385.449 2.141 20 0 GEADMM Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822356216 606134541 /nfs/dbraw/zinc/13/45/41/606134541.db2.gz NKOOLNKXOWSSFH-LBPRGKRZSA-N -1 1 385.449 2.141 20 0 GEADMM CC(=O)N(c1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cs1)C1CC1 ZINC000819789351 606135334 /nfs/dbraw/zinc/13/53/34/606135334.db2.gz LVPQTXNYJGTPSM-UHFFFAOYSA-N -1 1 390.450 2.257 20 0 GEADMM CC(=O)N(c1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cs1)C1CC1 ZINC000819789351 606135336 /nfs/dbraw/zinc/13/53/36/606135336.db2.gz LVPQTXNYJGTPSM-UHFFFAOYSA-N -1 1 390.450 2.257 20 0 GEADMM O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440422 606136166 /nfs/dbraw/zinc/13/61/66/606136166.db2.gz SOKMMQAAZLXKML-UHFFFAOYSA-N -1 1 398.360 2.064 20 0 GEADMM O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440422 606136167 /nfs/dbraw/zinc/13/61/67/606136167.db2.gz SOKMMQAAZLXKML-UHFFFAOYSA-N -1 1 398.360 2.064 20 0 GEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822422933 606136886 /nfs/dbraw/zinc/13/68/86/606136886.db2.gz GCEMLXKWYJKWCZ-UHFFFAOYSA-N -1 1 381.440 2.240 20 0 GEADMM CCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000821487755 606139604 /nfs/dbraw/zinc/13/96/04/606139604.db2.gz XDULNNCANRPJKP-UHFFFAOYSA-N -1 1 377.451 2.025 20 0 GEADMM CCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000821487755 606139605 /nfs/dbraw/zinc/13/96/05/606139605.db2.gz XDULNNCANRPJKP-UHFFFAOYSA-N -1 1 377.451 2.025 20 0 GEADMM Cn1cccc1[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822693974 606145357 /nfs/dbraw/zinc/14/53/57/606145357.db2.gz PXTAFTPZSNPEAQ-CQSZACIVSA-N -1 1 390.444 2.260 20 0 GEADMM Cn1cccc1[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822693974 606145359 /nfs/dbraw/zinc/14/53/59/606145359.db2.gz PXTAFTPZSNPEAQ-CQSZACIVSA-N -1 1 390.444 2.260 20 0 GEADMM COc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@@H](C)C2CC2)cc1 ZINC000821794983 606155422 /nfs/dbraw/zinc/15/54/22/606155422.db2.gz ROEODIUZKBWGOA-LBPRGKRZSA-N -1 1 396.455 2.441 20 0 GEADMM COc1ccc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@@H](C)C2CC2)cc1 ZINC000821794983 606155423 /nfs/dbraw/zinc/15/54/23/606155423.db2.gz ROEODIUZKBWGOA-LBPRGKRZSA-N -1 1 396.455 2.441 20 0 GEADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820294114 606160934 /nfs/dbraw/zinc/16/09/34/606160934.db2.gz QYRYUTPDXNYBNG-SECBINFHSA-N -1 1 394.361 2.372 20 0 GEADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820294114 606160936 /nfs/dbraw/zinc/16/09/36/606160936.db2.gz QYRYUTPDXNYBNG-SECBINFHSA-N -1 1 394.361 2.372 20 0 GEADMM COc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000821765771 606163036 /nfs/dbraw/zinc/16/30/36/606163036.db2.gz KGIQGRUDELUNMA-HJWRWDBZSA-N -1 1 375.385 2.427 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000820380166 606164775 /nfs/dbraw/zinc/16/47/75/606164775.db2.gz MJFVTCUCVVKSAJ-MRVPVSSYSA-N -1 1 378.343 2.084 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000820380166 606164777 /nfs/dbraw/zinc/16/47/77/606164777.db2.gz MJFVTCUCVVKSAJ-MRVPVSSYSA-N -1 1 378.343 2.084 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000820379810 606166092 /nfs/dbraw/zinc/16/60/92/606166092.db2.gz HXPDTRLONYGYRB-QMMMGPOBSA-N -1 1 396.333 2.382 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000820379810 606166094 /nfs/dbraw/zinc/16/60/94/606166094.db2.gz HXPDTRLONYGYRB-QMMMGPOBSA-N -1 1 396.333 2.382 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000820379809 606166563 /nfs/dbraw/zinc/16/65/63/606166563.db2.gz HXPDTRLONYGYRB-MRVPVSSYSA-N -1 1 396.333 2.382 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000820379809 606166564 /nfs/dbraw/zinc/16/65/64/606166564.db2.gz HXPDTRLONYGYRB-MRVPVSSYSA-N -1 1 396.333 2.382 20 0 GEADMM COc1ccccc1C1(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCCC1 ZINC000821889784 606166966 /nfs/dbraw/zinc/16/69/66/606166966.db2.gz FWGFIYORQOXCHD-UHFFFAOYSA-N -1 1 396.455 2.242 20 0 GEADMM COc1ccccc1C1(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCCC1 ZINC000821889784 606166968 /nfs/dbraw/zinc/16/69/68/606166968.db2.gz FWGFIYORQOXCHD-UHFFFAOYSA-N -1 1 396.455 2.242 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000820380745 606167930 /nfs/dbraw/zinc/16/79/30/606167930.db2.gz ZLDXFXQMCALFNN-MRVPVSSYSA-N -1 1 378.343 2.084 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000820380745 606167932 /nfs/dbraw/zinc/16/79/32/606167932.db2.gz ZLDXFXQMCALFNN-MRVPVSSYSA-N -1 1 378.343 2.084 20 0 GEADMM CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000821153401 606170142 /nfs/dbraw/zinc/17/01/42/606170142.db2.gz AQKVGCPUXLPFCS-GFCCVEGCSA-N -1 1 384.444 2.094 20 0 GEADMM CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000821153401 606170143 /nfs/dbraw/zinc/17/01/43/606170143.db2.gz AQKVGCPUXLPFCS-GFCCVEGCSA-N -1 1 384.444 2.094 20 0 GEADMM COc1ccc2cc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)ccc2c1 ZINC000821854535 606170155 /nfs/dbraw/zinc/17/01/55/606170155.db2.gz MDMYAIGXHKSATC-UHFFFAOYSA-N -1 1 378.396 2.084 20 0 GEADMM COc1ccc2cc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)ccc2c1 ZINC000821854535 606170156 /nfs/dbraw/zinc/17/01/56/606170156.db2.gz MDMYAIGXHKSATC-UHFFFAOYSA-N -1 1 378.396 2.084 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000822614645 606173349 /nfs/dbraw/zinc/17/33/49/606173349.db2.gz PFOJMQHRXCBSDW-SECBINFHSA-N -1 1 395.210 2.162 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000822614645 606173351 /nfs/dbraw/zinc/17/33/51/606173351.db2.gz PFOJMQHRXCBSDW-SECBINFHSA-N -1 1 395.210 2.162 20 0 GEADMM O=C(Oc1ccc(O[C@@H]2CCCCNC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454056 606178098 /nfs/dbraw/zinc/17/80/98/606178098.db2.gz KGGCXNHIWWUYGW-CYBMUJFWSA-N -1 1 399.432 2.195 20 0 GEADMM O=C(Oc1ccc(O[C@@H]2CCCCNC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454056 606178099 /nfs/dbraw/zinc/17/80/99/606178099.db2.gz KGGCXNHIWWUYGW-CYBMUJFWSA-N -1 1 399.432 2.195 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000823294722 606196134 /nfs/dbraw/zinc/19/61/34/606196134.db2.gz OUBAQJPPBRUXCT-UHFFFAOYSA-N -1 1 385.815 2.473 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000822535485 606327107 /nfs/dbraw/zinc/32/71/07/606327107.db2.gz SZBCWRODULPJPB-ORAYPTAESA-N -1 1 384.440 2.230 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000822535485 606327110 /nfs/dbraw/zinc/32/71/10/606327110.db2.gz SZBCWRODULPJPB-ORAYPTAESA-N -1 1 384.440 2.230 20 0 GEADMM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000823589043 606331935 /nfs/dbraw/zinc/33/19/35/606331935.db2.gz JNKUTLOMMPUOSP-UHFFFAOYSA-N -1 1 381.364 2.311 20 0 GEADMM COCCNC(=O)C(=Cc1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2[nH]1 ZINC000821691301 606388516 /nfs/dbraw/zinc/38/85/16/606388516.db2.gz PGYKDVSHZINLFX-BENRWUELSA-N -1 1 395.448 2.108 20 0 GEADMM CC[C@@H](C)N1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000820876149 606393401 /nfs/dbraw/zinc/39/34/01/606393401.db2.gz MNCJVANHQRLPKD-AMIZOPFISA-N -1 1 376.442 2.240 20 0 GEADMM CC1=C(C(=O)N(C)C)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1CC(C)C ZINC000820637748 606393677 /nfs/dbraw/zinc/39/36/77/606393677.db2.gz ZLSZLFKKNFXCDF-CQSZACIVSA-N -1 1 389.485 2.013 20 0 GEADMM COc1ccccc1-n1nnnc1Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821882792 606440333 /nfs/dbraw/zinc/44/03/33/606440333.db2.gz KYKVOWLJSPTTRM-UHFFFAOYSA-N -1 1 387.816 2.051 20 0 GEADMM COc1ccccc1-n1nnnc1Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821882792 606440334 /nfs/dbraw/zinc/44/03/34/606440334.db2.gz KYKVOWLJSPTTRM-UHFFFAOYSA-N -1 1 387.816 2.051 20 0 GEADMM CCN1C(=S)N=NC1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821564027 606466392 /nfs/dbraw/zinc/46/63/92/606466392.db2.gz PZRHNPRVJQMLLG-UHFFFAOYSA-N -1 1 391.892 2.199 20 0 GEADMM CCN1C(=S)N=NC1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821564027 606466393 /nfs/dbraw/zinc/46/63/93/606466393.db2.gz PZRHNPRVJQMLLG-UHFFFAOYSA-N -1 1 391.892 2.199 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CCC(F)(F)F)CC1CC1 ZINC000823607939 606474366 /nfs/dbraw/zinc/47/43/66/606474366.db2.gz ZUCRSPCIXUUSLW-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CCC(F)(F)F)CC1CC1 ZINC000823607939 606474368 /nfs/dbraw/zinc/47/43/68/606474368.db2.gz ZUCRSPCIXUUSLW-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823357542 606492828 /nfs/dbraw/zinc/49/28/28/606492828.db2.gz XALWVVIGHRURAG-UHFFFAOYSA-N -1 1 385.377 2.177 20 0 GEADMM O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823357542 606492829 /nfs/dbraw/zinc/49/28/29/606492829.db2.gz XALWVVIGHRURAG-UHFFFAOYSA-N -1 1 385.377 2.177 20 0 GEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820563831 606494577 /nfs/dbraw/zinc/49/45/77/606494577.db2.gz VTEPODLHXINRBJ-NSHDSACASA-N -1 1 380.437 2.342 20 0 GEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820563831 606494578 /nfs/dbraw/zinc/49/45/78/606494578.db2.gz VTEPODLHXINRBJ-NSHDSACASA-N -1 1 380.437 2.342 20 0 GEADMM CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821615992 606497244 /nfs/dbraw/zinc/49/72/44/606497244.db2.gz XZCKVWQPGTYMGT-UHFFFAOYSA-N -1 1 384.465 2.037 20 0 GEADMM CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821615992 606497246 /nfs/dbraw/zinc/49/72/46/606497246.db2.gz XZCKVWQPGTYMGT-UHFFFAOYSA-N -1 1 384.465 2.037 20 0 GEADMM O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823540406 606509391 /nfs/dbraw/zinc/50/93/91/606509391.db2.gz CQFHUGDUUMETLF-UHFFFAOYSA-N -1 1 376.785 2.165 20 0 GEADMM O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823540406 606509393 /nfs/dbraw/zinc/50/93/93/606509393.db2.gz CQFHUGDUUMETLF-UHFFFAOYSA-N -1 1 376.785 2.165 20 0 GEADMM Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cn2)n1 ZINC000822197895 606513559 /nfs/dbraw/zinc/51/35/59/606513559.db2.gz TXXQYXVHJGYASZ-UHFFFAOYSA-N -1 1 380.437 2.056 20 0 GEADMM Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)n1 ZINC000822197895 606513561 /nfs/dbraw/zinc/51/35/61/606513561.db2.gz TXXQYXVHJGYASZ-UHFFFAOYSA-N -1 1 380.437 2.056 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819933036 606525626 /nfs/dbraw/zinc/52/56/26/606525626.db2.gz CTCKJGDPIKPFNI-UHFFFAOYSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819933036 606525628 /nfs/dbraw/zinc/52/56/28/606525628.db2.gz CTCKJGDPIKPFNI-UHFFFAOYSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2 ZINC000819981172 606538696 /nfs/dbraw/zinc/53/86/96/606538696.db2.gz OWOLXIKBABGOOS-UHFFFAOYSA-N -1 1 385.449 2.407 20 0 GEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCCO2 ZINC000819981172 606538699 /nfs/dbraw/zinc/53/86/99/606538699.db2.gz OWOLXIKBABGOOS-UHFFFAOYSA-N -1 1 385.449 2.407 20 0 GEADMM COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821899367 606542981 /nfs/dbraw/zinc/54/29/81/606542981.db2.gz XSGMZXJXOCXMGP-GFCCVEGCSA-N -1 1 384.465 2.193 20 0 GEADMM COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821899367 606542983 /nfs/dbraw/zinc/54/29/83/606542983.db2.gz XSGMZXJXOCXMGP-GFCCVEGCSA-N -1 1 384.465 2.193 20 0 GEADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1cccc2ccccc21 ZINC000823005643 606544782 /nfs/dbraw/zinc/54/47/82/606544782.db2.gz ZZWGYFJUXOTQRW-UHFFFAOYSA-N -1 1 378.417 2.450 20 0 GEADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1cccc2ccccc21 ZINC000823005643 606544783 /nfs/dbraw/zinc/54/47/83/606544783.db2.gz ZZWGYFJUXOTQRW-UHFFFAOYSA-N -1 1 378.417 2.450 20 0 GEADMM CN(C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000821596722 606552007 /nfs/dbraw/zinc/55/20/07/606552007.db2.gz SKTVEQVYQZCUEW-LLVKDONJSA-N -1 1 392.485 2.257 20 0 GEADMM CN(C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000821596722 606552010 /nfs/dbraw/zinc/55/20/10/606552010.db2.gz SKTVEQVYQZCUEW-LLVKDONJSA-N -1 1 392.485 2.257 20 0 GEADMM Cc1ccc2oc(N3CCN(C(=O)c4ccc(-c5nnn[n-]5)s4)CC3)nc2c1 ZINC000822284265 606560375 /nfs/dbraw/zinc/56/03/75/606560375.db2.gz NFQWDVHLOXVAML-UHFFFAOYSA-N -1 1 395.448 2.340 20 0 GEADMM Cc1ccc2oc(N3CCN(C(=O)c4ccc(-c5nn[n-]n5)s4)CC3)nc2c1 ZINC000822284265 606560376 /nfs/dbraw/zinc/56/03/76/606560376.db2.gz NFQWDVHLOXVAML-UHFFFAOYSA-N -1 1 395.448 2.340 20 0 GEADMM O=C(NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1)c1ccccc1 ZINC000823176067 606583126 /nfs/dbraw/zinc/58/31/26/606583126.db2.gz POZSCIGQKVDKOI-CYBMUJFWSA-N -1 1 396.476 2.210 20 0 GEADMM O=C(NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1)c1ccccc1 ZINC000823176067 606583128 /nfs/dbraw/zinc/58/31/28/606583128.db2.gz POZSCIGQKVDKOI-CYBMUJFWSA-N -1 1 396.476 2.210 20 0 GEADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@H](c3ccco3)C2)c(-c2nn[n-]n2)c1C ZINC000822542024 606632210 /nfs/dbraw/zinc/63/22/10/606632210.db2.gz SOGCFUDUPHFREE-FZMZJTMJSA-N -1 1 386.412 2.070 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000823436307 606650563 /nfs/dbraw/zinc/65/05/63/606650563.db2.gz PDXHQZQCASNJLI-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000823436307 606650564 /nfs/dbraw/zinc/65/05/64/606650564.db2.gz PDXHQZQCASNJLI-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819817340 606652457 /nfs/dbraw/zinc/65/24/57/606652457.db2.gz AZADLDSWRIVUQT-LLVKDONJSA-N -1 1 398.448 2.444 20 0 GEADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819817340 606652458 /nfs/dbraw/zinc/65/24/58/606652458.db2.gz AZADLDSWRIVUQT-LLVKDONJSA-N -1 1 398.448 2.444 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nnn1-c1cccc(Cl)c1 ZINC000822020983 606652580 /nfs/dbraw/zinc/65/25/80/606652580.db2.gz QFHKUPWLTHDXPH-UHFFFAOYSA-N -1 1 396.798 2.161 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nnn1-c1cccc(Cl)c1 ZINC000822020983 606652581 /nfs/dbraw/zinc/65/25/81/606652581.db2.gz QFHKUPWLTHDXPH-UHFFFAOYSA-N -1 1 396.798 2.161 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2cc(F)cc(F)c21 ZINC000823607847 606764185 /nfs/dbraw/zinc/76/41/85/606764185.db2.gz YHJHPNMQLVEQNK-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1c(F)cccc1Cl ZINC000820804640 606780546 /nfs/dbraw/zinc/78/05/46/606780546.db2.gz WOSORCIRRIZKGV-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1c(F)cccc1Cl ZINC000820804640 606780548 /nfs/dbraw/zinc/78/05/48/606780548.db2.gz WOSORCIRRIZKGV-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000819940257 606788006 /nfs/dbraw/zinc/78/80/06/606788006.db2.gz UUUKHWQEACWFAT-SNVBAGLBSA-N -1 1 379.852 2.409 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000819940257 606788008 /nfs/dbraw/zinc/78/80/08/606788008.db2.gz UUUKHWQEACWFAT-SNVBAGLBSA-N -1 1 379.852 2.409 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccn2ccnc2c1 ZINC000822541745 606809513 /nfs/dbraw/zinc/80/95/13/606809513.db2.gz PVWUYXSGWYMCHK-UHFFFAOYSA-N -1 1 388.391 2.137 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)CC(C)(C)C ZINC000820220283 606824413 /nfs/dbraw/zinc/82/44/13/606824413.db2.gz QCPVWSYULZHRST-KGLIPLIRSA-N -1 1 386.504 2.156 20 0 GEADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)CC(C)(C)C ZINC000820220283 606824415 /nfs/dbraw/zinc/82/44/15/606824415.db2.gz QCPVWSYULZHRST-KGLIPLIRSA-N -1 1 386.504 2.156 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(CO)CCCCC1 ZINC000822535213 606825618 /nfs/dbraw/zinc/82/56/18/606825618.db2.gz JRLINPAHQJIOPI-UHFFFAOYSA-N -1 1 384.440 2.231 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(CO)CCCCC1 ZINC000822535213 606825620 /nfs/dbraw/zinc/82/56/20/606825620.db2.gz JRLINPAHQJIOPI-UHFFFAOYSA-N -1 1 384.440 2.231 20 0 GEADMM Cc1ccc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cc1O ZINC000822242636 606831404 /nfs/dbraw/zinc/83/14/04/606831404.db2.gz RXACGTJGFBBURZ-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM Cc1ccc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cc1O ZINC000822242636 606831412 /nfs/dbraw/zinc/83/14/12/606831412.db2.gz RXACGTJGFBBURZ-UHFFFAOYSA-N -1 1 392.423 2.112 20 0 GEADMM Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822366799 606841026 /nfs/dbraw/zinc/84/10/26/606841026.db2.gz TWCCTTNPBBDBPM-UHFFFAOYSA-N -1 1 391.428 2.014 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC2(C1)CCCCCC2 ZINC000823601290 606875595 /nfs/dbraw/zinc/87/55/95/606875595.db2.gz ZDZRGVZECQHOSB-UHFFFAOYSA-N -1 1 395.460 2.120 20 0 GEADMM Cc1oc(NC(=O)CN(C)Cc2cc(Cl)cn2C)c(-c2nn[n-]n2)c1C ZINC000822549181 606880875 /nfs/dbraw/zinc/88/08/75/606880875.db2.gz UXDWWMVCOSXPLY-UHFFFAOYSA-N -1 1 377.836 2.139 20 0 GEADMM COc1cccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821857750 606886580 /nfs/dbraw/zinc/88/65/80/606886580.db2.gz AFSSVXKDFZMROM-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000822228988 606886881 /nfs/dbraw/zinc/88/68/81/606886881.db2.gz KCDQCRSGJWFGGO-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822274940 606888932 /nfs/dbraw/zinc/88/89/32/606888932.db2.gz LYSSLWSZKROESE-HNNXBMFYSA-N -1 1 391.403 2.419 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC/C(Cl)=C\Cl ZINC000822458639 606945215 /nfs/dbraw/zinc/94/52/15/606945215.db2.gz GXVZQZOLIYQRPB-BJMVGYQFSA-N -1 1 396.238 2.321 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC/C(Cl)=C\Cl ZINC000822458639 606945216 /nfs/dbraw/zinc/94/52/16/606945216.db2.gz GXVZQZOLIYQRPB-BJMVGYQFSA-N -1 1 396.238 2.321 20 0 GEADMM Cc1cccc(Oc2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822331335 607205079 /nfs/dbraw/zinc/20/50/79/607205079.db2.gz DXHYIENIVVHCAB-UHFFFAOYSA-N -1 1 376.380 2.198 20 0 GEADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000820333791 607212506 /nfs/dbraw/zinc/21/25/06/607212506.db2.gz GIVNHGVDXMBZGT-ZDUSSCGKSA-N -1 1 390.407 2.128 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)ccc1Oc1ccccc1 ZINC000823131781 607213780 /nfs/dbraw/zinc/21/37/80/607213780.db2.gz OGDKEFPFJBDDBI-UHFFFAOYSA-N -1 1 380.343 2.028 20 0 GEADMM Cc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@H](C)C1 ZINC000822352415 607216872 /nfs/dbraw/zinc/21/68/72/607216872.db2.gz ZCAKZRPKQOSHPN-JCKWVBRZSA-N -1 1 394.483 2.450 20 0 GEADMM CC(C)(C)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000819906727 607218436 /nfs/dbraw/zinc/21/84/36/607218436.db2.gz JRQHJNXSNWZHIK-CYBMUJFWSA-N -1 1 388.863 2.405 20 0 GEADMM CCCCCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821056637 607222152 /nfs/dbraw/zinc/22/21/52/607222152.db2.gz VBUMYJNGVLAFLJ-UHFFFAOYSA-N -1 1 398.471 2.042 20 0 GEADMM Cc1oc(NC(=O)COC(=O)C[C@H](C)c2ccncc2)c(-c2nn[n-]n2)c1C ZINC000826342632 607856694 /nfs/dbraw/zinc/85/66/94/607856694.db2.gz SZYATDXFGIJLPS-JTQLQIEISA-N -1 1 384.396 2.147 20 0 GEADMM CCOC(=O)c1ccsc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825565025 607863199 /nfs/dbraw/zinc/86/31/99/607863199.db2.gz KELNTXKMKWYWKT-UHFFFAOYSA-N -1 1 391.384 2.262 20 0 GEADMM CCOC(=O)c1ccsc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825565025 607863200 /nfs/dbraw/zinc/86/32/00/607863200.db2.gz KELNTXKMKWYWKT-UHFFFAOYSA-N -1 1 391.384 2.262 20 0 GEADMM CN(CCOc1ccccc1F)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825946250 607864957 /nfs/dbraw/zinc/86/49/57/607864957.db2.gz PRYFOGINNGOGTH-UHFFFAOYSA-N -1 1 389.362 2.061 20 0 GEADMM CN(CCOc1ccccc1F)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825946250 607864958 /nfs/dbraw/zinc/86/49/58/607864958.db2.gz PRYFOGINNGOGTH-UHFFFAOYSA-N -1 1 389.362 2.061 20 0 GEADMM CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826004007 607879970 /nfs/dbraw/zinc/87/99/70/607879970.db2.gz DSACMDUKIOUWLC-UHFFFAOYSA-N -1 1 393.812 2.074 20 0 GEADMM c1cc(Nc2ccc3nc(N4CCOCC4)sc3c2)nc(-c2nnn[n-]2)c1 ZINC000826517433 607896024 /nfs/dbraw/zinc/89/60/24/607896024.db2.gz BZROAQBBTSJALX-UHFFFAOYSA-N -1 1 380.437 2.452 20 0 GEADMM c1cc(Nc2ccc3nc(N4CCOCC4)sc3c2)nc(-c2nn[n-]n2)c1 ZINC000826517433 607896025 /nfs/dbraw/zinc/89/60/25/607896025.db2.gz BZROAQBBTSJALX-UHFFFAOYSA-N -1 1 380.437 2.452 20 0 GEADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(Br)n1 ZINC000826282166 607919286 /nfs/dbraw/zinc/91/92/86/607919286.db2.gz AZQYGBSZZANLNE-UHFFFAOYSA-N -1 1 375.186 2.085 20 0 GEADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(Br)n1 ZINC000826282166 607919287 /nfs/dbraw/zinc/91/92/87/607919287.db2.gz AZQYGBSZZANLNE-UHFFFAOYSA-N -1 1 375.186 2.085 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000826232872 607955875 /nfs/dbraw/zinc/95/58/75/607955875.db2.gz LRKQCSQBHXGCMN-UHFFFAOYSA-N -1 1 396.373 2.238 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)Cc2ccccc21 ZINC000824811840 607973153 /nfs/dbraw/zinc/97/31/53/607973153.db2.gz DTEFVZJAQXHWDP-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM CC1(C)CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)Cc2ccccc21 ZINC000824811840 607973154 /nfs/dbraw/zinc/97/31/54/607973154.db2.gz DTEFVZJAQXHWDP-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM NC(=O)CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826391563 607994734 /nfs/dbraw/zinc/99/47/34/607994734.db2.gz QSCRLLHQTUUUOI-UHFFFAOYSA-N -1 1 387.783 2.345 20 0 GEADMM Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C(C)C)cc1 ZINC000826282033 607997017 /nfs/dbraw/zinc/99/70/17/607997017.db2.gz VGMCAQWWJUSKMZ-QGZVFWFLSA-N -1 1 394.435 2.274 20 0 GEADMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823882708 607997134 /nfs/dbraw/zinc/99/71/34/607997134.db2.gz BTNZMESFYWZCGZ-NSHDSACASA-N -1 1 376.376 2.026 20 0 GEADMM O=S(=O)(Oc1ccc2nccnc2c1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493266 608026095 /nfs/dbraw/zinc/02/60/95/608026095.db2.gz BTAWHQXPTUNQHR-UHFFFAOYSA-N -1 1 388.796 2.231 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826333180 608059235 /nfs/dbraw/zinc/05/92/35/608059235.db2.gz XNAZTNYQKWYSFW-OCCSQVGLSA-N -1 1 394.435 2.409 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1CCC(F)(F)CC1 ZINC000826233177 608060557 /nfs/dbraw/zinc/06/05/57/608060557.db2.gz WTVZSOKGFLSNKK-UHFFFAOYSA-N -1 1 380.399 2.211 20 0 GEADMM O=S(=O)(NC12CCC(CC1)C2)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488439 608124908 /nfs/dbraw/zinc/12/49/08/608124908.db2.gz PTVDYOUMXDLBFP-UHFFFAOYSA-N -1 1 387.387 2.497 20 0 GEADMM Cc1cccc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000826297651 608125101 /nfs/dbraw/zinc/12/51/01/608125101.db2.gz OADVZQBZPAFXEQ-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1cccc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000826297651 608125102 /nfs/dbraw/zinc/12/51/02/608125102.db2.gz OADVZQBZPAFXEQ-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)OCc1ccc(Cl)cc1 ZINC000826412655 608141315 /nfs/dbraw/zinc/14/13/15/608141315.db2.gz XIPMTWBUHJCBOI-UHFFFAOYSA-N -1 1 377.813 2.055 20 0 GEADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)OCc1ccc(Cl)cc1 ZINC000826412655 608141316 /nfs/dbraw/zinc/14/13/16/608141316.db2.gz XIPMTWBUHJCBOI-UHFFFAOYSA-N -1 1 377.813 2.055 20 0 GEADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000826231349 608146191 /nfs/dbraw/zinc/14/61/91/608146191.db2.gz HTWHGXCJIHIMMW-CYBMUJFWSA-N -1 1 393.451 2.184 20 0 GEADMM Cc1ncc(CN2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)s1 ZINC000826329558 608182244 /nfs/dbraw/zinc/18/22/44/608182244.db2.gz IDRMINQLFGIIEH-UHFFFAOYSA-N -1 1 382.906 2.064 20 0 GEADMM Cc1ncc(CN2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)s1 ZINC000826329558 608182246 /nfs/dbraw/zinc/18/22/46/608182246.db2.gz IDRMINQLFGIIEH-UHFFFAOYSA-N -1 1 382.906 2.064 20 0 GEADMM CCOC(=O)C(C)(C)n1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000825486227 608190401 /nfs/dbraw/zinc/19/04/01/608190401.db2.gz ORYVVXDYKRZXFH-UHFFFAOYSA-N -1 1 382.837 2.215 20 0 GEADMM CCOC(=O)C(C)(C)n1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000825486227 608190403 /nfs/dbraw/zinc/19/04/03/608190403.db2.gz ORYVVXDYKRZXFH-UHFFFAOYSA-N -1 1 382.837 2.215 20 0 GEADMM Cc1ccncc1[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826314592 608201599 /nfs/dbraw/zinc/20/15/99/608201599.db2.gz DIRWJYQJVOPRDT-ZDUSSCGKSA-N -1 1 381.440 2.098 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229898 608209732 /nfs/dbraw/zinc/20/97/32/608209732.db2.gz WCVAKVQAOKAZOM-BXKDBHETSA-N -1 1 392.485 2.013 20 0 GEADMM CC(C)[C@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824192934 608212349 /nfs/dbraw/zinc/21/23/49/608212349.db2.gz PAQNYGWLQNTVRR-HNNXBMFYSA-N -1 1 396.499 2.078 20 0 GEADMM CC(C)[C@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824192934 608212350 /nfs/dbraw/zinc/21/23/50/608212350.db2.gz PAQNYGWLQNTVRR-HNNXBMFYSA-N -1 1 396.499 2.078 20 0 GEADMM CCc1nc2ccccc2n1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825749407 608241285 /nfs/dbraw/zinc/24/12/85/608241285.db2.gz DMZQFXJAHUPQKE-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM CCc1nc2ccccc2n1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825749407 608241287 /nfs/dbraw/zinc/24/12/87/608241287.db2.gz DMZQFXJAHUPQKE-UHFFFAOYSA-N -1 1 375.440 2.410 20 0 GEADMM Cn1ccc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)n1 ZINC000826363299 608243297 /nfs/dbraw/zinc/24/32/97/608243297.db2.gz GNNUCOYRRUUVRB-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM Cn1ccc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)n1 ZINC000826363299 608243300 /nfs/dbraw/zinc/24/33/00/608243300.db2.gz GNNUCOYRRUUVRB-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000826340985 608250835 /nfs/dbraw/zinc/25/08/35/608250835.db2.gz RDBUCVHQLCVHBC-KGLIPLIRSA-N -1 1 384.440 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000826340985 608250836 /nfs/dbraw/zinc/25/08/36/608250836.db2.gz RDBUCVHQLCVHBC-KGLIPLIRSA-N -1 1 384.440 2.492 20 0 GEADMM CC[C@@H](CSC)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825128604 608306766 /nfs/dbraw/zinc/30/67/66/608306766.db2.gz WGNVNFPOPPKMLI-VIFPVBQESA-N -1 1 375.907 2.282 20 0 GEADMM CC[C@@H](CSC)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825128604 608306768 /nfs/dbraw/zinc/30/67/68/608306768.db2.gz WGNVNFPOPPKMLI-VIFPVBQESA-N -1 1 375.907 2.282 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)C1CCCCC1 ZINC000825001119 608309379 /nfs/dbraw/zinc/30/93/79/608309379.db2.gz XJCISFIKQVMNBG-AWEZNQCLSA-N -1 1 398.515 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)C1CCCCC1 ZINC000825001119 608309381 /nfs/dbraw/zinc/30/93/81/608309381.db2.gz XJCISFIKQVMNBG-AWEZNQCLSA-N -1 1 398.515 2.300 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN2CCO[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826332529 608315992 /nfs/dbraw/zinc/31/59/92/608315992.db2.gz WZKOGWAOAJKJTO-AWEZNQCLSA-N -1 1 393.373 2.124 20 0 GEADMM C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824776913 608391264 /nfs/dbraw/zinc/39/12/64/608391264.db2.gz FPPYKKJSRAUNOB-LBPRGKRZSA-N -1 1 393.480 2.150 20 0 GEADMM C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824776913 608391266 /nfs/dbraw/zinc/39/12/66/608391266.db2.gz FPPYKKJSRAUNOB-LBPRGKRZSA-N -1 1 393.480 2.150 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000825481257 608393892 /nfs/dbraw/zinc/39/38/92/608393892.db2.gz UYFVSSFDRBJBEH-UHFFFAOYSA-N -1 1 388.453 2.246 20 0 GEADMM CC(C)(C)OC(=O)NCCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824113855 608409290 /nfs/dbraw/zinc/40/92/90/608409290.db2.gz FXIJDZVTTDQKHS-UHFFFAOYSA-N -1 1 396.455 2.336 20 0 GEADMM CC(C)(C)OC(=O)NCCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824113855 608409292 /nfs/dbraw/zinc/40/92/92/608409292.db2.gz FXIJDZVTTDQKHS-UHFFFAOYSA-N -1 1 396.455 2.336 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826483625 608412700 /nfs/dbraw/zinc/41/27/00/608412700.db2.gz UGZUJDVAOANGAF-MRXNPFEDSA-N -1 1 396.842 2.262 20 0 GEADMM O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826483625 608412701 /nfs/dbraw/zinc/41/27/01/608412701.db2.gz UGZUJDVAOANGAF-MRXNPFEDSA-N -1 1 396.842 2.262 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nnn[n-]3)nn1)O[C@H](C)C2 ZINC000825616032 608415342 /nfs/dbraw/zinc/41/53/42/608415342.db2.gz UMAFIJUHRDCQCU-GMXABZIVSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(-c3nn[n-]n3)nn1)O[C@H](C)C2 ZINC000825616032 608415343 /nfs/dbraw/zinc/41/53/43/608415343.db2.gz UMAFIJUHRDCQCU-GMXABZIVSA-N -1 1 379.424 2.347 20 0 GEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000824655122 608417748 /nfs/dbraw/zinc/41/77/48/608417748.db2.gz BHQXNIWIOZKGEE-LBPRGKRZSA-N -1 1 387.407 2.477 20 0 GEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000824655122 608417750 /nfs/dbraw/zinc/41/77/50/608417750.db2.gz BHQXNIWIOZKGEE-LBPRGKRZSA-N -1 1 387.407 2.477 20 0 GEADMM FC(F)(F)c1cnc(OCCNc2ccc(-c3nnn[n-]3)nn2)c(Cl)c1 ZINC000826369209 608423763 /nfs/dbraw/zinc/42/37/63/608423763.db2.gz SAPIIXXSTNLRDR-UHFFFAOYSA-N -1 1 386.725 2.215 20 0 GEADMM FC(F)(F)c1cnc(OCCNc2ccc(-c3nn[n-]n3)nn2)c(Cl)c1 ZINC000826369209 608423764 /nfs/dbraw/zinc/42/37/64/608423764.db2.gz SAPIIXXSTNLRDR-UHFFFAOYSA-N -1 1 386.725 2.215 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824109410 608424007 /nfs/dbraw/zinc/42/40/07/608424007.db2.gz PKZNAYSCLWCTLA-CQSZACIVSA-N -1 1 382.428 2.335 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824109410 608424009 /nfs/dbraw/zinc/42/40/09/608424009.db2.gz PKZNAYSCLWCTLA-CQSZACIVSA-N -1 1 382.428 2.335 20 0 GEADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000826004432 608435684 /nfs/dbraw/zinc/43/56/84/608435684.db2.gz XTNILDBIAMDFOB-FUNVUKJBSA-N -1 1 386.460 2.023 20 0 GEADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000826004432 608435686 /nfs/dbraw/zinc/43/56/86/608435686.db2.gz XTNILDBIAMDFOB-FUNVUKJBSA-N -1 1 386.460 2.023 20 0 GEADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825148847 608437106 /nfs/dbraw/zinc/43/71/06/608437106.db2.gz URLXVSMGSRUWMO-YOEHRIQHSA-N -1 1 376.428 2.037 20 0 GEADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825148847 608437107 /nfs/dbraw/zinc/43/71/07/608437107.db2.gz URLXVSMGSRUWMO-YOEHRIQHSA-N -1 1 376.428 2.037 20 0 GEADMM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826457117 608437948 /nfs/dbraw/zinc/43/79/48/608437948.db2.gz MWDOJTLLTHJYNI-QGZVFWFLSA-N -1 1 386.419 2.319 20 0 GEADMM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826457117 608437949 /nfs/dbraw/zinc/43/79/49/608437949.db2.gz MWDOJTLLTHJYNI-QGZVFWFLSA-N -1 1 386.419 2.319 20 0 GEADMM CCc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1CC ZINC000825712912 608507194 /nfs/dbraw/zinc/50/71/94/608507194.db2.gz XGHXWEIXACKVSO-UHFFFAOYSA-N -1 1 383.460 2.051 20 0 GEADMM CCc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1CC ZINC000825712912 608507195 /nfs/dbraw/zinc/50/71/95/608507195.db2.gz XGHXWEIXACKVSO-UHFFFAOYSA-N -1 1 383.460 2.051 20 0 GEADMM CCc1nn(Cc2cccc(OC(C)(C)C)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763132 608544193 /nfs/dbraw/zinc/54/41/93/608544193.db2.gz PIZQZXUXQVCPMN-UHFFFAOYSA-N -1 1 383.456 2.169 20 0 GEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000826280452 608544540 /nfs/dbraw/zinc/54/45/40/608544540.db2.gz CCOCDBQQSMCDOG-MRXNPFEDSA-N -1 1 379.424 2.300 20 0 GEADMM CC(C)c1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824352342 608548737 /nfs/dbraw/zinc/54/87/37/608548737.db2.gz AHLLPVMTJRGODL-UHFFFAOYSA-N -1 1 383.460 2.392 20 0 GEADMM CC(C)c1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824352342 608548740 /nfs/dbraw/zinc/54/87/40/608548740.db2.gz AHLLPVMTJRGODL-UHFFFAOYSA-N -1 1 383.460 2.392 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000825929996 608548997 /nfs/dbraw/zinc/54/89/97/608548997.db2.gz NVXTUHYIOQORGV-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000825929996 608548999 /nfs/dbraw/zinc/54/89/99/608548999.db2.gz NVXTUHYIOQORGV-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CCCCC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825266852 608559125 /nfs/dbraw/zinc/55/91/25/608559125.db2.gz HVJKHBFGNRJWNY-CYBMUJFWSA-N -1 1 376.509 2.416 20 0 GEADMM CCCCC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825266852 608559127 /nfs/dbraw/zinc/55/91/27/608559127.db2.gz HVJKHBFGNRJWNY-CYBMUJFWSA-N -1 1 376.509 2.416 20 0 GEADMM Cc1cc(C)c(C=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826263409 608560732 /nfs/dbraw/zinc/56/07/32/608560732.db2.gz ZYVYRXVPVZDAIG-BQYQJAHWSA-N -1 1 394.483 2.202 20 0 GEADMM Cc1cc(C)c(C=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826263409 608560733 /nfs/dbraw/zinc/56/07/33/608560733.db2.gz ZYVYRXVPVZDAIG-BQYQJAHWSA-N -1 1 394.483 2.202 20 0 GEADMM COc1cc(Nc2nccnc2-c2nnn[n-]2)cc(OC)c1Br ZINC000826181374 608587940 /nfs/dbraw/zinc/58/79/40/608587940.db2.gz WOGVRTRJVTZCNX-UHFFFAOYSA-N -1 1 378.190 2.180 20 0 GEADMM COc1cc(Nc2nccnc2-c2nn[n-]n2)cc(OC)c1Br ZINC000826181374 608587941 /nfs/dbraw/zinc/58/79/41/608587941.db2.gz WOGVRTRJVTZCNX-UHFFFAOYSA-N -1 1 378.190 2.180 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc(Cl)c1F ZINC000825001234 608839291 /nfs/dbraw/zinc/83/92/91/608839291.db2.gz XTOOBSCVTMOBSB-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc(Cl)c1F ZINC000825001234 608839294 /nfs/dbraw/zinc/83/92/94/608839294.db2.gz XTOOBSCVTMOBSB-NSHDSACASA-N -1 1 388.838 2.160 20 0 GEADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)n1ccnc1-c1nnn[n-]1 ZINC000825560642 608887890 /nfs/dbraw/zinc/88/78/90/608887890.db2.gz URIGTCXJJCZWFO-SECBINFHSA-N -1 1 389.441 2.064 20 0 GEADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)n1ccnc1-c1nn[n-]n1 ZINC000825560642 608887892 /nfs/dbraw/zinc/88/78/92/608887892.db2.gz URIGTCXJJCZWFO-SECBINFHSA-N -1 1 389.441 2.064 20 0 GEADMM COc1ccc([C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(F)(F)F)cc1 ZINC000826189487 609158732 /nfs/dbraw/zinc/15/87/32/609158732.db2.gz WVQMPVOJVLBVRK-LLVKDONJSA-N -1 1 396.333 2.034 20 0 GEADMM COc1ccc([C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(F)(F)F)cc1 ZINC000826189487 609158734 /nfs/dbraw/zinc/15/87/34/609158734.db2.gz WVQMPVOJVLBVRK-LLVKDONJSA-N -1 1 396.333 2.034 20 0 GEADMM CCS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000825669498 609169978 /nfs/dbraw/zinc/16/99/78/609169978.db2.gz ZFNFZMVGYQMPNU-UHFFFAOYSA-N -1 1 378.845 2.321 20 0 GEADMM CCS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000825669498 609169981 /nfs/dbraw/zinc/16/99/81/609169981.db2.gz ZFNFZMVGYQMPNU-UHFFFAOYSA-N -1 1 378.845 2.321 20 0 GEADMM Cc1nc(SCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[n-]c(=O)c1C ZINC000826327781 609181056 /nfs/dbraw/zinc/18/10/56/609181056.db2.gz UQQDNLJBYZXNMA-UHFFFAOYSA-N -1 1 391.844 2.363 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1C1CCOCC1 ZINC000826494493 609182994 /nfs/dbraw/zinc/18/29/94/609182994.db2.gz DXKJOLBOHADQGR-CQSZACIVSA-N -1 1 397.888 2.100 20 0 GEADMM COc1ccc([C@@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)C(F)(F)F)cc1 ZINC000826189130 609266873 /nfs/dbraw/zinc/26/68/73/609266873.db2.gz ODCPNAAWOHBQAC-CQSZACIVSA-N -1 1 396.329 2.134 20 0 GEADMM COc1ccc([C@@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C(F)(F)F)cc1 ZINC000826189130 609266874 /nfs/dbraw/zinc/26/68/74/609266874.db2.gz ODCPNAAWOHBQAC-CQSZACIVSA-N -1 1 396.329 2.134 20 0 GEADMM Cc1cc(C)n(CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826264786 609287728 /nfs/dbraw/zinc/28/77/28/609287728.db2.gz ABQWZTZSQXLNGJ-UHFFFAOYSA-N -1 1 395.402 2.034 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccncc1Cl ZINC000826458685 609288405 /nfs/dbraw/zinc/28/84/05/609288405.db2.gz AVRCVHZVWWXSBW-UHFFFAOYSA-N -1 1 384.762 2.492 20 0 GEADMM O=C(CC[C@H]1CCCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826405887 609289393 /nfs/dbraw/zinc/28/93/93/609289393.db2.gz YBMKBDZOAYUOIH-GFCCVEGCSA-N -1 1 385.403 2.479 20 0 GEADMM O=C(C=Cc1cccnc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403351 609291265 /nfs/dbraw/zinc/29/12/65/609291265.db2.gz PTRUEDUJXVDRAJ-VOTSOKGWSA-N -1 1 376.355 2.238 20 0 GEADMM O[C@H](CN(Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826503093 609296810 /nfs/dbraw/zinc/29/68/10/609296810.db2.gz QIFZXHPOMXEDHI-OAHLLOKOSA-N -1 1 378.358 2.187 20 0 GEADMM CC(C)c1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n[nH]1 ZINC000824342658 609310919 /nfs/dbraw/zinc/31/09/19/609310919.db2.gz RQYKSQPIULZHDL-UHFFFAOYSA-N -1 1 381.375 2.290 20 0 GEADMM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCSC1 ZINC000825820547 609359347 /nfs/dbraw/zinc/35/93/47/609359347.db2.gz JWPZTQRQWMHLII-SNVBAGLBSA-N -1 1 388.432 2.161 20 0 GEADMM CC(C)(C)OCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824119887 609359683 /nfs/dbraw/zinc/35/96/83/609359683.db2.gz SCAFAFGWTWYBRV-UHFFFAOYSA-N -1 1 388.407 2.128 20 0 GEADMM Cc1ccc(CCNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826287097 609361258 /nfs/dbraw/zinc/36/12/58/609361258.db2.gz CJENCFQVBTZHJF-UHFFFAOYSA-N -1 1 396.386 2.457 20 0 GEADMM Cc1occc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826342293 609361317 /nfs/dbraw/zinc/36/13/17/609361317.db2.gz DYMVGZVOQJYWJA-UHFFFAOYSA-N -1 1 382.359 2.415 20 0 GEADMM Cc1n[nH]c(C)c1NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826322120 609361959 /nfs/dbraw/zinc/36/19/59/609361959.db2.gz ZNBQGSRQROPBGO-UHFFFAOYSA-N -1 1 382.363 2.175 20 0 GEADMM O=C(NCc1cccc(O)c1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826442970 609362667 /nfs/dbraw/zinc/36/26/67/609362667.db2.gz SYFVCNFDCHFRTL-UHFFFAOYSA-N -1 1 394.370 2.219 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000826357231 609382219 /nfs/dbraw/zinc/38/22/19/609382219.db2.gz WZICLAPITSPKDP-CQSZACIVSA-N -1 1 382.403 2.497 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000826357231 609382222 /nfs/dbraw/zinc/38/22/22/609382222.db2.gz WZICLAPITSPKDP-CQSZACIVSA-N -1 1 382.403 2.497 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cccc(CCCO)c1 ZINC000826232628 609395362 /nfs/dbraw/zinc/39/53/62/609395362.db2.gz ASXNWSOUEZSPKO-UHFFFAOYSA-N -1 1 396.451 2.080 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N[C@H](CO)C1CC1 ZINC000826442232 609451156 /nfs/dbraw/zinc/45/11/56/609451156.db2.gz NWHGEIQZWVZCGA-CQSZACIVSA-N -1 1 384.465 2.165 20 0 GEADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826180405 609472523 /nfs/dbraw/zinc/47/25/23/609472523.db2.gz GGVPKGLSPQRBMU-UHFFFAOYSA-N -1 1 386.412 2.485 20 0 GEADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826180405 609472525 /nfs/dbraw/zinc/47/25/25/609472525.db2.gz GGVPKGLSPQRBMU-UHFFFAOYSA-N -1 1 386.412 2.485 20 0 GEADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC1CCCC1 ZINC000826187369 609504714 /nfs/dbraw/zinc/50/47/14/609504714.db2.gz MYLWFKIXYQYEHP-UHFFFAOYSA-N -1 1 383.412 2.183 20 0 GEADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC1CCCC1 ZINC000826187369 609504715 /nfs/dbraw/zinc/50/47/15/609504715.db2.gz MYLWFKIXYQYEHP-UHFFFAOYSA-N -1 1 383.412 2.183 20 0 GEADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826261144 609525830 /nfs/dbraw/zinc/52/58/30/609525830.db2.gz SMFZOAQVKARQOT-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CCCCCN(CCCOC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825275891 609586922 /nfs/dbraw/zinc/58/69/22/609586922.db2.gz GMHICBRGVGQZJD-UHFFFAOYSA-N -1 1 385.465 2.223 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826231688 609600433 /nfs/dbraw/zinc/60/04/33/609600433.db2.gz VVOGGLJNJINZAT-PWSUYJOCSA-N -1 1 388.497 2.406 20 0 GEADMM C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000447496963 650007037 /nfs/dbraw/zinc/00/70/37/650007037.db2.gz HWBARYGGQYNBFJ-QMMMGPOBSA-N -1 1 379.335 2.057 20 0 GEADMM C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000447496963 650007040 /nfs/dbraw/zinc/00/70/40/650007040.db2.gz HWBARYGGQYNBFJ-QMMMGPOBSA-N -1 1 379.335 2.057 20 0 GEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1ccccc1Br ZINC000447340863 650005810 /nfs/dbraw/zinc/00/58/10/650005810.db2.gz MHZAZWLIKJLWJM-UHFFFAOYSA-N -1 1 377.241 2.493 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000448007499 650012753 /nfs/dbraw/zinc/01/27/53/650012753.db2.gz AIBJVODZFQVPKR-CYBMUJFWSA-N -1 1 381.527 2.167 20 0 GEADMM C[C@@H](CN(C)C(=O)c1cc2c(ccc(F)c2Br)[nH]1)c1nn[n-]n1 ZINC000450841792 650072144 /nfs/dbraw/zinc/07/21/44/650072144.db2.gz LIOKVYIDKTXNPW-ZETCQYMHSA-N -1 1 381.209 2.458 20 0 GEADMM CC(C)CCc1cc([N-]S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)n[nH]1 ZINC000451005771 650079381 /nfs/dbraw/zinc/07/93/81/650079381.db2.gz UAJJLGZVHFITGC-UHFFFAOYSA-N -1 1 385.511 2.344 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2nc(C)cs2)C(F)(F)F)cn1 ZINC000451062116 650083085 /nfs/dbraw/zinc/08/30/85/650083085.db2.gz CPVOBRBGKZGQOC-SNVBAGLBSA-N -1 1 395.384 2.215 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCCOC)c(F)c1 ZINC000451138003 650089517 /nfs/dbraw/zinc/08/95/17/650089517.db2.gz XJBJKKLELFFPHV-UHFFFAOYSA-N -1 1 396.506 2.072 20 0 GEADMM COc1cccc(N2C[C@@H]([N-]S(=O)(=O)c3sccc3Cl)CC2=O)c1 ZINC000451153383 650090876 /nfs/dbraw/zinc/09/08/76/650090876.db2.gz HBRNOAXXZDJSHQ-JTQLQIEISA-N -1 1 386.882 2.494 20 0 GEADMM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451450003 650115402 /nfs/dbraw/zinc/11/54/02/650115402.db2.gz CVHZPOCBJXCUKI-NSHDSACASA-N -1 1 393.914 2.247 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCSCC)c(F)c1 ZINC000451500120 650121258 /nfs/dbraw/zinc/12/12/58/650121258.db2.gz MSHYPOHWBIDCPR-UHFFFAOYSA-N -1 1 398.547 2.399 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CSC[C@@H]2C)c(F)c1 ZINC000451524167 650123066 /nfs/dbraw/zinc/12/30/66/650123066.db2.gz BQNMDVZMLTVIBQ-GXFFZTMASA-N -1 1 396.531 2.007 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCC1 ZINC000451807901 650144328 /nfs/dbraw/zinc/14/43/28/650144328.db2.gz BXDDYBDNRFYENQ-UHFFFAOYSA-N -1 1 378.491 2.302 20 0 GEADMM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000451951100 650157025 /nfs/dbraw/zinc/15/70/25/650157025.db2.gz CDMRYEDWFILGCG-LURJTMIESA-N -1 1 387.658 2.045 20 0 GEADMM Cc1nn(C)cc1CS(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000453024093 650203843 /nfs/dbraw/zinc/20/38/43/650203843.db2.gz KQNWQGDEBYGUTA-UHFFFAOYSA-N -1 1 381.845 2.053 20 0 GEADMM Cc1nn(C)cc1CS(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000453024093 650203845 /nfs/dbraw/zinc/20/38/45/650203845.db2.gz KQNWQGDEBYGUTA-UHFFFAOYSA-N -1 1 381.845 2.053 20 0 GEADMM CC(C)OC(=O)[C@H](C)NC(=O)c1cc(I)ccc1[O-] ZINC000456621523 650351889 /nfs/dbraw/zinc/35/18/89/650351889.db2.gz WFGMCBBVHFDSRI-QMMMGPOBSA-N -1 1 377.178 2.067 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(Br)cc3ccccc32)n1 ZINC000500591254 650381249 /nfs/dbraw/zinc/38/12/49/650381249.db2.gz LAZHHRCAGLOYCE-UHFFFAOYSA-N -1 1 395.238 2.376 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2cc(Br)cc3ccccc32)[n-]1 ZINC000500591254 650381251 /nfs/dbraw/zinc/38/12/51/650381251.db2.gz LAZHHRCAGLOYCE-UHFFFAOYSA-N -1 1 395.238 2.376 20 0 GEADMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)OC ZINC000500614371 650381480 /nfs/dbraw/zinc/38/14/80/650381480.db2.gz XQYSOUTUSZBBGA-PRHODGIISA-N -1 1 382.251 2.454 20 0 GEADMM CCn1cc(S(=O)(=O)Nc2ccc(C(=O)OC)c(Cl)c2)cc1C(=O)[O-] ZINC000504258853 650429138 /nfs/dbraw/zinc/42/91/38/650429138.db2.gz CERSMSTTYVMEMH-UHFFFAOYSA-N -1 1 386.813 2.447 20 0 GEADMM COc1cc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000460204177 650440029 /nfs/dbraw/zinc/44/00/29/650440029.db2.gz FWLQTEJJZICDDF-UHFFFAOYSA-N -1 1 384.841 2.356 20 0 GEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000460413719 650442263 /nfs/dbraw/zinc/44/22/63/650442263.db2.gz UXHGOWLPNLPZKA-UHFFFAOYSA-N -1 1 394.254 2.440 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2csc(-c3ccccc3F)n2)n1 ZINC000506892185 650451442 /nfs/dbraw/zinc/45/14/42/650451442.db2.gz FDLARDUQAZBZGY-UHFFFAOYSA-N -1 1 381.410 2.433 20 0 GEADMM CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)s1 ZINC000460952812 650448752 /nfs/dbraw/zinc/44/87/52/650448752.db2.gz PZFMROOJGJXYFX-SMDDNHRTSA-N -1 1 376.450 2.221 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(=O)(=O)C(C)C)cc2)cn1 ZINC000506670654 650449146 /nfs/dbraw/zinc/44/91/46/650449146.db2.gz UXBZMNOYSXDLIQ-UHFFFAOYSA-N -1 1 384.479 2.214 20 0 GEADMM C[C@@H]1Cc2cc(S(=O)(=O)N=c3ccnc4n(C)[n-]cc3-4)cc(Cl)c2O1 ZINC000461110048 650449312 /nfs/dbraw/zinc/44/93/12/650449312.db2.gz IWTJLEMAYRLRRH-SECBINFHSA-N -1 1 378.841 2.119 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3nc(C)sc3c2)c1 ZINC000461450025 650454148 /nfs/dbraw/zinc/45/41/48/650454148.db2.gz VDXJAEQUEQUXLM-UHFFFAOYSA-N -1 1 377.447 2.471 20 0 GEADMM CCC(CC)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)N1CCOCC1 ZINC000507573277 650463386 /nfs/dbraw/zinc/46/33/86/650463386.db2.gz ZGBKHCVCHBXEJK-OAHLLOKOSA-N -1 1 376.469 2.380 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)CCC1 ZINC000462099329 650467888 /nfs/dbraw/zinc/46/78/88/650467888.db2.gz DYLVXICCMDEQMD-CYBMUJFWSA-N -1 1 377.503 2.006 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(C)(CC)C2)c(OC)c1 ZINC000462146426 650471134 /nfs/dbraw/zinc/47/11/34/650471134.db2.gz NLIMSJKWKHFBFF-UHFFFAOYSA-N -1 1 390.527 2.268 20 0 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CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)CCOCC2CCCC2)[C@@H]1O ZINC000571654304 651846262 /nfs/dbraw/zinc/84/62/62/651846262.db2.gz UKUJYRHPAWJCHU-ZBFHGGJFSA-N -1 1 389.539 2.447 20 0 GEADMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c1C ZINC000571834810 651856597 /nfs/dbraw/zinc/85/65/97/651856597.db2.gz PCTCVZZHMJWLLF-UHFFFAOYSA-N -1 1 384.479 2.069 20 0 GEADMM CCOC(=O)c1nc(CNC(=O)CCc2ccc(Br)c(C)c2)n[n-]1 ZINC000615919354 651884392 /nfs/dbraw/zinc/88/43/92/651884392.db2.gz GCYPAVGVNQUBAK-UHFFFAOYSA-N -1 1 395.257 2.301 20 0 GEADMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2ccc(Br)c(C)c2)n1 ZINC000615919354 651884395 /nfs/dbraw/zinc/88/43/95/651884395.db2.gz GCYPAVGVNQUBAK-UHFFFAOYSA-N -1 1 395.257 2.301 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CC12CCSCC2 ZINC000572333181 651885772 /nfs/dbraw/zinc/88/57/72/651885772.db2.gz WWAFYAKGCSDDGU-ZDUSSCGKSA-N -1 1 382.507 2.305 20 0 GEADMM O=S(=O)([N-][C@H](CO)CCF)c1c(Cl)cc(F)cc1Br ZINC000651894808 651899166 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CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(CC(C)C)n[nH]3)cc2C1 ZINC000656726700 652051160 /nfs/dbraw/zinc/05/11/60/652051160.db2.gz ATPUPLBBHWBCKY-UHFFFAOYSA-N -1 1 382.511 2.375 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCOC1 ZINC000656730293 652052064 /nfs/dbraw/zinc/05/20/64/652052064.db2.gz GJRMSPPFLCYZEO-RNCFNFMXSA-N -1 1 375.397 2.294 20 0 GEADMM O=C([O-])c1sccc1S(=O)(=O)NCCCN1CCc2ccccc2C1 ZINC000574937147 652053126 /nfs/dbraw/zinc/05/31/26/652053126.db2.gz VXIKIEKBDVMLNH-UHFFFAOYSA-N -1 1 380.491 2.173 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)[C@H](O)Cc1ccccc1 ZINC000656938723 652068830 /nfs/dbraw/zinc/06/88/30/652068830.db2.gz ALBBGDJTJFEGPZ-BXUZGUMPSA-N -1 1 385.283 2.115 20 0 GEADMM CO[C@]1(C)CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000575375490 652070316 /nfs/dbraw/zinc/07/03/16/652070316.db2.gz XEBLXDJXGGLHIE-OAHLLOKOSA-N -1 1 395.308 2.299 20 0 GEADMM O=S(=O)([N-]C[C@@H](O)CCc1ccccc1)c1ncccc1Br ZINC000656960173 652074908 /nfs/dbraw/zinc/07/49/08/652074908.db2.gz ULSSCXKZFOZBCK-ZDUSSCGKSA-N -1 1 385.283 2.116 20 0 GEADMM O=S(=O)([N-][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ncccc1Br ZINC000657007442 652085293 /nfs/dbraw/zinc/08/52/93/652085293.db2.gz FFYCMVCBHFHJQO-BXUZGUMPSA-N -1 1 398.282 2.438 20 0 GEADMM O=S(=O)([N-][C@@H](CO)CC1CCCCC1)c1ncccc1Br ZINC000657015891 652087639 /nfs/dbraw/zinc/08/76/39/652087639.db2.gz YKXJKNKKRWQMON-GFCCVEGCSA-N -1 1 377.304 2.454 20 0 GEADMM O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1[O-] ZINC000620098078 652090483 /nfs/dbraw/zinc/09/04/83/652090483.db2.gz IEAWALFSTLISKU-LBPRGKRZSA-N -1 1 382.258 2.175 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)cc1F ZINC000620261567 652097013 /nfs/dbraw/zinc/09/70/13/652097013.db2.gz CORYPGVIXBGNBM-UHFFFAOYSA-N -1 1 388.442 2.315 20 0 GEADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(I)cc1F ZINC000576528786 652124862 /nfs/dbraw/zinc/12/48/62/652124862.db2.gz ISPULUZLWBOGTJ-VIFPVBQESA-N -1 1 385.198 2.351 20 0 GEADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CS1(=O)=O ZINC000657136940 652128203 /nfs/dbraw/zinc/12/82/03/652128203.db2.gz IBPNKXFFEGGYJK-IONNQARKSA-N -1 1 390.285 2.377 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)o1 ZINC000621046487 652129095 /nfs/dbraw/zinc/12/90/95/652129095.db2.gz ABRLENZEBCYCRU-UHFFFAOYSA-N -1 1 381.841 2.295 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)c(=O)[n-]1 ZINC000621134624 652131313 /nfs/dbraw/zinc/13/13/13/652131313.db2.gz VBOWXQHSHJOSBQ-XXFAHNHDSA-N -1 1 375.441 2.416 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1F ZINC000576760604 652143400 /nfs/dbraw/zinc/14/34/00/652143400.db2.gz NBIMQEIVLUAGHK-UHFFFAOYSA-N -1 1 385.438 2.355 20 0 GEADMM CC[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000657187996 652145972 /nfs/dbraw/zinc/14/59/72/652145972.db2.gz VZNIGDWSBAXGCN-VXGBXAGGSA-N -1 1 378.491 2.396 20 0 GEADMM O=C(COc1cccc(Br)c1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000747472121 652166358 /nfs/dbraw/zinc/16/63/58/652166358.db2.gz VPQKXPRLYJOJIQ-HNNXBMFYSA-N -1 1 388.225 2.247 20 0 GEADMM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748641191 652208386 /nfs/dbraw/zinc/20/83/86/652208386.db2.gz ZLUNVKFEXSAGHG-UHFFFAOYSA-N -1 1 384.454 2.153 20 0 GEADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3cccc(Br)c3)nc2n1 ZINC000622996094 652213099 /nfs/dbraw/zinc/21/30/99/652213099.db2.gz AWBAXOGWYYGJCO-UHFFFAOYSA-N -1 1 390.241 2.314 20 0 GEADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000577761023 652213582 /nfs/dbraw/zinc/21/35/82/652213582.db2.gz ZUWBMWROZNMNMW-INIZCTEOSA-N -1 1 386.901 2.356 20 0 GEADMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)ccc21 ZINC000577945547 652230556 /nfs/dbraw/zinc/23/05/56/652230556.db2.gz HSORBJBPZRBBAK-UHFFFAOYSA-N -1 1 376.316 2.157 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1F ZINC000749145670 652237210 /nfs/dbraw/zinc/23/72/10/652237210.db2.gz MHBCDQQIUWJWIA-UHFFFAOYSA-N -1 1 381.307 2.392 20 0 GEADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(Cl)nc2)nc1C ZINC000750171781 652285515 /nfs/dbraw/zinc/28/55/15/652285515.db2.gz IFRNKQAWMVMFHG-UHFFFAOYSA-N -1 1 375.859 2.155 20 0 GEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)CC1(C)COC1)c1ccc(Cl)c(Cl)c1 ZINC000578820488 652296139 /nfs/dbraw/zinc/29/61/39/652296139.db2.gz PARHRCJREPQNMK-HNNXBMFYSA-N -1 1 396.292 2.338 20 0 GEADMM COC(=O)[C@H](Cc1ccccc1)[C@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000579334998 652331846 /nfs/dbraw/zinc/33/18/46/652331846.db2.gz KQPJLILFOIKMSS-SWLSCSKDSA-N -1 1 382.507 2.459 20 0 GEADMM CC(C)OCCS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751289553 652339113 /nfs/dbraw/zinc/33/91/13/652339113.db2.gz AOWYSDBXMXMKAF-ZDUSSCGKSA-N -1 1 389.823 2.434 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc(Cl)cc(Cl)c2)o1 ZINC000751419408 652346728 /nfs/dbraw/zinc/34/67/28/652346728.db2.gz IGSSTXNSZYZJNT-LLVKDONJSA-N -1 1 394.232 2.385 20 0 GEADMM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000751421677 652347245 /nfs/dbraw/zinc/34/72/45/652347245.db2.gz CIWMTJQKYMVVMH-SNVBAGLBSA-N -1 1 377.249 2.409 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000751442841 652351257 /nfs/dbraw/zinc/35/12/57/652351257.db2.gz YJEGLHCYTZJQDA-LLVKDONJSA-N -1 1 391.804 2.261 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@](C)(O)c2cc(C)oc2C)c(F)c1 ZINC000751451849 652352641 /nfs/dbraw/zinc/35/26/41/652352641.db2.gz XCSBZKXIKRKYPG-INIZCTEOSA-N -1 1 375.393 2.369 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H](O)c1c(F)cccc1Cl ZINC000751475433 652355207 /nfs/dbraw/zinc/35/52/07/652355207.db2.gz MRYMESYKRRGRPV-RDDDGLTNSA-N -1 1 382.244 2.266 20 0 GEADMM O=C(OCc1ccccc1)N1CCC[C@@H](CS(=O)(=O)[N-]CC(F)F)C1 ZINC000751972699 652373813 /nfs/dbraw/zinc/37/38/13/652373813.db2.gz NSDUQXBHYAJUTB-CQSZACIVSA-N -1 1 376.425 2.220 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C)CC2)c(F)cc1Br ZINC000751978566 652374653 /nfs/dbraw/zinc/37/46/53/652374653.db2.gz MJOFCCCPVMDCRW-UHFFFAOYSA-N -1 1 380.235 2.453 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C3CCC3)C2)c(F)c1 ZINC000660060367 652381155 /nfs/dbraw/zinc/38/11/55/652381155.db2.gz ZDNFRFMJURURLO-ZDUSSCGKSA-N -1 1 390.502 2.398 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 ZINC000626382440 652390517 /nfs/dbraw/zinc/39/05/17/652390517.db2.gz AJQXMNHIEDCRRZ-SNVBAGLBSA-N -1 1 393.241 2.188 20 0 GEADMM CCOC(=O)c1nnc([N-]C(=O)c2cnn(-c3ccc(Cl)cc3)n2)s1 ZINC000752815533 652393912 /nfs/dbraw/zinc/39/39/12/652393912.db2.gz YYZLNRXZYBQLCT-UHFFFAOYSA-N -1 1 378.801 2.201 20 0 GEADMM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1ccc[nH]c1=O ZINC000582021765 652432381 /nfs/dbraw/zinc/43/23/81/652432381.db2.gz BYRQAWBSVNBMBH-UHFFFAOYSA-N -1 1 377.191 2.498 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CNC(=O)OC(C)(C)C)c(F)c1 ZINC000755167737 652459282 /nfs/dbraw/zinc/45/92/82/652459282.db2.gz TZRYMSVPFRZEQL-VIFPVBQESA-N -1 1 380.413 2.165 20 0 GEADMM CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(I)c1[O-] ZINC000755389471 652464012 /nfs/dbraw/zinc/46/40/12/652464012.db2.gz QRTZMYWEPXXAEI-CYBMUJFWSA-N -1 1 388.249 2.409 20 0 GEADMM O=C(c1ccc(Br)c2c1OCCC2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000582881551 652464945 /nfs/dbraw/zinc/46/49/45/652464945.db2.gz PZUCGBLETPBENV-JTQLQIEISA-N -1 1 392.257 2.307 20 0 GEADMM CO[C@@H](C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccccc1Br ZINC000630219534 652505011 /nfs/dbraw/zinc/50/50/11/652505011.db2.gz IYJBRKYAFWRUJM-BLLLJJGKSA-N -1 1 399.285 2.144 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2cccc(I)c2)n1 ZINC000585682394 652533497 /nfs/dbraw/zinc/53/34/97/652533497.db2.gz LKKWXKXQTNBHAD-UHFFFAOYSA-N -1 1 399.188 2.372 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN(C)C1 ZINC000586758358 652539856 /nfs/dbraw/zinc/53/98/56/652539856.db2.gz HRVBIWZKFBNXRI-SNVBAGLBSA-N -1 1 381.281 2.153 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@](C)(O)c2ccc(F)cc2)c(F)c1 ZINC000758442916 652541991 /nfs/dbraw/zinc/54/19/91/652541991.db2.gz MDMJYLLWOHFYMC-MRXNPFEDSA-N -1 1 375.368 2.299 20 0 GEADMM O=C([O-])[C@]12COC[C@H]1CN(Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC000665345485 652550424 /nfs/dbraw/zinc/55/04/24/652550424.db2.gz RVMOKHJUONSFAW-QLJPJBMISA-N -1 1 383.235 2.107 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1 ZINC000588833892 652556360 /nfs/dbraw/zinc/55/63/60/652556360.db2.gz WFILNUOQYWCKJS-LBPRGKRZSA-N -1 1 384.479 2.103 20 0 GEADMM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc(Br)o2)c(C)o1 ZINC000759040940 652560871 /nfs/dbraw/zinc/56/08/71/652560871.db2.gz NSXMIYFTQJAWHE-ZDUSSCGKSA-N -1 1 378.244 2.438 20 0 GEADMM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccncc2)C1)c1c[nH]nc1C(F)(F)F ZINC000632414706 652561741 /nfs/dbraw/zinc/56/17/41/652561741.db2.gz HJQMSMWQCWTBJF-MNOVXSKESA-N -1 1 376.360 2.022 20 0 GEADMM O=S(=O)([N-][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(C(F)F)o1 ZINC000632568565 652567072 /nfs/dbraw/zinc/56/70/72/652567072.db2.gz JTXFLQOZJVFUKK-CHWSQXEVSA-N -1 1 376.425 2.139 20 0 GEADMM COCCC1(C)CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000589529772 652567982 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O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(Cl)nc1 ZINC000021899043 531590031 /nfs/dbraw/zinc/59/00/31/531590031.db2.gz NZYLITOXRZDRQK-UHFFFAOYSA-N -1 1 381.841 2.477 20 0 GEADMM CCc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)n[n-]1 ZINC000153109270 531590590 /nfs/dbraw/zinc/59/05/90/531590590.db2.gz DIUQEGPBLFLJCW-MRVPVSSYSA-N -1 1 376.360 2.187 20 0 GEADMM NC(=O)C1([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCCCC1 ZINC000154935494 531643407 /nfs/dbraw/zinc/64/34/07/531643407.db2.gz MDMRCTRZPWGVOG-UHFFFAOYSA-N -1 1 397.241 2.194 20 0 GEADMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000032590940 531653765 /nfs/dbraw/zinc/65/37/65/531653765.db2.gz OMGFDLYMADQSDK-UHFFFAOYSA-N -1 1 386.813 2.236 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000156110431 531715909 /nfs/dbraw/zinc/71/59/09/531715909.db2.gz KPKUBYCFJLAJIH-UHFFFAOYSA-N -1 1 391.147 2.421 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(Br)cs2)o1 ZINC000053482006 531763831 /nfs/dbraw/zinc/76/38/31/531763831.db2.gz 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386.470 2.255 20 0 GEADMM Cc1cc(C(=O)Nc2ccc(F)c(Br)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000173434538 532011851 /nfs/dbraw/zinc/01/18/51/532011851.db2.gz AKMSWKHZVILCKY-UHFFFAOYSA-N -1 1 393.172 2.486 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)co1 ZINC000121446341 532031017 /nfs/dbraw/zinc/03/10/17/532031017.db2.gz YHNZNWGRUDZTSJ-CQSZACIVSA-N -1 1 384.841 2.055 20 0 GEADMM O=S(=O)([N-]Cc1ccccc1OCCO)c1sccc1Br ZINC000121640105 532039763 /nfs/dbraw/zinc/03/97/63/532039763.db2.gz KUBFBEWUTHTYOI-UHFFFAOYSA-N -1 1 392.296 2.360 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2c(Cl)cccc2Cl)co1 ZINC000122178308 532059795 /nfs/dbraw/zinc/05/97/95/532059795.db2.gz GJXRSKBJHXHICA-UHFFFAOYSA-N -1 1 377.249 2.467 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c(OC)c2)o1 ZINC000174604385 532070640 /nfs/dbraw/zinc/07/06/40/532070640.db2.gz HJDVTYKEULDQPL-UHFFFAOYSA-N -1 1 389.227 2.211 20 0 GEADMM O=C(NCCCc1nc(=O)[n-][nH]1)C1(c2ccc(Br)cc2)CCC1 ZINC000174577830 532071032 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O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537121879 532704242 /nfs/dbraw/zinc/70/42/42/532704242.db2.gz QYYRXHOFFLJYQJ-SECBINFHSA-N -1 1 380.239 2.103 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)[C@H](C)CC ZINC000489564170 532708250 /nfs/dbraw/zinc/70/82/50/532708250.db2.gz RNPGKCPTCBGEEK-KGLIPLIRSA-N -1 1 377.503 2.007 20 0 GEADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)nc2n1 ZINC000643909110 532710695 /nfs/dbraw/zinc/71/06/95/532710695.db2.gz FPSBEWVMWCPJRL-MRVPVSSYSA-N -1 1 382.207 2.439 20 0 GEADMM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000573792489 532711526 /nfs/dbraw/zinc/71/15/26/532711526.db2.gz CEZCIADABWKIOQ-STQMWFEESA-N -1 1 375.443 2.206 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2F)c(C)o1 ZINC000538448463 532711593 /nfs/dbraw/zinc/71/15/93/532711593.db2.gz OVQVCCNNOWMRLL-UHFFFAOYSA-N -1 1 388.442 2.376 20 0 GEADMM O=C(N[C@H](CO)C1CCCC1)c1cc(I)ccc1[O-] ZINC000395139681 532711856 /nfs/dbraw/zinc/71/18/56/532711856.db2.gz UDSCFNXLKLQSOJ-GFCCVEGCSA-N -1 1 375.206 2.278 20 0 GEADMM C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000408235254 532712683 /nfs/dbraw/zinc/71/26/83/532712683.db2.gz IBXONWVERCWVNZ-NEPJUHHUSA-N -1 1 378.491 2.396 20 0 GEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)n1 ZINC000500673297 532732666 /nfs/dbraw/zinc/73/26/66/532732666.db2.gz YFFVGBGHYUQZIY-QMMMGPOBSA-N -1 1 389.275 2.246 20 0 GEADMM CCc1nncn1CCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000576199380 532726647 /nfs/dbraw/zinc/72/66/47/532726647.db2.gz YZFOHPCBQKKSAV-UHFFFAOYSA-N -1 1 390.241 2.287 20 0 GEADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cnc(CC)s2)nc1C ZINC000613115705 532726701 /nfs/dbraw/zinc/72/67/01/532726701.db2.gz VQPLGTLWAVRKBX-UHFFFAOYSA-N -1 1 375.497 2.126 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](CN2CCCC2=O)c2ccccc2)sc1C ZINC000676413264 532743202 /nfs/dbraw/zinc/74/32/02/532743202.db2.gz BEGRJMUBZBYAQZ-HNNXBMFYSA-N -1 1 379.507 2.402 20 0 GEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OCCS(C)(=O)=O)c2)c1 ZINC000267514503 532743506 /nfs/dbraw/zinc/74/35/06/532743506.db2.gz SRTUVGNUCPELOP-UHFFFAOYSA-N -1 1 383.491 2.473 20 0 GEADMM CC(C)(C)OCc1cc(C(=O)[N-]c2nc3cc(Br)ccn3n2)no1 ZINC000411042280 532745957 /nfs/dbraw/zinc/74/59/57/532745957.db2.gz FAHDJUFJSAWMSQ-UHFFFAOYSA-N -1 1 394.229 3.047 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(=O)CC)c(F)cc1Br ZINC000286450642 532747567 /nfs/dbraw/zinc/74/75/67/532747567.db2.gz OBLPVCSKJKNMRO-UHFFFAOYSA-N -1 1 396.234 2.022 20 0 GEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)C[C@@H](C)OC)c1ccc(Cl)c(Cl)c1 ZINC000443210738 532741494 /nfs/dbraw/zinc/74/14/94/532741494.db2.gz BTXPZGULZBTJBS-OTYXRUKQSA-N -1 1 384.281 2.336 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@@H]2C)c(F)c1 ZINC000451220114 532762323 /nfs/dbraw/zinc/76/23/23/532762323.db2.gz QRNLXTKQCWXWFM-NSHDSACASA-N -1 1 396.531 2.103 20 0 GEADMM Cc1cnn(C)c1S(=O)(=O)Nc1c(C)ccc(Br)c1C(=O)[O-] ZINC000504535797 532748421 /nfs/dbraw/zinc/74/84/21/532748421.db2.gz GVWDBLVBEGIOPM-UHFFFAOYSA-N -1 1 388.243 2.298 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@](C)(F)C2)c(F)c1 ZINC000451600603 532765113 /nfs/dbraw/zinc/76/51/13/532765113.db2.gz RMRRKAJSKSSECT-OAHLLOKOSA-N -1 1 396.481 2.490 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cn1 ZINC000509393173 532768222 /nfs/dbraw/zinc/76/82/22/532768222.db2.gz WTXHFNMWPPQHEF-UHFFFAOYSA-N -1 1 396.368 2.026 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CC(C)(F)C2)c(F)c1 ZINC000451634430 532769241 /nfs/dbraw/zinc/76/92/41/532769241.db2.gz RHLQCSHXAXTDBJ-UHFFFAOYSA-N -1 1 382.454 2.146 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](CO)CC(C)C ZINC000509427856 532769964 /nfs/dbraw/zinc/76/99/64/532769964.db2.gz ASIGUGJBTONZPE-SNVBAGLBSA-N -1 1 384.281 2.465 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@](C)(O)C(C)C ZINC000509440138 532770624 /nfs/dbraw/zinc/77/06/24/532770624.db2.gz XAYOSYGXOLEHFD-AWEZNQCLSA-N -1 1 384.281 2.465 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C1CC1 ZINC000510035077 532772017 /nfs/dbraw/zinc/77/20/17/532772017.db2.gz LQBWWRSACSFPSF-GFCCVEGCSA-N -1 1 382.265 2.483 20 0 GEADMM CCN(C(=O)CNC(=O)c1ncccc1[O-])c1cccc(Br)c1 ZINC000510008747 532772486 /nfs/dbraw/zinc/77/24/86/532772486.db2.gz XXRMJQGNXMNDDZ-UHFFFAOYSA-N -1 1 378.226 2.333 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)c1 ZINC000513798560 532779807 /nfs/dbraw/zinc/77/98/07/532779807.db2.gz BFYOYWLNNYRKNV-UHFFFAOYSA-N -1 1 379.312 2.443 20 0 GEADMM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1cccc(Br)c1F ZINC000544348540 532782085 /nfs/dbraw/zinc/78/20/85/532782085.db2.gz NLZCBWPZPIVMGI-LURJTMIESA-N -1 1 380.157 2.180 20 0 GEADMM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)c1ccc(Br)o1 ZINC000544720989 532782777 /nfs/dbraw/zinc/78/27/77/532782777.db2.gz XKMGSPHMNOETDH-VIFPVBQESA-N -1 1 382.182 2.332 20 0 GEADMM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(Br)o1 ZINC000544720054 532783025 /nfs/dbraw/zinc/78/30/25/532783025.db2.gz IXTWPVGJQRCHNR-LLVKDONJSA-N -1 1 392.246 2.311 20 0 GEADMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(CCOC)c2)c1 ZINC000269609754 532784356 /nfs/dbraw/zinc/78/43/56/532784356.db2.gz JWUCVPFVCQWFKH-UHFFFAOYSA-N -1 1 386.861 2.332 20 0 GEADMM COc1ccc(NC(=O)C[C@@H]2CSCCS2)cc1[N-]S(C)(=O)=O ZINC000269680285 532785713 /nfs/dbraw/zinc/78/57/13/532785713.db2.gz FFQLQTMREZLRIR-LLVKDONJSA-N -1 1 376.525 2.244 20 0 GEADMM C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1C(=O)[O-] ZINC000319020939 532785858 /nfs/dbraw/zinc/78/58/58/532785858.db2.gz DMBUYHXQNBZWEE-BXUZGUMPSA-N -1 1 390.299 2.408 20 0 GEADMM COc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1C(=O)[O-] ZINC000319928693 532786625 /nfs/dbraw/zinc/78/66/25/532786625.db2.gz HMKQZZDERPFCLP-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM O=C(Nc1nc2n(n1)CCCC2)c1ccc(I)c([O-])c1 ZINC000457129548 532787178 /nfs/dbraw/zinc/78/71/78/532787178.db2.gz WFIBXGHSTUTMAU-UHFFFAOYSA-N -1 1 384.177 2.177 20 0 GEADMM O=S(=O)([N-]Cc1cccc(N2CCOCC2)n1)c1c(F)cccc1Cl ZINC000548478304 532791085 /nfs/dbraw/zinc/79/10/85/532791085.db2.gz BPUSQNHKBDSGJA-UHFFFAOYSA-N -1 1 385.848 2.189 20 0 GEADMM C[C@H]1CN(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000548693475 532793334 /nfs/dbraw/zinc/79/33/34/532793334.db2.gz NEYIVXOKWQKEIQ-JTQLQIEISA-N -1 1 386.823 2.358 20 0 GEADMM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc(I)ccc1[O-] ZINC000328061994 532793713 /nfs/dbraw/zinc/79/37/13/532793713.db2.gz BPQBMTAFLQFEBW-OTYXRUKQSA-N -1 1 375.206 2.278 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(Br)n1C ZINC000287672837 532805700 /nfs/dbraw/zinc/80/57/00/532805700.db2.gz DKIDLMHVAMVECZ-MJBXVCDLSA-N -1 1 396.310 2.355 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c(C(F)(F)F)n1 ZINC000328792586 532798120 /nfs/dbraw/zinc/79/81/20/532798120.db2.gz ZURAGUYSPBCVNS-SNVBAGLBSA-N -1 1 399.460 2.162 20 0 GEADMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc(F)cc3Br)ccnc1-2 ZINC000550795603 532798900 /nfs/dbraw/zinc/79/89/00/532798900.db2.gz UNCZHYFPYYFMID-UHFFFAOYSA-N -1 1 385.218 2.044 20 0 GEADMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CN1C1CCCCC1 ZINC000330135266 532814634 /nfs/dbraw/zinc/81/46/34/532814634.db2.gz HDWDUZLEILTIGQ-JTQLQIEISA-N -1 1 376.400 2.316 20 0 GEADMM COC(C)(C)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)NC(C)(C)C)c1C ZINC000414376357 532823210 /nfs/dbraw/zinc/82/32/10/532823210.db2.gz UBUYKYKNFHDZTA-UHFFFAOYSA-N -1 1 392.543 2.239 20 0 GEADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(C)(=O)=O)c2)cc1 ZINC000414401759 532825189 /nfs/dbraw/zinc/82/51/89/532825189.db2.gz WQAAOXMCVPTPCD-UHFFFAOYSA-N -1 1 385.463 2.046 20 0 GEADMM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2)ccc1Cl ZINC000414440463 532826900 /nfs/dbraw/zinc/82/69/00/532826900.db2.gz MJECDWHMDBELAK-UHFFFAOYSA-N -1 1 383.857 2.381 20 0 GEADMM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)nc2)c1 ZINC000414440112 532827067 /nfs/dbraw/zinc/82/70/67/532827067.db2.gz MAZNTLJWNBDKBR-UHFFFAOYSA-N -1 1 382.873 2.270 20 0 GEADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000288422400 532827259 /nfs/dbraw/zinc/82/72/59/532827259.db2.gz SALXGSDZSGPBKO-UHFFFAOYSA-N -1 1 387.845 2.009 20 0 GEADMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2n[nH]c(C)c2Br)c1 ZINC000414473872 532830644 /nfs/dbraw/zinc/83/06/44/532830644.db2.gz WMUZTADWTOCRBG-UHFFFAOYSA-N -1 1 390.259 2.436 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(N(C)C)nc2)no1 ZINC000273701881 532831741 /nfs/dbraw/zinc/83/17/41/532831741.db2.gz GRQVUFHQNTVRKM-JTQLQIEISA-N -1 1 379.467 2.299 20 0 GEADMM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000414652154 532834370 /nfs/dbraw/zinc/83/43/70/532834370.db2.gz GZTSASSKDCAEPN-ZIAGYGMSSA-N -1 1 387.249 2.388 20 0 GEADMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(Cc2csc(C(C)C)n2)no1 ZINC000273838956 532835722 /nfs/dbraw/zinc/83/57/22/532835722.db2.gz KXWYMURAAXVGPB-UHFFFAOYSA-N -1 1 388.515 2.085 20 0 GEADMM CCOc1cc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000273998351 532839422 /nfs/dbraw/zinc/83/94/22/532839422.db2.gz ZIHSIXWBFXFPGM-GFCCVEGCSA-N -1 1 379.887 2.004 20 0 GEADMM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000274158138 532842411 /nfs/dbraw/zinc/84/24/11/532842411.db2.gz MBUDTCIHUQTHLS-GFCCVEGCSA-N -1 1 382.463 2.294 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000415635812 532851987 /nfs/dbraw/zinc/85/19/87/532851987.db2.gz DNJMFIKFSKGRMD-SNVBAGLBSA-N -1 1 380.198 2.464 20 0 GEADMM Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2nc(=O)[n-][nH]2)c(Br)c1 ZINC000289359015 532852573 /nfs/dbraw/zinc/85/25/73/532852573.db2.gz NXOOWONNCHRGRE-CYBMUJFWSA-N -1 1 394.273 2.335 20 0 GEADMM CN(CC(=O)NC1CC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000289416289 532853826 /nfs/dbraw/zinc/85/38/26/532853826.db2.gz VQFODYYMQZTUGI-UHFFFAOYSA-N -1 1 378.226 2.054 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)s1 ZINC000289419873 532853996 /nfs/dbraw/zinc/85/39/96/532853996.db2.gz BZPIBPAGPJWMAO-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)s1 ZINC000289496604 532856859 /nfs/dbraw/zinc/85/68/59/532856859.db2.gz KKFGTSFUFPUVNX-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)no1 ZINC000289547300 532858279 /nfs/dbraw/zinc/85/82/79/532858279.db2.gz MWOFYUUAEQUTSC-MRVPVSSYSA-N -1 1 380.348 2.059 20 0 GEADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000274947545 532859997 /nfs/dbraw/zinc/85/99/97/532859997.db2.gz HMIQNHLBQFECLJ-QMMMGPOBSA-N -1 1 387.310 2.272 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)s1 ZINC000289721001 532863966 /nfs/dbraw/zinc/86/39/66/532863966.db2.gz ZECVYWYUWAAHPN-UHFFFAOYSA-N -1 1 377.875 2.250 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000416135732 532864959 /nfs/dbraw/zinc/86/49/59/532864959.db2.gz PTHJRUNOHYFGSI-UHFFFAOYSA-N -1 1 382.214 2.324 20 0 GEADMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416213519 532867314 /nfs/dbraw/zinc/86/73/14/532867314.db2.gz HMBVZFLHWVVESO-JTQLQIEISA-N -1 1 389.265 2.211 20 0 GEADMM O=S(=O)([N-][C@H]1CCCS(=O)(=O)C1)c1sc2ccccc2c1Cl ZINC000333453259 532868701 /nfs/dbraw/zinc/86/87/01/532868701.db2.gz SFDDYDCSGYLGBD-VIFPVBQESA-N -1 1 379.912 2.410 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCC2(C)C)n1 ZINC000349556631 532882990 /nfs/dbraw/zinc/88/29/90/532882990.db2.gz WZNVKFQEVQNIBV-CQSZACIVSA-N -1 1 389.543 2.020 20 0 GEADMM C[C@@H]1CC[C@H](N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349598773 532883577 /nfs/dbraw/zinc/88/35/77/532883577.db2.gz IBBNKKYRGAVDFU-CABCVRRESA-N -1 1 389.543 2.054 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2nccs2)c2ccccc2)o1 ZINC000360229335 532889682 /nfs/dbraw/zinc/88/96/82/532889682.db2.gz HOASLGONXGSGQU-AWEZNQCLSA-N -1 1 377.447 2.164 20 0 GEADMM O=S(=O)(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000360229957 532889696 /nfs/dbraw/zinc/88/96/96/532889696.db2.gz LIXIUUMZZHQLTK-IUODEOHRSA-N -1 1 376.881 2.258 20 0 GEADMM CC[C@@H](CS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)OC ZINC000421139198 532888066 /nfs/dbraw/zinc/88/80/66/532888066.db2.gz JXWTVUCUCSRFRF-HNNXBMFYSA-N -1 1 390.527 2.028 20 0 GEADMM O=C(CSCc1ccncc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291019177 532894769 /nfs/dbraw/zinc/89/47/69/532894769.db2.gz DHFWUADAOWRCOI-CYBMUJFWSA-N -1 1 375.416 2.232 20 0 GEADMM CCOC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br)C(C)C ZINC000276692305 532899691 /nfs/dbraw/zinc/89/96/91/532899691.db2.gz MYWMXDUXKCCOQM-VIFPVBQESA-N -1 1 398.275 2.168 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)c1 ZINC000291929381 532910880 /nfs/dbraw/zinc/91/08/80/532910880.db2.gz WJKYCYDTRVQDGI-UHFFFAOYSA-N -1 1 380.491 2.226 20 0 GEADMM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000292691558 532917660 /nfs/dbraw/zinc/91/76/60/532917660.db2.gz ANSOJACSPIYZGZ-NSHDSACASA-N -1 1 377.388 2.493 20 0 GEADMM O=c1nc([C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)[nH][n-]1 ZINC000293059109 532921575 /nfs/dbraw/zinc/92/15/75/532921575.db2.gz KYHWAWZNDBROFG-SNVBAGLBSA-N -1 1 391.280 2.114 20 0 GEADMM Cc1nccnc1N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000367232206 532923777 /nfs/dbraw/zinc/92/37/77/532923777.db2.gz UEVZGDFDPXOJTD-UHFFFAOYSA-N -1 1 377.242 2.216 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c(Br)n1C ZINC000367442415 532924957 /nfs/dbraw/zinc/92/49/57/532924957.db2.gz GXYVTMKPPFHXGY-UHFFFAOYSA-N -1 1 397.258 2.077 20 0 GEADMM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-]c1cccc(Br)n1 ZINC000367838065 532927727 /nfs/dbraw/zinc/92/77/27/532927727.db2.gz YNAGCMNQPMYCLW-GFCCVEGCSA-N -1 1 390.303 2.377 20 0 GEADMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293531077 532928388 /nfs/dbraw/zinc/92/83/88/532928388.db2.gz PNIWIOANNCEGFX-PWSUYJOCSA-N -1 1 377.388 2.229 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)c2ccc(Cl)c(F)c2)no1 ZINC000368942706 532935641 /nfs/dbraw/zinc/93/56/41/532935641.db2.gz YYEKUYSACIGKGU-GFWSLJDESA-N -1 1 389.836 2.357 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)[n-]1 ZINC000294222460 532937159 /nfs/dbraw/zinc/93/71/59/532937159.db2.gz KTGNQCBUKVUYHX-UHFFFAOYSA-N -1 1 381.479 2.187 20 0 GEADMM COCCN1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000294365621 532938512 /nfs/dbraw/zinc/93/85/12/532938512.db2.gz BXAIPLGFNZVSJZ-UHFFFAOYSA-N -1 1 375.238 2.088 20 0 GEADMM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370862742 532945844 /nfs/dbraw/zinc/94/58/44/532945844.db2.gz RSWOXKUZODBZLU-VIFPVBQESA-N -1 1 396.885 2.181 20 0 GEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 ZINC000013930222 221293176 /nfs/dbraw/zinc/29/31/76/221293176.db2.gz NUICFBYWNXEVGV-UHFFFAOYSA-N -1 1 392.506 2.102 20 0 GEADMM CC(C)c1cnc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000735933091 598831639 /nfs/dbraw/zinc/83/16/39/598831639.db2.gz UIIQQRXUGLCMTD-UHFFFAOYSA-N -1 1 384.444 2.166 20 0 GEADMM CN1CC[C@H](C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000736848806 598833785 /nfs/dbraw/zinc/83/37/85/598833785.db2.gz NOECBARHGIJJPZ-AWEZNQCLSA-N -1 1 396.476 2.080 20 0 GEADMM CCOC[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736608026 598864538 /nfs/dbraw/zinc/86/45/38/598864538.db2.gz GJKIXEQZHOVOGA-AWEZNQCLSA-N -1 1 384.440 2.448 20 0 GEADMM CCOC[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736608026 598864539 /nfs/dbraw/zinc/86/45/39/598864539.db2.gz GJKIXEQZHOVOGA-AWEZNQCLSA-N -1 1 384.440 2.448 20 0 GEADMM CC(C)OC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735895056 598873528 /nfs/dbraw/zinc/87/35/28/598873528.db2.gz NTEVVBHQTSUHTI-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM CC(C)OC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735895056 598873529 /nfs/dbraw/zinc/87/35/29/598873529.db2.gz NTEVVBHQTSUHTI-UHFFFAOYSA-N -1 1 385.877 2.098 20 0 GEADMM CCCO[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736489480 598874232 /nfs/dbraw/zinc/87/42/32/598874232.db2.gz VFVWDWJCOWRPRN-LBPRGKRZSA-N -1 1 399.904 2.490 20 0 GEADMM CCCO[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736489480 598874233 /nfs/dbraw/zinc/87/42/33/598874233.db2.gz VFVWDWJCOWRPRN-LBPRGKRZSA-N -1 1 399.904 2.490 20 0 GEADMM Cn1nccc1CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737626375 598889204 /nfs/dbraw/zinc/88/92/04/598889204.db2.gz BDWBMIDIJATAJS-UHFFFAOYSA-N -1 1 394.464 2.328 20 0 GEADMM CC1(CNC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)COC1 ZINC000736216127 598890493 /nfs/dbraw/zinc/89/04/93/598890493.db2.gz FLVPJNDEIAOIJQ-UHFFFAOYSA-N -1 1 384.465 2.431 20 0 GEADMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc2)n[nH]1 ZINC000737454060 598932266 /nfs/dbraw/zinc/93/22/66/598932266.db2.gz WPTDTVSWDTUJKR-UHFFFAOYSA-N -1 1 396.436 2.069 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)c3snc(Cl)c3-c3nnn[n-]3)C2)nn1 ZINC000737350363 598941321 /nfs/dbraw/zinc/94/13/21/598941321.db2.gz FRMUPWBSGOSNKQ-SNVBAGLBSA-N -1 1 391.892 2.180 20 0 GEADMM Cc1ccc(N2CCC[C@@H](N(C)c3snc(Cl)c3-c3nn[n-]n3)C2)nn1 ZINC000737350363 598941323 /nfs/dbraw/zinc/94/13/23/598941323.db2.gz FRMUPWBSGOSNKQ-SNVBAGLBSA-N -1 1 391.892 2.180 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C(C)C)C1CCC1 ZINC000737488848 598941962 /nfs/dbraw/zinc/94/19/62/598941962.db2.gz YLNUEGPCGBSTNP-UHFFFAOYSA-N -1 1 382.472 2.248 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C(C)C)C1CCC1 ZINC000737488848 598941964 /nfs/dbraw/zinc/94/19/64/598941964.db2.gz YLNUEGPCGBSTNP-UHFFFAOYSA-N -1 1 382.472 2.248 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000737225836 598947893 /nfs/dbraw/zinc/94/78/93/598947893.db2.gz UIVPINBVZTVSDH-UHFFFAOYSA-N -1 1 398.448 2.103 20 0 GEADMM CN(C[C@@H]1COc2ccccc2O1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736793656 598954433 /nfs/dbraw/zinc/95/44/33/598954433.db2.gz YHRZLFMMYUQODL-GFCCVEGCSA-N -1 1 375.392 2.086 20 0 GEADMM CN(C[C@@H]1COc2ccccc2O1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736793656 598954434 /nfs/dbraw/zinc/95/44/34/598954434.db2.gz YHRZLFMMYUQODL-GFCCVEGCSA-N -1 1 375.392 2.086 20 0 GEADMM FC(F)(F)CO[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737627848 598960841 /nfs/dbraw/zinc/96/08/41/598960841.db2.gz RCJOJTRUPHHCFO-JTQLQIEISA-N -1 1 379.346 2.358 20 0 GEADMM FC(F)(F)CO[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737627848 598960843 /nfs/dbraw/zinc/96/08/43/598960843.db2.gz RCJOJTRUPHHCFO-JTQLQIEISA-N -1 1 379.346 2.358 20 0 GEADMM Clc1ccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)nc1 ZINC000737577952 598962499 /nfs/dbraw/zinc/96/24/99/598962499.db2.gz XJIGDFHBOGKNPD-UHFFFAOYSA-N -1 1 393.842 2.185 20 0 GEADMM Clc1ccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)nc1 ZINC000737577952 598962500 /nfs/dbraw/zinc/96/25/00/598962500.db2.gz XJIGDFHBOGKNPD-UHFFFAOYSA-N -1 1 393.842 2.185 20 0 GEADMM FC(F)(F)Cn1ccnc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737625580 598965946 /nfs/dbraw/zinc/96/59/46/598965946.db2.gz CFOVRDSAVQFMTK-UHFFFAOYSA-N -1 1 375.318 2.181 20 0 GEADMM FC(F)(F)Cn1ccnc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737625580 598965947 /nfs/dbraw/zinc/96/59/47/598965947.db2.gz CFOVRDSAVQFMTK-UHFFFAOYSA-N -1 1 375.318 2.181 20 0 GEADMM Cc1cc(C)n([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737255535 598967674 /nfs/dbraw/zinc/96/76/74/598967674.db2.gz IOXWUKQLNJFSLS-CQSZACIVSA-N -1 1 375.440 2.465 20 0 GEADMM Cc1cc(C)n([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737255535 598967675 /nfs/dbraw/zinc/96/76/75/598967675.db2.gz IOXWUKQLNJFSLS-CQSZACIVSA-N -1 1 375.440 2.465 20 0 GEADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735587576 598968373 /nfs/dbraw/zinc/96/83/73/598968373.db2.gz VXGXYYWYOYSGME-ZDUSSCGKSA-N -1 1 394.483 2.189 20 0 GEADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735587576 598968375 /nfs/dbraw/zinc/96/83/75/598968375.db2.gz VXGXYYWYOYSGME-ZDUSSCGKSA-N -1 1 394.483 2.189 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cccc1-c1nn[nH]n1 ZINC000822129562 607255844 /nfs/dbraw/zinc/25/58/44/607255844.db2.gz LGADRJNYXRPPBV-UHFFFAOYSA-N -1 1 383.389 2.082 20 0 GEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738065941 598970191 /nfs/dbraw/zinc/97/01/91/598970191.db2.gz OKBPAJXNGQTKGH-UHFFFAOYSA-N -1 1 392.398 2.181 20 0 GEADMM O=C(NCCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738065941 598970192 /nfs/dbraw/zinc/97/01/92/598970192.db2.gz OKBPAJXNGQTKGH-UHFFFAOYSA-N -1 1 392.398 2.181 20 0 GEADMM COC(=O)c1ccc2ccccc2c1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736947560 598986385 /nfs/dbraw/zinc/98/63/85/598986385.db2.gz HGHRHLZFYLIUHZ-UHFFFAOYSA-N -1 1 375.344 2.421 20 0 GEADMM COC(=O)c1ccc2ccccc2c1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736947560 598986387 /nfs/dbraw/zinc/98/63/87/598986387.db2.gz HGHRHLZFYLIUHZ-UHFFFAOYSA-N -1 1 375.344 2.421 20 0 GEADMM CCOc1c(Cl)cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000736626269 598993969 /nfs/dbraw/zinc/99/39/69/598993969.db2.gz FUKWIZLLTFUEJG-UHFFFAOYSA-N -1 1 388.815 2.252 20 0 GEADMM CCOc1c(Cl)cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000736626269 598993971 /nfs/dbraw/zinc/99/39/71/598993971.db2.gz FUKWIZLLTFUEJG-UHFFFAOYSA-N -1 1 388.815 2.252 20 0 GEADMM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000736678748 598994123 /nfs/dbraw/zinc/99/41/23/598994123.db2.gz HMMASLJVRDOGNE-UHFFFAOYSA-N -1 1 388.391 2.239 20 0 GEADMM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736040588 598996633 /nfs/dbraw/zinc/99/66/33/598996633.db2.gz QMEWGYJSJFUHFP-SNVBAGLBSA-N -1 1 392.341 2.478 20 0 GEADMM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736040588 598996635 /nfs/dbraw/zinc/99/66/35/598996635.db2.gz QMEWGYJSJFUHFP-SNVBAGLBSA-N -1 1 392.341 2.478 20 0 GEADMM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037893 598997700 /nfs/dbraw/zinc/99/77/00/598997700.db2.gz XGVUBIMRHKVHEQ-CYBMUJFWSA-N -1 1 385.225 2.442 20 0 GEADMM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037893 598997702 /nfs/dbraw/zinc/99/77/02/598997702.db2.gz XGVUBIMRHKVHEQ-CYBMUJFWSA-N -1 1 385.225 2.442 20 0 GEADMM O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738198351 598999715 /nfs/dbraw/zinc/99/97/15/598999715.db2.gz TWDXJKWXAXVDPV-UHFFFAOYSA-N -1 1 387.359 2.128 20 0 GEADMM O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738198351 598999717 /nfs/dbraw/zinc/99/97/17/598999717.db2.gz TWDXJKWXAXVDPV-UHFFFAOYSA-N -1 1 387.359 2.128 20 0 GEADMM O=C(NCCc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087581 598999960 /nfs/dbraw/zinc/99/99/60/598999960.db2.gz GKTPRIJABUDTFF-UHFFFAOYSA-N -1 1 391.204 2.136 20 0 GEADMM O=C(NCCc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087581 598999962 /nfs/dbraw/zinc/99/99/62/598999962.db2.gz GKTPRIJABUDTFF-UHFFFAOYSA-N -1 1 391.204 2.136 20 0 GEADMM CCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736470416 599000267 /nfs/dbraw/zinc/00/02/67/599000267.db2.gz FWMADDNPAPECDL-ZDUSSCGKSA-N -1 1 379.424 2.141 20 0 GEADMM CCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736470416 599000269 /nfs/dbraw/zinc/00/02/69/599000269.db2.gz FWMADDNPAPECDL-ZDUSSCGKSA-N -1 1 379.424 2.141 20 0 GEADMM O=C(N[C@@H]1CCc2c1cccc2Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036230 599002253 /nfs/dbraw/zinc/00/22/53/599002253.db2.gz OYQASMGHDQRSSB-CYBMUJFWSA-N -1 1 385.225 2.442 20 0 GEADMM O=C(N[C@@H]1CCc2c1cccc2Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036230 599002255 /nfs/dbraw/zinc/00/22/55/599002255.db2.gz OYQASMGHDQRSSB-CYBMUJFWSA-N -1 1 385.225 2.442 20 0 GEADMM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737155659 599002991 /nfs/dbraw/zinc/00/29/91/599002991.db2.gz LQXXDFOIHJPRLU-LBPRGKRZSA-N -1 1 384.465 2.429 20 0 GEADMM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737155659 599002993 /nfs/dbraw/zinc/00/29/93/599002993.db2.gz LQXXDFOIHJPRLU-LBPRGKRZSA-N -1 1 384.465 2.429 20 0 GEADMM COCCSc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737013887 599003500 /nfs/dbraw/zinc/00/35/00/599003500.db2.gz MQTFBEYNCRWADY-LBPRGKRZSA-N -1 1 384.465 2.491 20 0 GEADMM COCCSc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737013887 599003502 /nfs/dbraw/zinc/00/35/02/599003502.db2.gz MQTFBEYNCRWADY-LBPRGKRZSA-N -1 1 384.465 2.491 20 0 GEADMM C[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC000735526640 599020650 /nfs/dbraw/zinc/02/06/50/599020650.db2.gz YLHBIZHINNDUCV-LBPRGKRZSA-N -1 1 399.455 2.446 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000737224871 599029669 /nfs/dbraw/zinc/02/96/69/599029669.db2.gz IVDSYDHPGKEESE-UHFFFAOYSA-N -1 1 381.421 2.162 20 0 GEADMM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000735760665 599030793 /nfs/dbraw/zinc/03/07/93/599030793.db2.gz GIWSCEBWUGRGEA-ZDUSSCGKSA-N -1 1 381.440 2.400 20 0 GEADMM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000735760665 599030795 /nfs/dbraw/zinc/03/07/95/599030795.db2.gz GIWSCEBWUGRGEA-ZDUSSCGKSA-N -1 1 381.440 2.400 20 0 GEADMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000735760664 599031048 /nfs/dbraw/zinc/03/10/48/599031048.db2.gz GIWSCEBWUGRGEA-CYBMUJFWSA-N -1 1 381.440 2.400 20 0 GEADMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000735760664 599031049 /nfs/dbraw/zinc/03/10/49/599031049.db2.gz GIWSCEBWUGRGEA-CYBMUJFWSA-N -1 1 381.440 2.400 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cccc2c[nH]nc21 ZINC000737198606 599068027 /nfs/dbraw/zinc/06/80/27/599068027.db2.gz BHOAEWYEEFZFRE-UHFFFAOYSA-N -1 1 393.407 2.136 20 0 GEADMM Cc1c(C(=O)Nc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2C)nnn1C ZINC000737280263 599071556 /nfs/dbraw/zinc/07/15/56/599071556.db2.gz OWFLKBMOUFKEEZ-UHFFFAOYSA-N -1 1 391.395 2.052 20 0 GEADMM C[C@@H]1CCC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736244661 599099558 /nfs/dbraw/zinc/09/95/58/599099558.db2.gz LQQQFLJCPLHFRS-OCCSQVGLSA-N -1 1 385.472 2.207 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC1CCCCCC1 ZINC000735735360 599133844 /nfs/dbraw/zinc/13/38/44/599133844.db2.gz SPOABPQCKFLQDT-INIZCTEOSA-N -1 1 386.456 2.282 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC1CCCCCC1 ZINC000735735360 599133846 /nfs/dbraw/zinc/13/38/46/599133846.db2.gz SPOABPQCKFLQDT-INIZCTEOSA-N -1 1 386.456 2.282 20 0 GEADMM CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000736602304 599151470 /nfs/dbraw/zinc/15/14/70/599151470.db2.gz HIABGHQAPBBNLA-UHFFFAOYSA-N -1 1 392.375 2.447 20 0 GEADMM CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000736602304 599151471 /nfs/dbraw/zinc/15/14/71/599151471.db2.gz HIABGHQAPBBNLA-UHFFFAOYSA-N -1 1 392.375 2.447 20 0 GEADMM O=C(O[C@@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738213821 599152409 /nfs/dbraw/zinc/15/24/09/599152409.db2.gz HUHIOMATBOMMTF-HNNXBMFYSA-N -1 1 396.798 2.105 20 0 GEADMM O=C(O[C@@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738213821 599152412 /nfs/dbraw/zinc/15/24/12/599152412.db2.gz HUHIOMATBOMMTF-HNNXBMFYSA-N -1 1 396.798 2.105 20 0 GEADMM CC[C@@H](C)C[C@H](C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820870202 599160334 /nfs/dbraw/zinc/16/03/34/599160334.db2.gz OZCMAFDWGXMNDL-NEPJUHHUSA-N -1 1 384.488 2.400 20 0 GEADMM CC[C@@H](C)C[C@H](C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820870202 599160337 /nfs/dbraw/zinc/16/03/37/599160337.db2.gz OZCMAFDWGXMNDL-NEPJUHHUSA-N -1 1 384.488 2.400 20 0 GEADMM CCO[C@@H](C)c1nc(Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cs1 ZINC000736614691 599166429 /nfs/dbraw/zinc/16/64/29/599166429.db2.gz IOAKYHXXOSCCCF-JTQLQIEISA-N -1 1 389.485 2.151 20 0 GEADMM CCO[C@H](C)c1nc(Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cs1 ZINC000736615167 599166651 /nfs/dbraw/zinc/16/66/51/599166651.db2.gz IOAKYHXXOSCCCF-SNVBAGLBSA-N -1 1 389.485 2.151 20 0 GEADMM Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737328889 599179377 /nfs/dbraw/zinc/17/93/77/599179377.db2.gz DVVFEWFVMIBWEM-CQSZACIVSA-N -1 1 377.401 2.433 20 0 GEADMM COc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1OC(F)F ZINC000737131817 599189690 /nfs/dbraw/zinc/18/96/90/599189690.db2.gz DWRRQIHLWPVDJL-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM COc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1OC(F)F ZINC000737131817 599189692 /nfs/dbraw/zinc/18/96/92/599189692.db2.gz DWRRQIHLWPVDJL-UHFFFAOYSA-N -1 1 377.307 2.229 20 0 GEADMM CC(C)(C)OC(=O)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735623254 599201454 /nfs/dbraw/zinc/20/14/54/599201454.db2.gz GDIQUKWHHLBSRJ-UHFFFAOYSA-N -1 1 380.408 2.250 20 0 GEADMM CC(C)(C)OC(=O)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735623254 599201455 /nfs/dbraw/zinc/20/14/55/599201455.db2.gz GDIQUKWHHLBSRJ-UHFFFAOYSA-N -1 1 380.408 2.250 20 0 GEADMM Cc1nc(C)n(C[C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC000737473816 599204026 /nfs/dbraw/zinc/20/40/26/599204026.db2.gz HQQBGZCIHPBXGR-JTQLQIEISA-N -1 1 379.881 2.102 20 0 GEADMM Cc1nc(C)n(C[C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC000737473816 599204030 /nfs/dbraw/zinc/20/40/30/599204030.db2.gz HQQBGZCIHPBXGR-JTQLQIEISA-N -1 1 379.881 2.102 20 0 GEADMM O=C([O-])[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)C1 ZINC000263533171 596902515 /nfs/dbraw/zinc/90/25/15/596902515.db2.gz XSZRDKRZDQZEFY-SNVBAGLBSA-N -1 1 383.376 2.072 20 0 GEADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000818208115 596907521 /nfs/dbraw/zinc/90/75/21/596907521.db2.gz VTEGDLKURSTBLV-CYBMUJFWSA-N -1 1 380.876 2.420 20 0 GEADMM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736197908 599230226 /nfs/dbraw/zinc/23/02/26/599230226.db2.gz DFZQKLCUJOZBSX-ZDUSSCGKSA-N -1 1 397.870 2.434 20 0 GEADMM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736197908 599230228 /nfs/dbraw/zinc/23/02/28/599230228.db2.gz DFZQKLCUJOZBSX-ZDUSSCGKSA-N -1 1 397.870 2.434 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000738259612 599228072 /nfs/dbraw/zinc/22/80/72/599228072.db2.gz SQZZHNMALKXBBO-UHFFFAOYSA-N -1 1 380.252 2.219 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000738259612 599228073 /nfs/dbraw/zinc/22/80/73/599228073.db2.gz SQZZHNMALKXBBO-UHFFFAOYSA-N -1 1 380.252 2.219 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CCC(=O)[O-])cc1 ZINC000485884777 597005595 /nfs/dbraw/zinc/00/55/95/597005595.db2.gz TYGHUSLNXYEUSN-UHFFFAOYSA-N -1 1 392.433 2.043 20 0 GEADMM CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736405785 599235774 /nfs/dbraw/zinc/23/57/74/599235774.db2.gz HRAGSSBLXWXOGE-NSHDSACASA-N -1 1 389.412 2.372 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@H](CC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000769756420 597084684 /nfs/dbraw/zinc/08/46/84/597084684.db2.gz SLXZWMRUKGYOAW-IXDOHACOSA-N -1 1 389.496 2.425 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000818236453 597209661 /nfs/dbraw/zinc/20/96/61/597209661.db2.gz GDFNYQPMWBZROU-QGZVFWFLSA-N -1 1 378.473 2.068 20 0 GEADMM COCC[S@@](=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821694473 607317110 /nfs/dbraw/zinc/31/71/10/607317110.db2.gz ONIZHZCMAIBUOG-RUZDIDTESA-N -1 1 377.495 2.435 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CSc3ccccc32)cc1-c1nn[n-]n1 ZINC000737187791 599278688 /nfs/dbraw/zinc/27/86/88/599278688.db2.gz VDNIFPZEXNSTTR-NSHDSACASA-N -1 1 386.462 2.266 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000823294740 607320562 /nfs/dbraw/zinc/32/05/62/607320562.db2.gz PNIHEAUWKZBMQF-HNNXBMFYSA-N -1 1 397.416 2.232 20 0 GEADMM Cc1nn(CCc2cccc(OC(F)(F)F)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500869 607326938 /nfs/dbraw/zinc/32/69/38/607326938.db2.gz KCPRKANCSMNCRZ-UHFFFAOYSA-N -1 1 380.330 2.182 20 0 GEADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2C)o1 ZINC000822214192 607328580 /nfs/dbraw/zinc/32/85/80/607328580.db2.gz TXEVQLRZMBCHHE-UHFFFAOYSA-N -1 1 385.409 2.267 20 0 GEADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000820369165 598208411 /nfs/dbraw/zinc/20/84/11/598208411.db2.gz SFYMPHHOYFIJAE-UHFFFAOYSA-N -1 1 381.381 2.430 20 0 GEADMM COc1cccc([C@H]2[C@@H](NC(=O)N3CCC(C(=O)[O-])CC3)CCN2C2CC2)c1 ZINC000820865747 598215935 /nfs/dbraw/zinc/21/59/35/598215935.db2.gz WFFFRBZASKLCDV-OALUTQOASA-N -1 1 387.480 2.479 20 0 GEADMM CCc1csc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000736699298 598243317 /nfs/dbraw/zinc/24/33/17/598243317.db2.gz MXVUTLAVCLWGTR-UHFFFAOYSA-N -1 1 397.468 2.116 20 0 GEADMM CCc1csc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000736699298 598243319 /nfs/dbraw/zinc/24/33/19/598243319.db2.gz MXVUTLAVCLWGTR-UHFFFAOYSA-N -1 1 397.468 2.116 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735636516 598246673 /nfs/dbraw/zinc/24/66/73/598246673.db2.gz XYFNKDYYSBWKAB-MRVPVSSYSA-N -1 1 385.881 2.328 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735636516 598246674 /nfs/dbraw/zinc/24/66/74/598246674.db2.gz XYFNKDYYSBWKAB-MRVPVSSYSA-N -1 1 385.881 2.328 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2ccccc2c1 ZINC000736129616 598260481 /nfs/dbraw/zinc/26/04/81/598260481.db2.gz GXYRKVHGNKCUPO-LBPRGKRZSA-N -1 1 380.433 2.454 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2ccccc2c1 ZINC000736129616 598260483 /nfs/dbraw/zinc/26/04/83/598260483.db2.gz GXYRKVHGNKCUPO-LBPRGKRZSA-N -1 1 380.433 2.454 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CCCC2 ZINC000736129878 598260515 /nfs/dbraw/zinc/26/05/15/598260515.db2.gz JKIFRENCIYFPNN-GFCCVEGCSA-N -1 1 384.465 2.180 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CCCC2 ZINC000736129878 598260517 /nfs/dbraw/zinc/26/05/17/598260517.db2.gz JKIFRENCIYFPNN-GFCCVEGCSA-N -1 1 384.465 2.180 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000738353782 598264777 /nfs/dbraw/zinc/26/47/77/598264777.db2.gz GWQOWJMAZHZDNZ-OAHLLOKOSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000738353782 598264779 /nfs/dbraw/zinc/26/47/79/598264779.db2.gz GWQOWJMAZHZDNZ-OAHLLOKOSA-N -1 1 390.856 2.441 20 0 GEADMM CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736507537 598265844 /nfs/dbraw/zinc/26/58/44/598265844.db2.gz FBPXQYJGQAQXJA-LBPRGKRZSA-N -1 1 388.453 2.042 20 0 GEADMM CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736507537 598265845 /nfs/dbraw/zinc/26/58/45/598265845.db2.gz FBPXQYJGQAQXJA-LBPRGKRZSA-N -1 1 388.453 2.042 20 0 GEADMM Cc1cccc(CN(CC(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737392961 598270884 /nfs/dbraw/zinc/27/08/84/598270884.db2.gz CISPCKMLJVXIAN-UHFFFAOYSA-N -1 1 386.481 2.417 20 0 GEADMM Cc1cccc(CN(CC(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737392961 598270886 /nfs/dbraw/zinc/27/08/86/598270886.db2.gz CISPCKMLJVXIAN-UHFFFAOYSA-N -1 1 386.481 2.417 20 0 GEADMM O=C(C1CCCCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737783114 598297703 /nfs/dbraw/zinc/29/77/03/598297703.db2.gz IHLHPWHOFJSRHT-UHFFFAOYSA-N -1 1 385.472 2.351 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000737546568 598332102 /nfs/dbraw/zinc/33/21/02/598332102.db2.gz DQCILWVQUFMHMW-ZDUSSCGKSA-N -1 1 392.423 2.302 20 0 GEADMM c1cnc(-c2nnn[n-]2)c(NCC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000738445874 598340129 /nfs/dbraw/zinc/34/01/29/598340129.db2.gz NBQXQMRDZXQPDO-UHFFFAOYSA-N -1 1 379.424 2.352 20 0 GEADMM c1cnc(-c2nn[n-]n2)c(NCC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000738445874 598340130 /nfs/dbraw/zinc/34/01/30/598340130.db2.gz NBQXQMRDZXQPDO-UHFFFAOYSA-N -1 1 379.424 2.352 20 0 GEADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)c1nccnc1-c1nnn[n-]1 ZINC000737415377 598346861 /nfs/dbraw/zinc/34/68/61/598346861.db2.gz PMMOFXQRYBHLBD-UHFFFAOYSA-N -1 1 375.440 2.404 20 0 GEADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)c1nccnc1-c1nn[n-]n1 ZINC000737415377 598346863 /nfs/dbraw/zinc/34/68/63/598346863.db2.gz PMMOFXQRYBHLBD-UHFFFAOYSA-N -1 1 375.440 2.404 20 0 GEADMM CCc1nn(Cc2coc(-c3ccc(F)cc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707814 598378514 /nfs/dbraw/zinc/37/85/14/598378514.db2.gz UHLLFHFBKCSULW-UHFFFAOYSA-N -1 1 395.398 2.391 20 0 GEADMM CCOc1cc2c(cc1C=CC(=O)N=c1cc[nH]cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000736636797 598379068 /nfs/dbraw/zinc/37/90/68/598379068.db2.gz SGFXRVKZVHLQNU-ZYOFXKKJSA-N -1 1 392.419 2.058 20 0 GEADMM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737859591 598381909 /nfs/dbraw/zinc/38/19/09/598381909.db2.gz FVALCDLIVZJALJ-UHFFFAOYSA-N -1 1 397.345 2.188 20 0 GEADMM FC(F)(F)c1cccc(N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737635886 598384475 /nfs/dbraw/zinc/38/44/75/598384475.db2.gz OTLFOUSGRHOWDP-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM FC(F)(F)c1cccc(N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737635886 598384477 /nfs/dbraw/zinc/38/44/77/598384477.db2.gz OTLFOUSGRHOWDP-UHFFFAOYSA-N -1 1 376.346 2.002 20 0 GEADMM Fc1cccc(-c2noc([C@@H]3CCCN(c4cnc(-c5nnn[n-]5)cn4)C3)n2)c1 ZINC000737664072 598387031 /nfs/dbraw/zinc/38/70/31/598387031.db2.gz BECBHYNPNAQXMA-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1cccc(-c2noc([C@@H]3CCCN(c4cnc(-c5nn[n-]n5)cn4)C3)n2)c1 ZINC000737664072 598387033 /nfs/dbraw/zinc/38/70/33/598387033.db2.gz BECBHYNPNAQXMA-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737361692 598394032 /nfs/dbraw/zinc/39/40/32/598394032.db2.gz XMNMELSUSIMBOS-AWEZNQCLSA-N -1 1 393.455 2.003 20 0 GEADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737361692 598394034 /nfs/dbraw/zinc/39/40/34/598394034.db2.gz XMNMELSUSIMBOS-AWEZNQCLSA-N -1 1 393.455 2.003 20 0 GEADMM CN(C)C(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736748311 598395447 /nfs/dbraw/zinc/39/54/47/598395447.db2.gz XVDWYMJQDPRPSD-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM CN(C)C(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736748311 598395448 /nfs/dbraw/zinc/39/54/48/598395448.db2.gz XVDWYMJQDPRPSD-UHFFFAOYSA-N -1 1 398.398 2.006 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(=O)c1cccc(F)c1 ZINC000737198767 598418460 /nfs/dbraw/zinc/41/84/60/598418460.db2.gz CXNBJKBAOYEUCZ-UHFFFAOYSA-N -1 1 399.382 2.082 20 0 GEADMM O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(Cl)cc1[O-] ZINC000738031276 598450525 /nfs/dbraw/zinc/45/05/25/598450525.db2.gz COIUWFOFCOJONS-UHFFFAOYSA-N -1 1 399.842 2.020 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000735677807 598463458 /nfs/dbraw/zinc/46/34/58/598463458.db2.gz HGRSERIZSBDCHE-UHFFFAOYSA-N -1 1 378.845 2.129 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000735677807 598463460 /nfs/dbraw/zinc/46/34/60/598463460.db2.gz HGRSERIZSBDCHE-UHFFFAOYSA-N -1 1 378.845 2.129 20 0 GEADMM CCCO[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736486987 598512950 /nfs/dbraw/zinc/51/29/50/598512950.db2.gz CHSYKADVWQZCQL-LLVKDONJSA-N -1 1 392.485 2.111 20 0 GEADMM CC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736350196 598529486 /nfs/dbraw/zinc/52/94/86/598529486.db2.gz KSMNCDWSEJYWDU-GFCCVEGCSA-N -1 1 384.465 2.440 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)C1CCCCC1 ZINC000737546753 598530116 /nfs/dbraw/zinc/53/01/16/598530116.db2.gz FVWRTYKQWAOOFL-AWEZNQCLSA-N -1 1 384.440 2.230 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)C1CCCCC1 ZINC000737546753 598530117 /nfs/dbraw/zinc/53/01/17/598530117.db2.gz FVWRTYKQWAOOFL-AWEZNQCLSA-N -1 1 384.440 2.230 20 0 GEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCC1CCCCC1 ZINC000819988054 607360484 /nfs/dbraw/zinc/36/04/84/607360484.db2.gz RPYRSCCNZCHTHU-UHFFFAOYSA-N -1 1 376.486 2.133 20 0 GEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCC1CCCCC1 ZINC000819988054 607360486 /nfs/dbraw/zinc/36/04/86/607360486.db2.gz RPYRSCCNZCHTHU-UHFFFAOYSA-N -1 1 376.486 2.133 20 0 GEADMM Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737310731 598575018 /nfs/dbraw/zinc/57/50/18/598575018.db2.gz QOBFPFRHDHWUIV-UHFFFAOYSA-N -1 1 383.843 2.186 20 0 GEADMM Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737310731 598575020 /nfs/dbraw/zinc/57/50/20/598575020.db2.gz QOBFPFRHDHWUIV-UHFFFAOYSA-N -1 1 383.843 2.186 20 0 GEADMM CCNC(=O)COc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736575455 598575733 /nfs/dbraw/zinc/57/57/33/598575733.db2.gz FWLXSAYEDUXFCJ-UHFFFAOYSA-N -1 1 387.831 2.042 20 0 GEADMM CCNC(=O)COc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736575455 598575735 /nfs/dbraw/zinc/57/57/35/598575735.db2.gz FWLXSAYEDUXFCJ-UHFFFAOYSA-N -1 1 387.831 2.042 20 0 GEADMM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736189293 598604187 /nfs/dbraw/zinc/60/41/87/598604187.db2.gz SMMCVSNAFUICKO-CYBMUJFWSA-N -1 1 389.419 2.344 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000737198623 598613613 /nfs/dbraw/zinc/61/36/13/598613613.db2.gz BIQNOWAONQQLNF-UHFFFAOYSA-N -1 1 396.386 2.171 20 0 GEADMM Cc1nn(Cc2coc(-c3ccc(F)c(F)c3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737523703 598644824 /nfs/dbraw/zinc/64/48/24/598644824.db2.gz ROFYXLKAQGREME-UHFFFAOYSA-N -1 1 385.334 2.022 20 0 GEADMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1Cc1ccccc1 ZINC000737227743 598677402 /nfs/dbraw/zinc/67/74/02/598677402.db2.gz QNHQXJBWPKMGOX-UHFFFAOYSA-N -1 1 388.431 2.378 20 0 GEADMM CC(=O)c1cc(F)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735497127 598686177 /nfs/dbraw/zinc/68/61/77/598686177.db2.gz OWUGSXVLLPRCLE-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2cc(F)ccc21 ZINC000738354811 598691015 /nfs/dbraw/zinc/69/10/15/598691015.db2.gz LBBQQKUZOOSHAC-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM CC(C)Cc1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000735851049 598720567 /nfs/dbraw/zinc/72/05/67/598720567.db2.gz KISODUVPYVILMY-UHFFFAOYSA-N -1 1 385.815 2.465 20 0 GEADMM CCS[C@@H]1CCCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736663312 598748639 /nfs/dbraw/zinc/74/86/39/598748639.db2.gz CYHNRARWEMKPGY-LLVKDONJSA-N -1 1 385.490 2.302 20 0 GEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000737470689 598762599 /nfs/dbraw/zinc/76/25/99/598762599.db2.gz KQHKYSFNYFYMFN-ZDUSSCGKSA-N -1 1 385.428 2.310 20 0 GEADMM Cc1nc(C)n([C@@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)n1 ZINC000737473097 599297215 /nfs/dbraw/zinc/29/72/15/599297215.db2.gz DPONAMSFOFEHPU-CQSZACIVSA-N -1 1 375.440 2.465 20 0 GEADMM Cc1nc(C)n([C@@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)n1 ZINC000737473097 599297217 /nfs/dbraw/zinc/29/72/17/599297217.db2.gz DPONAMSFOFEHPU-CQSZACIVSA-N -1 1 375.440 2.465 20 0 GEADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737091279 599334592 /nfs/dbraw/zinc/33/45/92/599334592.db2.gz SCGYHWOWFDGTCB-UHFFFAOYSA-N -1 1 393.856 2.349 20 0 GEADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1(C)C ZINC000821361668 599344810 /nfs/dbraw/zinc/34/48/10/599344810.db2.gz WBZOKIACGXMFNB-ZIAGYGMSSA-N -1 1 399.904 2.344 20 0 GEADMM CCC[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821021218 599348922 /nfs/dbraw/zinc/34/89/22/599348922.db2.gz MCKFOZFGAUSHEZ-OAHLLOKOSA-N -1 1 386.481 2.342 20 0 GEADMM CCC[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821021218 599348924 /nfs/dbraw/zinc/34/89/24/599348924.db2.gz MCKFOZFGAUSHEZ-OAHLLOKOSA-N -1 1 386.481 2.342 20 0 GEADMM Cc1nonc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737547531 599386220 /nfs/dbraw/zinc/38/62/20/599386220.db2.gz KBUBTIUXQRQSRA-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM Cc1nonc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737547531 599386222 /nfs/dbraw/zinc/38/62/22/599386222.db2.gz KBUBTIUXQRQSRA-UHFFFAOYSA-N -1 1 395.354 2.420 20 0 GEADMM COc1cc(OC)cc([C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2nccn2C)c1 ZINC000821723764 599401846 /nfs/dbraw/zinc/40/18/46/599401846.db2.gz JGXQLPADGDNVEI-QGZVFWFLSA-N -1 1 395.423 2.090 20 0 GEADMM COc1cc(OC)cc([C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2nccn2C)c1 ZINC000821723764 599401847 /nfs/dbraw/zinc/40/18/47/599401847.db2.gz JGXQLPADGDNVEI-QGZVFWFLSA-N -1 1 395.423 2.090 20 0 GEADMM O=C(c1ccc2ccccc2c1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738272241 599402432 /nfs/dbraw/zinc/40/24/32/599402432.db2.gz ZWGPFTZKXQYKIC-UHFFFAOYSA-N -1 1 385.431 2.377 20 0 GEADMM O=C(c1ccc2ccccc2c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738272241 599402434 /nfs/dbraw/zinc/40/24/34/599402434.db2.gz ZWGPFTZKXQYKIC-UHFFFAOYSA-N -1 1 385.431 2.377 20 0 GEADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000738163307 599413019 /nfs/dbraw/zinc/41/30/19/599413019.db2.gz LOBLDUPWSJXFCO-LLVKDONJSA-N -1 1 384.831 2.165 20 0 GEADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000738163307 599413020 /nfs/dbraw/zinc/41/30/20/599413020.db2.gz LOBLDUPWSJXFCO-LLVKDONJSA-N -1 1 384.831 2.165 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1Cl ZINC000736131308 599448382 /nfs/dbraw/zinc/44/83/82/599448382.db2.gz PZIQPIOKCMROMY-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1Cl ZINC000736131308 599448384 /nfs/dbraw/zinc/44/83/84/599448384.db2.gz PZIQPIOKCMROMY-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979639 599448912 /nfs/dbraw/zinc/44/89/12/599448912.db2.gz UOVZWQSMXXJVLV-SCLBCKFNSA-N -1 1 382.449 2.149 20 0 GEADMM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172514 599469597 /nfs/dbraw/zinc/46/95/97/599469597.db2.gz NKNLANBCVDDKBJ-UHFFFAOYSA-N -1 1 380.408 2.319 20 0 GEADMM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172514 599469601 /nfs/dbraw/zinc/46/96/01/599469601.db2.gz NKNLANBCVDDKBJ-UHFFFAOYSA-N -1 1 380.408 2.319 20 0 GEADMM O=C(Cc1ccccc1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823115449 599478670 /nfs/dbraw/zinc/47/86/70/599478670.db2.gz OAHTVNSLDUKLFS-UHFFFAOYSA-N -1 1 399.458 2.306 20 0 GEADMM O=C(Cc1ccccc1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823115449 599478673 /nfs/dbraw/zinc/47/86/73/599478673.db2.gz OAHTVNSLDUKLFS-UHFFFAOYSA-N -1 1 399.458 2.306 20 0 GEADMM O=C(NCC1CC1)[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000823170847 599482077 /nfs/dbraw/zinc/48/20/77/599482077.db2.gz JNAKPRLJIFFUAQ-AWEZNQCLSA-N -1 1 377.452 2.158 20 0 GEADMM O=C(NCC1CC1)[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000823170847 599482078 /nfs/dbraw/zinc/48/20/78/599482078.db2.gz JNAKPRLJIFFUAQ-AWEZNQCLSA-N -1 1 377.452 2.158 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C ZINC000820636072 599492037 /nfs/dbraw/zinc/49/20/37/599492037.db2.gz PSUCWKYLFHMODJ-OAHLLOKOSA-N -1 1 397.370 2.208 20 0 GEADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C ZINC000820636072 599492038 /nfs/dbraw/zinc/49/20/38/599492038.db2.gz PSUCWKYLFHMODJ-OAHLLOKOSA-N -1 1 397.370 2.208 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC(C)C ZINC000820637459 599492288 /nfs/dbraw/zinc/49/22/88/599492288.db2.gz XJCWUIBKDRBWEU-OAHLLOKOSA-N -1 1 388.428 2.408 20 0 GEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC(C)C ZINC000820637459 599492290 /nfs/dbraw/zinc/49/22/90/599492290.db2.gz XJCWUIBKDRBWEU-OAHLLOKOSA-N -1 1 388.428 2.408 20 0 GEADMM CN(C[C@H]1CCCN1c1cccnn1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821596702 599531744 /nfs/dbraw/zinc/53/17/44/599531744.db2.gz RTSDLEDWXXNTNL-CQSZACIVSA-N -1 1 387.451 2.310 20 0 GEADMM CN(C[C@H]1CCCN1c1cccnn1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821596702 599531745 /nfs/dbraw/zinc/53/17/45/599531745.db2.gz RTSDLEDWXXNTNL-CQSZACIVSA-N -1 1 387.451 2.310 20 0 GEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000823792050 599543745 /nfs/dbraw/zinc/54/37/45/599543745.db2.gz NUCBRXYYYXDQAC-CYBMUJFWSA-N -1 1 387.451 2.337 20 0 GEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000823792050 599543747 /nfs/dbraw/zinc/54/37/47/599543747.db2.gz NUCBRXYYYXDQAC-CYBMUJFWSA-N -1 1 387.451 2.337 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)nc(C)n3C)cc1-c1nn[n-]n1 ZINC000821979487 599551272 /nfs/dbraw/zinc/55/12/72/599551272.db2.gz SJSMBPUFHAAKJO-UHFFFAOYSA-N -1 1 396.436 2.137 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2S1 ZINC000736277826 599559490 /nfs/dbraw/zinc/55/94/90/599559490.db2.gz YUDINNTVHFMZOB-NSHDSACASA-N -1 1 388.478 2.341 20 0 GEADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2S1 ZINC000736277826 599559494 /nfs/dbraw/zinc/55/94/94/599559494.db2.gz YUDINNTVHFMZOB-NSHDSACASA-N -1 1 388.478 2.341 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)Cc2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000737186928 599604322 /nfs/dbraw/zinc/60/43/22/599604322.db2.gz LUSOVKXSSIOSGJ-MRVPVSSYSA-N -1 1 390.494 2.420 20 0 GEADMM CC(C)(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)OCc1ccccc1 ZINC000819987663 599626607 /nfs/dbraw/zinc/62/66/07/599626607.db2.gz FLEBEGDEYXGJHC-UHFFFAOYSA-N -1 1 396.407 2.124 20 0 GEADMM CC(C)(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)OCc1ccccc1 ZINC000819987663 599626608 /nfs/dbraw/zinc/62/66/08/599626608.db2.gz FLEBEGDEYXGJHC-UHFFFAOYSA-N -1 1 396.407 2.124 20 0 GEADMM Cc1oc(NC(=O)[C@@H](C)N(C)Cc2nccn2C(F)F)c(-c2nn[n-]n2)c1C ZINC000822540464 599643038 /nfs/dbraw/zinc/64/30/38/599643038.db2.gz BERBQHMLLZWZQU-SECBINFHSA-N -1 1 394.386 2.127 20 0 GEADMM CCCOC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000821127354 599651943 /nfs/dbraw/zinc/65/19/43/599651943.db2.gz GGQNWMVRIHLWDV-SECBINFHSA-N -1 1 391.453 2.360 20 0 GEADMM CCCOC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821127354 599651944 /nfs/dbraw/zinc/65/19/44/599651944.db2.gz GGQNWMVRIHLWDV-SECBINFHSA-N -1 1 391.453 2.360 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CNc2c(C)cccc2C)c(-c2nn[n-]n2)c1C ZINC000822293830 599665199 /nfs/dbraw/zinc/66/51/99/599665199.db2.gz NHKYAJACNAZAKW-UHFFFAOYSA-N -1 1 398.423 2.287 20 0 GEADMM Cc1noc(C(F)F)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000822519892 599695538 /nfs/dbraw/zinc/69/55/38/599695538.db2.gz NPNMVKGBLCVERP-UHFFFAOYSA-N -1 1 396.310 2.106 20 0 GEADMM CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737360360 599721522 /nfs/dbraw/zinc/72/15/22/599721522.db2.gz MHRCPZKSUIJCDF-INIZCTEOSA-N -1 1 388.399 2.273 20 0 GEADMM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825044095 607390680 /nfs/dbraw/zinc/39/06/80/607390680.db2.gz NXEVVSQNXZEPDI-GOSISDBHSA-N -1 1 390.444 2.246 20 0 GEADMM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825044095 607390682 /nfs/dbraw/zinc/39/06/82/607390682.db2.gz NXEVVSQNXZEPDI-GOSISDBHSA-N -1 1 390.444 2.246 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCCCC(=O)[O-])CC1 ZINC000563078302 599758663 /nfs/dbraw/zinc/75/86/63/599758663.db2.gz UAOYHWRTPBHHSN-CQSZACIVSA-N -1 1 380.464 2.193 20 0 GEADMM O=C([O-])[C@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccccc1 ZINC000324602858 599785706 /nfs/dbraw/zinc/78/57/06/599785706.db2.gz JLKVCEOGPDVWJS-MRXNPFEDSA-N -1 1 388.221 2.373 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCc1ccccn1 ZINC000822541963 607396111 /nfs/dbraw/zinc/39/61/11/607396111.db2.gz RREMDQLRXOAYIF-UHFFFAOYSA-N -1 1 377.408 2.316 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCc1ccccn1 ZINC000822541963 607396113 /nfs/dbraw/zinc/39/61/13/607396113.db2.gz RREMDQLRXOAYIF-UHFFFAOYSA-N -1 1 377.408 2.316 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)Nc2ccccc2N2CCN(C)CC2)c(C(=O)[O-])c1C ZINC000736180063 599844430 /nfs/dbraw/zinc/84/44/30/599844430.db2.gz OZBWKUBARZPNJD-UHFFFAOYSA-N -1 1 398.463 2.157 20 0 GEADMM COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)CCC(=O)[O-])cc1 ZINC000738034405 599874389 /nfs/dbraw/zinc/87/43/89/599874389.db2.gz VCMGHMAEJJFTMF-UHFFFAOYSA-N -1 1 378.406 2.164 20 0 GEADMM Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738305711 599960379 /nfs/dbraw/zinc/96/03/79/599960379.db2.gz PCSQSKCLQWSCJX-UHFFFAOYSA-N -1 1 379.419 2.447 20 0 GEADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN(CCO)Cc1ccccc1 ZINC000737505838 599961835 /nfs/dbraw/zinc/96/18/35/599961835.db2.gz QSQNUPFQRSLVMQ-HXUWFJFHSA-N -1 1 395.459 2.216 20 0 GEADMM O=C([O-])C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000738562680 599965947 /nfs/dbraw/zinc/96/59/47/599965947.db2.gz CSIAFYJHIZXCNQ-INIZCTEOSA-N -1 1 398.394 2.154 20 0 GEADMM Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738850714 599969272 /nfs/dbraw/zinc/96/92/72/599969272.db2.gz VBMHMYJWYHVXTI-INIZCTEOSA-N -1 1 385.468 2.252 20 0 GEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccccc1NS(C)(=O)=O ZINC000485905523 599986573 /nfs/dbraw/zinc/98/65/73/599986573.db2.gz JPMAKSPRQBJCOY-UHFFFAOYSA-N -1 1 378.406 2.082 20 0 GEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000738149148 600029462 /nfs/dbraw/zinc/02/94/62/600029462.db2.gz NNZGZFUOTVSJRU-CYBMUJFWSA-N -1 1 385.420 2.254 20 0 GEADMM Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1C(=O)[O-] ZINC000738411448 600042961 /nfs/dbraw/zinc/04/29/61/600042961.db2.gz RCKRHFSYYDBOFE-KRWDZBQOSA-N -1 1 387.411 2.190 20 0 GEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCn1c(C)csc1=O)CC2 ZINC000737905625 600044652 /nfs/dbraw/zinc/04/46/52/600044652.db2.gz NUAUDRTWSGIALD-OAHLLOKOSA-N -1 1 392.477 2.310 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000738410117 600045005 /nfs/dbraw/zinc/04/50/05/600045005.db2.gz DCBFWEAPVMTUFU-SFHVURJKSA-N -1 1 395.459 2.413 20 0 GEADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccnn2C(C)C)c1OC ZINC000737873912 600054018 /nfs/dbraw/zinc/05/40/18/600054018.db2.gz SYFPOIUUFBTFRV-WAYWQWQTSA-N -1 1 395.437 2.380 20 0 GEADMM CCOCCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000737178191 600054792 /nfs/dbraw/zinc/05/47/92/600054792.db2.gz RMOZZXWXMQTQAP-UHFFFAOYSA-N -1 1 386.451 2.366 20 0 GEADMM CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000736168187 600094073 /nfs/dbraw/zinc/09/40/73/600094073.db2.gz CSVSWWOPEFOFAV-UHFFFAOYSA-N -1 1 391.377 2.187 20 0 GEADMM CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000164598842 600130195 /nfs/dbraw/zinc/13/01/95/600130195.db2.gz YCAYFLJOPXMFBO-SNVBAGLBSA-N -1 1 375.288 2.266 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000463343564 600134311 /nfs/dbraw/zinc/13/43/11/600134311.db2.gz CVVIMPBEICDJFP-OAHLLOKOSA-N -1 1 388.464 2.140 20 0 GEADMM CC(C)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262669755 600136484 /nfs/dbraw/zinc/13/64/84/600136484.db2.gz OYGQSGWUQJWCCM-OXQOHEQNSA-N -1 1 390.480 2.458 20 0 GEADMM COc1cc(-c2nnc(CN3CCC[C@@H](C(=O)[O-])C3)o2)cc(OC)c1OC ZINC000737845962 600138072 /nfs/dbraw/zinc/13/80/72/600138072.db2.gz QJMYNCPOMBQUQI-LLVKDONJSA-N -1 1 377.397 2.059 20 0 GEADMM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822328413 607425012 /nfs/dbraw/zinc/42/50/12/607425012.db2.gz PIOFMMKZAKDVDE-HOTGVXAUSA-N -1 1 396.455 2.420 20 0 GEADMM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822328413 607425013 /nfs/dbraw/zinc/42/50/13/607425013.db2.gz PIOFMMKZAKDVDE-HOTGVXAUSA-N -1 1 396.455 2.420 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000736206234 600168303 /nfs/dbraw/zinc/16/83/03/600168303.db2.gz WADKZPWWBZLGIC-CQSZACIVSA-N -1 1 397.516 2.029 20 0 GEADMM O=C([O-])[C@@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Cc1ccc(O)cc1 ZINC000739398276 600179585 /nfs/dbraw/zinc/17/95/85/600179585.db2.gz RRRZTDRGQDKQQS-GFCCVEGCSA-N -1 1 399.428 2.003 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3cccc(NC(=O)[O-])c3)CC2)CC1 ZINC000736769266 600201456 /nfs/dbraw/zinc/20/14/56/600201456.db2.gz RDBYXSDHTSGUKQ-UHFFFAOYSA-N -1 1 388.468 2.438 20 0 GEADMM O=C([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000312139741 600222425 /nfs/dbraw/zinc/22/24/25/600222425.db2.gz ZNGGULCLHOMXHD-LJQANCHMSA-N -1 1 388.489 2.469 20 0 GEADMM C[N@@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000737528951 600233919 /nfs/dbraw/zinc/23/39/19/600233919.db2.gz FHPJQJMQUSAHDU-UHFFFAOYSA-N -1 1 382.388 2.452 20 0 GEADMM C[N@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000737528951 600233922 /nfs/dbraw/zinc/23/39/22/600233922.db2.gz FHPJQJMQUSAHDU-UHFFFAOYSA-N -1 1 382.388 2.452 20 0 GEADMM O=C([O-])c1ccc(-c2noc(CCNC(=O)c3n[nH]c4ccccc43)n2)cc1 ZINC000740101876 600246686 /nfs/dbraw/zinc/24/66/86/600246686.db2.gz WHKZBRCDWKTEKR-UHFFFAOYSA-N -1 1 377.360 2.284 20 0 GEADMM 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1 397.840 2.126 20 0 GEADMM CN(C(=O)[O-])c1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000830514550 601122531 /nfs/dbraw/zinc/12/25/31/601122531.db2.gz SURKTNIAQITGAH-UHFFFAOYSA-N -1 1 384.417 2.438 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000827374924 601130524 /nfs/dbraw/zinc/13/05/24/601130524.db2.gz OEZQIVMBEGBAMO-SNVBAGLBSA-N -1 1 381.483 2.279 20 0 GEADMM COCCOc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000831773751 601131046 /nfs/dbraw/zinc/13/10/46/601131046.db2.gz IKVDYJWFFDPPEB-ZDUSSCGKSA-N -1 1 399.875 2.378 20 0 GEADMM COC(=O)Nc1cc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1F ZINC000831206716 601131806 /nfs/dbraw/zinc/13/18/06/601131806.db2.gz MZZLFBNGBYZKNZ-LLVKDONJSA-N -1 1 382.392 2.017 20 0 GEADMM CCCNC(=O)C1(NCC(=O)Nc2cc(C(=O)[O-])ccc2C)CCCCC1 ZINC000829508615 601132880 /nfs/dbraw/zinc/13/28/80/601132880.db2.gz VYOCIHRSXQFZEP-UHFFFAOYSA-N -1 1 375.469 2.450 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000832915351 601199774 /nfs/dbraw/zinc/19/97/74/601199774.db2.gz INTGGNAEBAXPQC-UHFFFAOYSA-N -1 1 387.411 2.019 20 0 GEADMM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000826055289 601203251 /nfs/dbraw/zinc/20/32/51/601203251.db2.gz XVDSDFBJNCGTHZ-SCLBCKFNSA-N -1 1 390.461 2.080 20 0 GEADMM CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000738016672 601212949 /nfs/dbraw/zinc/21/29/49/601212949.db2.gz LPEBUJXSRMBLES-UHFFFAOYSA-N -1 1 396.440 2.402 20 0 GEADMM CCCCN1CCCC[C@H]1CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829395547 601214721 /nfs/dbraw/zinc/21/47/21/601214721.db2.gz HHTNYSDKQMNSSI-LBPRGKRZSA-N -1 1 390.527 2.388 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2n[nH]c(-c3ccccc3)n2)c1C ZINC000832868131 601234147 /nfs/dbraw/zinc/23/41/47/601234147.db2.gz FWDVZNIJNSEGLX-UHFFFAOYSA-N -1 1 386.433 2.265 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)c1C ZINC000832868131 601234148 /nfs/dbraw/zinc/23/41/48/601234148.db2.gz FWDVZNIJNSEGLX-UHFFFAOYSA-N -1 1 386.433 2.265 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCN(C)C)Cc2ccccn2)c1C ZINC000545545891 601239628 /nfs/dbraw/zinc/23/96/28/601239628.db2.gz QEHVMLSUKUBWPV-UHFFFAOYSA-N -1 1 391.493 2.149 20 0 GEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)Cc1ccc(Cl)nc1 ZINC000831919063 601241308 /nfs/dbraw/zinc/24/13/08/601241308.db2.gz SKVDYVUFNVZCFM-AWEZNQCLSA-N -1 1 380.828 2.314 20 0 GEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000826005464 601326801 /nfs/dbraw/zinc/32/68/01/601326801.db2.gz XKWBCOMMDASJDR-HNAYVOBHSA-N -1 1 390.480 2.050 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000833344519 601384479 /nfs/dbraw/zinc/38/44/79/601384479.db2.gz BDWBOJQLRIVQHT-UHFFFAOYSA-N -1 1 379.785 2.019 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000833345031 601384525 /nfs/dbraw/zinc/38/45/25/601384525.db2.gz OIFKWBONEOCEMY-UHFFFAOYSA-N -1 1 395.824 2.361 20 0 GEADMM CO[C@H](C)c1noc(CN2CCCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)n1 ZINC000831505720 601425092 /nfs/dbraw/zinc/42/50/92/601425092.db2.gz SYVXHXIZDFEVBO-CXAGYDPISA-N -1 1 392.431 2.250 20 0 GEADMM CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])N(C)C)cc1 ZINC000830239445 601466425 /nfs/dbraw/zinc/46/64/25/601466425.db2.gz XKLSCCOLWRAYLK-LJQANCHMSA-N -1 1 397.475 2.234 20 0 GEADMM O=C([O-])Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000833268487 601472156 /nfs/dbraw/zinc/47/21/56/601472156.db2.gz DMGCCVVKPMHMOV-SFHVURJKSA-N -1 1 395.459 2.033 20 0 GEADMM O=C([O-])c1nscc1S(=O)(=O)Nc1c2nsnc2ccc1Cl ZINC000833345729 601485517 /nfs/dbraw/zinc/48/55/17/601485517.db2.gz WKJJJLWQXFGXOZ-UHFFFAOYSA-N -1 1 376.828 2.300 20 0 GEADMM C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000828440540 601506369 /nfs/dbraw/zinc/50/63/69/601506369.db2.gz NAMGGPYMMFIOOC-MAUKXSAKSA-N -1 1 395.459 2.208 20 0 GEADMM CN1CCC[C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000830928096 601517356 /nfs/dbraw/zinc/51/73/56/601517356.db2.gz HDPADZKGSVWXBJ-CZUORRHYSA-N -1 1 386.539 2.305 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCCC[C@H]1C ZINC000828257633 601570840 /nfs/dbraw/zinc/57/08/40/601570840.db2.gz GZMSNLQSSHBPGO-MNOVXSKESA-N -1 1 376.425 2.204 20 0 GEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccccc1 ZINC000826039359 601627535 /nfs/dbraw/zinc/62/75/35/601627535.db2.gz RLLSRICYCYPNGN-SCLBCKFNSA-N -1 1 398.463 2.431 20 0 GEADMM Cc1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832860563 601679564 /nfs/dbraw/zinc/67/95/64/601679564.db2.gz AYRMLJMBQDFHAL-SFHVURJKSA-N -1 1 390.480 2.094 20 0 GEADMM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000833030997 601727945 /nfs/dbraw/zinc/72/79/45/601727945.db2.gz DSFSUBYEUHYHHZ-VIFPVBQESA-N -1 1 387.417 2.493 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000830954842 601735611 /nfs/dbraw/zinc/73/56/11/601735611.db2.gz NJGOSMDFCNGOAG-IBGZPJMESA-N -1 1 385.439 2.129 20 0 GEADMM O=C([O-])[C@H]1CCCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000462648130 601744537 /nfs/dbraw/zinc/74/45/37/601744537.db2.gz RHNVGZICFQDEQC-LLVKDONJSA-N -1 1 399.188 2.247 20 0 GEADMM O=C([O-])C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CCO1 ZINC000833218660 601765714 /nfs/dbraw/zinc/76/57/14/601765714.db2.gz ZIFLJZSEFNIYPC-SJORKVTESA-N -1 1 395.887 2.362 20 0 GEADMM C[C@@H](CS(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000827560037 601788755 /nfs/dbraw/zinc/78/87/55/601788755.db2.gz ZAZMJBCGMJVMTP-ZDUSSCGKSA-N -1 1 388.917 2.192 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C[C@H]1C(=O)[O-] ZINC000828451601 601818541 /nfs/dbraw/zinc/81/85/41/601818541.db2.gz UWUJQGVIEIVDRE-QKAVXHIFSA-N -1 1 381.432 2.217 20 0 GEADMM CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C(=O)[O-] ZINC000827092133 601825615 /nfs/dbraw/zinc/82/56/15/601825615.db2.gz WRBIZMPVABPWLU-IBGZPJMESA-N -1 1 383.448 2.254 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2cncn2)ccc1Cl ZINC000327051381 601827227 /nfs/dbraw/zinc/82/72/27/601827227.db2.gz YVALIPPWIDGMAO-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000761288338 601839246 /nfs/dbraw/zinc/83/92/46/601839246.db2.gz AYNLSPSXWYXEFD-UHFFFAOYSA-N -1 1 397.884 2.186 20 0 GEADMM O=C([O-])CCC1CCN(CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000662219082 601844221 /nfs/dbraw/zinc/84/42/21/601844221.db2.gz ZFIFTJZXVXFPFT-UHFFFAOYSA-N -1 1 384.480 2.124 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)NCCCN2CCN(c3ccccc3)CC2)c1 ZINC000666517105 601850171 /nfs/dbraw/zinc/85/01/71/601850171.db2.gz MBUKPLBCWDWMLC-UHFFFAOYSA-N -1 1 396.491 2.396 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000832241311 601850119 /nfs/dbraw/zinc/85/01/19/601850119.db2.gz NINIXAVPZRZHAR-YLJYHZDGSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000833294046 601855021 /nfs/dbraw/zinc/85/50/21/601855021.db2.gz LNLNOVKTTHGGTL-LLVKDONJSA-N -1 1 381.381 2.492 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1F ZINC000833140445 601857944 /nfs/dbraw/zinc/85/79/44/601857944.db2.gz PJZGPTKUMJGXBE-MRXNPFEDSA-N -1 1 399.422 2.243 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000740688432 601868079 /nfs/dbraw/zinc/86/80/79/601868079.db2.gz UTEMOWBNMCRUBZ-IBGZPJMESA-N -1 1 382.464 2.041 20 0 GEADMM CN1CCN(Cc2cccc(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)c2)CC1 ZINC000739736398 601904897 /nfs/dbraw/zinc/90/48/97/601904897.db2.gz MVOYTXFLMBZQDV-LJQANCHMSA-N -1 1 382.464 2.381 20 0 GEADMM C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826004806 601919785 /nfs/dbraw/zinc/91/97/85/601919785.db2.gz KCZURMAFXSUEKW-HIFRSBDPSA-N -1 1 375.494 2.107 20 0 GEADMM Cc1cccc(C)c1-n1nnnc1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826297211 607534229 /nfs/dbraw/zinc/53/42/29/607534229.db2.gz YXEMELGMTWLDSE-UHFFFAOYSA-N -1 1 379.453 2.288 20 0 GEADMM Cc1cccc(C)c1-n1nnnc1CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826297211 607534230 /nfs/dbraw/zinc/53/42/30/607534230.db2.gz YXEMELGMTWLDSE-UHFFFAOYSA-N -1 1 379.453 2.288 20 0 GEADMM O=C(CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000740367848 601930275 /nfs/dbraw/zinc/93/02/75/601930275.db2.gz GVUHHKBNHQEGJR-HOTGVXAUSA-N -1 1 389.452 2.028 20 0 GEADMM O=C(CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000740367847 601930316 /nfs/dbraw/zinc/93/03/16/601930316.db2.gz GVUHHKBNHQEGJR-CVEARBPZSA-N -1 1 389.452 2.028 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167935 601969178 /nfs/dbraw/zinc/96/91/78/601969178.db2.gz LYPLRIOMONFOIB-KSSFIOAISA-N -1 1 381.432 2.103 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167559 601969376 /nfs/dbraw/zinc/96/93/76/601969376.db2.gz IMAJMOIGYAREHD-DNVCBOLYSA-N -1 1 395.459 2.031 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398088361 601988747 /nfs/dbraw/zinc/98/87/47/601988747.db2.gz IQCYBHZLOAUFKS-KXBFYZLASA-N -1 1 388.489 2.467 20 0 GEADMM Nn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccc(Cl)c1 ZINC000826396694 607539887 /nfs/dbraw/zinc/53/98/87/607539887.db2.gz IBJOOYDUUKDVNY-UHFFFAOYSA-N -1 1 385.844 2.180 20 0 GEADMM Nn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1cccc(Cl)c1 ZINC000826396694 607539889 /nfs/dbraw/zinc/53/98/89/607539889.db2.gz IBJOOYDUUKDVNY-UHFFFAOYSA-N -1 1 385.844 2.180 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)NCC3(NC(=O)[O-])CCCCC3)cc2)CC1 ZINC000739736657 602030917 /nfs/dbraw/zinc/03/09/17/602030917.db2.gz HFKVWNGWNVLITQ-UHFFFAOYSA-N -1 1 388.512 2.134 20 0 GEADMM COc1cc(C(C)=O)ccc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000826177839 607541342 /nfs/dbraw/zinc/54/13/42/607541342.db2.gz XLKHSWQQLARDKX-UHFFFAOYSA-N -1 1 397.420 2.119 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)N3CC[C@](C)(C(=O)[O-])C3)CC2)c1 ZINC000262911253 602059213 /nfs/dbraw/zinc/05/92/13/602059213.db2.gz DQYNDTFBSQQNOQ-NRFANRHFSA-N -1 1 388.512 2.013 20 0 GEADMM C[C@@H](CNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915759 602096907 /nfs/dbraw/zinc/09/69/07/602096907.db2.gz IJESFGRNKDXKRI-DLBZAZTESA-N -1 1 388.512 2.465 20 0 GEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739640581 602105635 /nfs/dbraw/zinc/10/56/35/602105635.db2.gz HBPWLIAPEMPYCL-RHSMWYFYSA-N -1 1 380.464 2.460 20 0 GEADMM CN1CCc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc2C1=O ZINC000760365388 602118915 /nfs/dbraw/zinc/11/89/15/602118915.db2.gz PRVQMNBVVXYHRZ-UHFFFAOYSA-N -1 1 394.836 2.467 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737720075 602122755 /nfs/dbraw/zinc/12/27/55/602122755.db2.gz DOSRCNIAHPXOBK-DNVCBOLYSA-N -1 1 395.459 2.204 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167400 602136502 /nfs/dbraw/zinc/13/65/02/602136502.db2.gz GKTHESJBXDEWHZ-BEFAXECRSA-N -1 1 395.459 2.031 20 0 GEADMM CN(Cc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)C(=O)C(F)(F)F ZINC000825981650 607547095 /nfs/dbraw/zinc/54/70/95/607547095.db2.gz VZSXFBDYEVLZCO-UHFFFAOYSA-N -1 1 391.357 2.395 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)nc2)ccc1Br ZINC000165799299 602156282 /nfs/dbraw/zinc/15/62/82/602156282.db2.gz XOKYAOVEKCQEKU-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM CN(Cc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)C(=O)C(F)(F)F ZINC000825981650 607547096 /nfs/dbraw/zinc/54/70/96/607547096.db2.gz VZSXFBDYEVLZCO-UHFFFAOYSA-N -1 1 391.357 2.395 20 0 GEADMM CCOC(=O)c1cc(NCc2ccnc(-c3nnn[n-]3)c2)cc(C(=O)OCC)c1 ZINC000825560861 607547324 /nfs/dbraw/zinc/54/73/24/607547324.db2.gz WLCLXNVQLRAYLI-UHFFFAOYSA-N -1 1 396.407 2.227 20 0 GEADMM CCOC(=O)c1cc(NCc2ccnc(-c3nn[n-]n3)c2)cc(C(=O)OCC)c1 ZINC000825560861 607547326 /nfs/dbraw/zinc/54/73/26/607547326.db2.gz WLCLXNVQLRAYLI-UHFFFAOYSA-N -1 1 396.407 2.227 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)N2CCCC2)o1 ZINC000740118149 602186222 /nfs/dbraw/zinc/18/62/22/602186222.db2.gz PLNQUHWGJPQUQJ-HOTGVXAUSA-N -1 1 378.473 2.414 20 0 GEADMM O=C([O-])NCCc1ccc(CNC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000740670014 602187344 /nfs/dbraw/zinc/18/73/44/602187344.db2.gz GMICNTQJUDTNLF-UHFFFAOYSA-N -1 1 396.491 2.354 20 0 GEADMM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000739300255 602188120 /nfs/dbraw/zinc/18/81/20/602188120.db2.gz HTKICDMVXHXEER-GOSISDBHSA-N -1 1 375.429 2.164 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826340743 607551727 /nfs/dbraw/zinc/55/17/27/607551727.db2.gz JCTBOUACIIODIT-KGLIPLIRSA-N -1 1 382.424 2.057 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826340743 607551728 /nfs/dbraw/zinc/55/17/28/607551728.db2.gz JCTBOUACIIODIT-KGLIPLIRSA-N -1 1 382.424 2.057 20 0 GEADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832034373 602203532 /nfs/dbraw/zinc/20/35/32/602203532.db2.gz WMFCMPFTXLDTBK-UHFFFAOYSA-N -1 1 385.369 2.351 20 0 GEADMM C[C@H](CS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000827531999 602210772 /nfs/dbraw/zinc/21/07/72/602210772.db2.gz DPCNJPUVEXGTOJ-CQSZACIVSA-N -1 1 388.917 2.288 20 0 GEADMM O=C([O-])N1CCc2cc(NC(=O)CCNC(=O)c3n[nH]c4ccccc43)ccc21 ZINC000740356474 602258189 /nfs/dbraw/zinc/25/81/89/602258189.db2.gz IGIXLISZVCLOPB-UHFFFAOYSA-N -1 1 393.403 2.362 20 0 GEADMM COC(=O)CC(C)(C)NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC000831123725 602260463 /nfs/dbraw/zinc/26/04/63/602260463.db2.gz CCVZIFXGQXFKFP-JTQLQIEISA-N -1 1 382.482 2.441 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])c1OC ZINC000739943728 602266204 /nfs/dbraw/zinc/26/62/04/602266204.db2.gz ALKAMRUVDFUSAE-HOCLYGCPSA-N -1 1 393.484 2.173 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000738824999 602279743 /nfs/dbraw/zinc/27/97/43/602279743.db2.gz OKUNEPZIBLRTRC-INIZCTEOSA-N -1 1 376.457 2.205 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000738825000 602279770 /nfs/dbraw/zinc/27/97/70/602279770.db2.gz OKUNEPZIBLRTRC-MRXNPFEDSA-N -1 1 376.457 2.205 20 0 GEADMM CN(C)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739606949 602285379 /nfs/dbraw/zinc/28/53/79/602285379.db2.gz KPQITFXHKYCTEG-KRWDZBQOSA-N -1 1 396.447 2.085 20 0 GEADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000533624443 602321693 /nfs/dbraw/zinc/32/16/93/602321693.db2.gz SEDYUOSXMBZBOQ-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1F ZINC000831434764 602322530 /nfs/dbraw/zinc/32/25/30/602322530.db2.gz BNVKVXVUALGOTO-UHFFFAOYSA-N -1 1 388.760 2.160 20 0 GEADMM CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000312472786 602327211 /nfs/dbraw/zinc/32/72/11/602327211.db2.gz HAAIDMIEDXUSOQ-IBGZPJMESA-N -1 1 388.489 2.421 20 0 GEADMM CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000312472786 602327214 /nfs/dbraw/zinc/32/72/14/602327214.db2.gz HAAIDMIEDXUSOQ-IBGZPJMESA-N -1 1 388.489 2.421 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCCNC(=O)[O-])cc1 ZINC000740143434 602344239 /nfs/dbraw/zinc/34/42/39/602344239.db2.gz MBUSKUGKMHWXMM-UHFFFAOYSA-N -1 1 397.478 2.245 20 0 GEADMM O=C([O-])c1ccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)cc1F ZINC000833318870 602374906 /nfs/dbraw/zinc/37/49/06/602374906.db2.gz FYTXIXXADXJUFZ-UHFFFAOYSA-N -1 1 379.432 2.490 20 0 GEADMM COc1ccc(CNC(=O)[C@H](C)N2CCC(CN(C)C(=O)[O-])CC2)cc1OC ZINC000739901944 602385837 /nfs/dbraw/zinc/38/58/37/602385837.db2.gz CELUDWUTEZLOCL-AWEZNQCLSA-N -1 1 393.484 2.030 20 0 GEADMM CCC[C@@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739318646 602390011 /nfs/dbraw/zinc/39/00/11/602390011.db2.gz XDKXUAZZYYENCF-RVKKMQEKSA-N -1 1 377.485 2.348 20 0 GEADMM CN(C[C@H]1CCCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739638156 602399097 /nfs/dbraw/zinc/39/90/97/602399097.db2.gz VBDGVFNFQGXDKH-CRAIPNDOSA-N -1 1 393.459 2.047 20 0 GEADMM CN(C[C@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1)C(=O)[O-] ZINC000739637463 602399859 /nfs/dbraw/zinc/39/98/59/602399859.db2.gz PZZJHBNKQXOWMR-OAHLLOKOSA-N -1 1 384.480 2.374 20 0 GEADMM C[C@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738916249 602416135 /nfs/dbraw/zinc/41/61/35/602416135.db2.gz LJPANZGNHAVIPE-MRXNPFEDSA-N -1 1 388.512 2.465 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)cc1F ZINC000739907135 602449975 /nfs/dbraw/zinc/44/99/75/602449975.db2.gz FOEKZBXLTZHKLI-ZDUSSCGKSA-N -1 1 381.448 2.161 20 0 GEADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000738628421 602451938 /nfs/dbraw/zinc/45/19/38/602451938.db2.gz DPPPJHVRANQRNF-HZPDHXFCSA-N -1 1 392.475 2.160 20 0 GEADMM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000740667336 602455864 /nfs/dbraw/zinc/45/58/64/602455864.db2.gz GGBDERLDRDFUHF-UHFFFAOYSA-N -1 1 376.394 2.010 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000739003117 602460495 /nfs/dbraw/zinc/46/04/95/602460495.db2.gz RSHSJDWDNHVFDQ-HNAYVOBHSA-N -1 1 389.496 2.079 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@H]3CCCCN3C(=O)[O-])CC2)cc1 ZINC000739910100 602495927 /nfs/dbraw/zinc/49/59/27/602495927.db2.gz YKUHQBBNSCBVSO-GOSISDBHSA-N -1 1 375.469 2.262 20 0 GEADMM CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824005314 607571801 /nfs/dbraw/zinc/57/18/01/607571801.db2.gz NOIOOKYNIQRBKF-UHFFFAOYSA-N -1 1 393.812 2.246 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739850238 602528489 /nfs/dbraw/zinc/52/84/89/602528489.db2.gz JBAGVJXGLVBCES-LSDHHAIUSA-N -1 1 393.484 2.121 20 0 GEADMM C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824407231 607572918 /nfs/dbraw/zinc/57/29/18/607572918.db2.gz VUGLJRSOJLLKJY-LBPRGKRZSA-N -1 1 375.429 2.305 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000739229837 602567712 /nfs/dbraw/zinc/56/77/12/602567712.db2.gz FMQGSLNHEAJNPI-IAQYHMDHSA-N -1 1 375.429 2.020 20 0 GEADMM CN(CC1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1)C(=O)[O-] ZINC000739643031 602574302 /nfs/dbraw/zinc/57/43/02/602574302.db2.gz ZRMFEOIDQWZKJL-IBGZPJMESA-N -1 1 389.496 2.033 20 0 GEADMM CC(=O)c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000824029580 607574617 /nfs/dbraw/zinc/57/46/17/607574617.db2.gz OCPHFTZIMFPLBF-UHFFFAOYSA-N -1 1 378.797 2.490 20 0 GEADMM CC(=O)c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000824029580 607574619 /nfs/dbraw/zinc/57/46/19/607574619.db2.gz OCPHFTZIMFPLBF-UHFFFAOYSA-N -1 1 378.797 2.490 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)Nc3cccc(CNC(=O)[O-])c3)cc2)CC1 ZINC000739736887 602593222 /nfs/dbraw/zinc/59/32/22/602593222.db2.gz JDOHIHGYFIRXSD-UHFFFAOYSA-N -1 1 382.464 2.454 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000739453903 602594436 /nfs/dbraw/zinc/59/44/36/602594436.db2.gz AHDHHZJEIRJTCA-OAHLLOKOSA-N -1 1 375.473 2.092 20 0 GEADMM COCCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826162968 607575365 /nfs/dbraw/zinc/57/53/65/607575365.db2.gz AQEMGIUZTICTSA-UHFFFAOYSA-N -1 1 394.840 2.477 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000738822993 602607656 /nfs/dbraw/zinc/60/76/56/602607656.db2.gz DEUYZJACKDHUJJ-GOSISDBHSA-N -1 1 390.484 2.201 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000824641410 607576809 /nfs/dbraw/zinc/57/68/09/607576809.db2.gz VXGKNJIBSZORLX-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824641410 607576811 /nfs/dbraw/zinc/57/68/11/607576811.db2.gz VXGKNJIBSZORLX-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM O=C([O-])N1CC[C@@H](NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000740509043 602634989 /nfs/dbraw/zinc/63/49/89/602634989.db2.gz XNNUWJNZVCQONC-OAHLLOKOSA-N -1 1 384.440 2.113 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000739924729 602652637 /nfs/dbraw/zinc/65/26/37/602652637.db2.gz WCMGWXIGWRJLBV-UHFFFAOYSA-N -1 1 393.421 2.288 20 0 GEADMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000739031741 602729843 /nfs/dbraw/zinc/72/98/43/602729843.db2.gz CKLMNJYWJXCAQL-LLVKDONJSA-N -1 1 375.347 2.058 20 0 GEADMM O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492147 607582955 /nfs/dbraw/zinc/58/29/55/607582955.db2.gz VOIGLPBWWAEQLF-UHFFFAOYSA-N -1 1 399.354 2.086 20 0 GEADMM CCOCc1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825605042 607583490 /nfs/dbraw/zinc/58/34/90/607583490.db2.gz OUNRJNOFQSNZMZ-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM CN1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])cc2)CC1 ZINC000739737266 602751094 /nfs/dbraw/zinc/75/10/94/602751094.db2.gz WNXMFWRPJLUGCG-LJQANCHMSA-N -1 1 382.464 2.256 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])C[C@H]2C)N2CCCC2)c1 ZINC000739946378 602754250 /nfs/dbraw/zinc/75/42/50/602754250.db2.gz UAOMUEMZFYRSLG-CRAIPNDOSA-N -1 1 390.484 2.226 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000739929262 602798097 /nfs/dbraw/zinc/79/80/97/602798097.db2.gz CURWXJJBHVUBKN-WSMBLCCSSA-N -1 1 393.484 2.248 20 0 GEADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739129566 602818709 /nfs/dbraw/zinc/81/87/09/602818709.db2.gz CEPXCAMFAQWNGM-KSSFIOAISA-N -1 1 392.475 2.478 20 0 GEADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739129560 602818742 /nfs/dbraw/zinc/81/87/42/602818742.db2.gz CEPXCAMFAQWNGM-KBXCAEBGSA-N -1 1 392.475 2.478 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000826340820 607588112 /nfs/dbraw/zinc/58/81/12/607588112.db2.gz LZPDJQHCJSXZLA-ZDUSSCGKSA-N -1 1 392.423 2.063 20 0 GEADMM CCOc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000825649313 607590444 /nfs/dbraw/zinc/59/04/44/607590444.db2.gz OPJWDILKEUJNJP-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM Cc1ccc([C@H](CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])N2CCCC2)o1 ZINC000740119853 602880798 /nfs/dbraw/zinc/88/07/98/602880798.db2.gz ZOHAOTBWVDAECJ-CVEARBPZSA-N -1 1 379.457 2.000 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NC[C@H](c1cccs1)N(C)C ZINC000739978055 602885261 /nfs/dbraw/zinc/88/52/61/602885261.db2.gz MYQMCICBEOKKOK-CZUORRHYSA-N -1 1 377.466 2.485 20 0 GEADMM O=S(=O)(NCc1ccc(Cl)nc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492191 607593680 /nfs/dbraw/zinc/59/36/80/607593680.db2.gz XDESPLUSGQGQJE-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM O=S(=O)(NCc1ccc(Cl)nc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492191 607593682 /nfs/dbraw/zinc/59/36/82/607593682.db2.gz XDESPLUSGQGQJE-UHFFFAOYSA-N -1 1 385.236 2.047 20 0 GEADMM Cc1ccccc1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826307334 607594601 /nfs/dbraw/zinc/59/46/01/607594601.db2.gz DLRCJJCASBDCCS-UHFFFAOYSA-N -1 1 393.856 2.186 20 0 GEADMM Cc1ccccc1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826307334 607594602 /nfs/dbraw/zinc/59/46/02/607594602.db2.gz DLRCJJCASBDCCS-UHFFFAOYSA-N -1 1 393.856 2.186 20 0 GEADMM CC(C)[C@H](CNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824110291 602923539 /nfs/dbraw/zinc/92/35/39/602923539.db2.gz HHNMCRIFUGEZBA-WDSOQIARSA-N -1 1 390.528 2.020 20 0 GEADMM C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823676491 602965459 /nfs/dbraw/zinc/96/54/59/602965459.db2.gz CUCXWZBZKSOWOC-VQIMIIECSA-N -1 1 389.496 2.202 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(CC(F)(F)F)C1CC1 ZINC000826494603 607598375 /nfs/dbraw/zinc/59/83/75/607598375.db2.gz JEVCQHZFUYOVFT-UHFFFAOYSA-N -1 1 381.767 2.236 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1 ZINC000739906815 603017232 /nfs/dbraw/zinc/01/72/32/603017232.db2.gz NREYDCKTBQSFIB-ROUUACIJSA-N -1 1 375.469 2.166 20 0 GEADMM Cc1cccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826297860 607602159 /nfs/dbraw/zinc/60/21/59/607602159.db2.gz VLBIDVKGGIHZDV-UHFFFAOYSA-N -1 1 377.857 2.350 20 0 GEADMM Cc1cccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826297860 607602161 /nfs/dbraw/zinc/60/21/61/607602161.db2.gz VLBIDVKGGIHZDV-UHFFFAOYSA-N -1 1 377.857 2.350 20 0 GEADMM CC(C)CCN(CCC(C)C)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000738818477 603045100 /nfs/dbraw/zinc/04/51/00/603045100.db2.gz PDEFQMTXMGRBTA-UHFFFAOYSA-N -1 1 382.505 2.403 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cc2)n1 ZINC000740681596 603059881 /nfs/dbraw/zinc/05/98/81/603059881.db2.gz PKHQJFCQTAJTNA-CQSZACIVSA-N -1 1 393.403 2.429 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cc2)n[nH]1 ZINC000740681596 603059886 /nfs/dbraw/zinc/05/98/86/603059886.db2.gz PKHQJFCQTAJTNA-CQSZACIVSA-N -1 1 393.403 2.429 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cccc4c3OCO4)cc2)n1 ZINC000740681604 603059917 /nfs/dbraw/zinc/05/99/17/603059917.db2.gz PPQMFPDSVREXJF-UHFFFAOYSA-N -1 1 381.348 2.220 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cccc4c3OCO4)cc2)n[nH]1 ZINC000740681604 603059920 /nfs/dbraw/zinc/05/99/20/603059920.db2.gz PPQMFPDSVREXJF-UHFFFAOYSA-N -1 1 381.348 2.220 20 0 GEADMM CCc1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000827622072 603075314 /nfs/dbraw/zinc/07/53/14/603075314.db2.gz XJZBDHBESAHOOR-LBPRGKRZSA-N -1 1 379.804 2.324 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824157544 607606003 /nfs/dbraw/zinc/60/60/03/607606003.db2.gz JKTAQAZBYBTJMY-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824157544 607606005 /nfs/dbraw/zinc/60/60/05/607606005.db2.gz JKTAQAZBYBTJMY-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824257693 603250387 /nfs/dbraw/zinc/25/03/87/603250387.db2.gz UBFZPPYAUGHVAN-JQHSSLGASA-N -1 1 377.485 2.104 20 0 GEADMM C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000826056370 603270198 /nfs/dbraw/zinc/27/01/98/603270198.db2.gz CBCZREZGHQIYCO-KONPQCLYSA-N -1 1 377.485 2.247 20 0 GEADMM O=S(=O)(NCCOC1CCCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491744 607619333 /nfs/dbraw/zinc/61/93/33/607619333.db2.gz YLRJZBYTQQURIM-UHFFFAOYSA-N -1 1 383.449 2.024 20 0 GEADMM O=S(=O)(NCCOC1CCCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491744 607619335 /nfs/dbraw/zinc/61/93/35/607619335.db2.gz YLRJZBYTQQURIM-UHFFFAOYSA-N -1 1 383.449 2.024 20 0 GEADMM CCN(C1CCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825394357 607619499 /nfs/dbraw/zinc/61/94/99/607619499.db2.gz AANAOGDDGYJGCW-UHFFFAOYSA-N -1 1 375.376 2.449 20 0 GEADMM CN1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000826034882 607619628 /nfs/dbraw/zinc/61/96/28/607619628.db2.gz YEXCHYXJIFYTKZ-UHFFFAOYSA-N -1 1 388.428 2.041 20 0 GEADMM CSCC[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826228153 607620178 /nfs/dbraw/zinc/62/01/78/607620178.db2.gz GPYNVUNFVOSAOR-VIFPVBQESA-N -1 1 375.907 2.282 20 0 GEADMM CSCC[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826228153 607620179 /nfs/dbraw/zinc/62/01/79/607620179.db2.gz GPYNVUNFVOSAOR-VIFPVBQESA-N -1 1 375.907 2.282 20 0 GEADMM Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)sc1C ZINC000826323698 607620342 /nfs/dbraw/zinc/62/03/42/607620342.db2.gz ODGPICWMRFIVBY-UHFFFAOYSA-N -1 1 396.473 2.293 20 0 GEADMM C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739058840 603324464 /nfs/dbraw/zinc/32/44/64/603324464.db2.gz HQNFUOHPAUXNBG-HOTGVXAUSA-N -1 1 385.468 2.415 20 0 GEADMM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000740708149 603333396 /nfs/dbraw/zinc/33/33/96/603333396.db2.gz ZTLZABJIEDAGAN-UHFFFAOYSA-N -1 1 380.420 2.492 20 0 GEADMM CCN(Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c1)C(=O)[O-] ZINC000739443177 603346100 /nfs/dbraw/zinc/34/61/00/603346100.db2.gz PRVLKLFVNLZZNQ-UHFFFAOYSA-N -1 1 391.516 2.334 20 0 GEADMM CCN(Cc1cccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)c1)C(=O)[O-] ZINC000739443177 603346106 /nfs/dbraw/zinc/34/61/06/603346106.db2.gz PRVLKLFVNLZZNQ-UHFFFAOYSA-N -1 1 391.516 2.334 20 0 GEADMM CCN(Cc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1)C(=O)[O-] ZINC000739443113 603346474 /nfs/dbraw/zinc/34/64/74/603346474.db2.gz OKZXLJJRRHYJKM-MSOLQXFVSA-N -1 1 390.484 2.249 20 0 GEADMM C[C@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823669506 603426432 /nfs/dbraw/zinc/42/64/32/603426432.db2.gz OGCUDYYNTMZARV-QXAKKESOSA-N -1 1 389.496 2.345 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000826495835 607630334 /nfs/dbraw/zinc/63/03/34/607630334.db2.gz DBQMHKMDJTZGIO-CQSZACIVSA-N -1 1 389.412 2.237 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000826495835 607630335 /nfs/dbraw/zinc/63/03/35/607630335.db2.gz DBQMHKMDJTZGIO-CQSZACIVSA-N -1 1 389.412 2.237 20 0 GEADMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000831552232 603482177 /nfs/dbraw/zinc/48/21/77/603482177.db2.gz FAUQDJBJVJNHFR-VHSXEESVSA-N -1 1 388.540 2.300 20 0 GEADMM CCN(CC1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000827089661 603512264 /nfs/dbraw/zinc/51/22/64/603512264.db2.gz PEPXRUOHJQGNIZ-AWEZNQCLSA-N -1 1 376.457 2.435 20 0 GEADMM COc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1NC(=O)[O-] ZINC000829458778 603552204 /nfs/dbraw/zinc/55/22/04/603552204.db2.gz ABODOMUIUMUIMW-UHFFFAOYSA-N -1 1 378.429 2.114 20 0 GEADMM CCCN(CC(=O)NCCc1nc2ccccc2s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826898445 603557288 /nfs/dbraw/zinc/55/72/88/603557288.db2.gz VVXXOHTWBKIDOM-AWEZNQCLSA-N -1 1 390.509 2.419 20 0 GEADMM CCN(CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C1CCCCC1 ZINC000827156681 603591163 /nfs/dbraw/zinc/59/11/63/603591163.db2.gz KHOOLZHOUHTTQQ-AUUYWEPGSA-N -1 1 380.489 2.347 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN(C1CC1)C1CCCCC1)C2=O ZINC000832499535 603595463 /nfs/dbraw/zinc/59/54/63/603595463.db2.gz RHVKRWRFBSCCRV-XOBRGWDASA-N -1 1 392.500 2.489 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC(C)(C)NC(=O)[O-])c2C1 ZINC000824071382 603615786 /nfs/dbraw/zinc/61/57/86/603615786.db2.gz KDUPRXLGOZVDRO-CYBMUJFWSA-N -1 1 390.484 2.148 20 0 GEADMM C[C@H](NC(=O)[C@H](C)N(C)CC(C)(C)CNC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000825077415 603624256 /nfs/dbraw/zinc/62/42/56/603624256.db2.gz YUKGXFKGDRHWGE-KBPBESRZSA-N -1 1 393.484 2.249 20 0 GEADMM C[C@@H](NC(=O)[C@H](C)N(C)CC(C)(C)CNC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000825077416 603624555 /nfs/dbraw/zinc/62/45/55/603624555.db2.gz YUKGXFKGDRHWGE-KGLIPLIRSA-N -1 1 393.484 2.249 20 0 GEADMM COC(=O)C=Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000828646321 603631481 /nfs/dbraw/zinc/63/14/81/603631481.db2.gz HOAOFGBHSUGKQK-WTKPLQERSA-N -1 1 377.378 2.159 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000825194713 603718944 /nfs/dbraw/zinc/71/89/44/603718944.db2.gz QFLLDHCLEWSBBQ-LPHOPBHVSA-N -1 1 388.512 2.085 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488049 607647476 /nfs/dbraw/zinc/64/74/76/607647476.db2.gz HGDUUFFDVWHWLV-TZMCWYRMSA-N -1 1 389.868 2.430 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488049 607647477 /nfs/dbraw/zinc/64/74/77/607647477.db2.gz HGDUUFFDVWHWLV-TZMCWYRMSA-N -1 1 389.868 2.430 20 0 GEADMM CCC(CC)c1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)on1 ZINC000825113567 607648950 /nfs/dbraw/zinc/64/89/50/607648950.db2.gz BHGDQNKLNVBZDL-UHFFFAOYSA-N -1 1 394.432 2.376 20 0 GEADMM CCC(CC)c1cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)on1 ZINC000825113567 607648951 /nfs/dbraw/zinc/64/89/51/607648951.db2.gz BHGDQNKLNVBZDL-UHFFFAOYSA-N -1 1 394.432 2.376 20 0 GEADMM CC(=O)Nc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(F)c1 ZINC000823999479 607653873 /nfs/dbraw/zinc/65/38/73/607653873.db2.gz BZXOETRKCFAWEB-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM C[C@H](c1ccccc1)[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824640322 607658546 /nfs/dbraw/zinc/65/85/46/607658546.db2.gz GISPJOBYCKHYFJ-RYUDHWBXSA-N -1 1 375.429 2.476 20 0 GEADMM C[C@H](c1ccccc1)[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824640322 607658547 /nfs/dbraw/zinc/65/85/47/607658547.db2.gz GISPJOBYCKHYFJ-RYUDHWBXSA-N -1 1 375.429 2.476 20 0 GEADMM O=C([O-])N1CC[C@@](F)(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000831889069 603873320 /nfs/dbraw/zinc/87/33/20/603873320.db2.gz QVXZUBZJCBBQAR-IBGZPJMESA-N -1 1 387.415 2.270 20 0 GEADMM COc1cccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])N(C)C)c1 ZINC000829544449 603890733 /nfs/dbraw/zinc/89/07/33/603890733.db2.gz VYJNKMJSBJOZGO-YCXXCVGLSA-N -1 1 390.484 2.271 20 0 GEADMM CCCCCOC1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000825275995 607658817 /nfs/dbraw/zinc/65/88/17/607658817.db2.gz LRVVQTJRNORRMH-UHFFFAOYSA-N -1 1 385.877 2.100 20 0 GEADMM CCCCCOC1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000825275995 607658819 /nfs/dbraw/zinc/65/88/19/607658819.db2.gz LRVVQTJRNORRMH-UHFFFAOYSA-N -1 1 385.877 2.100 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3COc4ccccc43)cc2)n1 ZINC000832730588 603910708 /nfs/dbraw/zinc/91/07/08/603910708.db2.gz VPRLBUUGBGFLLO-AWEZNQCLSA-N -1 1 379.376 2.354 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3COc4ccccc43)cc2)n[nH]1 ZINC000832730588 603910711 /nfs/dbraw/zinc/91/07/11/603910711.db2.gz VPRLBUUGBGFLLO-AWEZNQCLSA-N -1 1 379.376 2.354 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccnc(C4CC4)n3)cc2)n1 ZINC000832729917 603913658 /nfs/dbraw/zinc/91/36/58/603913658.db2.gz KTSYWVIIDIDTNA-UHFFFAOYSA-N -1 1 379.380 2.159 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccnc(C4CC4)n3)cc2)n[nH]1 ZINC000832729917 603913659 /nfs/dbraw/zinc/91/36/59/603913659.db2.gz KTSYWVIIDIDTNA-UHFFFAOYSA-N -1 1 379.380 2.159 20 0 GEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000829834766 603934822 /nfs/dbraw/zinc/93/48/22/603934822.db2.gz VJQUCTLBTGELRR-UHFFFAOYSA-N -1 1 385.346 2.432 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)NCC(C)(C)NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000826059321 603959304 /nfs/dbraw/zinc/95/93/04/603959304.db2.gz SZHIXRULFHTTIH-GJZGRUSLSA-N -1 1 392.500 2.141 20 0 GEADMM CC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCC1 ZINC000824823042 607664639 /nfs/dbraw/zinc/66/46/39/607664639.db2.gz JOGDVKGEQUPINA-UHFFFAOYSA-N -1 1 375.376 2.354 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(CC1CCC1)CC(F)(F)F ZINC000826495244 607664908 /nfs/dbraw/zinc/66/49/08/607664908.db2.gz IGFSWIABODRDCH-UHFFFAOYSA-N -1 1 393.366 2.359 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CC3(NC(=O)[O-])CCC3)cc2)C[C@H](C)O1 ZINC000826059620 604091688 /nfs/dbraw/zinc/09/16/88/604091688.db2.gz XQSJNMPJJPGNCX-IYBDPMFKSA-N -1 1 389.496 2.492 20 0 GEADMM O=S(=O)(N[C@@H]1COc2c1cccc2Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489659 607671597 /nfs/dbraw/zinc/67/15/97/607671597.db2.gz WRHNVFUWJSRJOE-LLVKDONJSA-N -1 1 395.803 2.071 20 0 GEADMM O=S(=O)(N[C@@H]1COc2c1cccc2Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489659 607671599 /nfs/dbraw/zinc/67/15/99/607671599.db2.gz WRHNVFUWJSRJOE-LLVKDONJSA-N -1 1 395.803 2.071 20 0 GEADMM C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823677257 604101276 /nfs/dbraw/zinc/10/12/76/604101276.db2.gz JVFSXXKVOVOBAT-HZPDHXFCSA-N -1 1 389.496 2.491 20 0 GEADMM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000825402637 604118012 /nfs/dbraw/zinc/11/80/12/604118012.db2.gz NXFDXBYPXYBWJD-CQSZACIVSA-N -1 1 388.468 2.041 20 0 GEADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CO2 ZINC000826293897 607673943 /nfs/dbraw/zinc/67/39/43/607673943.db2.gz DLASQXIZYWDSRQ-GFCCVEGCSA-N -1 1 391.840 2.241 20 0 GEADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CO2 ZINC000826293897 607673944 /nfs/dbraw/zinc/67/39/44/607673944.db2.gz DLASQXIZYWDSRQ-GFCCVEGCSA-N -1 1 391.840 2.241 20 0 GEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825170499 607674784 /nfs/dbraw/zinc/67/47/84/607674784.db2.gz AILISWPSPYBYBG-UONOGXRCSA-N -1 1 397.476 2.220 20 0 GEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825170499 607674786 /nfs/dbraw/zinc/67/47/86/607674786.db2.gz AILISWPSPYBYBG-UONOGXRCSA-N -1 1 397.476 2.220 20 0 GEADMM O=S(=O)(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488845 607676161 /nfs/dbraw/zinc/67/61/61/607676161.db2.gz AHTACZFYYYNYIT-LLVKDONJSA-N -1 1 397.888 2.290 20 0 GEADMM O=S(=O)(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488845 607676162 /nfs/dbraw/zinc/67/61/62/607676162.db2.gz AHTACZFYYYNYIT-LLVKDONJSA-N -1 1 397.888 2.290 20 0 GEADMM COc1ccc(-c2noc(CN(C)C3CCN(C(=O)[O-])CC3)n2)c(OC)c1 ZINC000829250830 604171350 /nfs/dbraw/zinc/17/13/50/604171350.db2.gz PQVSFKKQSNHLEN-UHFFFAOYSA-N -1 1 376.413 2.328 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)NCc1nc(-c3ccc(F)cc3)n[nH]1)CC2 ZINC000831731408 604173542 /nfs/dbraw/zinc/17/35/42/604173542.db2.gz XGTPHHVQKSBRQZ-KGLIPLIRSA-N -1 1 388.403 2.037 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)NCc1n[nH]c(-c3ccc(F)cc3)n1)CC2 ZINC000831731408 604173548 /nfs/dbraw/zinc/17/35/48/604173548.db2.gz XGTPHHVQKSBRQZ-KGLIPLIRSA-N -1 1 388.403 2.037 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000825265840 604177101 /nfs/dbraw/zinc/17/71/01/604177101.db2.gz UKQXFQVDLMOEHL-KBPBESRZSA-N -1 1 383.876 2.203 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000825251686 604181751 /nfs/dbraw/zinc/18/17/51/604181751.db2.gz ADMIYBBAHZEAQE-IHRRRGAJSA-N -1 1 377.441 2.153 20 0 GEADMM Cc1cc(CC(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)[O-])c2)n[nH]1 ZINC000830031248 604189220 /nfs/dbraw/zinc/18/92/20/604189220.db2.gz UFGTUQHYCYTNDR-INIZCTEOSA-N -1 1 386.408 2.199 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000825256162 604255349 /nfs/dbraw/zinc/25/53/49/604255349.db2.gz UUXJAIKRWYEUTQ-UONOGXRCSA-N -1 1 383.876 2.203 20 0 GEADMM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000832051381 604282890 /nfs/dbraw/zinc/28/28/90/604282890.db2.gz VPJYDJPQWYRRMJ-KGLIPLIRSA-N -1 1 378.816 2.259 20 0 GEADMM COc1ccc(-c2n[nH]c(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)n2)cc1OC ZINC000738084716 604316567 /nfs/dbraw/zinc/31/65/67/604316567.db2.gz OLSUVBBUEZEGTL-UHFFFAOYSA-N -1 1 385.380 2.384 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3cccc(CN(C)C(=O)[O-])c3)CCO2)n[nH]1 ZINC000827619790 604342936 /nfs/dbraw/zinc/34/29/36/604342936.db2.gz BMDFRJZMWSXCBR-CQSZACIVSA-N -1 1 388.428 2.082 20 0 GEADMM CN1CCCC[C@@H]1C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000830940260 604344394 /nfs/dbraw/zinc/34/43/94/604344394.db2.gz DXUCFDGZONZZMZ-IAGOWNOFSA-N -1 1 379.888 2.094 20 0 GEADMM CN1CCN(c2cc(C(=O)N[C@H](c3ccccc3)C(C)(C)C(=O)[O-])ccn2)CC1 ZINC000830960445 604380229 /nfs/dbraw/zinc/38/02/29/604380229.db2.gz NLPCSGPWCXKYHG-LJQANCHMSA-N -1 1 396.491 2.415 20 0 GEADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC(CCN2CCOCC2)CC1 ZINC000833702557 604475661 /nfs/dbraw/zinc/47/56/61/604475661.db2.gz VCLOBRNQTHQKAR-IBGZPJMESA-N -1 1 390.480 2.033 20 0 GEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCCN(CC(F)(F)F)CC2)c1 ZINC000832052033 604478047 /nfs/dbraw/zinc/47/80/47/604478047.db2.gz ZCTXRYMGTOCRHU-HNNXBMFYSA-N -1 1 376.375 2.400 20 0 GEADMM CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000266752439 604500841 /nfs/dbraw/zinc/50/08/41/604500841.db2.gz DAJZWLIHKJFVMV-JTQLQIEISA-N -1 1 382.394 2.060 20 0 GEADMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833392921 604503261 /nfs/dbraw/zinc/50/32/61/604503261.db2.gz YPYZNUAEDLJWKV-INIZCTEOSA-N -1 1 378.388 2.173 20 0 GEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000828494368 604539523 /nfs/dbraw/zinc/53/95/23/604539523.db2.gz OLFVBKAEGCJLQP-DYVFJYSZSA-N -1 1 383.452 2.406 20 0 GEADMM Cc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cnn1-c1cc(C)ccc1C ZINC000630226283 604546585 /nfs/dbraw/zinc/54/65/85/604546585.db2.gz UXGFPFMBPSARGZ-MRXNPFEDSA-N -1 1 384.480 2.419 20 0 GEADMM Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000833756965 604619425 /nfs/dbraw/zinc/61/94/25/604619425.db2.gz SKQWACMMOLRCIT-AEFFLSMTSA-N -1 1 386.496 2.425 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC[NH+]3CCCCC3)cc2)c[nH]1 ZINC000833305826 604622565 /nfs/dbraw/zinc/62/25/65/604622565.db2.gz BQRBZSUSBWIIMY-UHFFFAOYSA-N -1 1 393.465 2.378 20 0 GEADMM Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n[nH]1 ZINC000832908422 604673300 /nfs/dbraw/zinc/67/33/00/604673300.db2.gz KFPADNDXIIEHKN-OAHLLOKOSA-N -1 1 383.452 2.214 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])N1CCCC1 ZINC000832594034 604674020 /nfs/dbraw/zinc/67/40/20/604674020.db2.gz BLPAMVYGOGFXIN-WBVHZDCISA-N -1 1 375.469 2.481 20 0 GEADMM CN(CCOC(C)(C)C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000830789194 604677190 /nfs/dbraw/zinc/67/71/90/604677190.db2.gz ITSXVUQXCOTVKK-QGZVFWFLSA-N -1 1 375.469 2.468 20 0 GEADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@@H](n2ccnc2)C1 ZINC000830905603 604753545 /nfs/dbraw/zinc/75/35/45/604753545.db2.gz FFLZMRZTGLXBSV-VQIMIIECSA-N -1 1 395.463 2.255 20 0 GEADMM O=C([O-])[C@@H](O)C1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000833770254 604761810 /nfs/dbraw/zinc/76/18/10/604761810.db2.gz BDZJFAAFCZWSSO-INIZCTEOSA-N -1 1 382.254 2.382 20 0 GEADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000825485479 604771753 /nfs/dbraw/zinc/77/17/53/604771753.db2.gz ORXGKHYPOUTENW-LBPRGKRZSA-N -1 1 389.374 2.101 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n2)cc1 ZINC000830159669 604811070 /nfs/dbraw/zinc/81/10/70/604811070.db2.gz GWMKCJXGIOAOLD-CQSZACIVSA-N -1 1 389.481 2.473 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1cc(C)c(F)cc1F ZINC000826294960 607716325 /nfs/dbraw/zinc/71/63/25/607716325.db2.gz LCFBLCYFSWRQGU-UHFFFAOYSA-N -1 1 396.357 2.355 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nc2ccccc2nc1C ZINC000826294970 607716497 /nfs/dbraw/zinc/71/64/97/607716497.db2.gz LLSKBHBKVJGVSV-UHFFFAOYSA-N -1 1 384.403 2.185 20 0 GEADMM CCc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825722444 607718658 /nfs/dbraw/zinc/71/86/58/607718658.db2.gz GNOMWVXNDUAAFH-UHFFFAOYSA-N -1 1 389.419 2.086 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c(OC)c1C(=O)[O-] ZINC000833734525 604859615 /nfs/dbraw/zinc/85/96/15/604859615.db2.gz KZUHAFXBZOHXGZ-UHFFFAOYSA-N -1 1 377.378 2.079 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)nc2)c(OC)c1C(=O)[O-] ZINC000833734777 604861934 /nfs/dbraw/zinc/86/19/34/604861934.db2.gz VZYRGDWUJQWZJH-UHFFFAOYSA-N -1 1 396.421 2.385 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH+]c(C)cn3c2)c(OC)c1C(=O)[O-] ZINC000833734497 604862167 /nfs/dbraw/zinc/86/21/67/604862167.db2.gz IEGIPQAYWSSZNL-UHFFFAOYSA-N -1 1 391.405 2.159 20 0 GEADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c(C)c1 ZINC000826291213 607719288 /nfs/dbraw/zinc/71/92/88/607719288.db2.gz UUVYIPOZIXQRFX-UHFFFAOYSA-N -1 1 389.419 2.141 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000833557247 604865584 /nfs/dbraw/zinc/86/55/84/604865584.db2.gz FAEKPACHRKGBCJ-XCLFUZPHSA-N -1 1 395.500 2.035 20 0 GEADMM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC000833489679 604868985 /nfs/dbraw/zinc/86/89/85/604868985.db2.gz RNALBMLIHWKQEL-LBPRGKRZSA-N -1 1 387.440 2.277 20 0 GEADMM Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1C ZINC000833752293 604897949 /nfs/dbraw/zinc/89/79/49/604897949.db2.gz PIVURWILIZKTIS-HNNXBMFYSA-N -1 1 399.476 2.116 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CCCN(C(=O)[O-])C3)n2)cc1 ZINC000830159699 604918154 /nfs/dbraw/zinc/91/81/54/604918154.db2.gz HPORMOBYQIIQDH-ZDUSSCGKSA-N -1 1 375.454 2.131 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000828448782 604927584 /nfs/dbraw/zinc/92/75/84/604927584.db2.gz GVFHQLRKTIRKLU-STQMWFEESA-N -1 1 399.875 2.424 20 0 GEADMM CCCN(C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826884894 604929701 /nfs/dbraw/zinc/92/97/01/604929701.db2.gz YHMWMPPAHADKAA-LLVKDONJSA-N -1 1 376.438 2.229 20 0 GEADMM CC(C)N(CCN(C)C)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000833497621 604930330 /nfs/dbraw/zinc/93/03/30/604930330.db2.gz JJSPICJVVODARI-UHFFFAOYSA-N -1 1 393.303 2.108 20 0 GEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)NC2CCN(C(=O)[O-])CC2)CC1 ZINC000833549902 604933270 /nfs/dbraw/zinc/93/32/70/604933270.db2.gz ICJCSNBBZHVRCT-CQSZACIVSA-N -1 1 375.473 2.049 20 0 GEADMM CC[C@@H]1CO[C@H](C)CN1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000829160755 604962233 /nfs/dbraw/zinc/96/22/33/604962233.db2.gz KCAABFCKSLPWAU-ZYHUDNBSSA-N -1 1 398.481 2.369 20 0 GEADMM CC[C@H]1CO[C@@H](C)CN1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000829160753 604962341 /nfs/dbraw/zinc/96/23/41/604962341.db2.gz KCAABFCKSLPWAU-JQWIXIFHSA-N -1 1 398.481 2.369 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3CNC(=O)[O-])n2)cc1 ZINC000830159710 604968387 /nfs/dbraw/zinc/96/83/87/604968387.db2.gz HVLDMWOLOJAGOF-CYBMUJFWSA-N -1 1 375.454 2.131 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c(Cl)c1 ZINC000435138899 605009643 /nfs/dbraw/zinc/00/96/43/605009643.db2.gz ULSJJAXDPOBAPI-GFCCVEGCSA-N -1 1 394.836 2.443 20 0 GEADMM COCC1(C)CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000833722811 605020276 /nfs/dbraw/zinc/02/02/76/605020276.db2.gz KWESQKCZEJIEHX-ZDUSSCGKSA-N -1 1 392.452 2.247 20 0 GEADMM CCN1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000833658383 605041495 /nfs/dbraw/zinc/04/14/95/605041495.db2.gz SEHYYZXNGFGSFD-BXKDBHETSA-N -1 1 380.388 2.022 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCSCc1ccccc1F ZINC000833627472 605044685 /nfs/dbraw/zinc/04/46/85/605044685.db2.gz XXVSRDIDQFMFTB-AWEZNQCLSA-N -1 1 383.489 2.249 20 0 GEADMM C[C@@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)C1 ZINC000833612621 605051067 /nfs/dbraw/zinc/05/10/67/605051067.db2.gz AVYFYKLBUCNSPH-CQSZACIVSA-N -1 1 392.481 2.000 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000833621940 605058347 /nfs/dbraw/zinc/05/83/47/605058347.db2.gz CDPHOSBQGFAKSD-OAHLLOKOSA-N -1 1 377.460 2.339 20 0 GEADMM CC(C)(C)Cc1nc(-c2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc2)no1 ZINC000833431138 605080408 /nfs/dbraw/zinc/08/04/08/605080408.db2.gz IEHWOODLUFFBNZ-HNNXBMFYSA-N -1 1 397.435 2.474 20 0 GEADMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000833597962 605088362 /nfs/dbraw/zinc/08/83/62/605088362.db2.gz UGXNTHJBDXYNKS-CABCVRRESA-N -1 1 397.516 2.125 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000833767411 605093203 /nfs/dbraw/zinc/09/32/03/605093203.db2.gz DSIIHRXPJPSVBV-KBPBESRZSA-N -1 1 397.218 2.022 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833539809 605101385 /nfs/dbraw/zinc/10/13/85/605101385.db2.gz HUPMGKZGAQSIBM-QWHCGFSZSA-N -1 1 399.285 2.224 20 0 GEADMM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000833480914 605119262 /nfs/dbraw/zinc/11/92/62/605119262.db2.gz KTLXAMJIDDNHCD-RHSMWYFYSA-N -1 1 375.469 2.080 20 0 GEADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825203504 607735870 /nfs/dbraw/zinc/73/58/70/607735870.db2.gz NGTYAFFOEOTQSQ-WPRPVWTQSA-N -1 1 381.893 2.426 20 0 GEADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825203504 607735871 /nfs/dbraw/zinc/73/58/71/607735871.db2.gz NGTYAFFOEOTQSQ-WPRPVWTQSA-N -1 1 381.893 2.426 20 0 GEADMM C[C@@H](C(=O)NCC1(C(=O)[O-])CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000647766108 605133429 /nfs/dbraw/zinc/13/34/29/605133429.db2.gz ITZGROXLBWXUPA-KRWDZBQOSA-N -1 1 388.508 2.327 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000833627660 605137589 /nfs/dbraw/zinc/13/75/89/605137589.db2.gz YKLLKDGJFHBUGU-CYBMUJFWSA-N -1 1 376.432 2.040 20 0 GEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000736417051 605153237 /nfs/dbraw/zinc/15/32/37/605153237.db2.gz SACAPSMCYZOCBM-HNNXBMFYSA-N -1 1 375.429 2.020 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000833620666 605164984 /nfs/dbraw/zinc/16/49/84/605164984.db2.gz LXQOZDHCVRPCLZ-ZDUSSCGKSA-N -1 1 395.297 2.488 20 0 GEADMM CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833500285 605191156 /nfs/dbraw/zinc/19/11/56/605191156.db2.gz 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Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826339192 607745186 /nfs/dbraw/zinc/74/51/86/607745186.db2.gz VFWIMINIPIEIEV-MRVPVSSYSA-N -1 1 396.860 2.207 20 0 GEADMM Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826339192 607745187 /nfs/dbraw/zinc/74/51/87/607745187.db2.gz VFWIMINIPIEIEV-MRVPVSSYSA-N -1 1 396.860 2.207 20 0 GEADMM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000545125174 605288351 /nfs/dbraw/zinc/28/83/51/605288351.db2.gz HTGXSJPPXRIZRZ-UHFFFAOYSA-N -1 1 390.339 2.451 20 0 GEADMM CC[C@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC[C@H]1NC(=O)[O-] ZINC000833849561 605315191 /nfs/dbraw/zinc/31/51/91/605315191.db2.gz SFENQQZNMURART-WMLDXEAASA-N -1 1 380.464 2.465 20 0 GEADMM CC[C@@H](CSc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825127083 607747813 /nfs/dbraw/zinc/74/78/13/607747813.db2.gz LSEAMMWERDROLQ-LBPRGKRZSA-N -1 1 390.494 2.111 20 0 GEADMM CC[C@@H](CSc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825127083 607747814 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GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)n1 ZINC000832730557 605439835 /nfs/dbraw/zinc/43/98/35/605439835.db2.gz VFOWFSPPHQLFGW-UHFFFAOYSA-N -1 1 391.391 2.228 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)n[nH]1 ZINC000832730557 605439838 /nfs/dbraw/zinc/43/98/38/605439838.db2.gz VFOWFSPPHQLFGW-UHFFFAOYSA-N -1 1 391.391 2.228 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C[C@@H]21 ZINC000834177774 605442556 /nfs/dbraw/zinc/44/25/56/605442556.db2.gz CNIURCQZUQUNNX-MELADBBJSA-N -1 1 386.408 2.333 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccnn3C3CCCC3)C[C@H]21 ZINC000834187682 605458725 /nfs/dbraw/zinc/45/87/25/605458725.db2.gz LHKPDUUGRSHFAN-FVQBIDKESA-N -1 1 375.473 2.305 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000830084525 605474149 /nfs/dbraw/zinc/47/41/49/605474149.db2.gz JNKMPDARUBKCLJ-CVEARBPZSA-N -1 1 389.500 2.399 20 0 GEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000834239374 605564632 /nfs/dbraw/zinc/56/46/32/605564632.db2.gz BECKRBJMEWVGBW-HNNXBMFYSA-N -1 1 388.493 2.406 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC2)cc1 ZINC000829362946 605605177 /nfs/dbraw/zinc/60/51/77/605605177.db2.gz QCRXABKXXPXSRD-SFHVURJKSA-N -1 1 377.485 2.412 20 0 GEADMM COC(=O)[C@@H]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@@H](C(=O)[O-])C1 ZINC000833707230 605686004 /nfs/dbraw/zinc/68/60/04/605686004.db2.gz KJTGOWRLRIKSDZ-XNRPHZJLSA-N -1 1 380.828 2.171 20 0 GEADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833794805 605821352 /nfs/dbraw/zinc/82/13/52/605821352.db2.gz NNYYZBOWAFZIST-UONOGXRCSA-N -1 1 378.477 2.253 20 0 GEADMM O=C([O-])N1CCC[C@@H](CCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834098961 605822974 /nfs/dbraw/zinc/82/29/74/605822974.db2.gz MKAGGCHOSSJMSG-DZGCQCFKSA-N -1 1 390.488 2.351 20 0 GEADMM CC(C)N1CCO[C@@H](CN2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)C1 ZINC000833501509 605831745 /nfs/dbraw/zinc/83/17/45/605831745.db2.gz AOGQTTKDCGMPMK-SFHVURJKSA-N -1 1 395.931 2.265 20 0 GEADMM CCCN(C(=O)CSc1n[nH]c(=S)s1)C1CCN(C(=O)[O-])CC1 ZINC000826863133 605883103 /nfs/dbraw/zinc/88/31/03/605883103.db2.gz VQTZKMSRKYDHSD-UHFFFAOYSA-N -1 1 376.529 2.300 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833788997 605892205 /nfs/dbraw/zinc/89/22/05/605892205.db2.gz FJZWTCCEEMNIJQ-AWEZNQCLSA-N -1 1 389.452 2.251 20 0 GEADMM C[C@H]1CCc2c(sc3nc(CCN4CC[C@H](NC(=O)[O-])C4)nc(N)c32)C1 ZINC000739111603 605936920 /nfs/dbraw/zinc/93/69/20/605936920.db2.gz BBMYZBBEJSJMCS-QWRGUYRKSA-N -1 1 375.498 2.283 20 0 GEADMM Cn1ccnc1-c1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[O-])[nH]n1 ZINC000833955318 605959625 /nfs/dbraw/zinc/95/96/25/605959625.db2.gz QIVOSKAYMDQGMW-HNNXBMFYSA-N -1 1 393.407 2.109 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cn1 ZINC000834275713 606065544 /nfs/dbraw/zinc/06/55/44/606065544.db2.gz GJVUZJTVINSANL-CYBMUJFWSA-N -1 1 393.407 2.371 20 0 GEADMM Cc1cc(S(=O)(=O)Nc2ccc(OCCNC(=O)[O-])cc2)cnc1Cl ZINC000833900882 606079488 /nfs/dbraw/zinc/07/94/88/606079488.db2.gz FJUHKMYCPMZQPI-UHFFFAOYSA-N -1 1 385.829 2.491 20 0 GEADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821457566 606128448 /nfs/dbraw/zinc/12/84/48/606128448.db2.gz XGSZCPANVJTPGX-NEPJUHHUSA-N -1 1 394.526 2.483 20 0 GEADMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821770791 606132314 /nfs/dbraw/zinc/13/23/14/606132314.db2.gz WVPPIZZGPTZXQN-SECBINFHSA-N -1 1 388.405 2.374 20 0 GEADMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821770791 606132316 /nfs/dbraw/zinc/13/23/16/606132316.db2.gz WVPPIZZGPTZXQN-SECBINFHSA-N -1 1 388.405 2.374 20 0 GEADMM Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822356215 606134160 /nfs/dbraw/zinc/13/41/60/606134160.db2.gz NKOOLNKXOWSSFH-GFCCVEGCSA-N -1 1 385.449 2.141 20 0 GEADMM Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822356215 606134162 /nfs/dbraw/zinc/13/41/62/606134162.db2.gz NKOOLNKXOWSSFH-GFCCVEGCSA-N -1 1 385.449 2.141 20 0 GEADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821832043 606136753 /nfs/dbraw/zinc/13/67/53/606136753.db2.gz XKTRACSLUTZECK-UHFFFAOYSA-N -1 1 393.812 2.386 20 0 GEADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821832043 606136754 /nfs/dbraw/zinc/13/67/54/606136754.db2.gz XKTRACSLUTZECK-UHFFFAOYSA-N -1 1 393.812 2.386 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1cccc(F)c1 ZINC000820727127 606144036 /nfs/dbraw/zinc/14/40/36/606144036.db2.gz HCNGNMMZWDURRC-BDJLRTHQSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1cccc(F)c1 ZINC000820727127 606144037 /nfs/dbraw/zinc/14/40/37/606144037.db2.gz HCNGNMMZWDURRC-BDJLRTHQSA-N -1 1 388.428 2.173 20 0 GEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820020405 606160478 /nfs/dbraw/zinc/16/04/78/606160478.db2.gz FUPNKZFWRHWOLD-OAHLLOKOSA-N -1 1 386.435 2.470 20 0 GEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820020405 606160479 /nfs/dbraw/zinc/16/04/79/606160479.db2.gz FUPNKZFWRHWOLD-OAHLLOKOSA-N -1 1 386.435 2.470 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)n1 ZINC000822619686 606166414 /nfs/dbraw/zinc/16/64/14/606166414.db2.gz FPWRBCXJISRVSO-UHFFFAOYSA-N -1 1 398.427 2.128 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)n1 ZINC000822619686 606166416 /nfs/dbraw/zinc/16/64/16/606166416.db2.gz FPWRBCXJISRVSO-UHFFFAOYSA-N -1 1 398.427 2.128 20 0 GEADMM CC[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820908953 606168400 /nfs/dbraw/zinc/16/84/00/606168400.db2.gz SFNKJPCHETZPPV-SNVBAGLBSA-N -1 1 390.835 2.233 20 0 GEADMM CC[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820908953 606168402 /nfs/dbraw/zinc/16/84/02/606168402.db2.gz SFNKJPCHETZPPV-SNVBAGLBSA-N -1 1 390.835 2.233 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccc2c[nH]nc2c1 ZINC000822010144 606169629 /nfs/dbraw/zinc/16/96/29/606169629.db2.gz PMTFFJLFCZTUJT-UHFFFAOYSA-N -1 1 393.407 2.136 20 0 GEADMM CC1CCC(OC2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)CC1 ZINC000820690469 606170722 /nfs/dbraw/zinc/17/07/22/606170722.db2.gz MNFNQKGXSFMOHC-UHFFFAOYSA-N -1 1 388.476 2.192 20 0 GEADMM CC1CCC(OC2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)CC1 ZINC000820690469 606170723 /nfs/dbraw/zinc/17/07/23/606170723.db2.gz MNFNQKGXSFMOHC-UHFFFAOYSA-N -1 1 388.476 2.192 20 0 GEADMM CC(=O)N[C@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(C)cc1 ZINC000819802557 606195405 /nfs/dbraw/zinc/19/54/05/606195405.db2.gz FLTBNPMRHMOJRG-OAHLLOKOSA-N -1 1 380.408 2.087 20 0 GEADMM O=S(=O)(CC1CC1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823557060 606203310 /nfs/dbraw/zinc/20/33/10/606203310.db2.gz FQURGPCBWVHNPK-UHFFFAOYSA-N -1 1 375.479 2.425 20 0 GEADMM COc1cc(CCC(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc(OC)c1 ZINC000821711757 606237922 /nfs/dbraw/zinc/23/79/22/606237922.db2.gz ABZXYQGTIBALTB-UHFFFAOYSA-N -1 1 388.453 2.244 20 0 GEADMM COc1cc(CCC(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc(OC)c1 ZINC000821711757 606237924 /nfs/dbraw/zinc/23/79/24/606237924.db2.gz ABZXYQGTIBALTB-UHFFFAOYSA-N -1 1 388.453 2.244 20 0 GEADMM CC(C)N1CC[C@@H](Nc2ccccc2Oc2ncccc2-c2nn[n-]n2)C1=O ZINC000820128635 606246076 /nfs/dbraw/zinc/24/60/76/606246076.db2.gz RRBFMPCMNJGTRH-OAHLLOKOSA-N -1 1 379.424 2.475 20 0 GEADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933620 606292378 /nfs/dbraw/zinc/29/23/78/606292378.db2.gz XOMCDAZGEKWZBQ-RYUDHWBXSA-N -1 1 388.428 2.204 20 0 GEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1Cc1ccccc1 ZINC000822020875 606292990 /nfs/dbraw/zinc/29/29/90/606292990.db2.gz LWTUFMSBPLEPHH-UHFFFAOYSA-N -1 1 375.392 2.378 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-n2cc[nH]c2=S)cc1 ZINC000823294760 606298669 /nfs/dbraw/zinc/29/86/69/606298669.db2.gz QOVXJKHEHLOVBD-UHFFFAOYSA-N -1 1 379.405 2.299 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccn(CC(F)F)n1 ZINC000822542586 606367185 /nfs/dbraw/zinc/36/71/85/606367185.db2.gz ZZQORZOCMJNUKR-UHFFFAOYSA-N -1 1 388.338 2.273 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccn(CC(F)F)n1 ZINC000822542586 606367186 /nfs/dbraw/zinc/36/71/86/606367186.db2.gz ZZQORZOCMJNUKR-UHFFFAOYSA-N -1 1 388.338 2.273 20 0 GEADMM CC(=O)Nc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1 ZINC000819818226 606391489 /nfs/dbraw/zinc/39/14/89/606391489.db2.gz SLCAHHNKMRTYHB-MDWZMJQESA-N -1 1 380.389 2.231 20 0 GEADMM CN(CC(=O)Nc1ccccc1Br)c1cccc(-c2nnn[n-]2)n1 ZINC000821593926 606439847 /nfs/dbraw/zinc/43/98/47/606439847.db2.gz QJKLGSJUTQWSLT-UHFFFAOYSA-N -1 1 388.229 2.099 20 0 GEADMM CN(CC(=O)Nc1ccccc1Br)c1cccc(-c2nn[n-]n2)n1 ZINC000821593926 606439849 /nfs/dbraw/zinc/43/98/49/606439849.db2.gz QJKLGSJUTQWSLT-UHFFFAOYSA-N -1 1 388.229 2.099 20 0 GEADMM CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821164719 606440113 /nfs/dbraw/zinc/44/01/13/606440113.db2.gz JSKSBIYMNFNFIS-UHFFFAOYSA-N -1 1 389.822 2.197 20 0 GEADMM CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821164719 606440115 /nfs/dbraw/zinc/44/01/15/606440115.db2.gz JSKSBIYMNFNFIS-UHFFFAOYSA-N -1 1 389.822 2.197 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1cccc(F)c1 ZINC000821641132 606464855 /nfs/dbraw/zinc/46/48/55/606464855.db2.gz WSDIGAYRFZXVRG-LLVKDONJSA-N -1 1 390.806 2.498 20 0 GEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1cccc(F)c1 ZINC000821641132 606464857 /nfs/dbraw/zinc/46/48/57/606464857.db2.gz WSDIGAYRFZXVRG-LLVKDONJSA-N -1 1 390.806 2.498 20 0 GEADMM CS(=O)(=O)Cc1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821932446 606475176 /nfs/dbraw/zinc/47/51/76/606475176.db2.gz NBHKHRCUVMWHIN-UHFFFAOYSA-N -1 1 384.874 2.133 20 0 GEADMM CS(=O)(=O)Cc1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821932446 606475178 /nfs/dbraw/zinc/47/51/78/606475178.db2.gz NBHKHRCUVMWHIN-UHFFFAOYSA-N -1 1 384.874 2.133 20 0 GEADMM O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823261659 606497573 /nfs/dbraw/zinc/49/75/73/606497573.db2.gz PGUATMHESMRLRZ-UHFFFAOYSA-N -1 1 396.476 2.097 20 0 GEADMM O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823261659 606497574 /nfs/dbraw/zinc/49/75/74/606497574.db2.gz PGUATMHESMRLRZ-UHFFFAOYSA-N -1 1 396.476 2.097 20 0 GEADMM O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823366958 606504172 /nfs/dbraw/zinc/50/41/72/606504172.db2.gz BASJMQGJUBAZDI-LLVKDONJSA-N -1 1 386.462 2.082 20 0 GEADMM O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823366958 606504173 /nfs/dbraw/zinc/50/41/73/606504173.db2.gz BASJMQGJUBAZDI-LLVKDONJSA-N -1 1 386.462 2.082 20 0 GEADMM Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000822226395 606524791 /nfs/dbraw/zinc/52/47/91/606524791.db2.gz QKKYRDGNJHMYFL-UHFFFAOYSA-N -1 1 397.414 2.142 20 0 GEADMM CC1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)CC1 ZINC000820715364 606527566 /nfs/dbraw/zinc/52/75/66/606527566.db2.gz ASANKIWRLHXVPO-UHFFFAOYSA-N -1 1 388.497 2.039 20 0 GEADMM CC1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC000820715364 606527568 /nfs/dbraw/zinc/52/75/68/606527568.db2.gz ASANKIWRLHXVPO-UHFFFAOYSA-N -1 1 388.497 2.039 20 0 GEADMM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1=O ZINC000820882304 606532191 /nfs/dbraw/zinc/53/21/91/606532191.db2.gz OTXCJWAXCDYEJB-NWDGAFQWSA-N -1 1 394.439 2.095 20 0 GEADMM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1=O ZINC000820882304 606532193 /nfs/dbraw/zinc/53/21/93/606532193.db2.gz OTXCJWAXCDYEJB-NWDGAFQWSA-N -1 1 394.439 2.095 20 0 GEADMM O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823140715 606533729 /nfs/dbraw/zinc/53/37/29/606533729.db2.gz YEEAOCWYLWKHDO-CYBMUJFWSA-N -1 1 382.449 2.022 20 0 GEADMM O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823140715 606533730 /nfs/dbraw/zinc/53/37/30/606533730.db2.gz YEEAOCWYLWKHDO-CYBMUJFWSA-N -1 1 382.449 2.022 20 0 GEADMM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821770398 606538069 /nfs/dbraw/zinc/53/80/69/606538069.db2.gz SAYKBIKACYVHIB-UHFFFAOYSA-N -1 1 398.448 2.425 20 0 GEADMM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821770398 606538071 /nfs/dbraw/zinc/53/80/71/606538071.db2.gz SAYKBIKACYVHIB-UHFFFAOYSA-N -1 1 398.448 2.425 20 0 GEADMM Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822242572 606540132 /nfs/dbraw/zinc/54/01/32/606540132.db2.gz PYAMMRRXQVQSQN-UHFFFAOYSA-N -1 1 376.829 2.259 20 0 GEADMM Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000822242572 606540134 /nfs/dbraw/zinc/54/01/34/606540134.db2.gz PYAMMRRXQVQSQN-UHFFFAOYSA-N -1 1 376.829 2.259 20 0 GEADMM CN(C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000821596723 606552113 /nfs/dbraw/zinc/55/21/13/606552113.db2.gz SKTVEQVYQZCUEW-NSHDSACASA-N -1 1 392.485 2.257 20 0 GEADMM CN(C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000821596723 606552114 /nfs/dbraw/zinc/55/21/14/606552114.db2.gz SKTVEQVYQZCUEW-NSHDSACASA-N -1 1 392.485 2.257 20 0 GEADMM CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(-c3nnn[n-]3)s1)C(=O)N2 ZINC000821486628 606556784 /nfs/dbraw/zinc/55/67/84/606556784.db2.gz JBDQVQUTSLEKOF-NSHDSACASA-N -1 1 382.449 2.346 20 0 GEADMM CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(-c3nn[n-]n3)s1)C(=O)N2 ZINC000821486628 606556786 /nfs/dbraw/zinc/55/67/86/606556786.db2.gz JBDQVQUTSLEKOF-NSHDSACASA-N -1 1 382.449 2.346 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154892 606559038 /nfs/dbraw/zinc/55/90/38/606559038.db2.gz MCHVCAJBSNXIFP-SNVBAGLBSA-N -1 1 388.840 2.117 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154892 606559039 /nfs/dbraw/zinc/55/90/39/606559039.db2.gz MCHVCAJBSNXIFP-SNVBAGLBSA-N -1 1 388.840 2.117 20 0 GEADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)OCc1ccccc1Cl ZINC000823005559 606562359 /nfs/dbraw/zinc/56/23/59/606562359.db2.gz WKWMKOYHKYELIX-UHFFFAOYSA-N -1 1 377.813 2.055 20 0 GEADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)OCc1ccccc1Cl ZINC000823005559 606562361 /nfs/dbraw/zinc/56/23/61/606562361.db2.gz WKWMKOYHKYELIX-UHFFFAOYSA-N -1 1 377.813 2.055 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933065 606562579 /nfs/dbraw/zinc/56/25/79/606562579.db2.gz DSOHZYRFKRBVGR-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933065 606562581 /nfs/dbraw/zinc/56/25/81/606562581.db2.gz DSOHZYRFKRBVGR-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000822241000 606574811 /nfs/dbraw/zinc/57/48/11/606574811.db2.gz IEEYFGPUTUUEEZ-ZDUSSCGKSA-N -1 1 382.449 2.162 20 0 GEADMM Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000822241000 606574813 /nfs/dbraw/zinc/57/48/13/606574813.db2.gz IEEYFGPUTUUEEZ-ZDUSSCGKSA-N -1 1 382.449 2.162 20 0 GEADMM CC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(=O)OC ZINC000820919240 606582331 /nfs/dbraw/zinc/58/23/31/606582331.db2.gz AGQUYNWVZPAYQO-AWEZNQCLSA-N -1 1 399.382 2.480 20 0 GEADMM CC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(=O)OC ZINC000820919240 606582332 /nfs/dbraw/zinc/58/23/32/606582332.db2.gz AGQUYNWVZPAYQO-AWEZNQCLSA-N -1 1 399.382 2.480 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000819971628 606591072 /nfs/dbraw/zinc/59/10/72/606591072.db2.gz OWZPNLUAGVQNCZ-FNORWQNLSA-N -1 1 381.396 2.199 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000819971628 606591074 /nfs/dbraw/zinc/59/10/74/606591074.db2.gz OWZPNLUAGVQNCZ-FNORWQNLSA-N -1 1 381.396 2.199 20 0 GEADMM CO[C@@H]1C[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1(C)C ZINC000821678441 606606146 /nfs/dbraw/zinc/60/61/46/606606146.db2.gz NTZHELNTWRZPTQ-CHWSQXEVSA-N -1 1 388.497 2.404 20 0 GEADMM CCCN(C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)(C)C ZINC000821082819 606655585 /nfs/dbraw/zinc/65/55/85/606655585.db2.gz PAIDRZILBUPVBL-UHFFFAOYSA-N -1 1 384.488 2.496 20 0 GEADMM CCCN(C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)(C)C ZINC000821082819 606655586 /nfs/dbraw/zinc/65/55/86/606655586.db2.gz PAIDRZILBUPVBL-UHFFFAOYSA-N -1 1 384.488 2.496 20 0 GEADMM Cc1cc(F)ccc1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822206129 606687545 /nfs/dbraw/zinc/68/75/45/606687545.db2.gz VJNDIOJOLHGTAV-UHFFFAOYSA-N -1 1 398.442 2.323 20 0 GEADMM Cc1ncsc1-c1nc(COC(=O)c2sccc2-c2nn[n-]n2)no1 ZINC000822481929 606760459 /nfs/dbraw/zinc/76/04/59/606760459.db2.gz HJDSQMFVTCXVLH-UHFFFAOYSA-N -1 1 375.395 2.100 20 0 GEADMM COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821849878 606763534 /nfs/dbraw/zinc/76/35/34/606763534.db2.gz SSPTVEDSNRBDGS-UHFFFAOYSA-N -1 1 389.412 2.156 20 0 GEADMM CCCC1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CC1 ZINC000821026788 606765707 /nfs/dbraw/zinc/76/57/07/606765707.db2.gz CBZGCNRDEOYGNE-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM CCCC1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000821026788 606765708 /nfs/dbraw/zinc/76/57/08/606765708.db2.gz CBZGCNRDEOYGNE-UHFFFAOYSA-N -1 1 395.423 2.114 20 0 GEADMM COCCOCCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821693204 606819275 /nfs/dbraw/zinc/81/92/75/606819275.db2.gz XDCJSSNQSCOTFZ-UHFFFAOYSA-N -1 1 387.465 2.234 20 0 GEADMM COCCOCCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821693204 606819277 /nfs/dbraw/zinc/81/92/77/606819277.db2.gz XDCJSSNQSCOTFZ-UHFFFAOYSA-N -1 1 387.465 2.234 20 0 GEADMM Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822237227 606842960 /nfs/dbraw/zinc/84/29/60/606842960.db2.gz KRHAYLVVCSQBGK-UHFFFAOYSA-N -1 1 377.401 2.261 20 0 GEADMM C[C@@H]1c2c(F)cccc2CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820821478 606843417 /nfs/dbraw/zinc/84/34/17/606843417.db2.gz TZMQUEVRSOLATN-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM CC[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820903478 606855230 /nfs/dbraw/zinc/85/52/30/606855230.db2.gz VNPWXRZALGJBTB-GOEBONIOSA-N -1 1 398.515 2.300 20 0 GEADMM CC[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820903478 606855232 /nfs/dbraw/zinc/85/52/32/606855232.db2.gz VNPWXRZALGJBTB-GOEBONIOSA-N -1 1 398.515 2.300 20 0 GEADMM CON(C)C(=O)CSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000821696996 606865463 /nfs/dbraw/zinc/86/54/63/606865463.db2.gz XIVSOSSOOGVEDN-UHFFFAOYSA-N -1 1 386.437 2.122 20 0 GEADMM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822345166 606885509 /nfs/dbraw/zinc/88/55/09/606885509.db2.gz GTDIFEPDEMRZAF-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM CC(C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccc(F)cc1 ZINC000819992451 606889565 /nfs/dbraw/zinc/88/95/65/606889565.db2.gz XNXNKVKKOQPLDF-UHFFFAOYSA-N -1 1 397.382 2.498 20 0 GEADMM Cc1nnc(-c2cccc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)c2)o1 ZINC000822505606 607019443 /nfs/dbraw/zinc/01/94/43/607019443.db2.gz OIXRIZMYHWQFNA-UHFFFAOYSA-N -1 1 393.411 2.429 20 0 GEADMM Cc1nnc(-c2cccc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)c2)o1 ZINC000822505606 607019444 /nfs/dbraw/zinc/01/94/44/607019444.db2.gz OIXRIZMYHWQFNA-UHFFFAOYSA-N -1 1 393.411 2.429 20 0 GEADMM CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821449305 607054658 /nfs/dbraw/zinc/05/46/58/607054658.db2.gz RUCVPZKQCNIUJF-MRVPVSSYSA-N -1 1 379.471 2.398 20 0 GEADMM CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821449305 607054660 /nfs/dbraw/zinc/05/46/60/607054660.db2.gz RUCVPZKQCNIUJF-MRVPVSSYSA-N -1 1 379.471 2.398 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000822535182 607077345 /nfs/dbraw/zinc/07/73/45/607077345.db2.gz IWJBYWUHZBUFMI-JLTOFOAXSA-N -1 1 396.451 2.326 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000822535182 607077347 /nfs/dbraw/zinc/07/73/47/607077347.db2.gz IWJBYWUHZBUFMI-JLTOFOAXSA-N -1 1 396.451 2.326 20 0 GEADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821447726 607104715 /nfs/dbraw/zinc/10/47/15/607104715.db2.gz KIHUUKWDCCXSKA-UHFFFAOYSA-N -1 1 398.857 2.023 20 0 GEADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821447726 607104716 /nfs/dbraw/zinc/10/47/16/607104716.db2.gz KIHUUKWDCCXSKA-UHFFFAOYSA-N -1 1 398.857 2.023 20 0 GEADMM CCc1oc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1C ZINC000821558540 607155145 /nfs/dbraw/zinc/15/51/45/607155145.db2.gz ASKAJRPOWWRZDP-UHFFFAOYSA-N -1 1 397.439 2.158 20 0 GEADMM CCOCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCC1 ZINC000821374587 607159867 /nfs/dbraw/zinc/15/98/67/607159867.db2.gz XOJOKPZLPRMJMH-UHFFFAOYSA-N -1 1 392.485 2.016 20 0 GEADMM CCS[C@H](C)c1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000821449257 607165556 /nfs/dbraw/zinc/16/55/56/607165556.db2.gz RKHNYVGURHHNPB-SNVBAGLBSA-N -1 1 383.437 2.427 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000822535626 607169111 /nfs/dbraw/zinc/16/91/11/607169111.db2.gz YQWXEOONNWMZQR-ZDUSSCGKSA-N -1 1 382.424 2.390 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000822535626 607169112 /nfs/dbraw/zinc/16/91/12/607169112.db2.gz YQWXEOONNWMZQR-ZDUSSCGKSA-N -1 1 382.424 2.390 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000822221520 607172194 /nfs/dbraw/zinc/17/21/94/607172194.db2.gz RYWCBJRPRXHKPX-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccco1 ZINC000821883705 607194811 /nfs/dbraw/zinc/19/48/11/607194811.db2.gz ZTVTXWQSCSJBNU-OAHLLOKOSA-N -1 1 394.395 2.113 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccco1 ZINC000821883705 607194812 /nfs/dbraw/zinc/19/48/12/607194812.db2.gz ZTVTXWQSCSJBNU-OAHLLOKOSA-N -1 1 394.395 2.113 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ccc(O)cc2)c1-c1nn[n-]n1 ZINC000821988821 607225763 /nfs/dbraw/zinc/22/57/63/607225763.db2.gz HNIANIIKIATOQN-UHFFFAOYSA-N -1 1 382.449 2.497 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(C)cn2)c1-c1nn[n-]n1 ZINC000826282510 607805567 /nfs/dbraw/zinc/80/55/67/607805567.db2.gz RORJLYQAMDYDQP-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM CCCN(CCNC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000825313507 607824109 /nfs/dbraw/zinc/82/41/09/607824109.db2.gz HZNUHBOLFHHRNU-UHFFFAOYSA-N -1 1 380.474 2.305 20 0 GEADMM CCCN(CCNC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000825313507 607824110 /nfs/dbraw/zinc/82/41/10/607824110.db2.gz HZNUHBOLFHHRNU-UHFFFAOYSA-N -1 1 380.474 2.305 20 0 GEADMM CC(=O)NC[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823994699 607837344 /nfs/dbraw/zinc/83/73/44/607837344.db2.gz MPCNBIBIUCQHCQ-NSHDSACASA-N -1 1 399.382 2.480 20 0 GEADMM CC(=O)NC[C@H](C)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823994699 607837345 /nfs/dbraw/zinc/83/73/45/607837345.db2.gz MPCNBIBIUCQHCQ-NSHDSACASA-N -1 1 399.382 2.480 20 0 GEADMM CCOc1ccccc1N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825654382 607848067 /nfs/dbraw/zinc/84/80/67/607848067.db2.gz ZOHJINKCCXLYBS-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccccc1N1CCCC1=O ZINC000826418572 607864118 /nfs/dbraw/zinc/86/41/18/607864118.db2.gz MNHGKSYJNIZBBW-UHFFFAOYSA-N -1 1 396.382 2.150 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccccc1N1CCCC1=O ZINC000826418572 607864119 /nfs/dbraw/zinc/86/41/19/607864119.db2.gz MNHGKSYJNIZBBW-UHFFFAOYSA-N -1 1 396.382 2.150 20 0 GEADMM CCOC(=O)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000825518134 607879761 /nfs/dbraw/zinc/87/97/61/607879761.db2.gz SPUQXQQFYRMBKZ-LCYFTJDESA-N -1 1 381.417 2.379 20 0 GEADMM O=C(NC1CC1)c1ccc(CN(c2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000826429214 607896731 /nfs/dbraw/zinc/89/67/31/607896731.db2.gz WWCYYCAAWFKXKT-UHFFFAOYSA-N -1 1 375.436 2.323 20 0 GEADMM O=C(NC1CC1)c1ccc(CN(c2cccc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000826429214 607896732 /nfs/dbraw/zinc/89/67/32/607896732.db2.gz WWCYYCAAWFKXKT-UHFFFAOYSA-N -1 1 375.436 2.323 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826495055 607974343 /nfs/dbraw/zinc/97/43/43/607974343.db2.gz ATJYACNQWAUTLF-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM Cc1cc([C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)ccc1F ZINC000826262650 607976208 /nfs/dbraw/zinc/97/62/08/607976208.db2.gz UOPXSJYLYGDHLX-INIZCTEOSA-N -1 1 388.428 2.139 20 0 GEADMM Cc1cc([C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)ccc1F ZINC000826262650 607976209 /nfs/dbraw/zinc/97/62/09/607976209.db2.gz UOPXSJYLYGDHLX-INIZCTEOSA-N -1 1 388.428 2.139 20 0 GEADMM CC[C@H](C[C@H](C)CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825081149 607994114 /nfs/dbraw/zinc/99/41/14/607994114.db2.gz GWGDGJSDSIFCNI-CMPLNLGQSA-N -1 1 390.513 2.388 20 0 GEADMM Cc1cc(C)cc(N2CC[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])C2=O)c1 ZINC000826264075 607998123 /nfs/dbraw/zinc/99/81/23/607998123.db2.gz BCJZYSIPNJGGDK-HNNXBMFYSA-N -1 1 392.419 2.181 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](c1ccccc1)N1CCCCC1=O ZINC000826451280 607999010 /nfs/dbraw/zinc/99/90/10/607999010.db2.gz YXUJOJWHCIJUTC-GOSISDBHSA-N -1 1 392.419 2.265 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000826450859 607999028 /nfs/dbraw/zinc/99/90/28/607999028.db2.gz GYTZFVXYAWYBOU-INIZCTEOSA-N -1 1 382.399 2.315 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c(=S)n1-c1ccccc1 ZINC000826450853 607999086 /nfs/dbraw/zinc/99/90/86/607999086.db2.gz GOXYFRWMYBBDCL-UHFFFAOYSA-N -1 1 379.405 2.299 20 0 GEADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c(F)c1 ZINC000826111733 608008694 /nfs/dbraw/zinc/00/86/94/608008694.db2.gz LGVQUEZJILMJQU-LBPRGKRZSA-N -1 1 395.803 2.365 20 0 GEADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)c(F)c1 ZINC000826111733 608008695 /nfs/dbraw/zinc/00/86/95/608008695.db2.gz LGVQUEZJILMJQU-LBPRGKRZSA-N -1 1 395.803 2.365 20 0 GEADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCc1ccc(F)cc1 ZINC000826409661 608022914 /nfs/dbraw/zinc/02/29/14/608022914.db2.gz JSCSDUQFMXTMDP-UHFFFAOYSA-N -1 1 392.394 2.027 20 0 GEADMM Cc1cncc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000826319816 608025953 /nfs/dbraw/zinc/02/59/53/608025953.db2.gz UNXIZIWWLWSNMF-UHFFFAOYSA-N -1 1 398.370 2.067 20 0 GEADMM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826212891 608028836 /nfs/dbraw/zinc/02/88/36/608028836.db2.gz DTEGFIFPEZTFFA-NSHDSACASA-N -1 1 397.439 2.332 20 0 GEADMM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826212891 608028837 /nfs/dbraw/zinc/02/88/37/608028837.db2.gz DTEGFIFPEZTFFA-NSHDSACASA-N -1 1 397.439 2.332 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2scnc2C2CC2)c(-c2nn[n-]n2)c1C ZINC000826342653 608030622 /nfs/dbraw/zinc/03/06/22/608030622.db2.gz UZZLBXBZXXZTAL-UHFFFAOYSA-N -1 1 388.409 2.206 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nc2cc[nH]cc-2n1 ZINC000826340880 608030745 /nfs/dbraw/zinc/03/07/45/608030745.db2.gz NZJZBDNNCFHZSR-UHFFFAOYSA-N -1 1 375.352 2.082 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nc2cc[nH]cc-2n1 ZINC000826340880 608030746 /nfs/dbraw/zinc/03/07/46/608030746.db2.gz NZJZBDNNCFHZSR-UHFFFAOYSA-N -1 1 375.352 2.082 20 0 GEADMM CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000825717398 608055391 /nfs/dbraw/zinc/05/53/91/608055391.db2.gz JMJAMVUSVGAMHT-UHFFFAOYSA-N -1 1 378.385 2.345 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CC(F)F)CC1CCC1 ZINC000826233145 608072524 /nfs/dbraw/zinc/07/25/24/608072524.db2.gz VLZJMOMKXSWUDM-UHFFFAOYSA-N -1 1 394.426 2.411 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)C(=O)OC(C)(C)C ZINC000826340575 608103477 /nfs/dbraw/zinc/10/34/77/608103477.db2.gz CZLBMOBKIVTMNN-LLVKDONJSA-N -1 1 387.396 2.446 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)C(=O)OC(C)(C)C ZINC000826340575 608103478 /nfs/dbraw/zinc/10/34/78/608103478.db2.gz CZLBMOBKIVTMNN-LLVKDONJSA-N -1 1 387.396 2.446 20 0 GEADMM Cc1cccc([C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000826297650 608125254 /nfs/dbraw/zinc/12/52/54/608125254.db2.gz OADVZQBZPAFXEQ-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM Cc1cccc([C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000826297650 608125255 /nfs/dbraw/zinc/12/52/55/608125255.db2.gz OADVZQBZPAFXEQ-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM C[C@H]1CCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824925486 608145550 /nfs/dbraw/zinc/14/55/50/608145550.db2.gz DDPFCGJCIUAPPT-QWHCGFSZSA-N -1 1 397.439 2.200 20 0 GEADMM Cc1nc(NC(=O)Cn2ccnc2-c2nnn[n-]2)sc1Cc1ccc(C)cc1 ZINC000826288481 608149270 /nfs/dbraw/zinc/14/92/70/608149270.db2.gz IVDPBVPVFNAIJF-UHFFFAOYSA-N -1 1 394.464 2.366 20 0 GEADMM Cc1nc(NC(=O)Cn2ccnc2-c2nn[n-]n2)sc1Cc1ccc(C)cc1 ZINC000826288481 608149271 /nfs/dbraw/zinc/14/92/71/608149271.db2.gz IVDPBVPVFNAIJF-UHFFFAOYSA-N -1 1 394.464 2.366 20 0 GEADMM O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(Br)c([O-])c1 ZINC000826440188 608168517 /nfs/dbraw/zinc/16/85/17/608168517.db2.gz CLZPZDQROIXPRN-UHFFFAOYSA-N -1 1 392.188 2.404 20 0 GEADMM O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426250 608184928 /nfs/dbraw/zinc/18/49/28/608184928.db2.gz JACQKGSBIMETIZ-JTQLQIEISA-N -1 1 394.254 2.154 20 0 GEADMM O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426250 608184929 /nfs/dbraw/zinc/18/49/29/608184929.db2.gz JACQKGSBIMETIZ-JTQLQIEISA-N -1 1 394.254 2.154 20 0 GEADMM COc1ccc(COCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000826206974 608239814 /nfs/dbraw/zinc/23/98/14/608239814.db2.gz UMHVHKXFZCHFQS-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM COc1ccc(COCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000826206974 608239816 /nfs/dbraw/zinc/23/98/16/608239816.db2.gz UMHVHKXFZCHFQS-UHFFFAOYSA-N -1 1 377.408 2.447 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN(C)[C@H](C)C(=O)OC(C)C)c1-c1nn[n-]n1 ZINC000826331855 608316596 /nfs/dbraw/zinc/31/65/96/608316596.db2.gz ALSCLEHJNZUOCA-CQSZACIVSA-N -1 1 383.456 2.133 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826229420 608385635 /nfs/dbraw/zinc/38/56/35/608385635.db2.gz DGXCZTWXJMRKQN-SSDOTTSWSA-N -1 1 392.391 2.458 20 0 GEADMM Brc1ccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000823827365 608411410 /nfs/dbraw/zinc/41/14/10/608411410.db2.gz ZQESBQNTHICYCI-NSHDSACASA-N -1 1 387.245 2.110 20 0 GEADMM Brc1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000823827365 608411411 /nfs/dbraw/zinc/41/14/11/608411411.db2.gz ZQESBQNTHICYCI-NSHDSACASA-N -1 1 387.245 2.110 20 0 GEADMM CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825439711 608415272 /nfs/dbraw/zinc/41/52/72/608415272.db2.gz LOIYGKHJOJERBM-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826368347 608420397 /nfs/dbraw/zinc/42/03/97/608420397.db2.gz MCJIGWQZSHSVBE-NSHDSACASA-N -1 1 376.346 2.366 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826368347 608420399 /nfs/dbraw/zinc/42/03/99/608420399.db2.gz MCJIGWQZSHSVBE-NSHDSACASA-N -1 1 376.346 2.366 20 0 GEADMM COc1cc2[nH]c(CCCNc3ccc(-c4nnn[n-]4)nn3)cc2c(OC)c1 ZINC000826181314 608430098 /nfs/dbraw/zinc/43/00/98/608430098.db2.gz URRURJNICUQTOL-UHFFFAOYSA-N -1 1 380.412 2.200 20 0 GEADMM COc1cc2[nH]c(CCCNc3ccc(-c4nn[n-]n4)nn3)cc2c(OC)c1 ZINC000826181314 608430100 /nfs/dbraw/zinc/43/01/00/608430100.db2.gz URRURJNICUQTOL-UHFFFAOYSA-N -1 1 380.412 2.200 20 0 GEADMM Fc1cc(Br)cc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826372285 608432046 /nfs/dbraw/zinc/43/20/46/608432046.db2.gz PSSHLYOBNUNOHQ-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM Fc1cc(Br)cc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826372285 608432047 /nfs/dbraw/zinc/43/20/47/608432047.db2.gz PSSHLYOBNUNOHQ-UHFFFAOYSA-N -1 1 376.193 2.121 20 0 GEADMM COc1ccc2c(c1)OC[C@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000826213054 608440439 /nfs/dbraw/zinc/44/04/39/608440439.db2.gz JUCJPHYODNISSO-GFCCVEGCSA-N -1 1 375.392 2.234 20 0 GEADMM COc1ccc2c(c1)OC[C@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000826213054 608440441 /nfs/dbraw/zinc/44/04/41/608440441.db2.gz JUCJPHYODNISSO-GFCCVEGCSA-N -1 1 375.392 2.234 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cc(F)cnc2Cl)c(-c2nn[n-]n2)c1C ZINC000826342501 608467632 /nfs/dbraw/zinc/46/76/32/608467632.db2.gz NJEMPQHPOQONDV-UHFFFAOYSA-N -1 1 394.750 2.060 20 0 GEADMM Clc1ccccc1OCCN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826353697 608510748 /nfs/dbraw/zinc/51/07/48/608510748.db2.gz ANRGJZRWOSWLSF-UHFFFAOYSA-N -1 1 388.859 2.310 20 0 GEADMM O=C(OCc1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826466931 608517353 /nfs/dbraw/zinc/51/73/53/608517353.db2.gz ZNXNRYLGKUDCSG-UHFFFAOYSA-N -1 1 384.465 2.383 20 0 GEADMM CCOc1ccccc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825654173 608520744 /nfs/dbraw/zinc/52/07/44/608520744.db2.gz QKEOANUUZJJSSP-UHFFFAOYSA-N -1 1 398.492 2.285 20 0 GEADMM CC(C)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000824347859 608548761 /nfs/dbraw/zinc/54/87/61/608548761.db2.gz PUCNBKRFRIEGLW-UHFFFAOYSA-N -1 1 383.460 2.392 20 0 GEADMM CC(C)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000824347859 608548763 /nfs/dbraw/zinc/54/87/63/608548763.db2.gz PUCNBKRFRIEGLW-UHFFFAOYSA-N -1 1 383.460 2.392 20 0 GEADMM Cc1cc(Cl)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826267512 608549339 /nfs/dbraw/zinc/54/93/39/608549339.db2.gz IXNLBHRYCSZZDO-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Cc1cc(Cl)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826267512 608549342 /nfs/dbraw/zinc/54/93/42/608549342.db2.gz IXNLBHRYCSZZDO-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1csc2ccccc12 ZINC000825929471 608557718 /nfs/dbraw/zinc/55/77/18/608557718.db2.gz GOGBKLMSPMPQHM-UHFFFAOYSA-N -1 1 396.480 2.020 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1csc2ccccc12 ZINC000825929471 608557719 /nfs/dbraw/zinc/55/77/19/608557719.db2.gz GOGBKLMSPMPQHM-UHFFFAOYSA-N -1 1 396.480 2.020 20 0 GEADMM CC[C@@H](C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825076899 608559305 /nfs/dbraw/zinc/55/93/05/608559305.db2.gz YLWKNTXSVRCAPE-GFCCVEGCSA-N -1 1 382.472 2.390 20 0 GEADMM CC[C@@H](C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825076899 608559307 /nfs/dbraw/zinc/55/93/07/608559307.db2.gz YLWKNTXSVRCAPE-GFCCVEGCSA-N -1 1 382.472 2.390 20 0 GEADMM C[C@@H](CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824402463 608559780 /nfs/dbraw/zinc/55/97/80/608559780.db2.gz WXFQLLDDFKVPDI-ZDUSSCGKSA-N -1 1 382.472 2.147 20 0 GEADMM C[C@@H](CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824402463 608559782 /nfs/dbraw/zinc/55/97/82/608559782.db2.gz WXFQLLDDFKVPDI-ZDUSSCGKSA-N -1 1 382.472 2.147 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1csc(-c2ncccc2F)n1 ZINC000826467281 608569659 /nfs/dbraw/zinc/56/96/59/608569659.db2.gz OYGHQUKDQDCJLR-UHFFFAOYSA-N -1 1 383.368 2.276 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1csc(-c2ncccc2F)n1 ZINC000826467281 608569660 /nfs/dbraw/zinc/56/96/60/608569660.db2.gz OYGHQUKDQDCJLR-UHFFFAOYSA-N -1 1 383.368 2.276 20 0 GEADMM OCCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc(Br)ccc1F ZINC000826509696 608662050 /nfs/dbraw/zinc/66/20/50/608662050.db2.gz FUZUBEAVWOBXNB-UHFFFAOYSA-N -1 1 396.220 2.356 20 0 GEADMM OCCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cc(Br)ccc1F ZINC000826509696 608662053 /nfs/dbraw/zinc/66/20/53/608662053.db2.gz FUZUBEAVWOBXNB-UHFFFAOYSA-N -1 1 396.220 2.356 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826190174 608710866 /nfs/dbraw/zinc/71/08/66/608710866.db2.gz RZRPXFBCYWTRPX-HNNXBMFYSA-N -1 1 382.424 2.380 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cnc2[nH]ccc(Cl)c1-2 ZINC000826493532 608757363 /nfs/dbraw/zinc/75/73/63/608757363.db2.gz PCBPOYHOJJTPEL-UHFFFAOYSA-N -1 1 394.775 2.303 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cnc2[nH]ccc(Cl)c1-2 ZINC000826493532 608757364 /nfs/dbraw/zinc/75/73/64/608757364.db2.gz PCBPOYHOJJTPEL-UHFFFAOYSA-N -1 1 394.775 2.303 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(C(C)(C)C)s1 ZINC000825000883 608839478 /nfs/dbraw/zinc/83/94/78/608839478.db2.gz VSSHXOUNDGKTSO-GFCCVEGCSA-N -1 1 399.528 2.121 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(C(C)(C)C)s1 ZINC000825000883 608839482 /nfs/dbraw/zinc/83/94/82/608839482.db2.gz VSSHXOUNDGKTSO-GFCCVEGCSA-N -1 1 399.528 2.121 20 0 GEADMM Cc1ccccc1NC(=O)Cc1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000826307688 608890848 /nfs/dbraw/zinc/89/08/48/608890848.db2.gz SKJJGNYXDVJEAO-UHFFFAOYSA-N -1 1 380.437 2.058 20 0 GEADMM Cc1ccccc1NC(=O)Cc1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000826307688 608890849 /nfs/dbraw/zinc/89/08/49/608890849.db2.gz SKJJGNYXDVJEAO-UHFFFAOYSA-N -1 1 380.437 2.058 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000826424736 608892474 /nfs/dbraw/zinc/89/24/74/608892474.db2.gz AOOYAPDQASCEFX-UHFFFAOYSA-N -1 1 394.464 2.079 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000826424736 608892478 /nfs/dbraw/zinc/89/24/78/608892478.db2.gz AOOYAPDQASCEFX-UHFFFAOYSA-N -1 1 394.464 2.079 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2ccccc2c1 ZINC000825930797 609151227 /nfs/dbraw/zinc/15/12/27/609151227.db2.gz ZWTMGZLALSKMEX-UHFFFAOYSA-N -1 1 391.439 2.422 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2ccccc2c1 ZINC000825930797 609151229 /nfs/dbraw/zinc/15/12/29/609151229.db2.gz ZWTMGZLALSKMEX-UHFFFAOYSA-N -1 1 391.439 2.422 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000826357111 609158793 /nfs/dbraw/zinc/15/87/93/609158793.db2.gz RIKCIDCYJHTILS-AWEZNQCLSA-N -1 1 396.459 2.111 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000826357111 609158794 /nfs/dbraw/zinc/15/87/94/609158794.db2.gz RIKCIDCYJHTILS-AWEZNQCLSA-N -1 1 396.459 2.111 20 0 GEADMM Cc1cc(N2C[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)ccc1F ZINC000826269270 609161932 /nfs/dbraw/zinc/16/19/32/609161932.db2.gz GVWQGBXAGLAQNG-GFCCVEGCSA-N -1 1 396.382 2.011 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229441 609267589 /nfs/dbraw/zinc/26/75/89/609267589.db2.gz DVDQTQATDOJKHK-WDEREUQCSA-N -1 1 392.485 2.013 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cn2ccccc2n1 ZINC000826459139 609290143 /nfs/dbraw/zinc/29/01/43/609290143.db2.gz WRIPKQJDOJPVDK-UHFFFAOYSA-N -1 1 389.354 2.092 20 0 GEADMM COc1nc(C)ccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826221364 609290639 /nfs/dbraw/zinc/29/06/39/609290639.db2.gz AWHXIDZGMAXYNP-UHFFFAOYSA-N -1 1 394.370 2.156 20 0 GEADMM CCn1nc(C)c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1C ZINC000825806786 609290654 /nfs/dbraw/zinc/29/06/54/609290654.db2.gz DYEPUNAKIDQYNL-UHFFFAOYSA-N -1 1 395.402 2.277 20 0 GEADMM CCc1onc(C)c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825776321 609290711 /nfs/dbraw/zinc/29/07/11/609290711.db2.gz GBORUQVATYTFFW-UHFFFAOYSA-N -1 1 382.359 2.303 20 0 GEADMM O=C(/C=C\C1CCOCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826399809 609291075 /nfs/dbraw/zinc/29/10/75/609291075.db2.gz GWHAUXRGRNSGCK-PLNGDYQASA-N -1 1 383.387 2.113 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc3ncccc32)cc1-c1nn[n-]n1 ZINC000826229776 609297234 /nfs/dbraw/zinc/29/72/34/609297234.db2.gz QXVYFHODWNZHRR-UHFFFAOYSA-N -1 1 379.405 2.490 20 0 GEADMM Cc1cccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000826296400 609303632 /nfs/dbraw/zinc/30/36/32/609303632.db2.gz VCXNRMWNUYDMLY-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1cccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826296400 609303633 /nfs/dbraw/zinc/30/36/33/609303633.db2.gz VCXNRMWNUYDMLY-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM Nc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc(Cl)n1 ZINC000826395598 609313350 /nfs/dbraw/zinc/31/33/50/609313350.db2.gz KNZCJVNJGYCDPW-UHFFFAOYSA-N -1 1 399.777 2.074 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)c1ccc([O-])cc1F ZINC000826458168 609315844 /nfs/dbraw/zinc/31/58/44/609315844.db2.gz GFUZLEZKRNGBMX-UHFFFAOYSA-N -1 1 383.318 2.289 20 0 GEADMM O=S(=O)(N[C@@H](CC1CCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487736 609331367 /nfs/dbraw/zinc/33/13/67/609331367.db2.gz YFJMNTXHQGSMRB-KRWDZBQOSA-N -1 1 384.465 2.472 20 0 GEADMM O=S(=O)(N[C@@H](CC1CCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487736 609331368 /nfs/dbraw/zinc/33/13/68/609331368.db2.gz YFJMNTXHQGSMRB-KRWDZBQOSA-N -1 1 384.465 2.472 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000826492583 609338899 /nfs/dbraw/zinc/33/88/99/609338899.db2.gz SFVYXTBOUXYNHQ-UHFFFAOYSA-N -1 1 377.813 2.351 20 0 GEADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccnc1 ZINC000824505236 609355325 /nfs/dbraw/zinc/35/53/25/609355325.db2.gz AECSNWPGAHKBLL-LLVKDONJSA-N -1 1 393.386 2.469 20 0 GEADMM O=C(NCc1ccc(O)cc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826442422 609358859 /nfs/dbraw/zinc/35/88/59/609358859.db2.gz VJKIITSHOCEBDT-UHFFFAOYSA-N -1 1 394.370 2.219 20 0 GEADMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)cc2C1 ZINC000826147331 609469164 /nfs/dbraw/zinc/46/91/64/609469164.db2.gz TUXSUWQXDTWRMJ-INIZCTEOSA-N -1 1 385.449 2.090 20 0 GEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824908204 609586476 /nfs/dbraw/zinc/58/64/76/609586476.db2.gz NOISMYOAKQUPDX-IUCAKERBSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824908204 609586479 /nfs/dbraw/zinc/58/64/79/609586479.db2.gz NOISMYOAKQUPDX-IUCAKERBSA-N -1 1 393.366 2.357 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC000826357409 609591985 /nfs/dbraw/zinc/59/19/85/609591985.db2.gz DZDLBJOQLLDCEH-UHFFFAOYSA-N -1 1 388.363 2.254 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC000826357409 609591986 /nfs/dbraw/zinc/59/19/86/609591986.db2.gz DZDLBJOQLLDCEH-UHFFFAOYSA-N -1 1 388.363 2.254 20 0 GEADMM CCC[C@H]1C[C@@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825251831 609625398 /nfs/dbraw/zinc/62/53/98/609625398.db2.gz DKEPYERBSRXBSI-STQMWFEESA-N -1 1 391.428 2.154 20 0 GEADMM COC(=O)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000448938833 650026196 /nfs/dbraw/zinc/02/61/96/650026196.db2.gz VTFQYJRXZKYZIU-ZDUSSCGKSA-N -1 1 386.242 2.100 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc(OC)cc1 ZINC000451165384 650092123 /nfs/dbraw/zinc/09/21/23/650092123.db2.gz KNDQMVWMXNNZLK-OCCSQVGLSA-N -1 1 377.409 2.264 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)c(F)c1 ZINC000451174871 650093295 /nfs/dbraw/zinc/09/32/95/650093295.db2.gz YXRKFEIEAWPKSN-SMDDNHRTSA-N -1 1 378.491 2.444 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c(F)c1 ZINC000451278126 650100441 /nfs/dbraw/zinc/10/04/41/650100441.db2.gz CAOASDKZGZGUMO-TXEJJXNPSA-N -1 1 378.491 2.254 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCO2)c(F)c1 ZINC000451457660 650116287 /nfs/dbraw/zinc/11/62/87/650116287.db2.gz VCPAYVBKQQVYCZ-UHFFFAOYSA-N -1 1 380.463 2.084 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2occc2C)c(F)c1 ZINC000451571014 650126496 /nfs/dbraw/zinc/12/64/96/650126496.db2.gz AOMCSNVQJTZECE-UHFFFAOYSA-N -1 1 390.458 2.357 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)c(F)c(F)c32)o1 ZINC000451975240 650159823 /nfs/dbraw/zinc/15/98/23/650159823.db2.gz ZZYRVOABBTWCQO-SECBINFHSA-N -1 1 375.324 2.449 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000452052058 650169552 /nfs/dbraw/zinc/16/95/52/650169552.db2.gz LNFYFNNEMMHYJS-LBPRGKRZSA-N -1 1 382.265 2.219 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)o1 ZINC000452082067 650171855 /nfs/dbraw/zinc/17/18/55/650171855.db2.gz IUHSJTWQTSDQRU-CQSZACIVSA-N -1 1 385.463 2.310 20 0 GEADMM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000456180910 650332861 /nfs/dbraw/zinc/33/28/61/650332861.db2.gz BMZCIZDPRZWILI-NSHDSACASA-N -1 1 376.272 2.194 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2occc2CSc2ccccc2)[n-]1 ZINC000500570644 650380740 /nfs/dbraw/zinc/38/07/40/650380740.db2.gz PYFPRCGPWLNOMC-UHFFFAOYSA-N -1 1 378.435 2.346 20 0 GEADMM CS(=O)(=O)c1nc(NC(=O)c2occc2CSc2ccccc2)n[n-]1 ZINC000500570644 650380742 /nfs/dbraw/zinc/38/07/42/650380742.db2.gz PYFPRCGPWLNOMC-UHFFFAOYSA-N -1 1 378.435 2.346 20 0 GEADMM CC(C)(C)c1nc(CNC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)n[nH]1 ZINC000458025690 650392875 /nfs/dbraw/zinc/39/28/75/650392875.db2.gz PVKRMTYBPBCXBV-UHFFFAOYSA-N -1 1 385.877 2.057 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000461447877 650454155 /nfs/dbraw/zinc/45/41/55/650454155.db2.gz WUAJPCKMPQSAAD-MRXNPFEDSA-N -1 1 378.475 2.269 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000461456843 650454365 /nfs/dbraw/zinc/45/43/65/650454365.db2.gz NFFRNMHNSNIDNC-JTQLQIEISA-N -1 1 384.841 2.360 20 0 GEADMM C[S@@](=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)cc1 ZINC000461638155 650457863 /nfs/dbraw/zinc/45/78/63/650457863.db2.gz XQHBUECYVBWKLR-XMMPIXPASA-N -1 1 384.479 2.346 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000507567257 650463085 /nfs/dbraw/zinc/46/30/85/650463085.db2.gz PNVYFJUHBFTGJH-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)NC)c2)cc1 ZINC000507586968 650464164 /nfs/dbraw/zinc/46/41/64/650464164.db2.gz XZLVIYHLDDHUEM-UHFFFAOYSA-N -1 1 386.470 2.487 20 0 GEADMM O=S(=O)([N-]c1ccccc1-c1nnc[nH]1)c1cncc(Br)c1 ZINC000507905352 650469225 /nfs/dbraw/zinc/46/92/25/650469225.db2.gz XWMCDNGIMVTVMQ-UHFFFAOYSA-N -1 1 380.227 2.430 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC000507900741 650469336 /nfs/dbraw/zinc/46/93/36/650469336.db2.gz DPNHVOCKOITZFO-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C(=O)OC)C(C)C ZINC000508838582 650483820 /nfs/dbraw/zinc/48/38/20/650483820.db2.gz NYAAOPBGTNFYRA-NSHDSACASA-N -1 1 398.264 2.256 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C(C)(C)C(=O)OC ZINC000508838099 650483839 /nfs/dbraw/zinc/48/38/39/650483839.db2.gz SVYDHINITQBDRN-UHFFFAOYSA-N -1 1 384.237 2.010 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)Cn1cccn1 ZINC000508821167 650483268 /nfs/dbraw/zinc/48/32/68/650483268.db2.gz FWFXSQBNPUHMFM-SECBINFHSA-N -1 1 392.264 2.344 20 0 GEADMM CC[C@]1(C)CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000462595347 650485742 /nfs/dbraw/zinc/48/57/42/650485742.db2.gz TZWSLKIMTIWWCV-OAHLLOKOSA-N -1 1 378.491 2.398 20 0 GEADMM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OC(C)(C)C ZINC000462675568 650488251 /nfs/dbraw/zinc/48/82/51/650488251.db2.gz BRQUUBWDTSXWNO-LLVKDONJSA-N -1 1 375.443 2.245 20 0 GEADMM CCN(C[C@@H](C)OC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462859974 650491700 /nfs/dbraw/zinc/49/17/00/650491700.db2.gz NNHWSQVSCKCAOX-SNVBAGLBSA-N -1 1 383.297 2.155 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](CO)C(C)(C)C ZINC000509717585 650499486 /nfs/dbraw/zinc/49/94/86/650499486.db2.gz GVSMCFRGPHFKGF-LLVKDONJSA-N -1 1 384.281 2.465 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](O)C1(C)C ZINC000509960103 650504466 /nfs/dbraw/zinc/50/44/66/650504466.db2.gz ZFCXLCQRRGVKOR-QWRGUYRKSA-N -1 1 382.265 2.218 20 0 GEADMM CC[C@]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510560790 650514319 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20 0 GEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC[C@H]2CC23CCSCC3)C1 ZINC000868715335 654051966 /nfs/dbraw/zinc/05/19/66/654051966.db2.gz MMYJPRHJNURQRT-RISCZKNCSA-N -1 1 379.448 2.372 20 0 GEADMM COc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1OCCO ZINC000798342551 654060367 /nfs/dbraw/zinc/06/03/67/654060367.db2.gz IXSOKFKZBGNAMP-UHFFFAOYSA-N -1 1 383.198 2.182 20 0 GEADMM CCc1nc(SCC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[n-]c(=O)c1C ZINC000849922141 654061849 /nfs/dbraw/zinc/06/18/49/654061849.db2.gz YJYAXJFJVWVPHC-JTQLQIEISA-N -1 1 377.388 2.268 20 0 GEADMM Cc1nc(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)sc1C ZINC000798428954 654062693 /nfs/dbraw/zinc/06/26/93/654062693.db2.gz ZAOIJOHYGCYDJK-UHFFFAOYSA-N -1 1 378.420 2.360 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C)c(Br)c1 ZINC000798836363 654078215 /nfs/dbraw/zinc/07/82/15/654078215.db2.gz KDHVUUWZSNMMAV-CYBMUJFWSA-N -1 1 377.304 2.149 20 0 GEADMM C[C@H]1C[C@H](NC(=O)c2ccc(I)cc2[O-])c2ncnn21 ZINC000869236213 654080097 /nfs/dbraw/zinc/08/00/97/654080097.db2.gz TZGSHKIXXODVNO-XVKPBYJWSA-N -1 1 384.177 2.024 20 0 GEADMM COCc1nc(C)c(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000799021021 654082386 /nfs/dbraw/zinc/08/23/86/654082386.db2.gz KADRNHYXINUDIU-UHFFFAOYSA-N -1 1 379.404 2.129 20 0 GEADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)Cc1ccc(Br)cc1 ZINC000869314298 654086644 /nfs/dbraw/zinc/08/66/44/654086644.db2.gz PJCDWHKRCNRGBD-UHFFFAOYSA-N -1 1 396.159 2.173 20 0 GEADMM O=S(=O)(Cc1ccc(Br)c(F)c1)[N-]Cc1nc(C2CC2)no1 ZINC000830093362 654098210 /nfs/dbraw/zinc/09/82/10/654098210.db2.gz TVWMZTGXQNCKQK-UHFFFAOYSA-N -1 1 390.234 2.468 20 0 GEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NS(=O)(=O)N2CCC[C@H]2C)c1 ZINC000830166984 654103256 /nfs/dbraw/zinc/10/32/56/654103256.db2.gz CXWSIQUVBUMNMS-LLVKDONJSA-N -1 1 379.404 2.315 20 0 GEADMM O=C([N-]CC1CN(C(=O)Nc2nc3ccc(Cl)nc3s2)C1)C(F)(F)F ZINC000888795537 654105415 /nfs/dbraw/zinc/10/54/15/654105415.db2.gz MGUHLBPBTHBWOR-UHFFFAOYSA-N -1 1 393.778 2.487 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000830330938 654111391 /nfs/dbraw/zinc/11/13/91/654111391.db2.gz JKOINKFUSOVPGF-WDEREUQCSA-N -1 1 392.909 2.377 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ccccc2OC(F)F)C1)c1c[nH]nc1Cl ZINC000830544216 654125374 /nfs/dbraw/zinc/12/53/74/654125374.db2.gz HIABAZHLBYHDGG-VIFPVBQESA-N -1 1 392.815 2.222 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2ncc[nH]2)c1F ZINC000917512429 654126663 /nfs/dbraw/zinc/12/66/63/654126663.db2.gz GFZFFWIOSFYNPV-SSDOTTSWSA-N -1 1 378.223 2.359 20 0 GEADMM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000917748747 654133567 /nfs/dbraw/zinc/13/35/67/654133567.db2.gz VWBDXFSOTRWTMZ-UHFFFAOYSA-N -1 1 382.797 2.066 20 0 GEADMM Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)cc(S(C)(=O)=O)c1 ZINC000901697960 654141327 /nfs/dbraw/zinc/14/13/27/654141327.db2.gz XMPOUUBZUPYBCR-AWEZNQCLSA-N -1 1 375.512 2.488 20 0 GEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000800585047 654150900 /nfs/dbraw/zinc/15/09/00/654150900.db2.gz BWADKKWSRHUBML-NSHDSACASA-N -1 1 398.282 2.438 20 0 GEADMM COC(=O)c1oc(C[N-]S(=O)(=O)c2occc2Br)cc1C ZINC000918821322 654163588 /nfs/dbraw/zinc/16/35/88/654163588.db2.gz HSOJSJKAZSOCIT-UHFFFAOYSA-N -1 1 378.200 2.209 20 0 GEADMM O=S(=O)(Cc1noc2c1CCCC2)[N-]Cc1ncc(Br)s1 ZINC000919144159 654172118 /nfs/dbraw/zinc/17/21/18/654172118.db2.gz PWADIKIPZCUEGH-UHFFFAOYSA-N -1 1 392.300 2.392 20 0 GEADMM CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000919174183 654172775 /nfs/dbraw/zinc/17/27/75/654172775.db2.gz LDTINWUUTBURPF-BDAKNGLRSA-N -1 1 384.267 2.425 20 0 GEADMM CCn1c(Br)ncc1C(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889787515 654172782 /nfs/dbraw/zinc/17/27/82/654172782.db2.gz VTHWEOWXTSXYSI-SECBINFHSA-N -1 1 396.245 2.147 20 0 GEADMM COc1cnc([C@H]2CCCN2C(=O)c2ccc(Br)cn2)[n-]c1=O ZINC000889791630 654173237 /nfs/dbraw/zinc/17/32/37/654173237.db2.gz JVFNTNQHTNQMKT-LLVKDONJSA-N -1 1 379.214 2.326 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2Cl)cc1C ZINC000851764651 654175224 /nfs/dbraw/zinc/17/52/24/654175224.db2.gz HWEDVABBDOEHPA-NSHDSACASA-N -1 1 391.804 2.179 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)cc1C ZINC000851774422 654176102 /nfs/dbraw/zinc/17/61/02/654176102.db2.gz DOZDAKPJABRLSS-GIPNMCIBSA-N -1 1 377.509 2.033 20 0 GEADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)CCN1C(=O)OC(C)(C)C ZINC000831303815 654178070 /nfs/dbraw/zinc/17/80/70/654178070.db2.gz JYBYEUUQXGTPLI-UWVGGRQHSA-N -1 1 378.882 2.129 20 0 GEADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831375078 654181052 /nfs/dbraw/zinc/18/10/52/654181052.db2.gz JOQVDDZASCRFJK-NSHDSACASA-N -1 1 392.264 2.169 20 0 GEADMM COc1cccc(S([O-])=CC(=O)OCc2cnn(CC(F)(F)F)c2)c1 ZINC000870611979 654182954 /nfs/dbraw/zinc/18/29/54/654182954.db2.gz OTMZVVWKGQYGKR-VWLOTQADSA-N -1 1 376.356 2.305 20 0 GEADMM O=C(c1ccc(I)cc1[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000870643113 654185744 /nfs/dbraw/zinc/18/57/44/654185744.db2.gz WJMAJFSYRXLKBE-LLVKDONJSA-N -1 1 397.159 2.493 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CC23CC(C2)CN3C(=O)OC(C)(C)C)sc1C ZINC000851837085 654188109 /nfs/dbraw/zinc/18/81/09/654188109.db2.gz DXYFMMQXNDJXKJ-UHFFFAOYSA-N -1 1 387.527 2.438 20 0 GEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)ccc1Cl ZINC000831547601 654190849 /nfs/dbraw/zinc/19/08/49/654190849.db2.gz SJTCLVKKUYDZAC-LLVKDONJSA-N -1 1 391.820 2.363 20 0 GEADMM CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000919831054 654193849 /nfs/dbraw/zinc/19/38/49/654193849.db2.gz OEDSLXBNMWPWRA-WDEREUQCSA-N -1 1 380.388 2.148 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@H](C(F)F)C1 ZINC000801425406 654194992 /nfs/dbraw/zinc/19/49/92/654194992.db2.gz FTCCHLUFBACSOW-JTQLQIEISA-N -1 1 383.132 2.103 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CN(C)CCN1C ZINC000919989735 654198565 /nfs/dbraw/zinc/19/85/65/654198565.db2.gz LBLGMRZKTKCFJT-NOZJJQNGSA-N -1 1 384.304 2.045 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]Cc2ccnn2CC)c(F)cc1Cl ZINC000851898162 654203431 /nfs/dbraw/zinc/20/34/31/654203431.db2.gz SVWSFKAMWCCSJP-UHFFFAOYSA-N -1 1 389.836 2.351 20 0 GEADMM O=C([N-]C1CC(CO)(CO)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902960457 654205519 /nfs/dbraw/zinc/20/55/19/654205519.db2.gz WEHBOSDYVZSNRR-UHFFFAOYSA-N -1 1 388.720 2.095 20 0 GEADMM C[C@]1(CS(=O)(=O)[N-]c2cccc(CN3CCOCC3)n2)CC1(Cl)Cl ZINC000903100477 654216591 /nfs/dbraw/zinc/21/65/91/654216591.db2.gz PUGAEWRVYGZTBI-CQSZACIVSA-N -1 1 394.324 2.239 20 0 GEADMM CC(C)CCc1cc([N-]S(=O)(=O)c2cnn(C)c2Br)[nH]n1 ZINC000903116443 654217498 /nfs/dbraw/zinc/21/74/98/654217498.db2.gz AQHPXBXKIOKTGS-UHFFFAOYSA-N -1 1 376.280 2.295 20 0 GEADMM O=S(=O)([N-][C@H](CCO)c1cccc(C(F)(F)F)c1)c1c[nH]nc1Cl ZINC000831971284 654221064 /nfs/dbraw/zinc/22/10/64/654221064.db2.gz MYDMNDFQDCYKKE-SNVBAGLBSA-N -1 1 383.779 2.484 20 0 GEADMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2c(Cl)c(C)nn2C)c1 ZINC000903164622 654223143 /nfs/dbraw/zinc/22/31/43/654223143.db2.gz CSNQQLNZBMGXPI-UHFFFAOYSA-N -1 1 375.809 2.499 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccccc1CN1CCSCC1 ZINC000903196894 654225806 /nfs/dbraw/zinc/22/58/06/654225806.db2.gz GYBYXQGJERWGIR-UHFFFAOYSA-N -1 1 391.584 2.400 20 0 GEADMM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1cnn(C2CCCC2)c1)C(F)(F)F ZINC000903229690 654229884 /nfs/dbraw/zinc/22/98/84/654229884.db2.gz MRKLICUWALYRBY-ZDUSSCGKSA-N -1 1 383.392 2.161 20 0 GEADMM COC[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccc(Cl)cc1 ZINC000832142561 654239280 /nfs/dbraw/zinc/23/92/80/654239280.db2.gz VLFQASKBHILHTR-NSHDSACASA-N -1 1 378.281 2.435 20 0 GEADMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)c1sccc1Br ZINC000921379300 654257484 /nfs/dbraw/zinc/25/74/84/654257484.db2.gz VSUIZUOZHFPSPQ-MRVPVSSYSA-N -1 1 388.330 2.084 20 0 GEADMM COCCN1C(=S)N[C@@H](c2ccc([O-])c(Cl)c2)C(C(=O)N(C)C)=C1C ZINC000921295468 654243077 /nfs/dbraw/zinc/24/30/77/654243077.db2.gz VQYJSCWPHBDLAT-HNNXBMFYSA-N -1 1 383.901 2.285 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C)c(Br)n1C ZINC000832236137 654250387 /nfs/dbraw/zinc/25/03/87/654250387.db2.gz FWNSKUNFMNVBQJ-NEPJUHHUSA-N -1 1 396.351 2.058 20 0 GEADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1csc(C2CC2)n1 ZINC000852734820 654257271 /nfs/dbraw/zinc/25/72/71/654257271.db2.gz DNEIJSSHCKFZKI-GHMZBOCLSA-N -1 1 377.388 2.117 20 0 GEADMM COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000921385554 654258308 /nfs/dbraw/zinc/25/83/08/654258308.db2.gz WOMKUYQRTWGQJD-OCCSQVGLSA-N -1 1 379.400 2.265 20 0 GEADMM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCSc1ccccc1 ZINC000852738515 654258575 /nfs/dbraw/zinc/25/85/75/654258575.db2.gz ZURXNQCXZBWXSR-QWHCGFSZSA-N -1 1 376.400 2.375 20 0 GEADMM CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000891140933 654266675 /nfs/dbraw/zinc/26/66/75/654266675.db2.gz NAXDCRWKRORFDK-VWLOTQADSA-N -1 1 375.441 2.097 20 0 GEADMM CCC1(CC)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000871871181 654271016 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/nfs/dbraw/zinc/67/45/97/654674597.db2.gz DQVJGAIEJJQTQG-QGZVFWFLSA-N -1 1 388.295 2.047 20 0 GEADMM CC(C)(C)C[C@H](NC(=O)c1cnc(I)c(O)c1)C(=O)[O-] ZINC000909877780 654680692 /nfs/dbraw/zinc/68/06/92/654680692.db2.gz JSSNTQXGRWJCRT-QMMMGPOBSA-N -1 1 392.193 2.011 20 0 GEADMM Cc1nc(C2CCN(C(=O)CN(C)[C@H]3CCSC3)CC2)sc1C(=O)[O-] ZINC000910353509 654697674 /nfs/dbraw/zinc/69/76/74/654697674.db2.gz CRRXVYWSNWBQRX-ZDUSSCGKSA-N -1 1 383.539 2.293 20 0 GEADMM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)C(=O)CN2CCCC2)c1 ZINC000910767648 654709841 /nfs/dbraw/zinc/70/98/41/654709841.db2.gz UIQGRRASZPRLHI-OAHLLOKOSA-N -1 1 385.258 2.138 20 0 GEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)C(=O)CN2CCCC2)c1 ZINC000910767647 654709866 /nfs/dbraw/zinc/70/98/66/654709866.db2.gz UIQGRRASZPRLHI-HNNXBMFYSA-N -1 1 385.258 2.138 20 0 GEADMM O=C([O-])CN1CCCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000911214914 654719734 /nfs/dbraw/zinc/71/97/34/654719734.db2.gz CBBXVQUAUWAIAD-UHFFFAOYSA-N -1 1 391.212 2.160 20 0 GEADMM C[C@H]1CN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)CCN1CC(C)(C)O ZINC000911499379 654725194 /nfs/dbraw/zinc/72/51/94/654725194.db2.gz DPWWBUWWKVZIHY-NSHDSACASA-N -1 1 399.285 2.065 20 0 GEADMM C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000911567930 654726609 /nfs/dbraw/zinc/72/66/09/654726609.db2.gz FCNPKLMMGFNGCR-MMPTUQATSA-N -1 1 389.279 2.328 20 0 GEADMM COc1ccc(Br)c(C(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912859881 654771542 /nfs/dbraw/zinc/77/15/42/654771542.db2.gz HSDMKZWQJZYWRI-NSHDSACASA-N -1 1 386.275 2.195 20 0 GEADMM O=C(c1cccc2c(Br)cccc12)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493803 654795582 /nfs/dbraw/zinc/79/55/82/654795582.db2.gz JIINWUOIWQOHOP-AWEZNQCLSA-N -1 1 388.225 2.329 20 0 GEADMM Cc1cc(C)c(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(C)c1Br ZINC000913493667 654795858 /nfs/dbraw/zinc/79/58/58/654795858.db2.gz FSYBBMNAMOLPRQ-CYBMUJFWSA-N -1 1 394.273 2.030 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)Cc2c[nH]nc21 ZINC000913586828 654800865 /nfs/dbraw/zinc/80/08/65/654800865.db2.gz DPMISFCWMCVOHY-MRVPVSSYSA-N -1 1 383.189 2.479 20 0 GEADMM C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744955 654807309 /nfs/dbraw/zinc/80/73/09/654807309.db2.gz LYVGQDMLQVGMLO-JTQLQIEISA-N -1 1 380.246 2.136 20 0 GEADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C1CCCCC1 ZINC000913820100 654811026 /nfs/dbraw/zinc/81/10/26/654811026.db2.gz OJUKPMMDBTUJNH-UHFFFAOYSA-N -1 1 389.275 2.111 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1CCC[C@H](O)C1 ZINC000913935257 654817054 /nfs/dbraw/zinc/81/70/54/654817054.db2.gz GARWQIULDDCMCD-JQLIAFOBSA-N -1 1 386.417 2.171 20 0 GEADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000913966773 654819034 /nfs/dbraw/zinc/81/90/34/654819034.db2.gz RFUOMSNDHNOMMC-BDAKNGLRSA-N -1 1 391.291 2.213 20 0 GEADMM COC(=O)CCCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000913977041 654820071 /nfs/dbraw/zinc/82/00/71/654820071.db2.gz DZNNYWGTFLCIHN-UHFFFAOYSA-N -1 1 398.250 2.218 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2nnc(C)o2)c1F ZINC000914247288 654838744 /nfs/dbraw/zinc/83/87/44/654838744.db2.gz BZHASXVSCMSRKN-ZCFIWIBFSA-N -1 1 394.222 2.328 20 0 GEADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H](C)CC(C)C ZINC000914279257 654841763 /nfs/dbraw/zinc/84/17/63/654841763.db2.gz JILUDTWFMYIDHN-SECBINFHSA-N -1 1 391.291 2.213 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H]1CC[C@H](O)CC1 ZINC000914286886 654841976 /nfs/dbraw/zinc/84/19/76/654841976.db2.gz MQPSFEYBMXPETR-LYSPQLLHSA-N -1 1 386.417 2.171 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)c1F ZINC000914318706 654844783 /nfs/dbraw/zinc/84/47/83/654844783.db2.gz WRCRVLFOWDVEKM-IUCAKERBSA-N -1 1 382.251 2.443 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@H]1CCOC1 ZINC000914361817 654848612 /nfs/dbraw/zinc/84/86/12/654848612.db2.gz UOFUPPPPRVBPMG-BSNNYGBQSA-N -1 1 386.417 2.294 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCOC[C@@H]2C)c1F ZINC000914999832 654860261 /nfs/dbraw/zinc/86/02/61/654860261.db2.gz CFZURZDEEUPZDC-WCBMZHEXSA-N -1 1 382.251 2.300 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2=CCCOC2)c1F ZINC000915674627 654876356 /nfs/dbraw/zinc/87/63/56/654876356.db2.gz NRALMQJPGRNTSS-UHFFFAOYSA-N -1 1 380.235 2.222 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC(C)(C)CO)c1F ZINC000916021132 654884971 /nfs/dbraw/zinc/88/49/71/654884971.db2.gz MNLUDHOMNGSXNN-UHFFFAOYSA-N -1 1 384.267 2.284 20 0 GEADMM C[C@H](CCCO)C[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916021554 654884979 /nfs/dbraw/zinc/88/49/79/654884979.db2.gz SXGOLOZFPJXELH-BGJPBQGDSA-N -1 1 388.433 2.276 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1CC12CCOCC2 ZINC000916109384 654888614 /nfs/dbraw/zinc/88/86/14/654888614.db2.gz FONMYQPUGUBJEY-YYUOZPCZSA-N -1 1 398.428 2.437 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c(Br)c1 ZINC000151415557 531500693 /nfs/dbraw/zinc/50/06/93/531500693.db2.gz SRHVARAMRZAWGV-UHFFFAOYSA-N -1 1 388.243 2.376 20 0 GEADMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000016094777 531569868 /nfs/dbraw/zinc/56/98/68/531569868.db2.gz CIFUGCPYDZZAEQ-UHFFFAOYSA-N -1 1 380.491 2.226 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000016101091 531570647 /nfs/dbraw/zinc/57/06/47/531570647.db2.gz KCKPFXNPMPIEHQ-UHFFFAOYSA-N -1 1 384.479 2.136 20 0 GEADMM CCc1nc(S(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000153130743 531590102 /nfs/dbraw/zinc/59/01/02/531590102.db2.gz WDLVXUYABDJYNJ-UHFFFAOYSA-N -1 1 391.280 2.106 20 0 GEADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000032086153 531647473 /nfs/dbraw/zinc/64/74/73/531647473.db2.gz KCWRNULIALVTDB-UHFFFAOYSA-N -1 1 377.447 2.281 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1Cl ZINC000036110575 531658011 /nfs/dbraw/zinc/65/80/11/531658011.db2.gz DWBRYZTWTTZGKP-UHFFFAOYSA-N -1 1 380.809 2.422 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1N)c1noc(-c2ccccc2)n1 ZINC000156055587 531712455 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CC(=O)N[C@@H](CC(=O)NCCc1n[n-]c(=S)n1C)c1ccc(Cl)cc1 ZINC000097550882 531937936 /nfs/dbraw/zinc/93/79/36/531937936.db2.gz DPYOKTMZWOQNBR-ZDUSSCGKSA-N -1 1 381.889 2.057 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1 ZINC000093909185 531927353 /nfs/dbraw/zinc/92/73/53/531927353.db2.gz QRVXNAHFZZNTQW-UHFFFAOYSA-N -1 1 379.463 2.466 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)[N@@H+](C)C2CC2)c(F)c1Cl ZINC000173108980 531987984 /nfs/dbraw/zinc/98/79/84/531987984.db2.gz NLCTUMHQVLUVCQ-MRVPVSSYSA-N -1 1 395.859 2.338 20 0 GEADMM CSc1nc(C)c(CCC(=O)N2CCO[C@H](c3ccsc3)C2)c(=O)[n-]1 ZINC000120942331 532003867 /nfs/dbraw/zinc/00/38/67/532003867.db2.gz WDRQEILJXWTVRA-AWEZNQCLSA-N -1 1 379.507 2.394 20 0 GEADMM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C2 ZINC000121309438 532021896 /nfs/dbraw/zinc/02/18/96/532021896.db2.gz GUSUXMIMSGERMQ-VIFPVBQESA-N -1 1 376.301 2.309 20 0 GEADMM Cn1ccnc1CN1CCC(C(=O)Nc2nc(Br)ccc2[O-])CC1 ZINC000121540619 532033936 /nfs/dbraw/zinc/03/39/36/532033936.db2.gz AJMCQEBHHXPTOF-UHFFFAOYSA-N -1 1 394.273 2.134 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(F)cc(Br)c2)co1 ZINC000121636119 532038650 /nfs/dbraw/zinc/03/86/50/532038650.db2.gz ARWSXZOVRWLHDT-UHFFFAOYSA-N -1 1 391.218 2.019 20 0 GEADMM O=S(=O)([N-]CCCOC[C@H]1CCOC1)c1sccc1Br ZINC000121864884 532049779 /nfs/dbraw/zinc/04/97/79/532049779.db2.gz BILPHKHGJOEPTA-SNVBAGLBSA-N -1 1 384.317 2.232 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cccc1C(F)(F)F ZINC000122213233 532061528 /nfs/dbraw/zinc/06/15/28/532061528.db2.gz ILCRCFTXPNKFBL-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000174955073 532084688 /nfs/dbraw/zinc/08/46/88/532084688.db2.gz WAJMTSZQIOGTDH-UHFFFAOYSA-N -1 1 382.869 2.405 20 0 GEADMM CCc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)n[nH]1 ZINC000123074314 532091948 /nfs/dbraw/zinc/09/19/48/532091948.db2.gz LVRRJDRXYGSOTR-UHFFFAOYSA-N -1 1 377.451 2.482 20 0 GEADMM CCc1n[nH]c(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000123074314 532091952 /nfs/dbraw/zinc/09/19/52/532091952.db2.gz LVRRJDRXYGSOTR-UHFFFAOYSA-N -1 1 377.451 2.482 20 0 GEADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000123530423 532101294 /nfs/dbraw/zinc/10/12/94/532101294.db2.gz JOOPLWARVAYQLA-AWEZNQCLSA-N -1 1 380.853 2.270 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1 ZINC000123630623 532103410 /nfs/dbraw/zinc/10/34/10/532103410.db2.gz HTIQKOODPHOMLE-UHFFFAOYSA-N -1 1 380.227 2.430 20 0 GEADMM CCc1nc(S(=O)(=O)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[n-]1 ZINC000175632909 532110180 /nfs/dbraw/zinc/11/01/80/532110180.db2.gz VMELACNQRMOYBW-UHFFFAOYSA-N -1 1 396.778 2.452 20 0 GEADMM O=S(=O)([N-]CCS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000123510409 532099835 /nfs/dbraw/zinc/09/98/35/532099835.db2.gz KOLVVQTVVPIASA-UHFFFAOYSA-N -1 1 383.422 2.324 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)cc1Cl ZINC000175967549 532120730 /nfs/dbraw/zinc/12/07/30/532120730.db2.gz JQZMTJSPXAMQAT-UHFFFAOYSA-N -1 1 387.820 2.245 20 0 GEADMM O=C(Cc1cccc(F)c1)NCCNC(=O)c1cc(Br)ccc1[O-] ZINC000124474007 532122164 /nfs/dbraw/zinc/12/21/64/532122164.db2.gz FXCRIRXZWRGWGQ-UHFFFAOYSA-N -1 1 395.228 2.383 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Br)c(F)c2)co1 ZINC000124518619 532123401 /nfs/dbraw/zinc/12/34/01/532123401.db2.gz GOKIBZHZDHRZPG-UHFFFAOYSA-N -1 1 391.218 2.019 20 0 GEADMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[nH]n1 ZINC000126770972 532151005 /nfs/dbraw/zinc/15/10/05/532151005.db2.gz PTYQHANYMJGZFW-UHFFFAOYSA-N -1 1 389.474 2.342 20 0 GEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000176687214 532145363 /nfs/dbraw/zinc/14/53/63/532145363.db2.gz JCISSNCCNWTYCR-UHFFFAOYSA-N -1 1 384.454 2.475 20 0 GEADMM CCC[C@H](NC(=O)c1cccc(C)c1I)c1nn[n-]n1 ZINC000176751217 532148261 /nfs/dbraw/zinc/14/82/61/532148261.db2.gz AGPUFGQDTPPMGT-JTQLQIEISA-N -1 1 385.209 2.384 20 0 GEADMM CCC[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1nn[n-]n1 ZINC000176757409 532148645 /nfs/dbraw/zinc/14/86/45/532148645.db2.gz TZXUAYLDEHXMRJ-LBPRGKRZSA-N -1 1 390.245 2.419 20 0 GEADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000129076320 532172332 /nfs/dbraw/zinc/17/23/32/532172332.db2.gz CHBHUCVVNBYZSG-CYBMUJFWSA-N -1 1 380.235 2.208 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129275146 532176484 /nfs/dbraw/zinc/17/64/84/532176484.db2.gz XCPSSHPOTBPFPH-MNOVXSKESA-N -1 1 380.246 2.136 20 0 GEADMM C[C@]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)(C(N)=O)c1cccc(Cl)c1 ZINC000178601662 532207325 /nfs/dbraw/zinc/20/73/25/532207325.db2.gz ZTGYJGVICUVGHI-OAHLLOKOSA-N -1 1 392.786 2.436 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)CCCN1CC(F)(F)F ZINC000133127135 532227963 /nfs/dbraw/zinc/22/79/63/532227963.db2.gz RIGNJICTFRSCJJ-SNVBAGLBSA-N -1 1 388.770 2.311 20 0 GEADMM CS(=O)(=O)C1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000179436313 532231201 /nfs/dbraw/zinc/23/12/01/532231201.db2.gz GCAIYMKUEXBMIP-UHFFFAOYSA-N -1 1 376.272 2.240 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(Br)cc2)c1 ZINC000179539221 532235097 /nfs/dbraw/zinc/23/50/97/532235097.db2.gz ZXIFVJBCNYJBLB-UHFFFAOYSA-N -1 1 399.266 2.373 20 0 GEADMM O=C(c1ccco1)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000133072826 532226305 /nfs/dbraw/zinc/22/63/05/532226305.db2.gz IDPBCWZKOJNQFC-UHFFFAOYSA-N -1 1 379.210 2.346 20 0 GEADMM CCn1cc(S(=O)(=O)[N-]c2cccc(F)c2I)cn1 ZINC000134665873 532260437 /nfs/dbraw/zinc/26/04/37/532260437.db2.gz LYFNFGIBRZJYFY-UHFFFAOYSA-N -1 1 395.197 2.448 20 0 GEADMM CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000136699748 532286522 /nfs/dbraw/zinc/28/65/22/532286522.db2.gz XMAGIGZMJWXMMW-LDYMZIIASA-N -1 1 385.255 2.282 20 0 GEADMM Cc1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1Br ZINC000181028570 532289237 /nfs/dbraw/zinc/28/92/37/532289237.db2.gz RUPLWUHFOHAONR-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM COc1ccccc1N1CCC([N-]S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000146420397 532298206 /nfs/dbraw/zinc/29/82/06/532298206.db2.gz RYTKAKZNICMABO-UHFFFAOYSA-N -1 1 384.889 2.029 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)(C(N)=O)C(C)C ZINC000181537365 532300964 /nfs/dbraw/zinc/30/09/64/532300964.db2.gz SBQLMEHKCPAUJR-LBPRGKRZSA-N -1 1 398.710 2.066 20 0 GEADMM CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000186876380 532342273 /nfs/dbraw/zinc/34/22/73/532342273.db2.gz KCLSUFFHCAHBNN-UHFFFAOYSA-N -1 1 390.086 2.122 20 0 GEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1nc(C2CC2)no1 ZINC000186891727 532342510 /nfs/dbraw/zinc/34/25/10/532342510.db2.gz FJUGUPPMRLKRJE-LBPRGKRZSA-N -1 1 375.401 2.084 20 0 GEADMM CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188081356 532346538 /nfs/dbraw/zinc/34/65/38/532346538.db2.gz OURODEDUFGGAJS-UHFFFAOYSA-N -1 1 390.285 2.236 20 0 GEADMM CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000189999048 532354408 /nfs/dbraw/zinc/35/44/08/532354408.db2.gz OFPDVFNXDZAHRF-JQWIXIFHSA-N -1 1 382.214 2.448 20 0 GEADMM CCCCCN(CC(N)=O)C(=O)c1cc(I)ccc1[O-] ZINC000190091118 532354782 /nfs/dbraw/zinc/35/47/82/532354782.db2.gz UDEIOASTJUYLMA-UHFFFAOYSA-N -1 1 390.221 2.115 20 0 GEADMM CC[C@]1(CO)CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000190788530 532357931 /nfs/dbraw/zinc/35/79/31/532357931.db2.gz MXFRMEKGYDIZNU-CQSZACIVSA-N -1 1 375.206 2.374 20 0 GEADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000621970811 532375771 /nfs/dbraw/zinc/37/57/71/532375771.db2.gz QZDOHZMMXFUADT-RITPCOANSA-N -1 1 392.047 2.367 20 0 GEADMM C[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000590606501 532377164 /nfs/dbraw/zinc/37/71/64/532377164.db2.gz QRSQIAQJVGZION-JTQLQIEISA-N -1 1 392.499 2.168 20 0 GEADMM CS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1 ZINC000294484936 532362986 /nfs/dbraw/zinc/36/29/86/532362986.db2.gz XJDBUEQGYZTYRA-UHFFFAOYSA-N -1 1 385.442 2.227 20 0 GEADMM Cc1nc([C@@H]([N-]S(=O)(=O)CCOCC2CC2)c2ccc(Cl)cc2)no1 ZINC000425169169 532367171 /nfs/dbraw/zinc/36/71/71/532367171.db2.gz JDJWLVGQBKUDFP-HNNXBMFYSA-N -1 1 385.873 2.467 20 0 GEADMM C[C@@H](CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000372070784 532369575 /nfs/dbraw/zinc/36/95/75/532369575.db2.gz FDEXMWDSVOIAGJ-GXFFZTMASA-N -1 1 380.246 2.056 20 0 GEADMM CS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000425176703 532369539 /nfs/dbraw/zinc/36/95/39/532369539.db2.gz BCKZGTTUSWALHR-UHFFFAOYSA-N -1 1 378.274 2.236 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)cc1Cl ZINC000372115827 532371863 /nfs/dbraw/zinc/37/18/63/532371863.db2.gz GUKPBQDDFNXQHQ-UHFFFAOYSA-N -1 1 380.813 2.436 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000516117572 532379838 /nfs/dbraw/zinc/37/98/38/532379838.db2.gz HDTUWSDRVFXWDK-VIFPVBQESA-N -1 1 391.280 2.429 20 0 GEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000372283924 532382313 /nfs/dbraw/zinc/38/23/13/532382313.db2.gz VYUXVRQQQZYBMU-VXGBXAGGSA-N -1 1 386.242 2.337 20 0 GEADMM O=C(COc1ccccc1Br)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000677868649 532384848 /nfs/dbraw/zinc/38/48/48/532384848.db2.gz KXZFARQEBOFHSM-HNNXBMFYSA-N -1 1 388.225 2.247 20 0 GEADMM O=S(=O)([N-][C@@H]1CCc2nnnn2CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000516444770 532386318 /nfs/dbraw/zinc/38/63/18/532386318.db2.gz CXMPQXLNQQKQOC-MRVPVSSYSA-N -1 1 396.687 2.317 20 0 GEADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000590866590 532390314 /nfs/dbraw/zinc/39/03/14/532390314.db2.gz IWTJHCVKSBNQFS-KOLCDFICSA-N -1 1 389.189 2.068 20 0 GEADMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000517052467 532402906 /nfs/dbraw/zinc/40/29/06/532402906.db2.gz AJETWRRRDMGYJT-ZDUSSCGKSA-N -1 1 381.372 2.491 20 0 GEADMM CCOC1(CS(=O)(=O)[N-][C@H](COC)c2ccc(CC)o2)CCOCC1 ZINC000625011874 532404494 /nfs/dbraw/zinc/40/44/94/532404494.db2.gz DUSQKRBHTYZCHQ-OAHLLOKOSA-N -1 1 375.487 2.035 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C3CCC3)CCC2)c(F)c1 ZINC000517095962 532404597 /nfs/dbraw/zinc/40/45/97/532404597.db2.gz MEFSSKIRXQOIHQ-UHFFFAOYSA-N -1 1 376.475 2.198 20 0 GEADMM COCCC1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000648889290 532407470 /nfs/dbraw/zinc/40/74/70/532407470.db2.gz UYESFWFDBJOALW-UHFFFAOYSA-N -1 1 395.308 2.347 20 0 GEADMM O=C(N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ncccc1[O-] ZINC000372862715 532414249 /nfs/dbraw/zinc/41/42/49/532414249.db2.gz PZTZDOZGIWAKSL-NSHDSACASA-N -1 1 397.250 2.198 20 0 GEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)CO)c3)cc2s1 ZINC000427211966 532415465 /nfs/dbraw/zinc/41/54/65/532415465.db2.gz IXNAJDGVDZHAQG-UHFFFAOYSA-N -1 1 377.447 2.336 20 0 GEADMM O=S(=O)([N-]CC1(OCCO)CCC(F)(F)CC1)c1cccc(F)c1F ZINC000625409605 532423529 /nfs/dbraw/zinc/42/35/29/532423529.db2.gz MQFKTROJEVSMKV-UHFFFAOYSA-N -1 1 385.379 2.200 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC1 ZINC000625371815 532421867 /nfs/dbraw/zinc/42/18/67/532421867.db2.gz WWEBFJKCDVEVPJ-VHDGCEQUSA-N -1 1 379.400 2.265 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)cc1F ZINC000591818395 532425144 /nfs/dbraw/zinc/42/51/44/532425144.db2.gz NIKOMCSKQONOBH-QMMMGPOBSA-N -1 1 376.322 2.266 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(N)c2Cl)c1 ZINC000427914792 532436892 /nfs/dbraw/zinc/43/68/92/532436892.db2.gz RQMAXZMHFLZHOQ-UHFFFAOYSA-N -1 1 390.248 2.442 20 0 GEADMM Cc1cnc(C(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)c([O-])c1 ZINC000428025727 532440456 /nfs/dbraw/zinc/44/04/56/532440456.db2.gz VEFWPXJGISKYHG-CQSZACIVSA-N -1 1 378.226 2.157 20 0 GEADMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000282147539 532444546 /nfs/dbraw/zinc/44/45/46/532444546.db2.gz FFSUHUIXOILLES-SECBINFHSA-N -1 1 377.344 2.386 20 0 GEADMM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000650426592 532446517 /nfs/dbraw/zinc/44/65/17/532446517.db2.gz OCYJDKCUXMDHBG-LURJTMIESA-N -1 1 384.198 2.259 20 0 GEADMM CNC(=O)C1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CCC1 ZINC000683593518 532461872 /nfs/dbraw/zinc/46/18/72/532461872.db2.gz MMTVRIDFOQDXOB-UHFFFAOYSA-N -1 1 382.214 2.381 20 0 GEADMM COC(=O)c1c[n-]c(SCc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000562408987 532465426 /nfs/dbraw/zinc/46/54/26/532465426.db2.gz DMCNMNMYZOSJAK-UHFFFAOYSA-N -1 1 395.238 2.259 20 0 GEADMM O=S(=O)(CCCc1cn[nH]c1)c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000195117723 532471827 /nfs/dbraw/zinc/47/18/27/532471827.db2.gz KDWMETGPNLRHMP-UHFFFAOYSA-N -1 1 381.845 2.167 20 0 GEADMM O=S(=O)(CCCc1cn[nH]c1)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000195117723 532471829 /nfs/dbraw/zinc/47/18/29/532471829.db2.gz KDWMETGPNLRHMP-UHFFFAOYSA-N -1 1 381.845 2.167 20 0 GEADMM COc1ccc(O)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000468968748 532484007 /nfs/dbraw/zinc/48/40/07/532484007.db2.gz MTICKOZMMXCWQN-UHFFFAOYSA-N -1 1 387.797 2.318 20 0 GEADMM CCOC1(CS(=O)(=O)[N-]c2cc(C(=O)NC)ccc2Cl)CCOCC1 ZINC000629287069 532484815 /nfs/dbraw/zinc/48/48/15/532484815.db2.gz MHIPHJPKHKFBQH-UHFFFAOYSA-N -1 1 390.889 2.027 20 0 GEADMM CCC(O)(CC)CN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000629641177 532497246 /nfs/dbraw/zinc/49/72/46/532497246.db2.gz SRQKCQCXBVYSMI-UHFFFAOYSA-N -1 1 397.324 2.281 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000685505572 532494941 /nfs/dbraw/zinc/49/49/41/532494941.db2.gz VMTUDTZDALRSCX-VXGBXAGGSA-N -1 1 375.809 2.166 20 0 GEADMM C[C@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1nccs1 ZINC000282782883 532496341 /nfs/dbraw/zinc/49/63/41/532496341.db2.gz YGPMQGMJQRHOFP-SNVBAGLBSA-N -1 1 378.420 2.347 20 0 GEADMM O=C(c1ccccn1)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000195296367 532475514 /nfs/dbraw/zinc/47/55/14/532475514.db2.gz MMCRAPXHHSKIIC-UHFFFAOYSA-N -1 1 390.237 2.148 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H](O)C(F)F ZINC000295788042 532476098 /nfs/dbraw/zinc/47/60/98/532476098.db2.gz RHIQUQNSWCGXJC-HTQZYQBOSA-N -1 1 393.637 2.180 20 0 GEADMM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000430977350 532502853 /nfs/dbraw/zinc/50/28/53/532502853.db2.gz KOJYMFVHYTUAHF-VOIUYBSRSA-N -1 1 381.475 2.123 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)c1F ZINC000594457722 532506876 /nfs/dbraw/zinc/50/68/76/532506876.db2.gz NNWZIMFGMSKGLU-JTQLQIEISA-N -1 1 381.853 2.341 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@@H]2C)c1F ZINC000594462688 532507811 /nfs/dbraw/zinc/50/78/11/532507811.db2.gz FZLYIOJMNHSQQY-AEJSXWLSSA-N -1 1 379.837 2.358 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000630223895 532509332 /nfs/dbraw/zinc/50/93/32/532509332.db2.gz MLFUZHINTSJLKU-LLVKDONJSA-N -1 1 375.252 2.380 20 0 GEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000630223288 532509829 /nfs/dbraw/zinc/50/98/29/532509829.db2.gz IRGGNCKIHDGPMC-UHFFFAOYSA-N -1 1 395.297 2.488 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000630225294 532510302 /nfs/dbraw/zinc/51/03/02/532510302.db2.gz TUVQDCLUYJNHAR-NSHDSACASA-N -1 1 389.315 2.451 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000630225063 532510428 /nfs/dbraw/zinc/51/04/28/532510428.db2.gz SEZRQHFZRABMJQ-NSHDSACASA-N -1 1 387.249 2.138 20 0 GEADMM O=C(Nc1cc([O-])c(Br)cc1Br)[C@@H]1CCNC(=O)C1 ZINC000431449192 532513678 /nfs/dbraw/zinc/51/36/78/532513678.db2.gz ZIZQYCVBAWJGKP-ZCFIWIBFSA-N -1 1 392.047 2.382 20 0 GEADMM C[C@]1(C(=O)[O-])CCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000652480589 532513813 /nfs/dbraw/zinc/51/38/13/532513813.db2.gz KMFGHGYPTUFJBK-CQSZACIVSA-N -1 1 376.272 2.162 20 0 GEADMM O=C(NC[C@H](O)COCC1CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000520670111 532497502 /nfs/dbraw/zinc/49/75/02/532497502.db2.gz ANJRXDGBKCGZHU-NSHDSACASA-N -1 1 395.253 2.220 20 0 GEADMM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1sccc1Br)C1CC1 ZINC000594860027 532537518 /nfs/dbraw/zinc/53/75/18/532537518.db2.gz IUJCRWFLVBYNNH-VIFPVBQESA-N -1 1 382.301 2.378 20 0 GEADMM CC(C)Oc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C(N)=O ZINC000432491318 532539658 /nfs/dbraw/zinc/53/96/58/532539658.db2.gz RDADJDQKHTUXGD-UHFFFAOYSA-N -1 1 384.435 2.133 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000471111295 532542128 /nfs/dbraw/zinc/54/21/28/532542128.db2.gz AGHOJRCZBGGOSH-UHFFFAOYSA-N -1 1 377.447 2.224 20 0 GEADMM CCN1C[C@H](CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1=O ZINC000652830981 532521913 /nfs/dbraw/zinc/52/19/13/532521913.db2.gz QEJHDXUWDNYUOU-JTQLQIEISA-N -1 1 392.253 2.301 20 0 GEADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1 ZINC000522360621 532523796 /nfs/dbraw/zinc/52/37/96/532523796.db2.gz IXUUKEZVDHHEEV-XMMPIXPASA-N -1 1 381.475 2.461 20 0 GEADMM CCOC(=O)CC1([N-]S(=O)(=O)c2ncccc2Br)CCCC1 ZINC000594773038 532525202 /nfs/dbraw/zinc/52/52/02/532525202.db2.gz PXUSJJXMYMANMS-UHFFFAOYSA-N -1 1 391.287 2.388 20 0 GEADMM CCOCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564545441 532527405 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CCc1nc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)n[nH]1 ZINC000297097728 532566716 /nfs/dbraw/zinc/56/67/16/532566716.db2.gz OKEVCJPEPSTVHD-UHFFFAOYSA-N -1 1 397.657 2.401 20 0 GEADMM CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(Cl)c(C(=O)[O-])c3)C[C@H]21 ZINC000375578742 532567419 /nfs/dbraw/zinc/56/74/19/532567419.db2.gz QUXZWCXARIJBDB-NOZJJQNGSA-N -1 1 393.292 2.406 20 0 GEADMM CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000375577982 532567938 /nfs/dbraw/zinc/56/79/38/532567938.db2.gz NALDUTWKUOMOCK-NOZJJQNGSA-N -1 1 393.292 2.406 20 0 GEADMM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2ccc(Br)cc2)sn1 ZINC000632167123 532585170 /nfs/dbraw/zinc/58/51/70/532585170.db2.gz GKJCUKBGMBLQAQ-LLVKDONJSA-N -1 1 377.285 2.226 20 0 GEADMM CC1(c2cccc(Br)c2)CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC000632253035 532595750 /nfs/dbraw/zinc/59/57/50/532595750.db2.gz JQUDURWIAMRGOE-UHFFFAOYSA-N -1 1 378.274 2.475 20 0 GEADMM O=S(=O)([N-][C@@H](C1CCOCC1)C1(CO)CCC1)c1ccc(C(F)F)o1 ZINC000632484042 532614248 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Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ncccc1Br ZINC000656927916 532649447 /nfs/dbraw/zinc/64/94/47/532649447.db2.gz GATDZQDODPORJQ-JTQLQIEISA-N -1 1 377.285 2.226 20 0 GEADMM COCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000263936929 532650809 /nfs/dbraw/zinc/65/08/09/532650809.db2.gz IYQYKTWGIWKIIX-UHFFFAOYSA-N -1 1 387.845 2.122 20 0 GEADMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)CCC(=O)OC)cc1Cl ZINC000298447719 532651366 /nfs/dbraw/zinc/65/13/66/532651366.db2.gz XDYCEIVCJZRAAI-UHFFFAOYSA-N -1 1 376.862 2.127 20 0 GEADMM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656979212 532652220 /nfs/dbraw/zinc/65/22/20/532652220.db2.gz OREFBBYPZCRBMG-ZCFIWIBFSA-N -1 1 393.086 2.042 20 0 GEADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000567388472 532652446 /nfs/dbraw/zinc/65/24/46/532652446.db2.gz VQCDLHJKBAOWGW-UHFFFAOYSA-N -1 1 376.406 2.214 20 0 GEADMM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC000477424973 532652897 /nfs/dbraw/zinc/65/28/97/532652897.db2.gz 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O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000274947615 532860103 /nfs/dbraw/zinc/86/01/03/532860103.db2.gz HNXINFCWLUGREA-LLVKDONJSA-N -1 1 381.281 2.211 20 0 GEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000274947543 532860322 /nfs/dbraw/zinc/86/03/22/532860322.db2.gz HMIQNHLBQFECLJ-MRVPVSSYSA-N -1 1 387.310 2.272 20 0 GEADMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)no1 ZINC000289655862 532862278 /nfs/dbraw/zinc/86/22/78/532862278.db2.gz VREBGWVUKHIQSW-MRVPVSSYSA-N -1 1 379.360 2.451 20 0 GEADMM O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000275043017 532862330 /nfs/dbraw/zinc/86/23/30/532862330.db2.gz RHXRXDRXKQXFBP-RQJHMYQMSA-N -1 1 382.182 2.035 20 0 GEADMM CC(C)(NC(=O)Cc1cc(Cl)c(Br)cc1F)c1nn[n-]n1 ZINC000416158201 532865230 /nfs/dbraw/zinc/86/52/30/532865230.db2.gz SBULDQXILRDYSZ-UHFFFAOYSA-N -1 1 376.617 2.349 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000416240377 532868539 /nfs/dbraw/zinc/86/85/39/532868539.db2.gz BKGOMRYZVCXBHI-VIFPVBQESA-N -1 1 398.188 2.215 20 0 GEADMM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000275216714 532868905 /nfs/dbraw/zinc/86/89/05/532868905.db2.gz BPNNWCHKQVFLMZ-HZMBPMFUSA-N -1 1 375.372 2.129 20 0 GEADMM Cc1noc(C)c1CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290029697 532870728 /nfs/dbraw/zinc/87/07/28/532870728.db2.gz FXEZNIVBWPNAEY-UHFFFAOYSA-N -1 1 392.264 2.193 20 0 GEADMM O=S(=O)([N-]c1cc(C2CC2)n[nH]1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000275498588 532877306 /nfs/dbraw/zinc/87/73/06/532877306.db2.gz LDOWFXFKBYJAAR-UHFFFAOYSA-N -1 1 395.384 2.381 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)C)C(F)F ZINC000349475921 532881623 /nfs/dbraw/zinc/88/16/23/532881623.db2.gz YSEFZLOPQTUCDW-LLVKDONJSA-N -1 1 384.470 2.038 20 0 GEADMM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1)C1CCCCC1 ZINC000349558545 532882941 /nfs/dbraw/zinc/88/29/41/532882941.db2.gz RYRNWWHYMFRGLZ-CQSZACIVSA-N -1 1 389.543 2.102 20 0 GEADMM CC[C@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349558782 532883033 /nfs/dbraw/zinc/88/30/33/532883033.db2.gz SVESVDORVWXMDJ-GJZGRUSLSA-N -1 1 389.543 2.020 20 0 GEADMM C[C@H]1CC(C)(C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349597709 532883644 /nfs/dbraw/zinc/88/36/44/532883644.db2.gz FHWRWNGFEKCUIL-AWEZNQCLSA-N -1 1 389.543 2.054 20 0 GEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000421155672 532888477 /nfs/dbraw/zinc/88/84/77/532888477.db2.gz OFDNYNIYQAKPOF-AWEZNQCLSA-N -1 1 377.388 2.445 20 0 GEADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(F)c(Cl)cc1N1CCOCC1)OC ZINC000421168459 532889247 /nfs/dbraw/zinc/88/92/47/532889247.db2.gz YAJZXZZZVPHCNP-NSHDSACASA-N -1 1 380.869 2.482 20 0 GEADMM O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000360828405 532891159 /nfs/dbraw/zinc/89/11/59/532891159.db2.gz IYGDCLFDPJDXJM-MRVWCRGKSA-N -1 1 376.258 2.472 20 0 GEADMM CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000360976274 532891713 /nfs/dbraw/zinc/89/17/13/532891713.db2.gz FCQIEPMKTYDLKG-GXTWGEPZSA-N -1 1 394.273 2.131 20 0 GEADMM CNC(=O)[C@]1(C)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290931377 532893175 /nfs/dbraw/zinc/89/31/75/532893175.db2.gz SAWONBPSUMTOCT-QGZVFWFLSA-N -1 1 392.253 2.301 20 0 GEADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC000276295310 532892741 /nfs/dbraw/zinc/89/27/41/532892741.db2.gz BUZNNCGUGAWHLE-UHFFFAOYSA-N -1 1 383.857 2.489 20 0 GEADMM CN1CC[C@@H](CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1=O ZINC000424940830 532898004 /nfs/dbraw/zinc/89/80/04/532898004.db2.gz COMCQDDCVJOKHO-SNVBAGLBSA-N -1 1 392.253 2.301 20 0 GEADMM C[C@H](O)C[C@@H]1COCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291641219 532906112 /nfs/dbraw/zinc/90/61/12/532906112.db2.gz IUBGZBNSAQYLPW-WDEREUQCSA-N -1 1 395.253 2.315 20 0 GEADMM C[C@@H](CN(C)C(=O)c1nc2ccccc2cc1Br)c1nn[n-]n1 ZINC000291695115 532907535 /nfs/dbraw/zinc/90/75/35/532907535.db2.gz OIPMRLDLJMRTHH-VIFPVBQESA-N -1 1 375.230 2.386 20 0 GEADMM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000291937263 532910835 /nfs/dbraw/zinc/91/08/35/532910835.db2.gz MSXQXSCIXBUINC-YFKPBYRVSA-N -1 1 390.086 2.169 20 0 GEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)OC ZINC000291983167 532911465 /nfs/dbraw/zinc/91/14/65/532911465.db2.gz SEFBKPXVFFMDGP-SECBINFHSA-N -1 1 376.645 2.113 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc(OC)c1C ZINC000292287644 532915058 /nfs/dbraw/zinc/91/50/58/532915058.db2.gz IYVZVIIGCILVFA-UHFFFAOYSA-N -1 1 385.463 2.217 20 0 GEADMM CSc1nc(=NC(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)s[n-]1 ZINC000366270987 532915841 /nfs/dbraw/zinc/91/58/41/532915841.db2.gz PCRSPLCZWRUVRH-CABZTGNLSA-N -1 1 398.583 2.479 20 0 GEADMM CSc1nc(=NC(=O)N[C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)s[n-]1 ZINC000366270987 532915842 /nfs/dbraw/zinc/91/58/42/532915842.db2.gz PCRSPLCZWRUVRH-CABZTGNLSA-N -1 1 398.583 2.479 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@H](O)c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000292135730 532913792 /nfs/dbraw/zinc/91/37/92/532913792.db2.gz SYGMSSVIXBSYRR-ZWNOBZJWSA-N -1 1 378.778 2.291 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000292220982 532914397 /nfs/dbraw/zinc/91/43/97/532914397.db2.gz MEYQLQVBAOKBBQ-AWEZNQCLSA-N -1 1 384.504 2.331 20 0 GEADMM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1cccc2c1OCCO2 ZINC000292805307 532918533 /nfs/dbraw/zinc/91/85/33/532918533.db2.gz MPTPUJDKDACPRR-LLVKDONJSA-N -1 1 380.369 2.496 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000293030174 532921257 /nfs/dbraw/zinc/92/12/57/532921257.db2.gz IWUZIQHVDALLDY-PELKAZGASA-N -1 1 395.428 2.481 20 0 GEADMM O=c1nc([C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)[nH][n-]1 ZINC000293059105 532921640 /nfs/dbraw/zinc/92/16/40/532921640.db2.gz KYHWAWZNDBROFG-JTQLQIEISA-N -1 1 391.280 2.114 20 0 GEADMM CCOCCS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000367242372 532923649 /nfs/dbraw/zinc/92/36/49/532923649.db2.gz ZIVAEGLWIOHWEL-ZDUSSCGKSA-N -1 1 377.825 2.216 20 0 GEADMM Cc1nc([C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)c2ccc(Cl)c(F)c2)no1 ZINC000368942711 532935766 /nfs/dbraw/zinc/93/57/66/532935766.db2.gz YYEKUYSACIGKGU-MCCGJVOXSA-N -1 1 389.836 2.357 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ncccc3Cl)CC2)co1 ZINC000369349003 532938599 /nfs/dbraw/zinc/93/85/99/532938599.db2.gz KUONXCGKLIZLIG-UHFFFAOYSA-N -1 1 383.857 2.256 20 0 GEADMM O=S(=O)([N-]CC(F)(F)F)NCC1CCN(Cc2ccccc2F)CC1 ZINC000369711617 532940528 /nfs/dbraw/zinc/94/05/28/532940528.db2.gz DTJVXORONHQBDH-UHFFFAOYSA-N -1 1 383.411 2.024 20 0 GEADMM CCCn1nc2c(cc1=O)CN(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC000371172805 532947158 /nfs/dbraw/zinc/94/71/58/532947158.db2.gz CNDIUUYBJPAWGJ-UHFFFAOYSA-N -1 1 392.253 2.320 20 0 GEADMM C[C@H](Cc1nc(-c2ccccc2)no1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000371215606 532947299 /nfs/dbraw/zinc/94/72/99/532947299.db2.gz MDFVFDDPXWINEJ-SNVBAGLBSA-N -1 1 381.845 2.033 20 0 GEADMM C[C@H](C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)n1cncn1 ZINC000735546337 598833431 /nfs/dbraw/zinc/83/34/31/598833431.db2.gz ADNGVPBXAOALEN-LLVKDONJSA-N -1 1 380.437 2.064 20 0 GEADMM Cn1cc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)ccc1=O ZINC000737601299 598834001 /nfs/dbraw/zinc/83/40/01/598834001.db2.gz CCDQUMPNDDIWCG-UHFFFAOYSA-N -1 1 392.444 2.224 20 0 GEADMM C[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736227783 598835689 /nfs/dbraw/zinc/83/56/89/598835689.db2.gz FSJHBVBTEAHKTF-GOSISDBHSA-N -1 1 384.465 2.004 20 0 GEADMM C[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736227783 598835691 /nfs/dbraw/zinc/83/56/91/598835691.db2.gz FSJHBVBTEAHKTF-GOSISDBHSA-N -1 1 384.465 2.004 20 0 GEADMM CCCN(CCc1cccc(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736481169 598836440 /nfs/dbraw/zinc/83/64/40/598836440.db2.gz VEVNWSVEFYLTOX-UHFFFAOYSA-N -1 1 390.444 2.044 20 0 GEADMM CCCN(CCc1cccc(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736481169 598836442 /nfs/dbraw/zinc/83/64/42/598836442.db2.gz VEVNWSVEFYLTOX-UHFFFAOYSA-N -1 1 390.444 2.044 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1cccc[n+]1[O-] ZINC000738110462 598847606 /nfs/dbraw/zinc/84/76/06/598847606.db2.gz CREOAVBTXRSHLO-UHFFFAOYSA-N -1 1 378.417 2.159 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCOc1ccccc1 ZINC000737199468 598849674 /nfs/dbraw/zinc/84/96/74/598849674.db2.gz HFPBACVMZACEAQ-UHFFFAOYSA-N -1 1 396.451 2.102 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)C1CCCC1 ZINC000737487498 598865937 /nfs/dbraw/zinc/86/59/37/598865937.db2.gz KYRXZOVIUKORHH-LLVKDONJSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)C1CCCC1 ZINC000737487498 598865938 /nfs/dbraw/zinc/86/59/38/598865938.db2.gz KYRXZOVIUKORHH-LLVKDONJSA-N -1 1 382.472 2.154 20 0 GEADMM COC[C@@H](C)S(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736969217 598877225 /nfs/dbraw/zinc/87/72/25/598877225.db2.gz KRFSNAHMPIZTQT-LLVKDONJSA-N -1 1 393.494 2.050 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N(CCO)C1CC1 ZINC000738113157 598907273 /nfs/dbraw/zinc/90/72/73/598907273.db2.gz VMVNJUJVIGMPJW-UHFFFAOYSA-N -1 1 384.465 2.262 20 0 GEADMM Fc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737670183 598933833 /nfs/dbraw/zinc/93/38/33/598933833.db2.gz SUJQWAWCBJMVTK-UHFFFAOYSA-N -1 1 376.399 2.276 20 0 GEADMM Fc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737670183 598933834 /nfs/dbraw/zinc/93/38/34/598933834.db2.gz SUJQWAWCBJMVTK-UHFFFAOYSA-N -1 1 376.399 2.276 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000737225463 598947799 /nfs/dbraw/zinc/94/77/99/598947799.db2.gz NVTHTJJSROCKFE-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000737223670 598948988 /nfs/dbraw/zinc/94/89/88/598948988.db2.gz BDXGYRCETOYCOM-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCc1ccc2c(c1)OCCO2 ZINC000738438040 598955365 /nfs/dbraw/zinc/95/53/65/598955365.db2.gz VGVVBJQRVSGBFC-UHFFFAOYSA-N -1 1 375.392 2.236 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCc1ccc2c(c1)OCCO2 ZINC000738438040 598955366 /nfs/dbraw/zinc/95/53/66/598955366.db2.gz VGVVBJQRVSGBFC-UHFFFAOYSA-N -1 1 375.392 2.236 20 0 GEADMM Cn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000737591440 598955777 /nfs/dbraw/zinc/95/57/77/598955777.db2.gz FECJVLJVYAQWGX-UHFFFAOYSA-N -1 1 377.393 2.350 20 0 GEADMM COC(=O)c1ccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736950042 598956334 /nfs/dbraw/zinc/95/63/34/598956334.db2.gz GCCRNAYDNPFOQB-UHFFFAOYSA-N -1 1 375.392 2.251 20 0 GEADMM COC(=O)c1ccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736950042 598956335 /nfs/dbraw/zinc/95/63/35/598956335.db2.gz GCCRNAYDNPFOQB-UHFFFAOYSA-N -1 1 375.392 2.251 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CC2(O)CCCCC2)c1-c1nn[n-]n1 ZINC000737504461 598964899 /nfs/dbraw/zinc/96/48/99/598964899.db2.gz ZSHFVLFSQOWGPI-UHFFFAOYSA-N -1 1 396.451 2.489 20 0 GEADMM O=C(CC1CCCCC1)NCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737823287 598965584 /nfs/dbraw/zinc/96/55/84/598965584.db2.gz QGZVJXMKZLKBIT-UHFFFAOYSA-N -1 1 380.456 2.308 20 0 GEADMM O=C(CC1CCCCC1)NCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737823287 598965585 /nfs/dbraw/zinc/96/55/85/598965585.db2.gz QGZVJXMKZLKBIT-UHFFFAOYSA-N -1 1 380.456 2.308 20 0 GEADMM CC(C)c1nc2c(n1C)CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000735942218 598966512 /nfs/dbraw/zinc/96/65/12/598966512.db2.gz FEDPCFCWBCYXHL-UHFFFAOYSA-N -1 1 375.440 2.230 20 0 GEADMM CC(C)c1nc2c(n1C)CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000735942218 598966513 /nfs/dbraw/zinc/96/65/13/598966513.db2.gz FEDPCFCWBCYXHL-UHFFFAOYSA-N -1 1 375.440 2.230 20 0 GEADMM c1ccc(N2CCOCC2)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000738436081 598964328 /nfs/dbraw/zinc/96/43/28/598964328.db2.gz OOMCNYAZCIKKJX-UHFFFAOYSA-N -1 1 388.435 2.259 20 0 GEADMM c1ccc(N2CCOCC2)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000738436081 598964330 /nfs/dbraw/zinc/96/43/30/598964330.db2.gz OOMCNYAZCIKKJX-UHFFFAOYSA-N -1 1 388.435 2.259 20 0 GEADMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736055549 598991800 /nfs/dbraw/zinc/99/18/00/598991800.db2.gz GOAUIZSXQVFWHH-SNVBAGLBSA-N -1 1 387.241 2.385 20 0 GEADMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736055549 598991801 /nfs/dbraw/zinc/99/18/01/598991801.db2.gz GOAUIZSXQVFWHH-SNVBAGLBSA-N -1 1 387.241 2.385 20 0 GEADMM O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738177220 598994633 /nfs/dbraw/zinc/99/46/33/598994633.db2.gz GUYTVIAGHMHEKB-UHFFFAOYSA-N -1 1 383.375 2.224 20 0 GEADMM O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738177220 598994634 /nfs/dbraw/zinc/99/46/34/598994634.db2.gz GUYTVIAGHMHEKB-UHFFFAOYSA-N -1 1 383.375 2.224 20 0 GEADMM O=C(NCc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738102915 598996487 /nfs/dbraw/zinc/99/64/87/598996487.db2.gz XFQZAIMDGMHMNP-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(NCc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738102915 598996488 /nfs/dbraw/zinc/99/64/88/598996488.db2.gz XFQZAIMDGMHMNP-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000738258628 598996657 /nfs/dbraw/zinc/99/66/57/598996657.db2.gz JFAKOWNHTPNBFX-IUCAKERBSA-N -1 1 394.279 2.465 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000738258628 598996658 /nfs/dbraw/zinc/99/66/58/598996658.db2.gz JFAKOWNHTPNBFX-IUCAKERBSA-N -1 1 394.279 2.465 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1N1CCSCC1 ZINC000737273642 599000114 /nfs/dbraw/zinc/00/01/14/599000114.db2.gz HQCJDOMRWLFFNX-UHFFFAOYSA-N -1 1 381.465 2.376 20 0 GEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1N1CCSCC1 ZINC000737273642 599000116 /nfs/dbraw/zinc/00/01/16/599000116.db2.gz HQCJDOMRWLFFNX-UHFFFAOYSA-N -1 1 381.465 2.376 20 0 GEADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1(C)C ZINC000736609789 599008744 /nfs/dbraw/zinc/00/87/44/599008744.db2.gz FTBBGDWJBOKDIB-STQMWFEESA-N -1 1 399.904 2.344 20 0 GEADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1(C)C ZINC000736609789 599008746 /nfs/dbraw/zinc/00/87/46/599008746.db2.gz FTBBGDWJBOKDIB-STQMWFEESA-N -1 1 399.904 2.344 20 0 GEADMM O=C(NCC1(c2ccccc2Br)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738044325 599040074 /nfs/dbraw/zinc/04/00/74/599040074.db2.gz JKUGXIUNCAMCRI-UHFFFAOYSA-N -1 1 399.252 2.486 20 0 GEADMM O=C(NCC1(c2ccccc2Br)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738044325 599040076 /nfs/dbraw/zinc/04/00/76/599040076.db2.gz JKUGXIUNCAMCRI-UHFFFAOYSA-N -1 1 399.252 2.486 20 0 GEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1C(=O)OC(C)(C)C ZINC000820776979 599044399 /nfs/dbraw/zinc/04/43/99/599044399.db2.gz OLXJQESOOJMCBU-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1C(=O)OC(C)(C)C ZINC000820776979 599044400 /nfs/dbraw/zinc/04/44/00/599044400.db2.gz OLXJQESOOJMCBU-SNVBAGLBSA-N -1 1 379.852 2.361 20 0 GEADMM COC(=O)c1occc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000821670988 599125154 /nfs/dbraw/zinc/12/51/54/599125154.db2.gz BDXBCURDIRIGOZ-UHFFFAOYSA-N -1 1 385.767 2.263 20 0 GEADMM O=C(OCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738243949 599137850 /nfs/dbraw/zinc/13/78/50/599137850.db2.gz DSKFDXQGJPCDSL-UHFFFAOYSA-N -1 1 387.403 2.293 20 0 GEADMM O=C(OCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738243949 599137852 /nfs/dbraw/zinc/13/78/52/599137852.db2.gz DSKFDXQGJPCDSL-UHFFFAOYSA-N -1 1 387.403 2.293 20 0 GEADMM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737189921 599139013 /nfs/dbraw/zinc/13/90/13/599139013.db2.gz DSBCEDCSTCZTFD-JTQLQIEISA-N -1 1 384.421 2.168 20 0 GEADMM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737189921 599139015 /nfs/dbraw/zinc/13/90/15/599139015.db2.gz DSBCEDCSTCZTFD-JTQLQIEISA-N -1 1 384.421 2.168 20 0 GEADMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737343697 599141573 /nfs/dbraw/zinc/14/15/73/599141573.db2.gz TUXMXQPUHYFGQU-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737343697 599141575 /nfs/dbraw/zinc/14/15/75/599141575.db2.gz TUXMXQPUHYFGQU-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM COc1ccc(-c2cnc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)o2)cc1 ZINC000737057873 599143768 /nfs/dbraw/zinc/14/37/68/599143768.db2.gz UOEXWONDRGGLHS-UHFFFAOYSA-N -1 1 378.348 2.282 20 0 GEADMM COc1ccc(-c2cnc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)o2)cc1 ZINC000737057873 599143771 /nfs/dbraw/zinc/14/37/71/599143771.db2.gz UOEXWONDRGGLHS-UHFFFAOYSA-N -1 1 378.348 2.282 20 0 GEADMM COC(=O)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000736930593 599197547 /nfs/dbraw/zinc/19/75/47/599197547.db2.gz FSGPYESXCNRHOE-UHFFFAOYSA-N -1 1 387.783 2.215 20 0 GEADMM CCSCC[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821455027 599218362 /nfs/dbraw/zinc/21/83/62/599218362.db2.gz IKNGLKKROBUYFY-JTQLQIEISA-N -1 1 378.502 2.165 20 0 GEADMM O=C(O[C@@H]1CCNC1=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823396730 607262359 /nfs/dbraw/zinc/26/23/59/607262359.db2.gz MOAFXGCFIKBZGQ-CQSZACIVSA-N -1 1 399.794 2.358 20 0 GEADMM CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)C1CCC1 ZINC000736733854 599228278 /nfs/dbraw/zinc/22/82/78/599228278.db2.gz ZRSIVALVQKBCOZ-UHFFFAOYSA-N -1 1 397.439 2.342 20 0 GEADMM Cc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000822233454 599236605 /nfs/dbraw/zinc/23/66/05/599236605.db2.gz PIWLMXFFZWGZBG-ABAIWWIYSA-N -1 1 388.453 2.325 20 0 GEADMM Cc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000822233454 599236606 /nfs/dbraw/zinc/23/66/06/599236606.db2.gz PIWLMXFFZWGZBG-ABAIWWIYSA-N -1 1 388.453 2.325 20 0 GEADMM Cc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000822233457 599236926 /nfs/dbraw/zinc/23/69/26/599236926.db2.gz PIWLMXFFZWGZBG-XHDPSFHLSA-N -1 1 388.453 2.325 20 0 GEADMM Cc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000822233457 599236928 /nfs/dbraw/zinc/23/69/28/599236928.db2.gz PIWLMXFFZWGZBG-XHDPSFHLSA-N -1 1 388.453 2.325 20 0 GEADMM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735632898 599260984 /nfs/dbraw/zinc/26/09/84/599260984.db2.gz IHLVNIMFVUNUSO-UHFFFAOYSA-N -1 1 381.440 2.472 20 0 GEADMM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735632898 599260986 /nfs/dbraw/zinc/26/09/86/599260986.db2.gz IHLVNIMFVUNUSO-UHFFFAOYSA-N -1 1 381.440 2.472 20 0 GEADMM CC[C@]1(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)CCC(=O)NC1=O ZINC000820967654 607311464 /nfs/dbraw/zinc/31/14/64/607311464.db2.gz SBBMLOQCTGNXAN-LJQANCHMSA-N -1 1 380.408 2.156 20 0 GEADMM CC[C@]1(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)CCC(=O)NC1=O ZINC000820967654 607311465 /nfs/dbraw/zinc/31/14/65/607311465.db2.gz SBBMLOQCTGNXAN-LJQANCHMSA-N -1 1 380.408 2.156 20 0 GEADMM CC(C)(C)CC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735593651 599266726 /nfs/dbraw/zinc/26/67/26/599266726.db2.gz MBESJJMOWPNZFM-UHFFFAOYSA-N -1 1 379.468 2.500 20 0 GEADMM CC(C)(C)CC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735593651 599266730 /nfs/dbraw/zinc/26/67/30/599266730.db2.gz MBESJJMOWPNZFM-UHFFFAOYSA-N -1 1 379.468 2.500 20 0 GEADMM O=C([O-])C1CCC(NC(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000821488178 597611134 /nfs/dbraw/zinc/61/11/34/597611134.db2.gz DXLZFIFNGKYMEL-UHFFFAOYSA-N -1 1 381.517 2.164 20 0 GEADMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821824180 607328063 /nfs/dbraw/zinc/32/80/63/607328063.db2.gz JVGDUBWDZLKHEU-UHFFFAOYSA-N -1 1 383.792 2.469 20 0 GEADMM CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccn1 ZINC000736431776 598260608 /nfs/dbraw/zinc/26/06/08/598260608.db2.gz TYGSVBWXMCPXCX-ZDUSSCGKSA-N -1 1 385.453 2.355 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C2CCCCC2)CC1 ZINC000738356107 598266256 /nfs/dbraw/zinc/26/62/56/598266256.db2.gz WZGCBSCRBJBVMB-UHFFFAOYSA-N -1 1 376.486 2.243 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C2CCCCC2)CC1 ZINC000738356107 598266257 /nfs/dbraw/zinc/26/62/57/598266257.db2.gz WZGCBSCRBJBVMB-UHFFFAOYSA-N -1 1 376.486 2.243 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1C(F)(F)F ZINC000736129255 598268349 /nfs/dbraw/zinc/26/83/49/598268349.db2.gz FEDBNJWAGBCZQW-SECBINFHSA-N -1 1 398.370 2.320 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1C(F)(F)F ZINC000736129255 598268351 /nfs/dbraw/zinc/26/83/51/598268351.db2.gz FEDBNJWAGBCZQW-SECBINFHSA-N -1 1 398.370 2.320 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(Cl)c1 ZINC000736132363 598268756 /nfs/dbraw/zinc/26/87/56/598268756.db2.gz VJVLMZOEIWLCKM-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(Cl)c1 ZINC000736132363 598268757 /nfs/dbraw/zinc/26/87/57/598268757.db2.gz VJVLMZOEIWLCKM-QMMMGPOBSA-N -1 1 382.808 2.094 20 0 GEADMM CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736479217 598269851 /nfs/dbraw/zinc/26/98/51/598269851.db2.gz DONRKOJUPQEOKZ-UHFFFAOYSA-N -1 1 376.417 2.002 20 0 GEADMM CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736479217 598269854 /nfs/dbraw/zinc/26/98/54/598269854.db2.gz DONRKOJUPQEOKZ-UHFFFAOYSA-N -1 1 376.417 2.002 20 0 GEADMM CC1(C)CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000736210878 598270098 /nfs/dbraw/zinc/27/00/98/598270098.db2.gz KCURINBBIVVIEP-HNNXBMFYSA-N -1 1 384.465 2.353 20 0 GEADMM CC1(C)CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000736210878 598270100 /nfs/dbraw/zinc/27/01/00/598270100.db2.gz KCURINBBIVVIEP-HNNXBMFYSA-N -1 1 384.465 2.353 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)C(=O)NC(C)(C)C ZINC000737549496 598297805 /nfs/dbraw/zinc/29/78/05/598297805.db2.gz VYUNAMYBDQAANX-NSHDSACASA-N -1 1 386.412 2.019 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)C(=O)NC(C)(C)C ZINC000737549496 598297807 /nfs/dbraw/zinc/29/78/07/598297807.db2.gz VYUNAMYBDQAANX-NSHDSACASA-N -1 1 386.412 2.019 20 0 GEADMM C[C@@H](c1nc2ccccc2s1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736203976 598339166 /nfs/dbraw/zinc/33/91/66/598339166.db2.gz PUISMYCHTSUTER-LBPRGKRZSA-N -1 1 393.480 2.150 20 0 GEADMM C[C@@H](c1nc2ccccc2s1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736203976 598339168 /nfs/dbraw/zinc/33/91/68/598339168.db2.gz PUISMYCHTSUTER-LBPRGKRZSA-N -1 1 393.480 2.150 20 0 GEADMM O[C@@](CNc1nccnc1-c1nnn[n-]1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000738384503 598351102 /nfs/dbraw/zinc/35/11/02/598351102.db2.gz RKLSGNDDINXTKY-ZDUSSCGKSA-N -1 1 385.737 2.172 20 0 GEADMM O[C@@](CNc1nccnc1-c1nn[n-]n1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000738384503 598351105 /nfs/dbraw/zinc/35/11/05/598351105.db2.gz RKLSGNDDINXTKY-ZDUSSCGKSA-N -1 1 385.737 2.172 20 0 GEADMM CCOc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000736645176 598369473 /nfs/dbraw/zinc/36/94/73/598369473.db2.gz XETNJHSLLFROOI-UHFFFAOYSA-N -1 1 395.391 2.022 20 0 GEADMM COc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737046491 598471911 /nfs/dbraw/zinc/47/19/11/598471911.db2.gz DINMEFVZWROTDU-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCc1nccs1 ZINC000737546222 598506090 /nfs/dbraw/zinc/50/60/90/598506090.db2.gz AVWMOGKRCZDWBB-UHFFFAOYSA-N -1 1 383.437 2.378 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCc1nccs1 ZINC000737546222 598506092 /nfs/dbraw/zinc/50/60/92/598506092.db2.gz AVWMOGKRCZDWBB-UHFFFAOYSA-N -1 1 383.437 2.378 20 0 GEADMM Clc1ccc(N[C@H](CN2CCOCC2)c2ccccc2)nc1-c1nnn[n-]1 ZINC000737576229 598571662 /nfs/dbraw/zinc/57/16/62/598571662.db2.gz ZBLGXVJKWWNYJT-OAHLLOKOSA-N -1 1 385.859 2.401 20 0 GEADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736425274 598578866 /nfs/dbraw/zinc/57/88/66/598578866.db2.gz VFIJURNLMFDGCR-RYUDHWBXSA-N -1 1 377.880 2.436 20 0 GEADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736425274 598578867 /nfs/dbraw/zinc/57/88/67/598578867.db2.gz VFIJURNLMFDGCR-RYUDHWBXSA-N -1 1 377.880 2.436 20 0 GEADMM CCOc1cccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000736654945 598580228 /nfs/dbraw/zinc/58/02/28/598580228.db2.gz NXPSTPFHTZZWCN-UHFFFAOYSA-N -1 1 386.847 2.035 20 0 GEADMM CCOc1cccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000736654945 598580229 /nfs/dbraw/zinc/58/02/29/598580229.db2.gz NXPSTPFHTZZWCN-UHFFFAOYSA-N -1 1 386.847 2.035 20 0 GEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736664492 598598792 /nfs/dbraw/zinc/59/87/92/598598792.db2.gz MDZWOLHQAGZJNJ-UHFFFAOYSA-N -1 1 390.400 2.020 20 0 GEADMM COc1ccc(-c2noc(CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)n2)cc1 ZINC000737063606 598609578 /nfs/dbraw/zinc/60/95/78/598609578.db2.gz ZEKAZUKHFNBHFH-UHFFFAOYSA-N -1 1 393.407 2.428 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820390585 607360860 /nfs/dbraw/zinc/36/08/60/607360860.db2.gz IUBYCOIFYBYYJL-XLKFXECMSA-N -1 1 393.234 2.420 20 0 GEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820390585 607360861 /nfs/dbraw/zinc/36/08/61/607360861.db2.gz IUBYCOIFYBYYJL-XLKFXECMSA-N -1 1 393.234 2.420 20 0 GEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](O)c1c(F)cccc1F ZINC000820919444 607361071 /nfs/dbraw/zinc/36/10/71/607361071.db2.gz CAIZDYDQGLLNIP-HZMBPMFUSA-N -1 1 379.392 2.448 20 0 GEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](O)c1c(F)cccc1F ZINC000820919444 607361073 /nfs/dbraw/zinc/36/10/73/607361073.db2.gz CAIZDYDQGLLNIP-HZMBPMFUSA-N -1 1 379.392 2.448 20 0 GEADMM CCc1nn(Cc2ccc(Br)s2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707886 598642614 /nfs/dbraw/zinc/64/26/14/598642614.db2.gz VYSNEUBFWGRRIQ-UHFFFAOYSA-N -1 1 395.286 2.421 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000737987095 598677516 /nfs/dbraw/zinc/67/75/16/598677516.db2.gz QWUHOZYIBYAWHH-UHFFFAOYSA-N -1 1 398.732 2.339 20 0 GEADMM COc1ccc2c(c1)CN([C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC2 ZINC000821849613 607364268 /nfs/dbraw/zinc/36/42/68/607364268.db2.gz NDKGAWQARLCGLL-LBPRGKRZSA-N -1 1 396.451 2.470 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000736131796 598686347 /nfs/dbraw/zinc/68/63/47/598686347.db2.gz SAYFWADYFZKITH-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM CCCOc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736489915 598691501 /nfs/dbraw/zinc/69/15/01/598691501.db2.gz DYRBYWQEOSPAAU-UHFFFAOYSA-N -1 1 391.428 2.273 20 0 GEADMM CC(C)Oc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735912714 598691632 /nfs/dbraw/zinc/69/16/32/598691632.db2.gz BKZNMVGOFMNZPI-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM COc1cccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737126065 598691943 /nfs/dbraw/zinc/69/19/43/598691943.db2.gz KTPMKRSDJKUISE-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738354611 598711675 /nfs/dbraw/zinc/71/16/75/598711675.db2.gz IERPKFIPPVHEGR-GFCCVEGCSA-N -1 1 390.856 2.093 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738354611 598711677 /nfs/dbraw/zinc/71/16/77/598711677.db2.gz IERPKFIPPVHEGR-GFCCVEGCSA-N -1 1 390.856 2.093 20 0 GEADMM Cc1cnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)cn1 ZINC000737445928 598723324 /nfs/dbraw/zinc/72/33/24/598723324.db2.gz LTITXFIJQRGTGC-UHFFFAOYSA-N -1 1 398.224 2.091 20 0 GEADMM COc1cccc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000737132651 598800613 /nfs/dbraw/zinc/80/06/13/598800613.db2.gz OWFJPKLLGAWSQG-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM COc1cccc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000737132651 598800615 /nfs/dbraw/zinc/80/06/15/598800615.db2.gz OWFJPKLLGAWSQG-UHFFFAOYSA-N -1 1 380.364 2.319 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000737486307 598809827 /nfs/dbraw/zinc/80/98/27/598809827.db2.gz CZXLUXAEJHPABY-PSTGCABASA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000737486307 598809829 /nfs/dbraw/zinc/80/98/29/598809829.db2.gz CZXLUXAEJHPABY-PSTGCABASA-N -1 1 396.499 2.400 20 0 GEADMM CC[C@@H](CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)C ZINC000736332787 598816804 /nfs/dbraw/zinc/81/68/04/598816804.db2.gz OHFVSPIYTHXRNL-ZDUSSCGKSA-N -1 1 387.488 2.453 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOc2ccccc21 ZINC000823601044 599336969 /nfs/dbraw/zinc/33/69/69/599336969.db2.gz ORILMRCKNDIALC-UHFFFAOYSA-N -1 1 377.813 2.108 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000823606895 599341135 /nfs/dbraw/zinc/34/11/35/599341135.db2.gz OVDFWSLHSGMXIP-MPEURRAXSA-N -1 1 377.445 2.205 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000823606895 599341138 /nfs/dbraw/zinc/34/11/38/599341138.db2.gz OVDFWSLHSGMXIP-MPEURRAXSA-N -1 1 377.445 2.205 20 0 GEADMM Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000822427654 599342681 /nfs/dbraw/zinc/34/26/81/599342681.db2.gz SWEXDPSTDYJMIV-SECBINFHSA-N -1 1 396.473 2.461 20 0 GEADMM Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000822427654 599342684 /nfs/dbraw/zinc/34/26/84/599342684.db2.gz SWEXDPSTDYJMIV-SECBINFHSA-N -1 1 396.473 2.461 20 0 GEADMM Cc1ncsc1CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822482164 599343295 /nfs/dbraw/zinc/34/32/95/599343295.db2.gz KYXDNASVLGBRFN-UHFFFAOYSA-N -1 1 384.874 2.106 20 0 GEADMM CC1(C)[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)C[C@@H]21 ZINC000820586617 599358017 /nfs/dbraw/zinc/35/80/17/599358017.db2.gz XVZOMFGLNSYIOX-PHIMTYICSA-N -1 1 387.387 2.162 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1c1ccccc1 ZINC000820768064 599358026 /nfs/dbraw/zinc/35/80/26/599358026.db2.gz LLWJANPFBMZCNE-CZUORRHYSA-N -1 1 384.465 2.076 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1c1ccccc1 ZINC000820768064 599358028 /nfs/dbraw/zinc/35/80/28/599358028.db2.gz LLWJANPFBMZCNE-CZUORRHYSA-N -1 1 384.465 2.076 20 0 GEADMM Cc1ccc(C(C)(C)CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822227531 599364138 /nfs/dbraw/zinc/36/41/38/599364138.db2.gz MAQBFMLNQNNYAD-UHFFFAOYSA-N -1 1 386.481 2.168 20 0 GEADMM Cc1ccc(C(C)(C)CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822227531 599364140 /nfs/dbraw/zinc/36/41/40/599364140.db2.gz MAQBFMLNQNNYAD-UHFFFAOYSA-N -1 1 386.481 2.168 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC(C(F)(F)F)CC1 ZINC000823607797 599373479 /nfs/dbraw/zinc/37/34/79/599373479.db2.gz XIARLJDPTYDSFN-UHFFFAOYSA-N -1 1 395.794 2.483 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(C(F)(F)F)CC1 ZINC000823607797 599373481 /nfs/dbraw/zinc/37/34/81/599373481.db2.gz XIARLJDPTYDSFN-UHFFFAOYSA-N -1 1 395.794 2.483 20 0 GEADMM Clc1ccc([C@@H](CNc2cccc(-c3nnn[n-]3)n2)N2CCOCC2)cc1 ZINC000737570148 599421142 /nfs/dbraw/zinc/42/11/42/599421142.db2.gz CIRFBECJUXAGSL-MRXNPFEDSA-N -1 1 385.859 2.401 20 0 GEADMM Clc1ccc([C@@H](CNc2cccc(-c3nn[n-]n3)n2)N2CCOCC2)cc1 ZINC000737570148 599421146 /nfs/dbraw/zinc/42/11/46/599421146.db2.gz CIRFBECJUXAGSL-MRXNPFEDSA-N -1 1 385.859 2.401 20 0 GEADMM CC(C)N(C)C(=O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820112077 599473600 /nfs/dbraw/zinc/47/36/00/599473600.db2.gz IOCDQXKULBDLFN-UHFFFAOYSA-N -1 1 379.468 2.498 20 0 GEADMM CC(C)N(C)C(=O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820112077 599473602 /nfs/dbraw/zinc/47/36/02/599473602.db2.gz IOCDQXKULBDLFN-UHFFFAOYSA-N -1 1 379.468 2.498 20 0 GEADMM O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(Br)cc1[O-] ZINC000823242346 599491352 /nfs/dbraw/zinc/49/13/52/599491352.db2.gz VMDJEWACVKWQHP-UHFFFAOYSA-N -1 1 392.188 2.404 20 0 GEADMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1C ZINC000820637492 599492101 /nfs/dbraw/zinc/49/21/01/599492101.db2.gz YEIVOXGEASHLJM-HNNXBMFYSA-N -1 1 395.448 2.233 20 0 GEADMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1C ZINC000820637492 599492102 /nfs/dbraw/zinc/49/21/02/599492102.db2.gz YEIVOXGEASHLJM-HNNXBMFYSA-N -1 1 395.448 2.233 20 0 GEADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820864184 599494034 /nfs/dbraw/zinc/49/40/34/599494034.db2.gz XDXCFJGWSVRXGF-XTZNXHDOSA-N -1 1 390.513 2.388 20 0 GEADMM CCC(CC)(CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)SC ZINC000820887771 599494567 /nfs/dbraw/zinc/49/45/67/599494567.db2.gz PXPTWRFCPQGYGI-UHFFFAOYSA-N -1 1 382.515 2.341 20 0 GEADMM CC(C)COC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820096660 599507226 /nfs/dbraw/zinc/50/72/26/599507226.db2.gz DTAKBBGJIARUDE-UHFFFAOYSA-N -1 1 381.440 2.330 20 0 GEADMM CC(C)COC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820096660 599507230 /nfs/dbraw/zinc/50/72/30/599507230.db2.gz DTAKBBGJIARUDE-UHFFFAOYSA-N -1 1 381.440 2.330 20 0 GEADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)c1cccc(-c2nnn[n-]2)n1 ZINC000821608450 599576139 /nfs/dbraw/zinc/57/61/39/599576139.db2.gz HZPFNEZWCXVDLD-UHFFFAOYSA-N -1 1 376.323 2.228 20 0 GEADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)c1cccc(-c2nn[n-]n2)n1 ZINC000821608450 599576143 /nfs/dbraw/zinc/57/61/43/599576143.db2.gz HZPFNEZWCXVDLD-UHFFFAOYSA-N -1 1 376.323 2.228 20 0 GEADMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738266597 599577020 /nfs/dbraw/zinc/57/70/20/599577020.db2.gz JBJCFEHAQUPXEV-CQSZACIVSA-N -1 1 380.383 2.136 20 0 GEADMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738266597 599577023 /nfs/dbraw/zinc/57/70/23/599577023.db2.gz JBJCFEHAQUPXEV-CQSZACIVSA-N -1 1 380.383 2.136 20 0 GEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC[C@@H]1C1CC1 ZINC000738356201 599594715 /nfs/dbraw/zinc/59/47/15/599594715.db2.gz YLRKRBXRKWODJR-GFCCVEGCSA-N -1 1 387.387 2.449 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)c2cccs2)c(-c2nn[n-]n2)c1C ZINC000737550553 599607929 /nfs/dbraw/zinc/60/79/29/599607929.db2.gz ALZVOHLVPKOCHE-VIFPVBQESA-N -1 1 375.410 2.423 20 0 GEADMM COc1ccc(OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1OC ZINC000821837299 599627064 /nfs/dbraw/zinc/62/70/64/599627064.db2.gz CITRXJPLUIDGSS-UHFFFAOYSA-N -1 1 399.407 2.140 20 0 GEADMM CCc1noc([C@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000821553906 599651167 /nfs/dbraw/zinc/65/11/67/599651167.db2.gz LYCIBAHJLJRRAR-JTQLQIEISA-N -1 1 383.368 2.422 20 0 GEADMM CCc1noc([C@H](C)OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000821553906 599651168 /nfs/dbraw/zinc/65/11/68/599651168.db2.gz LYCIBAHJLJRRAR-JTQLQIEISA-N -1 1 383.368 2.422 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000826252120 607390379 /nfs/dbraw/zinc/39/03/79/607390379.db2.gz PXKJAIAFUPNSGV-UHFFFAOYSA-N -1 1 378.344 2.344 20 0 GEADMM O=C([O-])CSCCC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000739846762 599756676 /nfs/dbraw/zinc/75/66/76/599756676.db2.gz QCDFENTZOATRPY-UHFFFAOYSA-N -1 1 399.270 2.058 20 0 GEADMM O=C([O-])CSCCC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000739846762 599756678 /nfs/dbraw/zinc/75/66/78/599756678.db2.gz QCDFENTZOATRPY-UHFFFAOYSA-N -1 1 399.270 2.058 20 0 GEADMM CC(C)CN(CCC(=O)[O-])Cc1nnnn1-c1ccccc1Br ZINC000571172531 599770040 /nfs/dbraw/zinc/77/00/40/599770040.db2.gz ZYZMFFNARNZGRK-UHFFFAOYSA-N -1 1 382.262 2.358 20 0 GEADMM CCCOc1c(Cl)cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1OC ZINC000737027276 599778812 /nfs/dbraw/zinc/77/88/12/599778812.db2.gz AABHYQNVSWMAMG-ZDUSSCGKSA-N -1 1 381.816 2.286 20 0 GEADMM O=C([O-])[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(Br)cc1 ZINC000739498637 599789792 /nfs/dbraw/zinc/78/97/92/599789792.db2.gz BLJMMQOBEUHBCC-INIZCTEOSA-N -1 1 388.221 2.373 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000736205045 599796594 /nfs/dbraw/zinc/79/65/94/599796594.db2.gz MIDBNPQEQHLOJT-QGZVFWFLSA-N -1 1 387.524 2.295 20 0 GEADMM CC[C@H](C)[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736886046 599796660 /nfs/dbraw/zinc/79/66/60/599796660.db2.gz ORCVAQFPHYSIQN-LPHOPBHVSA-N -1 1 375.513 2.198 20 0 GEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736631537 599823660 /nfs/dbraw/zinc/82/36/60/599823660.db2.gz BHOVVQNFVNHHHV-CXAGYDPISA-N -1 1 380.464 2.047 20 0 GEADMM O=C([O-])CCc1ccc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000739761308 599830326 /nfs/dbraw/zinc/83/03/26/599830326.db2.gz SUJMONGLIHANAS-FQEVSTJZSA-N -1 1 397.475 2.245 20 0 GEADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000563892672 599841816 /nfs/dbraw/zinc/84/18/16/599841816.db2.gz TZSDUCBJUQBWLE-MRXNPFEDSA-N -1 1 398.481 2.456 20 0 GEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000736815671 599843359 /nfs/dbraw/zinc/84/33/59/599843359.db2.gz VRRACLKPPLHOPK-IIDMSEBBSA-N -1 1 377.485 2.204 20 0 GEADMM CN(C)S(=O)(=O)c1cccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000580440537 599865746 /nfs/dbraw/zinc/86/57/46/599865746.db2.gz GJYGHOFGZGPDOE-UHFFFAOYSA-N -1 1 398.431 2.302 20 0 GEADMM CN(CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)[C@H](CO)c1ccccc1 ZINC000737505099 599885581 /nfs/dbraw/zinc/88/55/81/599885581.db2.gz DROGATUNYZEBCG-QUCCMNQESA-N -1 1 395.459 2.387 20 0 GEADMM C[C@@H](O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000736678935 599959921 /nfs/dbraw/zinc/95/99/21/599959921.db2.gz ZKSJNJLKVPZECC-ZIAGYGMSSA-N -1 1 375.494 2.395 20 0 GEADMM O=C([O-])C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC000738562681 599965886 /nfs/dbraw/zinc/96/58/86/599965886.db2.gz CSIAFYJHIZXCNQ-MRXNPFEDSA-N -1 1 398.394 2.154 20 0 GEADMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)Cc1cccc(F)c1 ZINC000739501455 599978920 /nfs/dbraw/zinc/97/89/20/599978920.db2.gz JEDQAHVTDOTENQ-SNVBAGLBSA-N -1 1 391.342 2.465 20 0 GEADMM Cc1cccc(CN(CCN(C)C)S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000738307097 599985927 /nfs/dbraw/zinc/98/59/27/599985927.db2.gz BYDTYHIYTXSIFJ-UHFFFAOYSA-N -1 1 376.478 2.446 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000511700081 600006157 /nfs/dbraw/zinc/00/61/57/600006157.db2.gz JXBGBMLGDBDRAZ-UHFFFAOYSA-N -1 1 379.390 2.371 20 0 GEADMM Cc1nc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)sc1C(=O)[O-] ZINC000738363525 600054991 /nfs/dbraw/zinc/05/49/91/600054991.db2.gz JOFIRMJYIPERRS-UHFFFAOYSA-N -1 1 381.435 2.225 20 0 GEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000739555376 600081969 /nfs/dbraw/zinc/08/19/69/600081969.db2.gz YUDPJEKHANXWHA-ROUUACIJSA-N -1 1 394.475 2.106 20 0 GEADMM O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000740120073 600095640 /nfs/dbraw/zinc/09/56/40/600095640.db2.gz DATGCQDTPRUUJR-LBPRGKRZSA-N -1 1 392.399 2.262 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCN(C)CC2)c1C(=O)[O-] ZINC000738746331 600103800 /nfs/dbraw/zinc/10/38/00/600103800.db2.gz XAAXSWUWGKRYKY-UHFFFAOYSA-N -1 1 389.477 2.246 20 0 GEADMM Cc1ccc([C@H](CN2CCOCC2)NCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000738549925 600120098 /nfs/dbraw/zinc/12/00/98/600120098.db2.gz CKLFXJDXXKPKGS-FQEVSTJZSA-N -1 1 397.475 2.295 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC000739278519 600129238 /nfs/dbraw/zinc/12/92/38/600129238.db2.gz ODMVEMFRUHKHII-GOSISDBHSA-N -1 1 386.448 2.409 20 0 GEADMM CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262683760 600132407 /nfs/dbraw/zinc/13/24/07/600132407.db2.gz UHUGAFRVNQIEJJ-GDBMZVCRSA-N -1 1 375.469 2.292 20 0 GEADMM CC[C@](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)(C(=O)OC)c1ccccc1 ZINC000736920392 600135330 /nfs/dbraw/zinc/13/53/30/600135330.db2.gz MWXYVKHOJNUUFI-GOSISDBHSA-N -1 1 395.408 2.281 20 0 GEADMM CCC[C@@](C)(NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000736965506 600156432 /nfs/dbraw/zinc/15/64/32/600156432.db2.gz VIMYRQQUKJNJTG-QEEYODRMSA-N -1 1 377.485 2.472 20 0 GEADMM CC1CCC(N2CCN(S(=O)(=O)Cc3cccc(C(=O)[O-])c3)CC2)CC1 ZINC000736768928 600234986 /nfs/dbraw/zinc/23/49/86/600234986.db2.gz OSRQOQPSNYRPCO-UHFFFAOYSA-N -1 1 380.510 2.411 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1C(=O)CCC1=O ZINC000517688939 600236905 /nfs/dbraw/zinc/23/69/05/600236905.db2.gz MMHAEWWYFDREGH-UHFFFAOYSA-N -1 1 388.401 2.147 20 0 GEADMM C[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736716350 600275021 /nfs/dbraw/zinc/27/50/21/600275021.db2.gz KXDKGVRJNVLRCE-NSHDSACASA-N -1 1 383.433 2.362 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2[nH]c1=S ZINC000739015190 600307707 /nfs/dbraw/zinc/30/77/07/600307707.db2.gz WTGQOIJUGOBTKE-UHFFFAOYSA-N -1 1 384.417 2.242 20 0 GEADMM O=C([O-])c1cc(NC(=O)C(=O)N2CCN(CC3CCCCC3)CC2)ccc1F ZINC000739470298 600316077 /nfs/dbraw/zinc/31/60/77/600316077.db2.gz CPPKCPYWAGQLDC-UHFFFAOYSA-N -1 1 391.443 2.187 20 0 GEADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737106559 600320521 /nfs/dbraw/zinc/32/05/21/600320521.db2.gz RQDFNHGWAFIKOA-UHFFFAOYSA-N -1 1 378.469 2.429 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3C[C@H]4CCCCN4C[C@@H]3C)nc(=O)c12 ZINC000738293155 600321730 /nfs/dbraw/zinc/32/17/30/600321730.db2.gz YCLFILITEKPBRD-CMPLNLGQSA-N -1 1 376.482 2.050 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736652186 600331047 /nfs/dbraw/zinc/33/10/47/600331047.db2.gz AQINENPLMJEVBN-LLVKDONJSA-N -1 1 381.392 2.088 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(CN2CCc3ccccc32)CC1)C(=O)[O-] ZINC000736878929 600336991 /nfs/dbraw/zinc/33/69/91/600336991.db2.gz OBLPSQFQWIVVMR-IERDGZPVSA-N -1 1 387.524 2.377 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)N(C)C)c1 ZINC000738093001 600341457 /nfs/dbraw/zinc/34/14/57/600341457.db2.gz UGIYREMRNFGCEK-IAGOWNOFSA-N -1 1 375.469 2.194 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737478187 600359522 /nfs/dbraw/zinc/35/95/22/600359522.db2.gz MQRKQZXXNFXYKJ-GOSISDBHSA-N -1 1 398.463 2.154 20 0 GEADMM Cc1cc(I)ccc1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000042707387 600366604 /nfs/dbraw/zinc/36/66/04/600366604.db2.gz DJPSYDWUEKHIAS-SNVBAGLBSA-N -1 1 390.221 2.191 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2)CC1 ZINC000737529178 600365661 /nfs/dbraw/zinc/36/56/61/600365661.db2.gz SWOBPNZSYVYOGO-IBGZPJMESA-N -1 1 379.460 2.263 20 0 GEADMM C[C@H](CN(C)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)C(=O)[O-] ZINC000263156033 600365974 /nfs/dbraw/zinc/36/59/74/600365974.db2.gz FTSAXZWMMGLXLK-AUUYWEPGSA-N -1 1 384.432 2.425 20 0 GEADMM CCCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000737029460 600391709 /nfs/dbraw/zinc/39/17/09/600391709.db2.gz ICANZFWLMMPGSO-UHFFFAOYSA-N -1 1 379.390 2.458 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736652863 600455420 /nfs/dbraw/zinc/45/54/20/600455420.db2.gz NUYPQIPOFPEPBC-QLJPJBMISA-N -1 1 385.351 2.189 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000737362675 600466728 /nfs/dbraw/zinc/46/67/28/600466728.db2.gz YGCFVRUIIWYYFB-INIZCTEOSA-N -1 1 391.374 2.021 20 0 GEADMM O=C([O-])c1ccc(NS(=O)(=O)C[C@H]2CCCO2)c(OCC(F)(F)F)c1 ZINC000740154444 600482562 /nfs/dbraw/zinc/48/25/62/600482562.db2.gz BDNDWHWDQYPVFG-SNVBAGLBSA-N -1 1 383.344 2.247 20 0 GEADMM Cc1ccc(NC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)c(C(=O)[O-])c1 ZINC000738626161 600493561 /nfs/dbraw/zinc/49/35/61/600493561.db2.gz PWCJOMJZBUJXCT-UHFFFAOYSA-N -1 1 379.376 2.135 20 0 GEADMM CCOCCN1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@@H]1CC ZINC000737175815 600499308 /nfs/dbraw/zinc/49/93/08/600499308.db2.gz FPJLPVASJXGULB-SFHVURJKSA-N -1 1 392.500 2.461 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCC[C@@H](C(=O)N(C)C)C3)c12 ZINC000738363835 600505284 /nfs/dbraw/zinc/50/52/84/600505284.db2.gz NXLIEFQYUWBIOB-VXGBXAGGSA-N -1 1 376.482 2.487 20 0 GEADMM O=C([O-])CCCOc1ccc(CNC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000739686260 600547227 /nfs/dbraw/zinc/54/72/27/600547227.db2.gz MSQAGLZJAJCERP-UHFFFAOYSA-N -1 1 375.469 2.167 20 0 GEADMM CC(=O)NCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000733123181 600564589 /nfs/dbraw/zinc/56/45/89/600564589.db2.gz WNHXYKUSPUUWCP-UHFFFAOYSA-N -1 1 382.825 2.475 20 0 GEADMM CN(C)[C@H](CNC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccsc1 ZINC000737359102 600628938 /nfs/dbraw/zinc/62/89/38/600628938.db2.gz SHVUOHFGGRZCSD-LLVKDONJSA-N -1 1 383.499 2.431 20 0 GEADMM O=C([O-])CCCc1nnc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)s1 ZINC000739708575 600630776 /nfs/dbraw/zinc/63/07/76/600630776.db2.gz UGMRVAVBBJEZRO-LBPRGKRZSA-N -1 1 393.469 2.497 20 0 GEADMM CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737369907 600648744 /nfs/dbraw/zinc/64/87/44/600648744.db2.gz MHWMKDPADYCADJ-UHFFFAOYSA-N -1 1 394.468 2.205 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000736724083 600649144 /nfs/dbraw/zinc/64/91/44/600649144.db2.gz KOMGXTYSTPBTJZ-MAUKXSAKSA-N -1 1 388.489 2.428 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)cs1 ZINC000833305866 600675111 /nfs/dbraw/zinc/67/51/11/600675111.db2.gz KXUQGZDKKNXFLA-UHFFFAOYSA-N -1 1 394.430 2.291 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c[nH]1 ZINC000299548020 600677519 /nfs/dbraw/zinc/67/75/19/600677519.db2.gz CKZPRPVQKVEMPP-AWEZNQCLSA-N -1 1 376.394 2.242 20 0 GEADMM CC(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000825898223 600677861 /nfs/dbraw/zinc/67/78/61/600677861.db2.gz IEEBTENPGFXXMO-UHFFFAOYSA-N -1 1 391.327 2.491 20 0 GEADMM Cc1cc(S(=O)(=O)N(CCc2ccccc2)CCN(C)C)ccc1C(=O)[O-] ZINC000832901468 600711380 /nfs/dbraw/zinc/71/13/80/600711380.db2.gz YZJRGJBLGKLFOS-UHFFFAOYSA-N -1 1 390.505 2.488 20 0 GEADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1cc(F)ccc1F ZINC000831079367 600736144 /nfs/dbraw/zinc/73/61/44/600736144.db2.gz UZIFIIJUEYAWMW-HNNXBMFYSA-N -1 1 399.371 2.164 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000827687954 600763824 /nfs/dbraw/zinc/76/38/24/600763824.db2.gz PJZZSSRRNFAEST-OLZOCXBDSA-N -1 1 392.415 2.286 20 0 GEADMM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000832961552 600764548 /nfs/dbraw/zinc/76/45/48/600764548.db2.gz FIPXGYIZGGJCNH-NVXWUHKLSA-N -1 1 389.477 2.028 20 0 GEADMM Cc1ccc([C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)N2CCCC2)cc1 ZINC000832923090 600776607 /nfs/dbraw/zinc/77/66/07/600776607.db2.gz IOSUCQODURWLSO-GOSISDBHSA-N -1 1 391.493 2.147 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC000502012048 600810793 /nfs/dbraw/zinc/81/07/93/600810793.db2.gz CNMJOEFYGBFQDG-UHFFFAOYSA-N -1 1 387.421 2.187 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)cc1C(=O)[O-] ZINC000515633564 600811349 /nfs/dbraw/zinc/81/13/49/600811349.db2.gz MRANMCWMIIJZRC-UHFFFAOYSA-N -1 1 387.417 2.498 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1C(=O)[O-] ZINC000522882320 600811436 /nfs/dbraw/zinc/81/14/36/600811436.db2.gz VGGRUGXBBCEBCT-UHFFFAOYSA-N -1 1 397.416 2.234 20 0 GEADMM C[C@H](O)CN1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1C ZINC000827803535 600826141 /nfs/dbraw/zinc/82/61/41/600826141.db2.gz NJSABMPLQQDRCB-KBPBESRZSA-N -1 1 375.494 2.395 20 0 GEADMM C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C[C@H](C)O1 ZINC000828500711 600829040 /nfs/dbraw/zinc/82/90/40/600829040.db2.gz WWNGMTLTEQWBLV-BETUJISGSA-N -1 1 393.465 2.138 20 0 GEADMM CCN1CCC[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C1 ZINC000737852272 600851082 /nfs/dbraw/zinc/85/10/82/600851082.db2.gz BBKJLPYOITWLRE-LLVKDONJSA-N -1 1 381.498 2.283 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])c2)CC1 ZINC000248569655 600896159 /nfs/dbraw/zinc/89/61/59/600896159.db2.gz RGYIPPSLDZSGQE-RLLQIKCJSA-N -1 1 385.508 2.292 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000825928924 600904383 /nfs/dbraw/zinc/90/43/83/600904383.db2.gz KODOTTAJXZFPOP-KRWDZBQOSA-N -1 1 397.475 2.499 20 0 GEADMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1ccccn1 ZINC000833125646 600910649 /nfs/dbraw/zinc/91/06/49/600910649.db2.gz FWKJNRYHLDYCCE-CYBMUJFWSA-N -1 1 375.182 2.276 20 0 GEADMM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000565363499 600934607 /nfs/dbraw/zinc/93/46/07/600934607.db2.gz HSBJXFGKYFAULJ-INIZCTEOSA-N -1 1 395.459 2.446 20 0 GEADMM O=C([O-])CC[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000833222624 600936677 /nfs/dbraw/zinc/93/66/77/600936677.db2.gz VPOIXIZNYPGFQS-LJQANCHMSA-N -1 1 396.491 2.316 20 0 GEADMM CCc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)[O-])c1 ZINC000830253805 600984368 /nfs/dbraw/zinc/98/43/68/600984368.db2.gz 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Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630226423 601096063 /nfs/dbraw/zinc/09/60/63/601096063.db2.gz XUSCMQOITHKJMB-ZDUSSCGKSA-N -1 1 388.443 2.249 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000630221273 601102931 /nfs/dbraw/zinc/10/29/31/601102931.db2.gz WUMWDVUONNWJJJ-INIZCTEOSA-N -1 1 383.448 2.282 20 0 GEADMM COC(=O)c1cc(NC(=O)NCCN2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000831300800 601103039 /nfs/dbraw/zinc/10/30/39/601103039.db2.gz DYSXONOIGNQTEG-UHFFFAOYSA-N -1 1 397.431 2.351 20 0 GEADMM COC(=O)c1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000831423085 601103731 /nfs/dbraw/zinc/10/37/31/601103731.db2.gz BJHMCMJZOOJRGC-UHFFFAOYSA-N -1 1 397.431 2.351 20 0 GEADMM NC(=O)c1cc([C@H]2CCCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)n[nH]1 ZINC000739177582 601119196 /nfs/dbraw/zinc/11/91/96/601119196.db2.gz OREJWJVCNGBODT-LBPRGKRZSA-N -1 1 392.843 2.119 20 0 GEADMM O=C([O-])C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c2ccccc21 ZINC000833216469 601122402 /nfs/dbraw/zinc/12/24/02/601122402.db2.gz GNOMBSHKXDVLFP-GFCCVEGCSA-N -1 1 395.440 2.290 20 0 GEADMM CCOc1ccc(OCC)c(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000830088646 601126698 /nfs/dbraw/zinc/12/66/98/601126698.db2.gz FQDIWDUAWOHXRT-CQSZACIVSA-N -1 1 379.457 2.497 20 0 GEADMM CC(C)CNC(=O)c1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000826891799 601129048 /nfs/dbraw/zinc/12/90/48/601129048.db2.gz YXBQNQULAZXHRN-OAHLLOKOSA-N -1 1 390.484 2.085 20 0 GEADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000826118700 601132153 /nfs/dbraw/zinc/13/21/53/601132153.db2.gz SGYREFUMTSQZSK-OAHLLOKOSA-N -1 1 375.469 2.235 20 0 GEADMM Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C(=O)[O-] ZINC000832941722 601157915 /nfs/dbraw/zinc/15/79/15/601157915.db2.gz XLJNTEKBJIVYII-KRWDZBQOSA-N -1 1 387.411 2.190 20 0 GEADMM C[C@@](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)(C(=O)[O-])C1CC1 ZINC000827726717 601173017 /nfs/dbraw/zinc/17/30/17/601173017.db2.gz CJBWVXCDDQTLIT-KKSFZXQISA-N -1 1 388.464 2.354 20 0 GEADMM Cc1nc([C@@H]2CN(C(=O)Nc3cccc(CSCC(=O)[O-])c3)CCO2)n[nH]1 ZINC000832991070 601198270 /nfs/dbraw/zinc/19/82/70/601198270.db2.gz JWPHWCXYCNNNAJ-AWEZNQCLSA-N -1 1 391.453 2.036 20 0 GEADMM COCCCOc1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000831700572 601198870 /nfs/dbraw/zinc/19/88/70/601198870.db2.gz HJOQKGOBPLVBAX-OAHLLOKOSA-N -1 1 379.457 2.115 20 0 GEADMM Cc1ccc(NC(=O)C(=O)NCCN(C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000832939629 601199691 /nfs/dbraw/zinc/19/96/91/601199691.db2.gz XFWVDCLTSBBZID-UHFFFAOYSA-N -1 1 387.411 2.019 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CCN1Cc1ccccc1 ZINC000379635673 601227544 /nfs/dbraw/zinc/22/75/44/601227544.db2.gz QXIXYAHKGKVRDP-GOEBONIOSA-N -1 1 391.493 2.055 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000379619555 601227608 /nfs/dbraw/zinc/22/76/08/601227608.db2.gz QMOPIBFHQCTPCC-ZFWWWQNUSA-N -1 1 377.466 2.044 20 0 GEADMM COCc1nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3OC)ccc2o1 ZINC000831831022 601229965 /nfs/dbraw/zinc/22/99/65/601229965.db2.gz DKLBZYSUBNYGQZ-UHFFFAOYSA-N -1 1 392.389 2.482 20 0 GEADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830855690 601254750 /nfs/dbraw/zinc/25/47/50/601254750.db2.gz DZZZJEDEAOLNJZ-HNNXBMFYSA-N -1 1 392.452 2.419 20 0 GEADMM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000829160269 601270675 /nfs/dbraw/zinc/27/06/75/601270675.db2.gz GNKKHFLKTILYKT-CABCVRRESA-N -1 1 375.469 2.242 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000830620654 601314778 /nfs/dbraw/zinc/31/47/78/601314778.db2.gz ZTZCZOCBQXOZTM-UHFFFAOYSA-N -1 1 382.420 2.093 20 0 GEADMM CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000515631065 601324539 /nfs/dbraw/zinc/32/45/39/601324539.db2.gz STRPFGLYXYLPSB-UHFFFAOYSA-N -1 1 392.433 2.171 20 0 GEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000055677366 601325508 /nfs/dbraw/zinc/32/55/08/601325508.db2.gz HMIOKHQPHHCKFL-UHFFFAOYSA-N -1 1 398.824 2.207 20 0 GEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000826005462 601326938 /nfs/dbraw/zinc/32/69/38/601326938.db2.gz XKWBCOMMDASJDR-DNVCBOLYSA-N -1 1 390.480 2.050 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000591683882 601330006 /nfs/dbraw/zinc/33/00/06/601330006.db2.gz QWKDKIFTVKITTK-UHFFFAOYSA-N -1 1 390.417 2.103 20 0 GEADMM COC(=O)c1cccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1O ZINC000831453510 601331985 /nfs/dbraw/zinc/33/19/85/601331985.db2.gz RRABTGKRLKNJFM-YFHOEESVSA-N -1 1 377.374 2.077 20 0 GEADMM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000829160409 601337766 /nfs/dbraw/zinc/33/77/66/601337766.db2.gz IJGCJBOIANILJH-QWHCGFSZSA-N -1 1 381.502 2.426 20 0 GEADMM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000829160405 601337841 /nfs/dbraw/zinc/33/78/41/601337841.db2.gz IJGCJBOIANILJH-CHWSQXEVSA-N -1 1 381.502 2.426 20 0 GEADMM CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000426013895 601387117 /nfs/dbraw/zinc/38/71/17/601387117.db2.gz PNZMDFPXOBSTTB-UHFFFAOYSA-N -1 1 392.433 2.286 20 0 GEADMM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1(N2CCOCC2)CCCC1 ZINC000827635823 601439628 /nfs/dbraw/zinc/43/96/28/601439628.db2.gz HJHCWFMJYVRWCK-MRXNPFEDSA-N -1 1 399.491 2.489 20 0 GEADMM C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832729113 601484390 /nfs/dbraw/zinc/48/43/90/601484390.db2.gz AHFLLZMBMBAWSI-HSZRJFAPSA-N -1 1 388.854 2.113 20 0 GEADMM COC[C@](C)(CC(=O)[O-])NCc1cc(OC)c(OC)cc1Br ZINC000831579091 601486953 /nfs/dbraw/zinc/48/69/53/601486953.db2.gz VAFSKTLNPBWRAE-HNNXBMFYSA-N -1 1 376.247 2.436 20 0 GEADMM Cc1cc(C(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1NC(=O)c1ccccc1 ZINC000832860202 601508567 /nfs/dbraw/zinc/50/85/67/601508567.db2.gz ZZDDLRPBYJYGGZ-UGSOOPFHSA-N -1 1 383.448 2.324 20 0 GEADMM Cc1ccc([C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)N2CCCC2)cc1 ZINC000832924421 601511754 /nfs/dbraw/zinc/51/17/54/601511754.db2.gz VTWJMZHWMKFDDJ-KRWDZBQOSA-N -1 1 380.510 2.306 20 0 GEADMM C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000828465466 601517333 /nfs/dbraw/zinc/51/73/33/601517333.db2.gz XYNYOHCZXPPRGH-INIZCTEOSA-N -1 1 380.510 2.168 20 0 GEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000830609215 601524784 /nfs/dbraw/zinc/52/47/84/601524784.db2.gz YLMHJYAZUBPSOT-UHFFFAOYSA-N -1 1 382.507 2.340 20 0 GEADMM C[C@@H]1CN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C[C@H]1C(=O)[O-] ZINC000263364823 601539353 /nfs/dbraw/zinc/53/93/53/601539353.db2.gz SWMJYOSMJLAXCM-TZMCWYRMSA-N -1 1 376.844 2.176 20 0 GEADMM COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000563725633 601546905 /nfs/dbraw/zinc/54/69/05/601546905.db2.gz XRRZWWCKDJDIRI-LAUBAEHRSA-N -1 1 399.443 2.322 20 0 GEADMM CN(C)Cc1ccsc1C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830624029 601559589 /nfs/dbraw/zinc/55/95/89/601559589.db2.gz OUWQZHJSGSYERI-LBPRGKRZSA-N -1 1 393.490 2.105 20 0 GEADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000831242400 601576395 /nfs/dbraw/zinc/57/63/95/601576395.db2.gz BJYSMJUFNAGPBL-UHFFFAOYSA-N -1 1 384.797 2.329 20 0 GEADMM CC(C)N(Cc1ccnc(-c2nn[n-]n2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000824297569 607516392 /nfs/dbraw/zinc/51/63/92/607516392.db2.gz WZPGCERYHXUMOW-UHFFFAOYSA-N -1 1 376.424 2.321 20 0 GEADMM Cc1cc(CC(=O)OCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)n[nH]1 ZINC000832883520 601610207 /nfs/dbraw/zinc/61/02/07/601610207.db2.gz NYNZDMDNSDVZSG-UHFFFAOYSA-N -1 1 377.422 2.081 20 0 GEADMM CCC(CC)(CC(=O)OC)NCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000828810016 601634844 /nfs/dbraw/zinc/63/48/44/601634844.db2.gz FBNILJKNIXRPHP-UHFFFAOYSA-N -1 1 381.454 2.203 20 0 GEADMM O=C([O-])[C@]1(F)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000262882593 601658021 /nfs/dbraw/zinc/65/80/21/601658021.db2.gz ZCPNPEXBMACUHL-HNNXBMFYSA-N -1 1 382.189 2.478 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000827375565 601687833 /nfs/dbraw/zinc/68/78/33/601687833.db2.gz ZTJSWVROKIZIGG-GFCCVEGCSA-N -1 1 376.844 2.351 20 0 GEADMM CC[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)[O-] ZINC000818314231 601749724 /nfs/dbraw/zinc/74/97/24/601749724.db2.gz BPMICQCAWDQWKI-GFCCVEGCSA-N -1 1 382.463 2.450 20 0 GEADMM O=C([O-])C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000833216278 601763213 /nfs/dbraw/zinc/76/32/13/601763213.db2.gz DPNFNEXNQWXWCM-YOEHRIQHSA-N -1 1 395.887 2.362 20 0 GEADMM CCCN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000829464605 601785515 /nfs/dbraw/zinc/78/55/15/601785515.db2.gz IZOKXSIZVJIRDX-SJLPKXTDSA-N -1 1 382.526 2.414 20 0 GEADMM O=C([O-])[C@@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CCCCC1 ZINC000833103731 601789325 /nfs/dbraw/zinc/78/93/25/601789325.db2.gz CWSRNZGEVRWSPX-INIZCTEOSA-N -1 1 389.477 2.225 20 0 GEADMM CCCc1nc([C@H]2CN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000829571744 601792658 /nfs/dbraw/zinc/79/26/58/601792658.db2.gz VFOACDGJMRENMI-OAHLLOKOSA-N -1 1 387.440 2.380 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CCO2)n1 ZINC000829571744 601792660 /nfs/dbraw/zinc/79/26/60/601792660.db2.gz VFOACDGJMRENMI-OAHLLOKOSA-N -1 1 387.440 2.380 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828450443 601812717 /nfs/dbraw/zinc/81/27/17/601812717.db2.gz PTCYIHVHHGHNDZ-JUKMUDQWSA-N -1 1 399.369 2.082 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)cc(F)c1F ZINC000751144442 601839612 /nfs/dbraw/zinc/83/96/12/601839612.db2.gz BPJJTUICIXYHNC-UHFFFAOYSA-N -1 1 398.343 2.420 20 0 GEADMM COC(=O)CCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000831160356 601841215 /nfs/dbraw/zinc/84/12/15/601841215.db2.gz TVXWYFJOTGIWFL-UHFFFAOYSA-N -1 1 398.824 2.340 20 0 GEADMM COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000832000620 601850135 /nfs/dbraw/zinc/85/01/35/601850135.db2.gz WWKFECKXMMOYPK-FZKQIMNGSA-N -1 1 380.828 2.086 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000831374240 601856300 /nfs/dbraw/zinc/85/63/00/601856300.db2.gz PYECAAFIHIQJPZ-UHFFFAOYSA-N -1 1 397.380 2.321 20 0 GEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1Cl ZINC000831015738 601859823 /nfs/dbraw/zinc/85/98/23/601859823.db2.gz DXQMVAJZWSOZSW-UHFFFAOYSA-N -1 1 386.788 2.338 20 0 GEADMM COC1CCC(N(C)CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000831532386 601878275 /nfs/dbraw/zinc/87/82/75/601878275.db2.gz ONFMPGQHBJXGCC-UHFFFAOYSA-N -1 1 375.425 2.000 20 0 GEADMM CN(CCN1C(=O)NC2(CCCC2)C1=O)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830781209 601906243 /nfs/dbraw/zinc/90/62/43/601906243.db2.gz PJUSPUQUIFPTHD-AWEZNQCLSA-N -1 1 399.369 2.026 20 0 GEADMM C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826004808 601919960 /nfs/dbraw/zinc/91/99/60/601919960.db2.gz KCZURMAFXSUEKW-ZFWWWQNUSA-N -1 1 375.494 2.107 20 0 GEADMM COCc1ccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000739842655 601927286 /nfs/dbraw/zinc/92/72/86/601927286.db2.gz GQIZTJUGJCZGIO-RTBURBONSA-N -1 1 389.496 2.446 20 0 GEADMM COc1ccccc1CNC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739976486 601928812 /nfs/dbraw/zinc/92/88/12/601928812.db2.gz VJRVFAYNFWRENY-DLBZAZTESA-N -1 1 375.469 2.308 20 0 GEADMM COc1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1OC ZINC000739920227 601934189 /nfs/dbraw/zinc/93/41/89/601934189.db2.gz MILOQDKNOJXXNC-UHFFFAOYSA-N -1 1 377.441 2.249 20 0 GEADMM Cc1oc(-c2ccccc2)nc1CS(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826340311 607536258 /nfs/dbraw/zinc/53/62/58/607536258.db2.gz RSHIGNVHXQEBQQ-UHFFFAOYSA-N -1 1 396.432 2.340 20 0 GEADMM Cc1oc(-c2ccccc2)nc1CS(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826340311 607536260 /nfs/dbraw/zinc/53/62/60/607536260.db2.gz RSHIGNVHXQEBQQ-UHFFFAOYSA-N -1 1 396.432 2.340 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167540 601969273 /nfs/dbraw/zinc/96/92/73/601969273.db2.gz HWRKINGLUWVHSJ-XJKSGUPXSA-N -1 1 399.422 2.242 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000828167537 601969384 /nfs/dbraw/zinc/96/93/84/601969384.db2.gz HWRKINGLUWVHSJ-BBRMVZONSA-N -1 1 399.422 2.242 20 0 GEADMM O=S(=O)(Cc1csc(C2CCCC2)n1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486988 607537038 /nfs/dbraw/zinc/53/70/38/607537038.db2.gz YXYJPPFJFOYWFO-UHFFFAOYSA-N -1 1 390.494 2.491 20 0 GEADMM O=S(=O)(Cc1csc(C2CCCC2)n1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486988 607537040 /nfs/dbraw/zinc/53/70/40/607537040.db2.gz YXYJPPFJFOYWFO-UHFFFAOYSA-N -1 1 390.494 2.491 20 0 GEADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827460928 602004291 /nfs/dbraw/zinc/00/42/91/602004291.db2.gz HANANKMUWZYLIY-NSHDSACASA-N -1 1 388.390 2.161 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000827368913 602025014 /nfs/dbraw/zinc/02/50/14/602025014.db2.gz KLFRUMURYBUURS-JTQLQIEISA-N -1 1 375.347 2.440 20 0 GEADMM O=C([O-])NC1(CNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CCCCC1 ZINC000740548935 602032462 /nfs/dbraw/zinc/03/24/62/602032462.db2.gz YWFYTLKNECUQBC-UHFFFAOYSA-N -1 1 376.438 2.324 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])cc2[nH]c1=S ZINC000833039782 602055176 /nfs/dbraw/zinc/05/51/76/602055176.db2.gz QTMJQHLKFWUYEQ-KBPBESRZSA-N -1 1 389.477 2.376 20 0 GEADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3cc(F)cc4[nH]cnc43)nc2)CC1 ZINC000740463206 602120380 /nfs/dbraw/zinc/12/03/80/602120380.db2.gz LOAQZKKSWKZVLF-UHFFFAOYSA-N -1 1 384.371 2.149 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737720085 602122562 /nfs/dbraw/zinc/12/25/62/602122562.db2.gz DOSRCNIAHPXOBK-HNAYVOBHSA-N -1 1 395.459 2.204 20 0 GEADMM Ic1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826379514 607548098 /nfs/dbraw/zinc/54/80/98/607548098.db2.gz UIEGQDHWRWIVSW-UHFFFAOYSA-N -1 1 378.177 2.478 20 0 GEADMM Ic1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826379514 607548099 /nfs/dbraw/zinc/54/80/99/607548099.db2.gz UIEGQDHWRWIVSW-UHFFFAOYSA-N -1 1 378.177 2.478 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc2)C[C@H](C)O1 ZINC000824977952 607548542 /nfs/dbraw/zinc/54/85/42/607548542.db2.gz TWZAXNMXVFJIEK-KBPBESRZSA-N -1 1 393.451 2.123 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc2)C[C@H](C)O1 ZINC000824977952 607548543 /nfs/dbraw/zinc/54/85/43/607548543.db2.gz TWZAXNMXVFJIEK-KBPBESRZSA-N -1 1 393.451 2.123 20 0 GEADMM COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000832272347 602227224 /nfs/dbraw/zinc/22/72/24/602227224.db2.gz DUBHMLDUGYUVHH-KBXCAEBGSA-N -1 1 378.469 2.456 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)[O-])c1 ZINC000818635771 602241785 /nfs/dbraw/zinc/24/17/85/602241785.db2.gz JIVNGBQHDXNXFS-UHFFFAOYSA-N -1 1 379.390 2.046 20 0 GEADMM O=C([O-])NCCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000738656819 602243622 /nfs/dbraw/zinc/24/36/22/602243622.db2.gz VTSOMJYGDBPXAF-UHFFFAOYSA-N -1 1 397.479 2.043 20 0 GEADMM C[C@H](NC(=O)[O-])C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000738996771 602255661 /nfs/dbraw/zinc/25/56/61/602255661.db2.gz ZNNXPXOTQZBDQO-INIZCTEOSA-N -1 1 397.479 2.041 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c1OC ZINC000739943712 602266156 /nfs/dbraw/zinc/26/61/56/602266156.db2.gz ALKAMRUVDFUSAE-GDBMZVCRSA-N -1 1 393.484 2.173 20 0 GEADMM COc1cc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)ccc1NC(=O)[O-] ZINC000739866740 602270532 /nfs/dbraw/zinc/27/05/32/602270532.db2.gz RZOHIOQNEOYGAE-SNVBAGLBSA-N -1 1 397.391 2.418 20 0 GEADMM COc1cc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)ccc1NC(=O)[O-] ZINC000739866738 602270554 /nfs/dbraw/zinc/27/05/54/602270554.db2.gz RZOHIOQNEOYGAE-JTQLQIEISA-N -1 1 397.391 2.418 20 0 GEADMM COc1ccc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)cc1NC(=O)[O-] ZINC000739915189 602270583 /nfs/dbraw/zinc/27/05/83/602270583.db2.gz GOGJDXOBTXFAGZ-JTQLQIEISA-N -1 1 397.391 2.418 20 0 GEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000833195150 602284675 /nfs/dbraw/zinc/28/46/75/602284675.db2.gz VNWLYGGVIBPBCN-GBESFXJTSA-N -1 1 398.459 2.206 20 0 GEADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739606951 602285590 /nfs/dbraw/zinc/28/55/90/602285590.db2.gz KPQITFXHKYCTEG-QGZVFWFLSA-N -1 1 396.447 2.085 20 0 GEADMM COc1cc(NS(=O)(=O)c2cnc3onc(C)c3c2)ccc1NC(=O)[O-] ZINC000739870687 602289835 /nfs/dbraw/zinc/28/98/35/602289835.db2.gz VZJXUNAHSFELDV-UHFFFAOYSA-N -1 1 378.366 2.431 20 0 GEADMM CN(C(=O)Nc1ccccc1N1CCN(C)CC1)C1CCN(C(=O)[O-])CC1 ZINC000739737529 602305250 /nfs/dbraw/zinc/30/52/50/602305250.db2.gz YMHRIJSDTPAJKY-UHFFFAOYSA-N -1 1 375.473 2.045 20 0 GEADMM CCOc1ccc(CN(C)C(=O)CN2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739501731 602386272 /nfs/dbraw/zinc/38/62/72/602386272.db2.gz KUGGWLANAAGTPA-UHFFFAOYSA-N -1 1 377.485 2.366 20 0 GEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000738951060 602449324 /nfs/dbraw/zinc/44/93/24/602449324.db2.gz NYVPTGOOFBHRNG-CHWSQXEVSA-N -1 1 383.439 2.380 20 0 GEADMM COc1ccc(CN(C(=O)CN2CCC(N(C)C(=O)[O-])CC2)C2CC2)cc1 ZINC000738090181 602537568 /nfs/dbraw/zinc/53/75/68/602537568.db2.gz BUBRVSZCMDNQHQ-UHFFFAOYSA-N -1 1 375.469 2.260 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)CC1 ZINC000739456740 602552946 /nfs/dbraw/zinc/55/29/46/602552946.db2.gz OUVBOMKJWMCIEV-MRXNPFEDSA-N -1 1 389.500 2.292 20 0 GEADMM CN(C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1)C(=O)[O-] ZINC000739652139 602610215 /nfs/dbraw/zinc/61/02/15/602610215.db2.gz SQZPHFBRFIPMHE-JKSUJKDBSA-N -1 1 378.473 2.448 20 0 GEADMM CCCN(C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739355022 602611133 /nfs/dbraw/zinc/61/11/33/602611133.db2.gz ZSLGPQOMXJGBOW-SJLPKXTDSA-N -1 1 392.500 2.472 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)C[C@@H](C)O1 ZINC000739182526 602614382 /nfs/dbraw/zinc/61/43/82/602614382.db2.gz OREZYXJUUGNXML-INMHGKMJSA-N -1 1 384.521 2.001 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000824641411 607576995 /nfs/dbraw/zinc/57/69/95/607576995.db2.gz VXGKNJIBSZORLX-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000824641411 607576996 /nfs/dbraw/zinc/57/69/96/607576996.db2.gz VXGKNJIBSZORLX-QMMMGPOBSA-N -1 1 383.355 2.324 20 0 GEADMM Cc1ccccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826307125 607578958 /nfs/dbraw/zinc/57/89/58/607578958.db2.gz XCAZXIYVPQQZST-UHFFFAOYSA-N -1 1 377.857 2.350 20 0 GEADMM Cc1ccccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826307125 607578960 /nfs/dbraw/zinc/57/89/60/607578960.db2.gz XCAZXIYVPQQZST-UHFFFAOYSA-N -1 1 377.857 2.350 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117496 602712534 /nfs/dbraw/zinc/71/25/34/602712534.db2.gz KBVIHNAZKQLQFZ-HZPDHXFCSA-N -1 1 378.473 2.414 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)N2CCCC2)cc1 ZINC000739891664 602753368 /nfs/dbraw/zinc/75/33/68/602753368.db2.gz DHQLHKOOFJIKAZ-YJBOKZPZSA-N -1 1 390.484 2.226 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCN(C(=O)[O-])C[C@H]1C)N1CCCC1 ZINC000739964129 602754362 /nfs/dbraw/zinc/75/43/62/602754362.db2.gz POXAXFSFZPRVFM-WBVHZDCISA-N -1 1 390.484 2.226 20 0 GEADMM O=S(=O)(N[C@@H]1CCCc2occc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488622 607584131 /nfs/dbraw/zinc/58/41/31/607584131.db2.gz UXWDIDAXZNCZJH-LLVKDONJSA-N -1 1 379.829 2.469 20 0 GEADMM O=S(=O)(N[C@@H]1CCCc2occc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488622 607584132 /nfs/dbraw/zinc/58/41/32/607584132.db2.gz UXWDIDAXZNCZJH-LLVKDONJSA-N -1 1 379.829 2.469 20 0 GEADMM COCCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826157763 607585376 /nfs/dbraw/zinc/58/53/76/607585376.db2.gz KXFUOEYUFAEMGT-UHFFFAOYSA-N -1 1 385.877 2.100 20 0 GEADMM CC(C)Oc1ccc(CCNC(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738867888 602785536 /nfs/dbraw/zinc/78/55/36/602785536.db2.gz XSGLGFSZELUMTL-CRAIPNDOSA-N -1 1 377.485 2.111 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000824641751 607586534 /nfs/dbraw/zinc/58/65/34/607586534.db2.gz YLKWNXBMWSIAHU-MRVPVSSYSA-N -1 1 383.355 2.324 20 0 GEADMM CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825307733 607587033 /nfs/dbraw/zinc/58/70/33/607587033.db2.gz ODUMIMIPMMNKGD-UHFFFAOYSA-N -1 1 383.783 2.483 20 0 GEADMM C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824937914 607588267 /nfs/dbraw/zinc/58/82/67/607588267.db2.gz RVSDEFGYNZPDHO-WCQYABFASA-N -1 1 399.904 2.394 20 0 GEADMM C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824937914 607588268 /nfs/dbraw/zinc/58/82/68/607588268.db2.gz RVSDEFGYNZPDHO-WCQYABFASA-N -1 1 399.904 2.394 20 0 GEADMM COc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826208458 607590217 /nfs/dbraw/zinc/59/02/17/607590217.db2.gz LKJDVSDLRFMAJN-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C[C@H]1CCCO1 ZINC000740365723 602855509 /nfs/dbraw/zinc/85/55/09/602855509.db2.gz PQWXNZQJILIGCZ-GOSISDBHSA-N -1 1 393.459 2.065 20 0 GEADMM CCCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825338896 607590441 /nfs/dbraw/zinc/59/04/41/607590441.db2.gz JJRZUCDMBJDWQF-UHFFFAOYSA-N -1 1 391.428 2.273 20 0 GEADMM C[C@@H]1CN(C(=O)[O-])CCN1Cn1ccc(=O)c2cccc(Br)c21 ZINC000739152887 602862690 /nfs/dbraw/zinc/86/26/90/602862690.db2.gz GWKVAAJTVSAZMR-LLVKDONJSA-N -1 1 380.242 2.406 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826304277 607591048 /nfs/dbraw/zinc/59/10/48/607591048.db2.gz FMQZVTYCHAAAAK-UHFFFAOYSA-N -1 1 399.432 2.291 20 0 GEADMM C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000824899343 607591390 /nfs/dbraw/zinc/59/13/90/607591390.db2.gz JHUILCKZBUJDRY-JOYOIKCWSA-N -1 1 377.401 2.201 20 0 GEADMM CC(C)[C@H](CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824110292 602923596 /nfs/dbraw/zinc/92/35/96/602923596.db2.gz HHNMCRIFUGEZBA-YTQUADARSA-N -1 1 390.528 2.020 20 0 GEADMM Cc1ccc(OC[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292268 607598592 /nfs/dbraw/zinc/59/85/92/607598592.db2.gz NVLMVFDVNFTSLS-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1ccc(OC[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292268 607598594 /nfs/dbraw/zinc/59/85/94/607598594.db2.gz NVLMVFDVNFTSLS-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)N2CCCC2)cc1 ZINC000829313111 603002377 /nfs/dbraw/zinc/00/23/77/603002377.db2.gz ZYVLMWKAXBLCHP-CRAIPNDOSA-N -1 1 390.484 2.226 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])N1CCCC1 ZINC000739957763 603012361 /nfs/dbraw/zinc/01/23/61/603012361.db2.gz JLYYITGKACBURV-PVAVHDDUSA-N -1 1 375.469 2.385 20 0 GEADMM Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826304954 607603465 /nfs/dbraw/zinc/60/34/65/607603465.db2.gz FUPAIVRZXBMJNK-CYBMUJFWSA-N -1 1 389.412 2.116 20 0 GEADMM Cc1cccc2c1OCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826304954 607603467 /nfs/dbraw/zinc/60/34/67/607603467.db2.gz FUPAIVRZXBMJNK-CYBMUJFWSA-N -1 1 389.412 2.116 20 0 GEADMM CC(C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824167741 607606035 /nfs/dbraw/zinc/60/60/35/607606035.db2.gz SXQIEUVHLTUFPF-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM CC(C)C(=O)Nc1cccc(F)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824185125 607606696 /nfs/dbraw/zinc/60/66/96/607606696.db2.gz RNYVAQKYIFFCNF-UHFFFAOYSA-N -1 1 384.371 2.352 20 0 GEADMM CC(C)C(=O)Nc1cccc(F)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824185125 607606698 /nfs/dbraw/zinc/60/66/98/607606698.db2.gz RNYVAQKYIFFCNF-UHFFFAOYSA-N -1 1 384.371 2.352 20 0 GEADMM Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826294273 607607009 /nfs/dbraw/zinc/60/70/09/607607009.db2.gz NFIRQIBXWKEDAB-CQSZACIVSA-N -1 1 389.412 2.035 20 0 GEADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N(CC(F)F)C1CC1 ZINC000826494587 607611312 /nfs/dbraw/zinc/61/13/12/607611312.db2.gz IRVQJDPBFREDMO-UHFFFAOYSA-N -1 1 397.329 2.304 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@H]2CCCCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739893771 603182933 /nfs/dbraw/zinc/18/29/33/603182933.db2.gz LWCSYSPXVAZZDH-MSOLQXFVSA-N -1 1 375.469 2.481 20 0 GEADMM O=C(Cc1cc(F)ccc1Br)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826421437 607614509 /nfs/dbraw/zinc/61/45/09/607614509.db2.gz IDCVTWGRCPYUAD-UHFFFAOYSA-N -1 1 392.188 2.449 20 0 GEADMM O=C(Cc1cc(F)ccc1Br)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826421437 607614510 /nfs/dbraw/zinc/61/45/10/607614510.db2.gz IDCVTWGRCPYUAD-UHFFFAOYSA-N -1 1 392.188 2.449 20 0 GEADMM CC(C)n1cc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000824640673 607615000 /nfs/dbraw/zinc/61/50/00/607615000.db2.gz NGFIPYHSBQUQCW-SNVBAGLBSA-N -1 1 395.876 2.337 20 0 GEADMM CC(C)n1cc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000824640673 607615002 /nfs/dbraw/zinc/61/50/02/607615002.db2.gz NGFIPYHSBQUQCW-SNVBAGLBSA-N -1 1 395.876 2.337 20 0 GEADMM O=C([O-])N1CC[C@@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C1 ZINC000740368800 603223139 /nfs/dbraw/zinc/22/31/39/603223139.db2.gz MFVJKCSVXRQHDD-OAHLLOKOSA-N -1 1 388.468 2.440 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739456150 603235051 /nfs/dbraw/zinc/23/50/51/603235051.db2.gz MTEACESNLWVPPY-GJZGRUSLSA-N -1 1 392.475 2.145 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487940 607617118 /nfs/dbraw/zinc/61/71/18/607617118.db2.gz DZCNVSAEZTZRMH-NOZJJQNGSA-N -1 1 395.366 2.118 20 0 GEADMM O=S(=O)(NC1(c2nccs2)CCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488738 607617178 /nfs/dbraw/zinc/61/71/78/607617178.db2.gz XXGBCPJBZJXUEZ-UHFFFAOYSA-N -1 1 394.457 2.210 20 0 GEADMM CN(CCCNC(=O)[O-])CC(=O)N(C)Cc1cc(Br)cs1 ZINC000739675902 603254364 /nfs/dbraw/zinc/25/43/64/603254364.db2.gz GNAGVLZOJPKWBR-UHFFFAOYSA-N -1 1 378.292 2.059 20 0 GEADMM Cc1cccc(S(=O)(=O)Oc2ccccc2NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC000826304362 607617477 /nfs/dbraw/zinc/61/74/77/607617477.db2.gz ILWXVDYRIWYIGZ-UHFFFAOYSA-N -1 1 399.432 2.291 20 0 GEADMM CCc1ccc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825712367 607618689 /nfs/dbraw/zinc/61/86/89/607618689.db2.gz PFWUCWXISJUVLP-UHFFFAOYSA-N -1 1 375.429 2.089 20 0 GEADMM CCc1ccc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825712367 607618692 /nfs/dbraw/zinc/61/86/92/607618692.db2.gz PFWUCWXISJUVLP-UHFFFAOYSA-N -1 1 375.429 2.089 20 0 GEADMM O=S(=O)(NC[C@@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490440 607619045 /nfs/dbraw/zinc/61/90/45/607619045.db2.gz VLGOFQDYPREEQK-GFCCVEGCSA-N -1 1 387.440 2.089 20 0 GEADMM O=S(=O)(NC[C@@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490440 607619047 /nfs/dbraw/zinc/61/90/47/607619047.db2.gz VLGOFQDYPREEQK-GFCCVEGCSA-N -1 1 387.440 2.089 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1)N1CCCC1 ZINC000738118477 603294632 /nfs/dbraw/zinc/29/46/32/603294632.db2.gz BVQMSGPBJGVSEW-DOTOQJQBSA-N -1 1 390.484 2.274 20 0 GEADMM CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739452422 603322140 /nfs/dbraw/zinc/32/21/40/603322140.db2.gz RNBKJJJXYFENGD-GFCCVEGCSA-N -1 1 390.440 2.174 20 0 GEADMM C[C@H](c1nc(-c2cccs2)no1)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739062457 603345242 /nfs/dbraw/zinc/34/52/42/603345242.db2.gz GCQZZABQQFKIQZ-KGLIPLIRSA-N -1 1 391.497 2.477 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000829362362 603437624 /nfs/dbraw/zinc/43/76/24/603437624.db2.gz KJLLBPYZBZYEHO-DLBZAZTESA-N -1 1 375.469 2.166 20 0 GEADMM CCc1ncc(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)cn1 ZINC000825750232 607629373 /nfs/dbraw/zinc/62/93/73/607629373.db2.gz NDGCBZCMFDQQCM-UHFFFAOYSA-N -1 1 382.453 2.466 20 0 GEADMM CCc1ncc(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)cn1 ZINC000825750232 607629375 /nfs/dbraw/zinc/62/93/75/607629375.db2.gz NDGCBZCMFDQQCM-UHFFFAOYSA-N -1 1 382.453 2.466 20 0 GEADMM CCC1(CC)CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000826649462 603492511 /nfs/dbraw/zinc/49/25/11/603492511.db2.gz HCGLPLBDUSYOBB-AUUYWEPGSA-N -1 1 380.489 2.204 20 0 GEADMM COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(NC(=O)[O-])nc3)C2=O)c1 ZINC000829217357 603560769 /nfs/dbraw/zinc/56/07/69/603560769.db2.gz OJBIXBIUGFQPRU-MRXNPFEDSA-N -1 1 386.408 2.084 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)NC1CCN(Cc2ccccn2)CC1)NC(=O)[O-] ZINC000824086936 603619762 /nfs/dbraw/zinc/61/97/62/603619762.db2.gz WGZKMMIEULZJPE-SFHVURJKSA-N -1 1 391.516 2.370 20 0 GEADMM O=S(=O)(NCCc1cc2ccccc2o1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491655 607640682 /nfs/dbraw/zinc/64/06/82/607640682.db2.gz UKVGPNIUJQBGRM-UHFFFAOYSA-N -1 1 387.396 2.273 20 0 GEADMM C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823722859 603630231 /nfs/dbraw/zinc/63/02/31/603630231.db2.gz IAQVFDLJSSSUBH-CQSZACIVSA-N -1 1 390.484 2.366 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@H](C)[C@H]2CNC(=O)[O-])cc1OC ZINC000829358191 603722332 /nfs/dbraw/zinc/72/23/32/603722332.db2.gz WNXQMRGITXTLRC-GOEBONIOSA-N -1 1 393.484 2.030 20 0 GEADMM Cc1ncc(Cl)c(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)n1 ZINC000830812822 603735308 /nfs/dbraw/zinc/73/53/08/603735308.db2.gz KKFDWOZJAOTDOO-UHFFFAOYSA-N -1 1 387.787 2.243 20 0 GEADMM Cc1ncc(Cl)c(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)n1 ZINC000830812822 603735309 /nfs/dbraw/zinc/73/53/09/603735309.db2.gz KKFDWOZJAOTDOO-UHFFFAOYSA-N -1 1 387.787 2.243 20 0 GEADMM CCOC(=O)c1ccsc1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000827348906 603784719 /nfs/dbraw/zinc/78/47/19/603784719.db2.gz CVZYHIUQZCQDSD-UHFFFAOYSA-N -1 1 383.470 2.374 20 0 GEADMM Cc1ccccc1O[C@H](C)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826307813 607651653 /nfs/dbraw/zinc/65/16/53/607651653.db2.gz XJFCFZRREAIHSF-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1ccccc1O[C@H](C)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826307813 607651654 /nfs/dbraw/zinc/65/16/54/607651654.db2.gz XJFCFZRREAIHSF-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829310386 603812327 /nfs/dbraw/zinc/81/23/27/603812327.db2.gz HUAYSMKAHOEZTN-QFBILLFUSA-N -1 1 379.432 2.040 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)N1CCCC1 ZINC000829591108 603815244 /nfs/dbraw/zinc/81/52/44/603815244.db2.gz BAZMTCKVVWWFAG-HNAYVOBHSA-N -1 1 379.432 2.040 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@]3(F)CCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826059637 603839073 /nfs/dbraw/zinc/83/90/73/603839073.db2.gz XYVCPVLMYRCQRB-MDOVXXIYSA-N -1 1 393.459 2.004 20 0 GEADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCCC2 ZINC000825583646 607656159 /nfs/dbraw/zinc/65/61/59/607656159.db2.gz VWININKGTRIAQQ-UONOGXRCSA-N -1 1 395.460 2.022 20 0 GEADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCCC2 ZINC000825583646 607656160 /nfs/dbraw/zinc/65/61/60/607656160.db2.gz VWININKGTRIAQQ-UONOGXRCSA-N -1 1 395.460 2.022 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)N2CCCC2)c1 ZINC000829543203 603890718 /nfs/dbraw/zinc/89/07/18/603890718.db2.gz GLFUDNYKXPBFKR-QAPCUYQASA-N -1 1 390.484 2.226 20 0 GEADMM C[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C1(N2CCOCC2)CCCC1 ZINC000825128286 603923259 /nfs/dbraw/zinc/92/32/59/603923259.db2.gz PUYKOCPJCTYLCL-OAHLLOKOSA-N -1 1 375.469 2.469 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825459052 603956756 /nfs/dbraw/zinc/95/67/56/603956756.db2.gz LZPCCWGVMVBBSQ-LLVKDONJSA-N -1 1 393.403 2.360 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CCN1CCOC ZINC000826683667 603976190 /nfs/dbraw/zinc/97/61/90/603976190.db2.gz XESJLJFAVTVLIN-AWEZNQCLSA-N -1 1 376.457 2.302 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cs1 ZINC000828760673 604014545 /nfs/dbraw/zinc/01/45/45/604014545.db2.gz FNUUOLPIEWXYAD-UHFFFAOYSA-N -1 1 382.419 2.376 20 0 GEADMM COc1ccc(CN(C(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])C2CC2)cc1 ZINC000829355306 604092369 /nfs/dbraw/zinc/09/23/69/604092369.db2.gz AIZLNMMRJBCQNN-KRWDZBQOSA-N -1 1 375.469 2.260 20 0 GEADMM CC[C@H](CO)N1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000826586681 604098290 /nfs/dbraw/zinc/09/82/90/604098290.db2.gz FSLXVGRQIHIENI-MRXNPFEDSA-N -1 1 376.457 2.038 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)nc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491751 607672982 /nfs/dbraw/zinc/67/29/82/607672982.db2.gz ZDNMJKGILTWMQP-UHFFFAOYSA-N -1 1 399.263 2.090 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)nc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491751 607672984 /nfs/dbraw/zinc/67/29/84/607672984.db2.gz ZDNMJKGILTWMQP-UHFFFAOYSA-N -1 1 399.263 2.090 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)C1 ZINC000825229666 604150040 /nfs/dbraw/zinc/15/00/40/604150040.db2.gz SXBDPQXYQWLLTD-ZFWWWQNUSA-N -1 1 380.464 2.465 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000825263793 604171576 /nfs/dbraw/zinc/17/15/76/604171576.db2.gz IGQHHIGYNDICIS-KBPBESRZSA-N -1 1 390.509 2.323 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000829490588 604190756 /nfs/dbraw/zinc/19/07/56/604190756.db2.gz ZSZSTPDDQPLYAD-KKUMJFAQSA-N -1 1 393.484 2.249 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1OC ZINC000829556624 604202097 /nfs/dbraw/zinc/20/20/97/604202097.db2.gz QZNOVYPKHQZCRK-GJZGRUSLSA-N -1 1 393.484 2.030 20 0 GEADMM Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1C ZINC000830517540 604218587 /nfs/dbraw/zinc/21/85/87/604218587.db2.gz ZJNWCHICRMZTOG-LSDHHAIUSA-N -1 1 376.457 2.320 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000825263788 604228512 /nfs/dbraw/zinc/22/85/12/604228512.db2.gz IEQAFUQOFVMAIK-GJZGRUSLSA-N -1 1 384.498 2.227 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCc2cccc3cccnc32)C1 ZINC000825265238 604242266 /nfs/dbraw/zinc/24/22/66/604242266.db2.gz RDPXQYMXUDLQQX-MAUKXSAKSA-N -1 1 384.480 2.262 20 0 GEADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000823772522 604251112 /nfs/dbraw/zinc/25/11/12/604251112.db2.gz MGPKJBWOAWYWSI-UHFFFAOYSA-N -1 1 390.484 2.133 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1OC ZINC000829358272 604255768 /nfs/dbraw/zinc/25/57/68/604255768.db2.gz YCNYBHZPWUWRRR-GDBMZVCRSA-N -1 1 393.484 2.030 20 0 GEADMM CN(Cc1nnnn1-c1ccccc1Br)C1(C(=O)[O-])CCCC1 ZINC000578027661 604463406 /nfs/dbraw/zinc/46/34/06/604463406.db2.gz FDUNPKPDZRCEDN-UHFFFAOYSA-N -1 1 380.246 2.254 20 0 GEADMM CCS(=O)(=O)Nc1ccccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833665306 604502277 /nfs/dbraw/zinc/50/22/77/604502277.db2.gz GHKUSZVDEMVGRJ-UHFFFAOYSA-N -1 1 388.405 2.275 20 0 GEADMM CC(C)OC[C@H](C(=O)[O-])N(C)CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000827015732 604515304 /nfs/dbraw/zinc/51/53/04/604515304.db2.gz GZZZARYCJDFWQW-MRXNPFEDSA-N -1 1 392.477 2.159 20 0 GEADMM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000826095748 604521871 /nfs/dbraw/zinc/52/18/71/604521871.db2.gz NBBHEHMWRJWDJN-SJLPKXTDSA-N -1 1 389.496 2.202 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CN1Cc1ccccc1 ZINC000828170344 604551599 /nfs/dbraw/zinc/55/15/99/604551599.db2.gz YTNPYAKWGVSSQS-DOMZBBRYSA-N -1 1 387.461 2.164 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)N2CCCCC2)cc1 ZINC000739896193 604587463 /nfs/dbraw/zinc/58/74/63/604587463.db2.gz ZHUNJMAHLOWQMG-SJLPKXTDSA-N -1 1 390.484 2.274 20 0 GEADMM CC(=O)N1CCC(N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000833389788 604678549 /nfs/dbraw/zinc/67/85/49/604678549.db2.gz GGGNFXCUZDXVAW-SFHVURJKSA-N -1 1 379.888 2.094 20 0 GEADMM CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)[O-])nc2)n[nH]1 ZINC000833511136 604687020 /nfs/dbraw/zinc/68/70/20/604687020.db2.gz CDTXOUDBMZRGBA-UHFFFAOYSA-N -1 1 387.421 2.489 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000827380018 604702199 /nfs/dbraw/zinc/70/21/99/604702199.db2.gz ONJQRRXQUXESCR-MRXNPFEDSA-N -1 1 390.480 2.003 20 0 GEADMM Cc1cc(CNC(=O)N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n[nH]1 ZINC000833745275 604758436 /nfs/dbraw/zinc/75/84/36/604758436.db2.gz AVAGFHRCNAGZTD-MRXNPFEDSA-N -1 1 391.859 2.025 20 0 GEADMM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CCN1CCSC[C@@H]1C ZINC000831230663 604765216 /nfs/dbraw/zinc/76/52/16/604765216.db2.gz HDABEJMTPQQQCX-VIFPVBQESA-N -1 1 386.495 2.307 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(-n2cccn2)cc1 ZINC000826294948 607716472 /nfs/dbraw/zinc/71/64/72/607716472.db2.gz KMVXJPUOKRCMGL-UHFFFAOYSA-N -1 1 384.403 2.119 20 0 GEADMM COc1ccnc(N2CCN(C(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)CC2)c1 ZINC000829651458 604837421 /nfs/dbraw/zinc/83/74/21/604837421.db2.gz ZOOKDRGHGDKWHV-HNNXBMFYSA-N -1 1 390.484 2.155 20 0 GEADMM COc1ccc(OCCCn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000826211820 607717790 /nfs/dbraw/zinc/71/77/90/607717790.db2.gz VWKKNJPOWUNQGG-UHFFFAOYSA-N -1 1 392.419 2.363 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NCC[C@H]3CCN(C(=O)[O-])C3)n2)cc1 ZINC000830161319 604846122 /nfs/dbraw/zinc/84/61/22/604846122.db2.gz YMULMVIPPAFWNE-ZDUSSCGKSA-N -1 1 389.481 2.378 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1ccc(Cl)s1 ZINC000826294969 607718553 /nfs/dbraw/zinc/71/85/53/607718553.db2.gz LLPWVTPGOUIUPG-UHFFFAOYSA-N -1 1 386.824 2.483 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc3c(C)n[nH]c3c2)c(OC)c1C(=O)[O-] ZINC000833734566 604862175 /nfs/dbraw/zinc/86/21/75/604862175.db2.gz NBXLQKPNYXCCBM-UHFFFAOYSA-N -1 1 391.405 2.388 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc3c(C)[nH]nc3c2)c(OC)c1C(=O)[O-] ZINC000833734566 604862176 /nfs/dbraw/zinc/86/21/76/604862176.db2.gz NBXLQKPNYXCCBM-UHFFFAOYSA-N -1 1 391.405 2.388 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)C1 ZINC000833419978 604863828 /nfs/dbraw/zinc/86/38/28/604863828.db2.gz LVMUJBZZUNBVBP-HTAPYJJXSA-N -1 1 399.491 2.246 20 0 GEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)C1 ZINC000833577191 604865554 /nfs/dbraw/zinc/86/55/54/604865554.db2.gz ICNIGYICQUWCRS-ZUOKHONESA-N -1 1 391.443 2.373 20 0 GEADMM CCc1[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)c1C(=O)[O-] ZINC000830191861 604917396 /nfs/dbraw/zinc/91/73/96/604917396.db2.gz KFIPCWYSINNVAF-SJLPKXTDSA-N -1 1 399.491 2.197 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)n2)cc1 ZINC000830159698 604918162 /nfs/dbraw/zinc/91/81/62/604918162.db2.gz HPORMOBYQIIQDH-CYBMUJFWSA-N -1 1 375.454 2.131 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCN1CCOC ZINC000829140840 604918422 /nfs/dbraw/zinc/91/84/22/604918422.db2.gz HEJFWLADGLNMHR-CQSZACIVSA-N -1 1 399.875 2.378 20 0 GEADMM CC(C)Cn1ncc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1C(F)F ZINC000833493292 604918564 /nfs/dbraw/zinc/91/85/64/604918564.db2.gz IAGWEODZDOQRBM-LBPRGKRZSA-N -1 1 387.431 2.489 20 0 GEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000833551837 604933128 /nfs/dbraw/zinc/93/31/28/604933128.db2.gz WUOOHWSPKLXQNQ-RHSMWYFYSA-N -1 1 375.473 2.049 20 0 GEADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833516468 604962724 /nfs/dbraw/zinc/96/27/24/604962724.db2.gz XIYROVIRIUHLIU-VMRPVKRXSA-N -1 1 394.471 2.349 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])n2)cc1 ZINC000830160303 604962887 /nfs/dbraw/zinc/96/28/87/604962887.db2.gz PSZVNZLQGFTRIP-KBPBESRZSA-N -1 1 389.481 2.425 20 0 GEADMM CCc1noc(C)c1[C@H](C)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000833678608 605004168 /nfs/dbraw/zinc/00/41/68/605004168.db2.gz ILLNPHASFVOSOO-LBPRGKRZSA-N -1 1 380.466 2.396 20 0 GEADMM CCc1nc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n[nH]1 ZINC000833675240 605005089 /nfs/dbraw/zinc/00/50/89/605005089.db2.gz ZBBFVJLIJDAVGK-ZETCQYMHSA-N -1 1 392.359 2.124 20 0 GEADMM Cc1cnc(N)c(S(=O)(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000547544605 605005802 /nfs/dbraw/zinc/00/58/02/605005802.db2.gz STKQMJBFKZXMFY-UHFFFAOYSA-N -1 1 386.227 2.234 20 0 GEADMM COc1ccccc1NC(=O)CN1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833736393 605006276 /nfs/dbraw/zinc/00/62/76/605006276.db2.gz IHONLCPHBDEWJQ-HXUWFJFHSA-N -1 1 383.448 2.077 20 0 GEADMM CCc1nc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)sc1C(=O)[O-] ZINC000833676316 605008083 /nfs/dbraw/zinc/00/80/83/605008083.db2.gz NFNACVXHWYIOMN-UHFFFAOYSA-N -1 1 387.421 2.039 20 0 GEADMM Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cn2)c1C(=O)[O-] ZINC000832973144 605013761 /nfs/dbraw/zinc/01/37/61/605013761.db2.gz WTDKRRZKYFBXAE-UHFFFAOYSA-N -1 1 375.406 2.016 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cn2)ccc1Cl ZINC000833305881 605014424 /nfs/dbraw/zinc/01/44/24/605014424.db2.gz NVTUQXNPGOKUNI-UHFFFAOYSA-N -1 1 395.824 2.361 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CCN1C ZINC000833597736 605040241 /nfs/dbraw/zinc/04/02/41/605040241.db2.gz MASFOBUEBFWJAJ-GXSJLCMTSA-N -1 1 380.388 2.165 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CN1C1CC1 ZINC000833598629 605046398 /nfs/dbraw/zinc/04/63/98/605046398.db2.gz TYHYUYRZMWRJMH-GXSJLCMTSA-N -1 1 392.399 2.307 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CN1Cc1ccccc1 ZINC000833598175 605047178 /nfs/dbraw/zinc/04/71/78/605047178.db2.gz PBHJCNIKFZMZAE-DZGCQCFKSA-N -1 1 392.452 2.465 20 0 GEADMM C[C@H]1C[C@@H](NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000833598143 605047357 /nfs/dbraw/zinc/04/73/57/605047357.db2.gz OLPBYBGZPNZYTC-XJKSGUPXSA-N -1 1 392.452 2.465 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000833626407 605050291 /nfs/dbraw/zinc/05/02/91/605050291.db2.gz QTTJCADNBARQHR-AWEZNQCLSA-N -1 1 394.541 2.145 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000833767739 605081341 /nfs/dbraw/zinc/08/13/41/605081341.db2.gz OTLRSMUYTYEUFM-MCIONIFRSA-N -1 1 378.226 2.088 20 0 GEADMM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000833741387 605124753 /nfs/dbraw/zinc/12/47/53/605124753.db2.gz KXNZUBYYPFYAIP-UHFFFAOYSA-N -1 1 383.451 2.120 20 0 GEADMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n[nH]1 ZINC000833511901 605143365 /nfs/dbraw/zinc/14/33/65/605143365.db2.gz DVSNSDRYQZRLRL-NSHDSACASA-N -1 1 378.454 2.084 20 0 GEADMM O=C([O-])c1c(NC(=O)CN[C@@]2(CO)CCc3ccccc32)sc2c1CCC2 ZINC000833765124 605143865 /nfs/dbraw/zinc/14/38/65/605143865.db2.gz XRQFVJABFKSUQE-HXUWFJFHSA-N -1 1 386.473 2.297 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000833620589 605158162 /nfs/dbraw/zinc/15/81/62/605158162.db2.gz LKAZUFLYRWZDLG-CYBMUJFWSA-N -1 1 395.297 2.488 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)nn1-c1ccccc1Cl ZINC000833742196 605158184 /nfs/dbraw/zinc/15/81/84/605158184.db2.gz HXQFJZXPOJOTJA-CQSZACIVSA-N -1 1 390.871 2.455 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000833620591 605158371 /nfs/dbraw/zinc/15/83/71/605158371.db2.gz LKAZUFLYRWZDLG-ZDUSSCGKSA-N -1 1 395.297 2.488 20 0 GEADMM CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000485258072 605160966 /nfs/dbraw/zinc/16/09/66/605160966.db2.gz FXXXUSSVXOXINY-UHFFFAOYSA-N -1 1 387.410 2.118 20 0 GEADMM CCN1C[C@H](C)N(C(=O)Nc2c(C(=O)[O-])cc(OC)c(OC)c2OC)C[C@H]1C ZINC000833656559 605165224 /nfs/dbraw/zinc/16/52/24/605165224.db2.gz JOEHZUCTNUGMLI-NEPJUHHUSA-N -1 1 395.456 2.357 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000833622573 605168782 /nfs/dbraw/zinc/16/87/82/605168782.db2.gz QFIZGRBDQAGQLM-HNNXBMFYSA-N -1 1 397.516 2.221 20 0 GEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1-c1ccccc1Cl ZINC000630218729 605181271 /nfs/dbraw/zinc/18/12/71/605181271.db2.gz FFPACWGCQYAOAF-ZDUSSCGKSA-N -1 1 390.871 2.455 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000833715448 605188209 /nfs/dbraw/zinc/18/82/09/605188209.db2.gz URZWIBCVZKFRPA-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM CC(C)CN(C(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)C1CC1 ZINC000833485252 605220193 /nfs/dbraw/zinc/22/01/93/605220193.db2.gz KFRDBOKXEXXZFT-JOCHJYFZSA-N -1 1 387.524 2.342 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccccc2NCc2cccnc2)CCN1CCC(=O)[O-] ZINC000833619289 605254356 /nfs/dbraw/zinc/25/43/56/605254356.db2.gz AKCAGTVUMLCWMS-MRXNPFEDSA-N -1 1 382.464 2.315 20 0 GEADMM CC(C)N1C(=O)N[C@]2(CCN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)C1=O ZINC000833499442 605266114 /nfs/dbraw/zinc/26/61/14/605266114.db2.gz GOIOEDKJCOKUSM-GUYCJALGSA-N -1 1 399.369 2.236 20 0 GEADMM CC(C)OC1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824309147 607745320 /nfs/dbraw/zinc/74/53/20/607745320.db2.gz GSLZPDFUDQPNAW-UHFFFAOYSA-N -1 1 383.449 2.020 20 0 GEADMM CC(C)OC1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824309147 607745321 /nfs/dbraw/zinc/74/53/21/607745321.db2.gz GSLZPDFUDQPNAW-UHFFFAOYSA-N -1 1 383.449 2.020 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)nn1-c1ccc(Cl)cc1 ZINC000833742873 605302242 /nfs/dbraw/zinc/30/22/42/605302242.db2.gz YMKOMKJUXLOCPN-CQSZACIVSA-N -1 1 390.871 2.455 20 0 GEADMM CCn1c(=O)c2ccc(-c3nc(C[C@@H](C)N(C)C(=O)[O-])no3)cc2[nH]c1=S ZINC000827694174 605303986 /nfs/dbraw/zinc/30/39/86/605303986.db2.gz QMRQFUHYPRLYET-SECBINFHSA-N -1 1 389.437 2.296 20 0 GEADMM O=C([O-])NCCOc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000834245974 605306136 /nfs/dbraw/zinc/30/61/36/605306136.db2.gz SZFARTCWGXDTLL-UHFFFAOYSA-N -1 1 376.394 2.010 20 0 GEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000834241410 605566369 /nfs/dbraw/zinc/56/63/69/605566369.db2.gz QQGJIQWBRRCORI-ZDUSSCGKSA-N -1 1 389.374 2.181 20 0 GEADMM O=C([O-])N1CCC[C@@H](NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC000834103069 605574994 /nfs/dbraw/zinc/57/49/94/605574994.db2.gz GNONZARFBSRPBC-MRXNPFEDSA-N -1 1 381.498 2.093 20 0 GEADMM O=C([O-])N1CC[C@@H](N(C(=O)NC[C@H](c2ccco2)N2CCCC2)C2CC2)C1 ZINC000831928281 605600683 /nfs/dbraw/zinc/60/06/83/605600683.db2.gz LAJPWCCPPOTLDY-HZPDHXFCSA-N -1 1 376.457 2.343 20 0 GEADMM C[C@H](CNC(=O)C[C@H]1CSCCN1C(=O)[O-])N1CCc2ccccc2C1 ZINC000824920986 605603816 /nfs/dbraw/zinc/60/38/16/605603816.db2.gz AGEFTJLDTQRCCQ-PBHICJAKSA-N -1 1 377.510 2.035 20 0 GEADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833919560 605618839 /nfs/dbraw/zinc/61/88/39/605618839.db2.gz KVPYDDFSGZEOSF-INIZCTEOSA-N -1 1 378.473 2.168 20 0 GEADMM O=C([O-])N1CC(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000834033830 605767994 /nfs/dbraw/zinc/76/79/94/605767994.db2.gz ODZRQKIQOXHLJZ-MRXNPFEDSA-N -1 1 380.876 2.386 20 0 GEADMM O=C([O-])N1CCC[C@@H](NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834099682 605822888 /nfs/dbraw/zinc/82/28/88/605822888.db2.gz QDGIYTYUMICCQB-CABCVRRESA-N -1 1 384.440 2.461 20 0 GEADMM C[C@@H]1CN(C(=O)[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833617310 605856973 /nfs/dbraw/zinc/85/69/73/605856973.db2.gz CAEGGAMMPIZRKR-FOIQADDNSA-N -1 1 397.516 2.174 20 0 GEADMM C[C@H]1CN(C(=O)[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833617311 605857000 /nfs/dbraw/zinc/85/70/00/605857000.db2.gz CAEGGAMMPIZRKR-MGPUTAFESA-N -1 1 397.516 2.174 20 0 GEADMM C[C@H]1Cc2cc(S(=O)(=O)Nc3cnc4c(c3)CN(C(=O)[O-])CC4)ccc2O1 ZINC000833837634 605876569 /nfs/dbraw/zinc/87/65/69/605876569.db2.gz JJFUBKJBDTUJLH-NSHDSACASA-N -1 1 389.433 2.242 20 0 GEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000833831918 605896417 /nfs/dbraw/zinc/89/64/17/605896417.db2.gz QMBRPWKQGQIOQO-WDEREUQCSA-N -1 1 391.365 2.439 20 0 GEADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000833831027 605906537 /nfs/dbraw/zinc/90/65/37/605906537.db2.gz MFNIXMWLENVSNF-DGCLKSJQSA-N -1 1 389.374 2.179 20 0 GEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830084 605906656 /nfs/dbraw/zinc/90/66/56/605906656.db2.gz JMBLWWYFPKDNHC-MGPQQGTHSA-N -1 1 377.441 2.153 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596174 605938757 /nfs/dbraw/zinc/93/87/57/605938757.db2.gz JGFKHTRPWWKGDR-DZGCQCFKSA-N -1 1 399.422 2.242 20 0 GEADMM O=C([O-])N1CCSC[C@H]1CC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000833989354 605975212 /nfs/dbraw/zinc/97/52/12/605975212.db2.gz VICMDQOWYVSFGL-OAHLLOKOSA-N -1 1 393.509 2.067 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cn1 ZINC000834279256 606027976 /nfs/dbraw/zinc/02/79/76/606027976.db2.gz RFVQSINMMDIOSC-UHFFFAOYSA-N -1 1 377.158 2.458 20 0 GEADMM COC1CCC(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000821679807 606116861 /nfs/dbraw/zinc/11/68/61/606116861.db2.gz NHUIRYPJIWTKRQ-UHFFFAOYSA-N -1 1 384.440 2.494 20 0 GEADMM COC1CCC(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000821679807 606116863 /nfs/dbraw/zinc/11/68/63/606116863.db2.gz NHUIRYPJIWTKRQ-UHFFFAOYSA-N -1 1 384.440 2.494 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000820513410 606131868 /nfs/dbraw/zinc/13/18/68/606131868.db2.gz ZGRWDEHUKNVHJG-FIQHERPVSA-N -1 1 377.470 2.414 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000820513410 606131869 /nfs/dbraw/zinc/13/18/69/606131869.db2.gz ZGRWDEHUKNVHJG-FIQHERPVSA-N -1 1 377.470 2.414 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCCc2ccccc21 ZINC000820508683 606133844 /nfs/dbraw/zinc/13/38/44/606133844.db2.gz VDZSBPIPTAWQRD-NSHDSACASA-N -1 1 383.433 2.453 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCCc2ccccc21 ZINC000820508683 606133845 /nfs/dbraw/zinc/13/38/45/606133845.db2.gz VDZSBPIPTAWQRD-NSHDSACASA-N -1 1 383.433 2.453 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCC[C@H](C)C1 ZINC000820706353 606137791 /nfs/dbraw/zinc/13/77/91/606137791.db2.gz YXPATARJQKOUCZ-FZMZJTMJSA-N -1 1 377.470 2.368 20 0 GEADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCC[C@H](C)C1 ZINC000820706353 606137792 /nfs/dbraw/zinc/13/77/92/606137792.db2.gz YXPATARJQKOUCZ-FZMZJTMJSA-N -1 1 377.470 2.368 20 0 GEADMM Cc1cc(C)c(CCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822194415 606137815 /nfs/dbraw/zinc/13/78/15/606137815.db2.gz WNHLUSSPHJCZAV-UHFFFAOYSA-N -1 1 399.476 2.369 20 0 GEADMM Cc1cc(C)c(CCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822194415 606137816 /nfs/dbraw/zinc/13/78/16/606137816.db2.gz WNHLUSSPHJCZAV-UHFFFAOYSA-N -1 1 399.476 2.369 20 0 GEADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821616005 606158849 /nfs/dbraw/zinc/15/88/49/606158849.db2.gz YNXLHNTYXQDUDY-UHFFFAOYSA-N -1 1 396.333 2.163 20 0 GEADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821616005 606158850 /nfs/dbraw/zinc/15/88/50/606158850.db2.gz YNXLHNTYXQDUDY-UHFFFAOYSA-N -1 1 396.333 2.163 20 0 GEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)S(=O)(=O)c1ccc(C)cc1 ZINC000821161184 606176714 /nfs/dbraw/zinc/17/67/14/606176714.db2.gz WABXHFFZOJBMOI-UHFFFAOYSA-N -1 1 377.451 2.088 20 0 GEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)S(=O)(=O)c1ccc(C)cc1 ZINC000821161184 606176716 /nfs/dbraw/zinc/17/67/16/606176716.db2.gz WABXHFFZOJBMOI-UHFFFAOYSA-N -1 1 377.451 2.088 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)no1 ZINC000822010132 606192831 /nfs/dbraw/zinc/19/28/31/606192831.db2.gz OWKDMCGBLGIIKE-UHFFFAOYSA-N -1 1 397.317 2.162 20 0 GEADMM O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396760 606205934 /nfs/dbraw/zinc/20/59/34/606205934.db2.gz NFLYQEJNMNLFIE-AWEZNQCLSA-N -1 1 397.460 2.176 20 0 GEADMM O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396760 606205935 /nfs/dbraw/zinc/20/59/35/606205935.db2.gz NFLYQEJNMNLFIE-AWEZNQCLSA-N -1 1 397.460 2.176 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCOc1ccccc1 ZINC000822004981 606214585 /nfs/dbraw/zinc/21/45/85/606214585.db2.gz MVXWWYYQNANFGW-UHFFFAOYSA-N -1 1 396.451 2.054 20 0 GEADMM Cc1nc(C)c(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)o1 ZINC000822427811 606227605 /nfs/dbraw/zinc/22/76/05/606227605.db2.gz VVUJLOKLQNQDQQ-UHFFFAOYSA-N -1 1 379.380 2.323 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1n[nH]c(C2CC2)c1Br ZINC000823294870 606296141 /nfs/dbraw/zinc/29/61/41/606296141.db2.gz VPBCRIXOPQHMHO-UHFFFAOYSA-N -1 1 390.201 2.188 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccnc(OCC(F)(F)F)c1 ZINC000823294583 606298568 /nfs/dbraw/zinc/29/85/68/606298568.db2.gz IMJMHYPGMVXIGV-UHFFFAOYSA-N -1 1 380.286 2.161 20 0 GEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822457982 606355386 /nfs/dbraw/zinc/35/53/86/606355386.db2.gz BKGVNFUZFJMMQY-GFCCVEGCSA-N -1 1 393.407 2.079 20 0 GEADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)ccc21 ZINC000822699195 606359513 /nfs/dbraw/zinc/35/95/13/606359513.db2.gz RURBCERSRQTFLV-UHFFFAOYSA-N -1 1 389.828 2.208 20 0 GEADMM CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-c3nn[n-]n3)s2)N(C)C(=O)N1C ZINC000820641266 606393604 /nfs/dbraw/zinc/39/36/04/606393604.db2.gz BGYHERROOQUQLB-CQSZACIVSA-N -1 1 390.469 2.440 20 0 GEADMM COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821654292 606394251 /nfs/dbraw/zinc/39/42/51/606394251.db2.gz ZMXWJJZXSPGUKH-AWEZNQCLSA-N -1 1 390.469 2.488 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CCc1ccco1 ZINC000822005057 606410923 /nfs/dbraw/zinc/41/09/23/606410923.db2.gz NPXIMACUIRDWKE-LLVKDONJSA-N -1 1 384.440 2.247 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821572029 606479308 /nfs/dbraw/zinc/47/93/08/606479308.db2.gz OUABZECKISWPKP-GFCCVEGCSA-N -1 1 396.455 2.256 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821572029 606479310 /nfs/dbraw/zinc/47/93/10/606479310.db2.gz OUABZECKISWPKP-GFCCVEGCSA-N -1 1 396.455 2.256 20 0 GEADMM Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822230367 606501774 /nfs/dbraw/zinc/50/17/74/606501774.db2.gz DRHOQKHUUWVPLR-HNNXBMFYSA-N -1 1 398.492 2.040 20 0 GEADMM Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822230367 606501775 /nfs/dbraw/zinc/50/17/75/606501775.db2.gz DRHOQKHUUWVPLR-HNNXBMFYSA-N -1 1 398.492 2.040 20 0 GEADMM CCOCCOCc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821383273 606510029 /nfs/dbraw/zinc/51/00/29/606510029.db2.gz APVRAXOQTWDUPJ-UHFFFAOYSA-N -1 1 387.465 2.411 20 0 GEADMM CCOCCOCc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821383273 606510030 /nfs/dbraw/zinc/51/00/30/606510030.db2.gz APVRAXOQTWDUPJ-UHFFFAOYSA-N -1 1 387.465 2.411 20 0 GEADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820876092 606513008 /nfs/dbraw/zinc/51/30/08/606513008.db2.gz LLEQDEWIQLAQBB-NSHDSACASA-N -1 1 384.465 2.387 20 0 GEADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820876092 606513010 /nfs/dbraw/zinc/51/30/10/606513010.db2.gz LLEQDEWIQLAQBB-NSHDSACASA-N -1 1 384.465 2.387 20 0 GEADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000820876091 606513315 /nfs/dbraw/zinc/51/33/15/606513315.db2.gz LLEQDEWIQLAQBB-LLVKDONJSA-N -1 1 384.465 2.387 20 0 GEADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820876091 606513317 /nfs/dbraw/zinc/51/33/17/606513317.db2.gz LLEQDEWIQLAQBB-LLVKDONJSA-N -1 1 384.465 2.387 20 0 GEADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000821442896 606527408 /nfs/dbraw/zinc/52/74/08/606527408.db2.gz WZNISALVZJDEMQ-UHFFFAOYSA-N -1 1 392.466 2.251 20 0 GEADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000821442896 606527409 /nfs/dbraw/zinc/52/74/09/606527409.db2.gz WZNISALVZJDEMQ-UHFFFAOYSA-N -1 1 392.466 2.251 20 0 GEADMM CCOC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000821321212 606536252 /nfs/dbraw/zinc/53/62/52/606536252.db2.gz WMEHXTSSTFZRJO-ZDUSSCGKSA-N -1 1 385.449 2.080 20 0 GEADMM CCOC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC000821321212 606536254 /nfs/dbraw/zinc/53/62/54/606536254.db2.gz WMEHXTSSTFZRJO-ZDUSSCGKSA-N -1 1 385.449 2.080 20 0 GEADMM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821056824 606540842 /nfs/dbraw/zinc/54/08/42/606540842.db2.gz YJGVKKJHODPVID-ZDUSSCGKSA-N -1 1 390.513 2.477 20 0 GEADMM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821056824 606540843 /nfs/dbraw/zinc/54/08/43/606540843.db2.gz YJGVKKJHODPVID-ZDUSSCGKSA-N -1 1 390.513 2.477 20 0 GEADMM CCC1(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCC1 ZINC000820961934 606552885 /nfs/dbraw/zinc/55/28/85/606552885.db2.gz FXCBDSLFGFOYAO-UHFFFAOYSA-N -1 1 382.472 2.155 20 0 GEADMM CCC1(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCC1 ZINC000820961934 606552887 /nfs/dbraw/zinc/55/28/87/606552887.db2.gz FXCBDSLFGFOYAO-UHFFFAOYSA-N -1 1 382.472 2.155 20 0 GEADMM CN(C)C(=O)Sc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821578030 606560459 /nfs/dbraw/zinc/56/04/59/606560459.db2.gz KERDHGSHARBZFL-UHFFFAOYSA-N -1 1 384.421 2.392 20 0 GEADMM CN(C)C(=O)Sc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821578030 606560462 /nfs/dbraw/zinc/56/04/62/606560462.db2.gz KERDHGSHARBZFL-UHFFFAOYSA-N -1 1 384.421 2.392 20 0 GEADMM COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821694492 606565270 /nfs/dbraw/zinc/56/52/70/606565270.db2.gz PLJVDXOMEQGCHZ-AREMUKBSSA-N -1 1 391.478 2.076 20 0 GEADMM COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821694492 606565272 /nfs/dbraw/zinc/56/52/72/606565272.db2.gz PLJVDXOMEQGCHZ-AREMUKBSSA-N -1 1 391.478 2.076 20 0 GEADMM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823166483 606580367 /nfs/dbraw/zinc/58/03/67/606580367.db2.gz LSFXBBDAHXGFRF-CQSZACIVSA-N -1 1 383.355 2.108 20 0 GEADMM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823166483 606580368 /nfs/dbraw/zinc/58/03/68/606580368.db2.gz LSFXBBDAHXGFRF-CQSZACIVSA-N -1 1 383.355 2.108 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000821308529 606598302 /nfs/dbraw/zinc/59/83/02/606598302.db2.gz CNYHHEYGYKZMOI-UHFFFAOYSA-N -1 1 380.380 2.378 20 0 GEADMM COc1cc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)[nH]c2cc1OC ZINC000821727373 606648044 /nfs/dbraw/zinc/64/80/44/606648044.db2.gz IRSLELCAQOEUPS-UHFFFAOYSA-N -1 1 380.364 2.117 20 0 GEADMM COc1cc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)[nH]c2cc1OC ZINC000821727373 606648045 /nfs/dbraw/zinc/64/80/45/606648045.db2.gz IRSLELCAQOEUPS-UHFFFAOYSA-N -1 1 380.364 2.117 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(N2CCCCCC2)nc1 ZINC000823436354 606649074 /nfs/dbraw/zinc/64/90/74/606649074.db2.gz RERJFOOCTJFDIK-UHFFFAOYSA-N -1 1 379.424 2.394 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(N2CCCCCC2)nc1 ZINC000823436354 606649075 /nfs/dbraw/zinc/64/90/75/606649075.db2.gz RERJFOOCTJFDIK-UHFFFAOYSA-N -1 1 379.424 2.394 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccccc1F ZINC000822020883 606649780 /nfs/dbraw/zinc/64/97/80/606649780.db2.gz MNTZSOFGRFICQU-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccccc1F ZINC000822020883 606649781 /nfs/dbraw/zinc/64/97/81/606649781.db2.gz MNTZSOFGRFICQU-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822486428 606651214 /nfs/dbraw/zinc/65/12/14/606651214.db2.gz JVASEXKAWJARGI-UHFFFAOYSA-N -1 1 389.419 2.350 20 0 GEADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822486428 606651215 /nfs/dbraw/zinc/65/12/15/606651215.db2.gz JVASEXKAWJARGI-UHFFFAOYSA-N -1 1 389.419 2.350 20 0 GEADMM CSc1nc(C)c(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)n1 ZINC000821989913 606653698 /nfs/dbraw/zinc/65/36/98/606653698.db2.gz NZKGSNJIVDYXHJ-UHFFFAOYSA-N -1 1 385.453 2.066 20 0 GEADMM CSc1nc(C)c(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)n1 ZINC000821989913 606653699 /nfs/dbraw/zinc/65/36/99/606653699.db2.gz NZKGSNJIVDYXHJ-UHFFFAOYSA-N -1 1 385.453 2.066 20 0 GEADMM CCOc1cccc2c1OCC(C(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])=C2 ZINC000821431273 606658288 /nfs/dbraw/zinc/65/82/88/606658288.db2.gz OEGWPBWAAFMBEU-UHFFFAOYSA-N -1 1 379.376 2.386 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](CO)c1ccccc1 ZINC000822535327 606698825 /nfs/dbraw/zinc/69/88/25/606698825.db2.gz NLCWJVVZUXAKJG-OAHLLOKOSA-N -1 1 392.419 2.065 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](CO)c1ccccc1 ZINC000822535327 606698826 /nfs/dbraw/zinc/69/88/26/606698826.db2.gz NLCWJVVZUXAKJG-OAHLLOKOSA-N -1 1 392.419 2.065 20 0 GEADMM Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000822486504 606746054 /nfs/dbraw/zinc/74/60/54/606746054.db2.gz MBTWEFVDQURZTC-LBPRGKRZSA-N -1 1 381.318 2.072 20 0 GEADMM Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000822486504 606746056 /nfs/dbraw/zinc/74/60/56/606746056.db2.gz MBTWEFVDQURZTC-LBPRGKRZSA-N -1 1 381.318 2.072 20 0 GEADMM Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)ccc1F ZINC000822152046 606747970 /nfs/dbraw/zinc/74/79/70/606747970.db2.gz FBMDQFJHFWBXIC-JTQLQIEISA-N -1 1 394.370 2.250 20 0 GEADMM Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)ccc1F ZINC000822152046 606747971 /nfs/dbraw/zinc/74/79/71/606747971.db2.gz FBMDQFJHFWBXIC-JTQLQIEISA-N -1 1 394.370 2.250 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822535177 606752546 /nfs/dbraw/zinc/75/25/46/606752546.db2.gz IRVYIWMOMNOGES-MJBXVCDLSA-N -1 1 382.424 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822535177 606752548 /nfs/dbraw/zinc/75/25/48/606752548.db2.gz IRVYIWMOMNOGES-MJBXVCDLSA-N -1 1 382.424 2.246 20 0 GEADMM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823391714 606753182 /nfs/dbraw/zinc/75/31/82/606753182.db2.gz CCFAGKBPFJAGNN-JTQLQIEISA-N -1 1 391.359 2.169 20 0 GEADMM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823391714 606753184 /nfs/dbraw/zinc/75/31/84/606753184.db2.gz CCFAGKBPFJAGNN-JTQLQIEISA-N -1 1 391.359 2.169 20 0 GEADMM Cc1oc(NC(=O)COC(=O)[C@H]2C[C@@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822548299 606753448 /nfs/dbraw/zinc/75/34/48/606753448.db2.gz HOXVMKAGZYOKGT-GJZGRUSLSA-N -1 1 395.419 2.437 20 0 GEADMM CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821242547 606763612 /nfs/dbraw/zinc/76/36/12/606763612.db2.gz VEXPCVZMTUEMTL-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2cc(F)c(F)cc21 ZINC000823606256 606763818 /nfs/dbraw/zinc/76/38/18/606763818.db2.gz HRMRSTRHERDTSY-UHFFFAOYSA-N -1 1 381.339 2.035 20 0 GEADMM CCC(=O)c1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000820841783 606767667 /nfs/dbraw/zinc/76/76/67/606767667.db2.gz DNDDEPHCRWJDGN-UHFFFAOYSA-N -1 1 397.391 2.465 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000822224084 606779581 /nfs/dbraw/zinc/77/95/81/606779581.db2.gz VVNNYLDXQQDTRT-UHFFFAOYSA-N -1 1 375.458 2.288 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(C(C)(C)C)cs1 ZINC000820804129 606783265 /nfs/dbraw/zinc/78/32/65/606783265.db2.gz MWRQFTADTGOLQM-GFCCVEGCSA-N -1 1 399.528 2.121 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(C(C)(C)C)cs1 ZINC000820804129 606783267 /nfs/dbraw/zinc/78/32/67/606783267.db2.gz MWRQFTADTGOLQM-GFCCVEGCSA-N -1 1 399.528 2.121 20 0 GEADMM O=C(C1CCCC1)N1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822916812 606792470 /nfs/dbraw/zinc/79/24/70/606792470.db2.gz DYKADNVRIBDFMP-CYBMUJFWSA-N -1 1 378.440 2.013 20 0 GEADMM O=C(C1CCCC1)N1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822916812 606792472 /nfs/dbraw/zinc/79/24/72/606792472.db2.gz DYKADNVRIBDFMP-CYBMUJFWSA-N -1 1 378.440 2.013 20 0 GEADMM COc1ccccc1N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000821897237 606809298 /nfs/dbraw/zinc/80/92/98/606809298.db2.gz GVXHCFKZJDYNNE-NSHDSACASA-N -1 1 385.815 2.141 20 0 GEADMM COc1ccccc1N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000821897237 606809299 /nfs/dbraw/zinc/80/92/99/606809299.db2.gz GVXHCFKZJDYNNE-NSHDSACASA-N -1 1 385.815 2.141 20 0 GEADMM Cn1[nH]cnc1=NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000822714751 606813196 /nfs/dbraw/zinc/81/31/96/606813196.db2.gz STZKMROJXDQMRL-UHFFFAOYSA-N -1 1 396.798 2.115 20 0 GEADMM CCC(CC)[C@H](O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820893581 606813451 /nfs/dbraw/zinc/81/34/51/606813451.db2.gz RSBSVDMCLNHGSC-CQSZACIVSA-N -1 1 390.513 2.388 20 0 GEADMM CC[C@@H]1CC[C@H](C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)O1 ZINC000820972574 606828168 /nfs/dbraw/zinc/82/81/68/606828168.db2.gz PMCFZGAXSBKOSG-GDBMZVCRSA-N -1 1 382.424 2.362 20 0 GEADMM O=C(Nc1ccsc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823375884 606830706 /nfs/dbraw/zinc/83/07/06/606830706.db2.gz NYTONBWUBYNDEV-UHFFFAOYSA-N -1 1 386.441 2.148 20 0 GEADMM CCOc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821417375 606840311 /nfs/dbraw/zinc/84/03/11/606840311.db2.gz MMRVARPJHDRPPM-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(Cc1ccc(F)cc1)C1CC1 ZINC000823600312 606841313 /nfs/dbraw/zinc/84/13/13/606841313.db2.gz FZJLDSBZYIHARQ-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM CN(CCc1ccccc1F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821604703 606843767 /nfs/dbraw/zinc/84/37/67/606843767.db2.gz BLZFLKKOFAQVIX-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821161485 606844139 /nfs/dbraw/zinc/84/41/39/606844139.db2.gz YMHAYQAULVVYBW-NSHDSACASA-N -1 1 376.417 2.173 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCSC2(CCCCC2)C1 ZINC000823607355 606845809 /nfs/dbraw/zinc/84/58/09/606845809.db2.gz SIZOXMLSMASFFN-UHFFFAOYSA-N -1 1 397.501 2.446 20 0 GEADMM COC(=O)CSc1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000821663778 606867697 /nfs/dbraw/zinc/86/76/97/606867697.db2.gz NTMLJGIVCNMWHQ-UHFFFAOYSA-N -1 1 376.419 2.413 20 0 GEADMM CCC[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000821040640 606872920 /nfs/dbraw/zinc/87/29/20/606872920.db2.gz NZAUQGXFGHQDQQ-OAHLLOKOSA-N -1 1 396.499 2.498 20 0 GEADMM CCC[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000821040640 606872921 /nfs/dbraw/zinc/87/29/21/606872921.db2.gz NZAUQGXFGHQDQQ-OAHLLOKOSA-N -1 1 396.499 2.498 20 0 GEADMM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820814200 606889701 /nfs/dbraw/zinc/88/97/01/606889701.db2.gz STPPJKPGAFAHNH-PSLIRLAXSA-N -1 1 391.403 2.357 20 0 GEADMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c3nn[nH]n3)cc1F)CC2 ZINC000822274683 606890488 /nfs/dbraw/zinc/89/04/88/606890488.db2.gz FVZZHWOSCYLYPV-OAHLLOKOSA-N -1 1 391.403 2.419 20 0 GEADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C[C@@H]1COC(=O)C1 ZINC000822211530 606995871 /nfs/dbraw/zinc/99/58/71/606995871.db2.gz CSRUHPOPXYIXKR-LBPRGKRZSA-N -1 1 394.391 2.254 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2c(F)cc(F)cc2C1 ZINC000823606795 607007608 /nfs/dbraw/zinc/00/76/08/607007608.db2.gz MYTSFZADDPEZKM-UHFFFAOYSA-N -1 1 395.366 2.031 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000823379745 607024985 /nfs/dbraw/zinc/02/49/85/607024985.db2.gz GXZBNGVLXRGFRQ-SECBINFHSA-N -1 1 389.466 2.018 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000823379745 607024987 /nfs/dbraw/zinc/02/49/87/607024987.db2.gz GXZBNGVLXRGFRQ-SECBINFHSA-N -1 1 389.466 2.018 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000821988233 607128949 /nfs/dbraw/zinc/12/89/49/607128949.db2.gz DDVGTGZHBNSWSU-MNOVXSKESA-N -1 1 388.497 2.406 20 0 GEADMM CCC1(CC)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1OC ZINC000820957019 607159516 /nfs/dbraw/zinc/15/95/16/607159516.db2.gz MKBXERLVXPXOCJ-NEPJUHHUSA-N -1 1 392.485 2.013 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CC2CCC1CC2 ZINC000822459803 607168200 /nfs/dbraw/zinc/16/82/00/607168200.db2.gz XFXOVTKRTVFBCI-MQBCKMQZSA-N -1 1 394.483 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC2CCC1CC2 ZINC000822459803 607168201 /nfs/dbraw/zinc/16/82/01/607168201.db2.gz XFXOVTKRTVFBCI-MQBCKMQZSA-N -1 1 394.483 2.154 20 0 GEADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1Oc1ccccc1 ZINC000820334812 607212521 /nfs/dbraw/zinc/21/25/21/607212521.db2.gz QPXRZTXTVNEQGC-ZDUSSCGKSA-N -1 1 390.407 2.128 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000823127284 607214510 /nfs/dbraw/zinc/21/45/10/607214510.db2.gz YXLKLBRMPQOCPT-HNNXBMFYSA-N -1 1 386.847 2.159 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000823122498 607214522 /nfs/dbraw/zinc/21/45/22/607214522.db2.gz CXLGYYXEOWMISR-UHFFFAOYSA-N -1 1 386.847 2.083 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCCc2ccccc2Br)n1 ZINC000822604281 607239254 /nfs/dbraw/zinc/23/92/54/607239254.db2.gz BKDOTZWAYMKHDJ-UHFFFAOYSA-N -1 1 390.245 2.324 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCCc2ccccc2Br)n1 ZINC000822604281 607239255 /nfs/dbraw/zinc/23/92/55/607239255.db2.gz BKDOTZWAYMKHDJ-UHFFFAOYSA-N -1 1 390.245 2.324 20 0 GEADMM CC(C)CN(CC(F)(F)F)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824255377 607864194 /nfs/dbraw/zinc/86/41/94/607864194.db2.gz HNNMIEIIENXXEL-UHFFFAOYSA-N -1 1 375.326 2.432 20 0 GEADMM CC(C)CN(CC(F)(F)F)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824255377 607864195 /nfs/dbraw/zinc/86/41/95/607864195.db2.gz HNNMIEIIENXXEL-UHFFFAOYSA-N -1 1 375.326 2.432 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000826418317 607865647 /nfs/dbraw/zinc/86/56/47/607865647.db2.gz AKBMAKGZRYVQQH-AWEZNQCLSA-N -1 1 396.426 2.027 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000826418317 607865648 /nfs/dbraw/zinc/86/56/48/607865648.db2.gz AKBMAKGZRYVQQH-AWEZNQCLSA-N -1 1 396.426 2.027 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](C)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332349 607919379 /nfs/dbraw/zinc/91/93/79/607919379.db2.gz RAGRZMPRZISUBP-ZDUSSCGKSA-N -1 1 396.451 2.467 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC12CCC(CC1)C2 ZINC000826328190 607945022 /nfs/dbraw/zinc/94/50/22/607945022.db2.gz IKIQYMCMHJXBDI-UHFFFAOYSA-N -1 1 394.483 2.155 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC12CCC(CC1)C2 ZINC000826328190 607945023 /nfs/dbraw/zinc/94/50/23/607945023.db2.gz IKIQYMCMHJXBDI-UHFFFAOYSA-N -1 1 394.483 2.155 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1ccncc1 ZINC000826328019 607959902 /nfs/dbraw/zinc/95/99/02/607959902.db2.gz CWIKDQSXAPOZRL-ZDUSSCGKSA-N -1 1 392.423 2.158 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1ccncc1 ZINC000826328019 607959903 /nfs/dbraw/zinc/95/99/03/607959903.db2.gz CWIKDQSXAPOZRL-ZDUSSCGKSA-N -1 1 392.423 2.158 20 0 GEADMM O=C1C[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1Cc1ccccc1 ZINC000826479475 607969173 /nfs/dbraw/zinc/96/91/73/607969173.db2.gz ZLXGZYLPJUVCHH-ZDUSSCGKSA-N -1 1 383.843 2.376 20 0 GEADMM O=C1C[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1Cc1ccccc1 ZINC000826479475 607969174 /nfs/dbraw/zinc/96/91/74/607969174.db2.gz ZLXGZYLPJUVCHH-ZDUSSCGKSA-N -1 1 383.843 2.376 20 0 GEADMM CC(C)Cn1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1C(F)F ZINC000824285071 607980267 /nfs/dbraw/zinc/98/02/67/607980267.db2.gz WEKNFAZWQWGBPC-UHFFFAOYSA-N -1 1 377.355 2.409 20 0 GEADMM CC(C)Cn1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1C(F)F ZINC000824285071 607980268 /nfs/dbraw/zinc/98/02/68/607980268.db2.gz WEKNFAZWQWGBPC-UHFFFAOYSA-N -1 1 377.355 2.409 20 0 GEADMM Cc1nn(C[C@@H](O)c2ccc(Cl)cc2Cl)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334380 607982118 /nfs/dbraw/zinc/98/21/18/607982118.db2.gz SGCZPAJEZOUHPA-GFCCVEGCSA-N -1 1 381.223 2.081 20 0 GEADMM COc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1OC(F)F ZINC000826214678 607997495 /nfs/dbraw/zinc/99/74/95/607997495.db2.gz SZSQYXUYXFZRGH-UHFFFAOYSA-N -1 1 377.307 2.435 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](c1ccccc1)N1CCSCC1 ZINC000826450905 607999156 /nfs/dbraw/zinc/99/91/56/607999156.db2.gz ILLDCCBPHXOVFU-KRWDZBQOSA-N -1 1 396.476 2.301 20 0 GEADMM Cc1nn(Cc2cccc(Br)c2C)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334802 608054894 /nfs/dbraw/zinc/05/48/94/608054894.db2.gz KDFJGSXHTJYHMY-UHFFFAOYSA-N -1 1 375.230 2.159 20 0 GEADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCN1CC(F)(F)F ZINC000824991442 608100268 /nfs/dbraw/zinc/10/02/68/608100268.db2.gz BBVAEODFTMABCP-NSHDSACASA-N -1 1 377.374 2.488 20 0 GEADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCN1CC(F)(F)F ZINC000824991442 608100269 /nfs/dbraw/zinc/10/02/69/608100269.db2.gz BBVAEODFTMABCP-NSHDSACASA-N -1 1 377.374 2.488 20 0 GEADMM CCC[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)C ZINC000825225208 608117430 /nfs/dbraw/zinc/11/74/30/608117430.db2.gz OEIVUNTUFXUBND-AWEZNQCLSA-N -1 1 387.488 2.453 20 0 GEADMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824466026 608124022 /nfs/dbraw/zinc/12/40/22/608124022.db2.gz VEHDPAMLEWKTMF-SNVBAGLBSA-N -1 1 382.815 2.126 20 0 GEADMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824466026 608124023 /nfs/dbraw/zinc/12/40/23/608124023.db2.gz VEHDPAMLEWKTMF-SNVBAGLBSA-N -1 1 382.815 2.126 20 0 GEADMM C[C@@H]1CCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824925484 608145329 /nfs/dbraw/zinc/14/53/29/608145329.db2.gz DDPFCGJCIUAPPT-CHWSQXEVSA-N -1 1 397.439 2.200 20 0 GEADMM CCCC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)CCC ZINC000825219561 608161737 /nfs/dbraw/zinc/16/17/37/608161737.db2.gz KLAOELFSNCXVFM-CQSZACIVSA-N -1 1 384.488 2.220 20 0 GEADMM CCCC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)CCC ZINC000825219561 608161739 /nfs/dbraw/zinc/16/17/39/608161739.db2.gz KLAOELFSNCXVFM-CQSZACIVSA-N -1 1 384.488 2.220 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](CO)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826231595 608163239 /nfs/dbraw/zinc/16/32/39/608163239.db2.gz QVZDMCKCTQIMFY-LLVKDONJSA-N -1 1 390.513 2.388 20 0 GEADMM O=C(N[C@@H](CO)C1CC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826426604 608174863 /nfs/dbraw/zinc/17/48/63/608174863.db2.gz RHHDGLYBSGIPPG-HNNXBMFYSA-N -1 1 383.383 2.299 20 0 GEADMM O=C(N[C@@H](CO)C1CC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826426604 608174864 /nfs/dbraw/zinc/17/48/64/608174864.db2.gz RHHDGLYBSGIPPG-HNNXBMFYSA-N -1 1 383.383 2.299 20 0 GEADMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000825146228 608181733 /nfs/dbraw/zinc/18/17/33/608181733.db2.gz AUBZHNZAMKICDZ-VIFPVBQESA-N -1 1 399.889 2.187 20 0 GEADMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000825146228 608181735 /nfs/dbraw/zinc/18/17/35/608181735.db2.gz AUBZHNZAMKICDZ-VIFPVBQESA-N -1 1 399.889 2.187 20 0 GEADMM Cc1ccsc1[C@@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826315699 608188089 /nfs/dbraw/zinc/18/80/89/608188089.db2.gz QGUNXTINCBNOGU-GFCCVEGCSA-N -1 1 398.448 2.392 20 0 GEADMM Cc1ccsc1[C@@H](CO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826315699 608188090 /nfs/dbraw/zinc/18/80/90/608188090.db2.gz QGUNXTINCBNOGU-GFCCVEGCSA-N -1 1 398.448 2.392 20 0 GEADMM Nn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1-c1cccs1 ZINC000826396976 608191829 /nfs/dbraw/zinc/19/18/29/608191829.db2.gz QDHDBNSIBHVHLP-UHFFFAOYSA-N -1 1 383.875 2.162 20 0 GEADMM Nn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000826396976 608191830 /nfs/dbraw/zinc/19/18/30/608191830.db2.gz QDHDBNSIBHVHLP-UHFFFAOYSA-N -1 1 383.875 2.162 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@]1(O)CCSC1 ZINC000826442346 608243712 /nfs/dbraw/zinc/24/37/12/608243712.db2.gz RSMNKBURGPZAGZ-KRWDZBQOSA-N -1 1 387.490 2.079 20 0 GEADMM FC(F)Oc1ccc([C@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC000826369621 608259209 /nfs/dbraw/zinc/25/92/09/608259209.db2.gz KMHLCQFAJQMMOR-MRXNPFEDSA-N -1 1 388.378 2.437 20 0 GEADMM Cc1c(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cnn1CC(C)C ZINC000826232659 608315325 /nfs/dbraw/zinc/31/53/25/608315325.db2.gz BVLSPSNEEUKEIX-UHFFFAOYSA-N -1 1 398.471 2.316 20 0 GEADMM CC(C)c1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000824459074 608343296 /nfs/dbraw/zinc/34/32/96/608343296.db2.gz ZMUAAGFQIHCUQU-CYBMUJFWSA-N -1 1 386.481 2.295 20 0 GEADMM CC(C)c1ccc(C[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000824459074 608343299 /nfs/dbraw/zinc/34/32/99/608343299.db2.gz ZMUAAGFQIHCUQU-CYBMUJFWSA-N -1 1 386.481 2.295 20 0 GEADMM Cc1nccn1-c1ncccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826330669 608383556 /nfs/dbraw/zinc/38/35/56/608383556.db2.gz CSTWASGEAFFBFZ-UHFFFAOYSA-N -1 1 384.407 2.311 20 0 GEADMM COc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1OCC(F)(F)F ZINC000826179667 608400176 /nfs/dbraw/zinc/40/01/76/608400176.db2.gz YPDVTHZOPJXWHU-UHFFFAOYSA-N -1 1 381.318 2.219 20 0 GEADMM COc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1OCC(F)(F)F ZINC000826179667 608400177 /nfs/dbraw/zinc/40/01/77/608400177.db2.gz YPDVTHZOPJXWHU-UHFFFAOYSA-N -1 1 381.318 2.219 20 0 GEADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000826306270 608404028 /nfs/dbraw/zinc/40/40/28/608404028.db2.gz UXHGTROLYXKQIC-UHFFFAOYSA-N -1 1 375.440 2.404 20 0 GEADMM Cc1nn(-c2ccccc2C)c(C)c1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000826306270 608404030 /nfs/dbraw/zinc/40/40/30/608404030.db2.gz UXHGTROLYXKQIC-UHFFFAOYSA-N -1 1 375.440 2.404 20 0 GEADMM COc1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc(Br)c1OC ZINC000826179264 608408671 /nfs/dbraw/zinc/40/86/71/608408671.db2.gz HFOPBOLYVOYWRY-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM COc1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc(Br)c1OC ZINC000826179264 608408672 /nfs/dbraw/zinc/40/86/72/608408672.db2.gz HFOPBOLYVOYWRY-UHFFFAOYSA-N -1 1 392.217 2.049 20 0 GEADMM Fc1ccc(-c2noc([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)nn4)C3)n2)cc1 ZINC000826373398 608410601 /nfs/dbraw/zinc/41/06/01/608410601.db2.gz KSOAPKMSTMCGHG-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1ccc(-c2noc([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)nn4)C3)n2)cc1 ZINC000826373398 608410602 /nfs/dbraw/zinc/41/06/02/608410602.db2.gz KSOAPKMSTMCGHG-GFCCVEGCSA-N -1 1 393.386 2.230 20 0 GEADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(Br)c1 ZINC000824426262 608426031 /nfs/dbraw/zinc/42/60/31/608426031.db2.gz CGUJSXQCEVYWIN-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(Br)c1 ZINC000824426262 608426032 /nfs/dbraw/zinc/42/60/32/608426032.db2.gz CGUJSXQCEVYWIN-SECBINFHSA-N -1 1 376.218 2.299 20 0 GEADMM O=c1c2cccc3cccc(c23)c1=N[N-]c1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826501556 608537975 /nfs/dbraw/zinc/53/79/75/608537975.db2.gz VTZYGYSUSZRQTF-UHFFFAOYSA-N -1 1 375.779 2.385 20 0 GEADMM Cc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1Cl ZINC000826299877 608550008 /nfs/dbraw/zinc/55/00/08/608550008.db2.gz ZIXDWLIXZCURJG-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Cc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1Cl ZINC000826299877 608550011 /nfs/dbraw/zinc/55/00/11/608550011.db2.gz ZIXDWLIXZCURJG-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM CC(C)(COc1ccc(C(F)(F)F)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824162438 608551732 /nfs/dbraw/zinc/55/17/32/608551732.db2.gz HVKUZMNDJBOTLW-UHFFFAOYSA-N -1 1 380.334 2.340 20 0 GEADMM CC(C)(COc1ccc(C(F)(F)F)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824162438 608551735 /nfs/dbraw/zinc/55/17/35/608551735.db2.gz HVKUZMNDJBOTLW-UHFFFAOYSA-N -1 1 380.334 2.340 20 0 GEADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000824041203 608554521 /nfs/dbraw/zinc/55/45/21/608554521.db2.gz ZHALJHJNDYWCRH-SNVBAGLBSA-N -1 1 388.863 2.020 20 0 GEADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000824041203 608554522 /nfs/dbraw/zinc/55/45/22/608554522.db2.gz ZHALJHJNDYWCRH-SNVBAGLBSA-N -1 1 388.863 2.020 20 0 GEADMM CCc1ccc([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825704644 608556007 /nfs/dbraw/zinc/55/60/07/608556007.db2.gz LKVQXNYGJJPNOY-CYBMUJFWSA-N -1 1 396.499 2.319 20 0 GEADMM CCc1ccc([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825704644 608556009 /nfs/dbraw/zinc/55/60/09/608556009.db2.gz LKVQXNYGJJPNOY-CYBMUJFWSA-N -1 1 396.499 2.319 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000825933391 608558166 /nfs/dbraw/zinc/55/81/66/608558166.db2.gz CWBNTDJKMHQJOK-UHFFFAOYSA-N -1 1 398.471 2.054 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000825933391 608558168 /nfs/dbraw/zinc/55/81/68/608558168.db2.gz CWBNTDJKMHQJOK-UHFFFAOYSA-N -1 1 398.471 2.054 20 0 GEADMM CC[C@H](C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825076901 608558939 /nfs/dbraw/zinc/55/89/39/608558939.db2.gz YLWKNTXSVRCAPE-LBPRGKRZSA-N -1 1 382.472 2.390 20 0 GEADMM CC[C@H](C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825076901 608558941 /nfs/dbraw/zinc/55/89/41/608558941.db2.gz YLWKNTXSVRCAPE-LBPRGKRZSA-N -1 1 382.472 2.390 20 0 GEADMM COc1ccc(NC(=O)N2CCc3ncsc3C2)cc1[N-]S(C)(=O)=O ZINC000446330613 649977808 /nfs/dbraw/zinc/97/78/08/649977808.db2.gz IKNBHMAKWIGZRR-UHFFFAOYSA-N -1 1 382.467 2.113 20 0 GEADMM Cc1cc(C)cc(C2=CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000826264638 608757486 /nfs/dbraw/zinc/75/74/86/608757486.db2.gz VAOFQIUHFASKKE-UHFFFAOYSA-N -1 1 396.476 2.357 20 0 GEADMM Cc1cc(C)cc(C2=CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000826264638 608757487 /nfs/dbraw/zinc/75/74/87/608757487.db2.gz VAOFQIUHFASKKE-UHFFFAOYSA-N -1 1 396.476 2.357 20 0 GEADMM O[C@@H](C[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000826503264 608837262 /nfs/dbraw/zinc/83/72/62/608837262.db2.gz UMDDAVKZUWZDIX-AAEUAGOBSA-N -1 1 377.495 2.314 20 0 GEADMM Cc1nc(SCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)[n-]c(=O)c1C ZINC000826327790 609182349 /nfs/dbraw/zinc/18/23/49/609182349.db2.gz VFINPBJKZYXLIZ-UHFFFAOYSA-N -1 1 382.409 2.321 20 0 GEADMM C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824936394 609278855 /nfs/dbraw/zinc/27/88/55/609278855.db2.gz GXWWXOMSLYAAOK-TZMCWYRMSA-N -1 1 398.446 2.298 20 0 GEADMM CCCCCCNC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825271132 609278861 /nfs/dbraw/zinc/27/88/61/609278861.db2.gz HQJDXWAIMOHDHT-UHFFFAOYSA-N -1 1 386.435 2.300 20 0 GEADMM C[C@H]1CCCC[C@H]1NC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824936388 609278932 /nfs/dbraw/zinc/27/89/32/609278932.db2.gz GXWWXOMSLYAAOK-GXTWGEPZSA-N -1 1 398.446 2.298 20 0 GEADMM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824869202 609288945 /nfs/dbraw/zinc/28/89/45/609288945.db2.gz ZCUFKTNVOFJORK-CMPLNLGQSA-N -1 1 383.387 2.135 20 0 GEADMM O=C(C=Cc1cncc(F)c1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403012 609289686 /nfs/dbraw/zinc/28/96/86/609289686.db2.gz HRCYVAJRTUKITB-SNAWJCMRSA-N -1 1 394.345 2.378 20 0 GEADMM CC[C@H]1C[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000825184682 609290513 /nfs/dbraw/zinc/29/05/13/609290513.db2.gz YBCFLCKJMLAKSF-NEPJUHHUSA-N -1 1 385.403 2.335 20 0 GEADMM O=C(CSc1ccncc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826421173 609291088 /nfs/dbraw/zinc/29/10/88/609291088.db2.gz VCBZUDHHFQGWJV-UHFFFAOYSA-N -1 1 396.411 2.317 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc21 ZINC000826458357 609291923 /nfs/dbraw/zinc/29/19/23/609291923.db2.gz MRTIBLXBDVTHFQ-CYBMUJFWSA-N -1 1 375.367 2.470 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@]2(C)CCCOC2)c1-c1nn[n-]n1 ZINC000826332243 609295810 /nfs/dbraw/zinc/29/58/10/609295810.db2.gz OGNJMSLLDLBUGU-LJQANCHMSA-N -1 1 382.424 2.221 20 0 GEADMM CCCCN(CC(F)(F)F)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825282158 609297799 /nfs/dbraw/zinc/29/77/99/609297799.db2.gz OVBOGTRTUQPCRF-UHFFFAOYSA-N -1 1 390.391 2.494 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(C)ccc2NC(C)=O)cc1-c1nn[n-]n1 ZINC000826229408 609298432 /nfs/dbraw/zinc/29/84/32/609298432.db2.gz CVENZHXUWGTWAH-UHFFFAOYSA-N -1 1 399.436 2.208 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(F)c(F)cc2F)cc1-c1nn[n-]n1 ZINC000826229581 609300059 /nfs/dbraw/zinc/30/00/59/609300059.db2.gz JNHXLSDOODOTHK-UHFFFAOYSA-N -1 1 382.327 2.359 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000826472371 609301681 /nfs/dbraw/zinc/30/16/81/609301681.db2.gz ISKNLLKBBXPBEC-ZDUSSCGKSA-N -1 1 397.382 2.494 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000826472371 609301682 /nfs/dbraw/zinc/30/16/82/609301682.db2.gz ISKNLLKBBXPBEC-ZDUSSCGKSA-N -1 1 397.382 2.494 20 0 GEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825252464 609302262 /nfs/dbraw/zinc/30/22/62/609302262.db2.gz IGVDMINFMCRARC-OLZOCXBDSA-N -1 1 389.508 2.105 20 0 GEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825252464 609302263 /nfs/dbraw/zinc/30/22/63/609302263.db2.gz IGVDMINFMCRARC-OLZOCXBDSA-N -1 1 389.508 2.105 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)c1cc(F)ccc1[O-] ZINC000826458461 609314349 /nfs/dbraw/zinc/31/43/49/609314349.db2.gz QSKBHJOGPNFCHU-UHFFFAOYSA-N -1 1 383.318 2.289 20 0 GEADMM CCc1nn(C)cc1NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825762626 609359052 /nfs/dbraw/zinc/35/90/52/609359052.db2.gz FKDMGXPFBIRMEF-UHFFFAOYSA-N -1 1 396.390 2.131 20 0 GEADMM C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1F ZINC000824949543 609363105 /nfs/dbraw/zinc/36/31/05/609363105.db2.gz YBTLQYSUUXATQX-ZYHUDNBSSA-N -1 1 388.382 2.403 20 0 GEADMM FC(F)(F)c1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000826368750 609387498 /nfs/dbraw/zinc/38/74/98/609387498.db2.gz ACYZKUKCEZZSAW-ZDUSSCGKSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000826368750 609387500 /nfs/dbraw/zinc/38/75/00/609387500.db2.gz ACYZKUKCEZZSAW-ZDUSSCGKSA-N -1 1 377.330 2.253 20 0 GEADMM O=C1NCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccccc1C(F)(F)F ZINC000826482778 609411096 /nfs/dbraw/zinc/41/10/96/609411096.db2.gz PWDQCLYYBGZBJM-CQSZACIVSA-N -1 1 392.341 2.152 20 0 GEADMM O=C1NCCN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccccc1C(F)(F)F ZINC000826482778 609411097 /nfs/dbraw/zinc/41/10/97/609411097.db2.gz PWDQCLYYBGZBJM-CQSZACIVSA-N -1 1 392.341 2.152 20 0 GEADMM CC1(C)CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000824796905 609412434 /nfs/dbraw/zinc/41/24/34/609412434.db2.gz UMGNJLYWGOICPE-CYBMUJFWSA-N -1 1 385.472 2.207 20 0 GEADMM Cc1onc(CC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c1-c1nnn[n-]1 ZINC000826296887 609468757 /nfs/dbraw/zinc/46/87/57/609468757.db2.gz NLXHQANFAWFZBK-LJQANCHMSA-N -1 1 389.419 2.315 20 0 GEADMM Cc1onc(CC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c1-c1nn[n-]n1 ZINC000826296887 609468761 /nfs/dbraw/zinc/46/87/61/609468761.db2.gz NLXHQANFAWFZBK-LJQANCHMSA-N -1 1 389.419 2.315 20 0 GEADMM CCOc1ccc(C2=CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000825638106 609470403 /nfs/dbraw/zinc/47/04/03/609470403.db2.gz FTAXDEWXFMKYKE-UHFFFAOYSA-N -1 1 394.435 2.420 20 0 GEADMM CCOc1ccc(C2=CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000825638106 609470405 /nfs/dbraw/zinc/47/04/05/609470405.db2.gz FTAXDEWXFMKYKE-UHFFFAOYSA-N -1 1 394.435 2.420 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1-c1nnn[n-]1 ZINC000826293532 609472323 /nfs/dbraw/zinc/47/23/23/609472323.db2.gz SJJCSKBNLJMTFP-LBPRGKRZSA-N -1 1 391.435 2.169 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1-c1nn[n-]n1 ZINC000826293532 609472325 /nfs/dbraw/zinc/47/23/25/609472325.db2.gz SJJCSKBNLJMTFP-LBPRGKRZSA-N -1 1 391.435 2.169 20 0 GEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824908398 609586706 /nfs/dbraw/zinc/58/67/06/609586706.db2.gz OMZNQCOUFHGSTK-DTWKUNHWSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824910715 609586856 /nfs/dbraw/zinc/58/68/56/609586856.db2.gz YGVPACIIESVGJZ-RKDXNWHRSA-N -1 1 393.366 2.357 20 0 GEADMM CNS(=O)(=O)c1csc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000448493513 650016128 /nfs/dbraw/zinc/01/61/28/650016128.db2.gz WWCQJJSJTNXBEN-UHFFFAOYSA-N -1 1 381.410 2.703 20 0 GEADMM CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000451115886 650088233 /nfs/dbraw/zinc/08/82/33/650088233.db2.gz PDRVSEXKUGZCDZ-UHFFFAOYSA-N -1 1 381.475 2.452 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC23CCC3)c(F)c1 ZINC000451273454 650099912 /nfs/dbraw/zinc/09/99/12/650099912.db2.gz WMHCLTNWHQBVGV-UHFFFAOYSA-N -1 1 376.475 2.295 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCSC2)c(F)c1 ZINC000451276965 650100114 /nfs/dbraw/zinc/10/01/14/650100114.db2.gz QUYFPMYQVBGJIZ-LBPRGKRZSA-N -1 1 396.531 2.151 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C)CCC2)c(F)c1 ZINC000451287050 650101162 /nfs/dbraw/zinc/10/11/62/650101162.db2.gz FBAYGVZELIJVHJ-UHFFFAOYSA-N -1 1 378.491 2.446 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCS2)c(F)c1 ZINC000451302992 650102119 /nfs/dbraw/zinc/10/21/19/650102119.db2.gz FXAUTEBRTDSHPV-GFCCVEGCSA-N -1 1 396.531 2.151 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC=C(C)CC2)c(F)c1 ZINC000451341277 650105181 /nfs/dbraw/zinc/10/51/81/650105181.db2.gz MFFZTQJKSRPCEE-UHFFFAOYSA-N -1 1 376.475 2.318 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2sccc2Cl)CCCN1CC(F)(F)F ZINC000451342324 650105439 /nfs/dbraw/zinc/10/54/39/650105439.db2.gz NRAHLJFBVIBKEP-QMMMGPOBSA-N -1 1 376.809 2.233 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC(F)F)c(F)c1 ZINC000451398309 650111014 /nfs/dbraw/zinc/11/10/14/650111014.db2.gz SVYVSDDCMYSDOW-UHFFFAOYSA-N -1 1 388.433 2.253 20 0 GEADMM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451399395 650111056 /nfs/dbraw/zinc/11/10/56/650111056.db2.gz VSFWCZYIJLHSJD-CQSZACIVSA-N -1 1 377.871 2.147 20 0 GEADMM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451450002 650115295 /nfs/dbraw/zinc/11/52/95/650115295.db2.gz CVHZPOCBJXCUKI-LLVKDONJSA-N -1 1 393.914 2.247 20 0 GEADMM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451745860 650138458 /nfs/dbraw/zinc/13/84/58/650138458.db2.gz YFLSQUVNPLIPKI-SECBINFHSA-N -1 1 396.943 2.161 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(CF)CCOCC2)cc1Cl ZINC000451818217 650144778 /nfs/dbraw/zinc/14/47/78/650144778.db2.gz WHYDSPGGGQKYJE-UHFFFAOYSA-N -1 1 396.843 2.482 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]2C(C)C)c(F)c1 ZINC000451914914 650153058 /nfs/dbraw/zinc/15/30/58/650153058.db2.gz ADFSABLMXDZJCX-CQSZACIVSA-N -1 1 378.491 2.396 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](COC)c2ccc(Cl)cc2)co1 ZINC000452756961 650196326 /nfs/dbraw/zinc/19/63/26/650196326.db2.gz PIQWQGHVHCYYMV-CYBMUJFWSA-N -1 1 386.857 2.001 20 0 GEADMM CO[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])C[C@@H]1C ZINC000452878104 650200018 /nfs/dbraw/zinc/20/00/18/650200018.db2.gz MMQYTPSTTLXSNQ-TVQRCGJNSA-N -1 1 375.206 2.494 20 0 GEADMM Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1cncc([O-])c1 ZINC000456728100 650360252 /nfs/dbraw/zinc/36/02/52/650360252.db2.gz RPRQJOJSWSNNKB-GFCCVEGCSA-N -1 1 379.254 2.439 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)ccc1OC ZINC000502411704 650405858 /nfs/dbraw/zinc/40/58/58/650405858.db2.gz YUTYBWGQCHKUDC-UHFFFAOYSA-N -1 1 375.353 2.252 20 0 GEADMM CC(C)n1ncnc1CNC(=O)c1ccc(I)c([O-])c1 ZINC000506446164 650444999 /nfs/dbraw/zinc/44/49/99/650444999.db2.gz VPLRTGUZSWLOKC-UHFFFAOYSA-N -1 1 386.193 2.099 20 0 GEADMM Cc1ncc(CS(=O)(=O)c2nc3cc(Br)c(C)[nH]c-3n2)cn1 ZINC000506942977 650452286 /nfs/dbraw/zinc/45/22/86/650452286.db2.gz FBQQDSUSJLQKBL-UHFFFAOYSA-N -1 1 382.243 2.101 20 0 GEADMM Cc1ncc(CS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)cn1 ZINC000506942977 650452290 /nfs/dbraw/zinc/45/22/90/650452290.db2.gz FBQQDSUSJLQKBL-UHFFFAOYSA-N -1 1 382.243 2.101 20 0 GEADMM CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)F)s1 ZINC000460952694 650448794 /nfs/dbraw/zinc/44/87/94/650448794.db2.gz PZFMROOJGJXYFX-FZMZJTMJSA-N -1 1 376.450 2.221 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000461459297 650454300 /nfs/dbraw/zinc/45/43/00/650454300.db2.gz CCASIJJOYOPUPO-UHFFFAOYSA-N -1 1 378.435 2.004 20 0 GEADMM CC(C)COCCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000507160821 650454765 /nfs/dbraw/zinc/45/47/65/650454765.db2.gz NJZKVJNNMQAQEN-UHFFFAOYSA-N -1 1 397.324 2.451 20 0 GEADMM Cc1c(C(=O)NC(C)(C)c2nn[n-]n2)cnn1-c1ccc(Br)cc1 ZINC000461634149 650457545 /nfs/dbraw/zinc/45/75/45/650457545.db2.gz LPQYABPLPSRLRT-UHFFFAOYSA-N -1 1 390.245 2.121 20 0 GEADMM COc1ccc(CS(C)(=O)=O)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000507561882 650462612 /nfs/dbraw/zinc/46/26/12/650462612.db2.gz CBRULTOTBMKISI-UHFFFAOYSA-N -1 1 383.491 2.224 20 0 GEADMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1F ZINC000507612816 650464931 /nfs/dbraw/zinc/46/49/31/650464931.db2.gz JHURMPXPOYVSGP-UHFFFAOYSA-N -1 1 385.438 2.374 20 0 GEADMM COC(=O)C1(CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)CCC1 ZINC000462099330 650467871 /nfs/dbraw/zinc/46/78/71/650467871.db2.gz DYLVXICCMDEQMD-ZDUSSCGKSA-N -1 1 377.503 2.006 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1-n1cnnn1 ZINC000462103766 650468628 /nfs/dbraw/zinc/46/86/28/650468628.db2.gz ROZBJVZKWOMNRX-UHFFFAOYSA-N -1 1 379.829 2.434 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000509570500 650496415 /nfs/dbraw/zinc/49/64/15/650496415.db2.gz QKUZTMBCEJIDNQ-UHFFFAOYSA-N -1 1 383.476 2.005 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCOC[C@H]1C ZINC000509719276 650499641 /nfs/dbraw/zinc/49/96/41/650499641.db2.gz LPUSVOBKMDBQQV-PELKAZGASA-N -1 1 382.265 2.483 20 0 GEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509860564 650501960 /nfs/dbraw/zinc/50/19/60/650501960.db2.gz BUSFKYWDMUFWFZ-VIFPVBQESA-N -1 1 384.281 2.467 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC000509966731 650504627 /nfs/dbraw/zinc/50/46/27/650504627.db2.gz BVVOZSYYSSODDA-WPRPVWTQSA-N -1 1 382.265 2.219 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000509975306 650505181 /nfs/dbraw/zinc/50/51/81/650505181.db2.gz IJFFIMQMIVKBGA-UHFFFAOYSA-N -1 1 382.265 2.221 20 0 GEADMM CC[C@]([N-]S(=O)(=O)C[C@@H]1CCCO1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510536505 650513586 /nfs/dbraw/zinc/51/35/86/650513586.db2.gz FMSQCULUFKDFFX-GOEBONIOSA-N -1 1 375.874 2.217 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C)o1 ZINC000470602672 650513835 /nfs/dbraw/zinc/51/38/35/650513835.db2.gz QFQLRTPSVSTXEX-ZDUSSCGKSA-N -1 1 375.443 2.101 20 0 GEADMM CC[C@]([N-]S(=O)(=O)c1cn(C)c(C)n1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510561173 650514253 /nfs/dbraw/zinc/51/42/53/650514253.db2.gz UUOFQDHMBXZQOM-MRXNPFEDSA-N -1 1 385.873 2.139 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1C ZINC000475809956 650540040 /nfs/dbraw/zinc/54/00/40/650540040.db2.gz LUJXXRLFCOVVNA-UHFFFAOYSA-N -1 1 386.520 2.426 20 0 GEADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000476914468 650563194 /nfs/dbraw/zinc/56/31/94/650563194.db2.gz PZTPKLUMDXHXMG-UHFFFAOYSA-N -1 1 377.447 2.281 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000477971041 650580595 /nfs/dbraw/zinc/58/05/95/650580595.db2.gz BFINFLGWVKYPFK-RKDXNWHRSA-N -1 1 396.266 2.013 20 0 GEADMM C[C@H](CN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1nn[n-]n1 ZINC000478101305 650582931 /nfs/dbraw/zinc/58/29/31/650582931.db2.gz BHNILLXHNJFMJI-MRVPVSSYSA-N -1 1 391.229 2.092 20 0 GEADMM C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)C[C@]1(C)C(=O)[O-] ZINC000516481894 650597249 /nfs/dbraw/zinc/59/72/49/650597249.db2.gz UPSYNFSNIVTZFI-ABAIWWIYSA-N -1 1 390.299 2.265 20 0 GEADMM COC[C@@](C)([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)C(F)(F)F ZINC000479144757 650597358 /nfs/dbraw/zinc/59/73/58/650597358.db2.gz YCNAZYIOLJDRMK-CYBMUJFWSA-N -1 1 381.351 2.257 20 0 GEADMM COC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(F)(F)F ZINC000479157254 650597735 /nfs/dbraw/zinc/59/77/35/650597735.db2.gz MUIXOMFNUWBUGB-GFCCVEGCSA-N -1 1 389.779 2.357 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(Br)cc1Cl ZINC000516514536 650597782 /nfs/dbraw/zinc/59/77/82/650597782.db2.gz XRTIGIYIIJLTHM-UHFFFAOYSA-N -1 1 380.651 2.460 20 0 GEADMM CCC(CC)(CO)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000518208212 650602842 /nfs/dbraw/zinc/60/28/42/650602842.db2.gz UTKGZAFPPVEMMZ-UHFFFAOYSA-N -1 1 397.324 2.187 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC/C=C/c2ccccc2)c(F)c1 ZINC000479946364 650613246 /nfs/dbraw/zinc/61/32/46/650613246.db2.gz DTJNEZQXZARKNS-VMPITWQZSA-N -1 1 384.454 2.189 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)oc1C ZINC000480217462 650617867 /nfs/dbraw/zinc/61/78/67/650617867.db2.gz BDNQOLMAIHUANC-UHFFFAOYSA-N -1 1 391.199 2.039 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc(Cl)c1F ZINC000480234342 650618295 /nfs/dbraw/zinc/61/82/95/650618295.db2.gz RKNJCVXBVPPPNF-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2(C)CC2)c(OC)c1 ZINC000480436430 650621840 /nfs/dbraw/zinc/62/18/40/650621840.db2.gz IIROSQDAHLEGKW-UHFFFAOYSA-N -1 1 390.527 2.315 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)o1 ZINC000482747582 650667860 /nfs/dbraw/zinc/66/78/60/650667860.db2.gz DYEWSTVKMKFPIB-BONVTDFDSA-N -1 1 386.857 2.347 20 0 GEADMM CN(Cc1ccc(F)cc1Br)C(=O)CNC(=O)c1ncccc1[O-] ZINC000482799195 650668869 /nfs/dbraw/zinc/66/88/69/650668869.db2.gz HRESTRKQYMWWTJ-UHFFFAOYSA-N -1 1 396.216 2.077 20 0 GEADMM CCN(CC)C(=O)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000484460581 650687359 /nfs/dbraw/zinc/68/73/59/650687359.db2.gz SONFRCSXMYXTBH-UHFFFAOYSA-N -1 1 384.274 2.374 20 0 GEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1NS(C)(=O)=O ZINC000484081182 650684901 /nfs/dbraw/zinc/68/49/01/650684901.db2.gz RNMNHRYTIUVMLW-UHFFFAOYSA-N -1 1 388.442 2.144 20 0 GEADMM O=C([O-])[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Br)cc1 ZINC000485203669 650694166 /nfs/dbraw/zinc/69/41/66/650694166.db2.gz DTIYSTKAJRBXSD-CYBMUJFWSA-N -1 1 375.182 2.276 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1 ZINC000486571760 650716181 /nfs/dbraw/zinc/71/61/81/650716181.db2.gz CSVUJFWASREFDS-UHFFFAOYSA-N -1 1 383.426 2.296 20 0 GEADMM COc1csc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c1 ZINC000530612918 650727909 /nfs/dbraw/zinc/72/79/09/650727909.db2.gz OVTDIAFYFBHNIY-UHFFFAOYSA-N -1 1 382.463 2.499 20 0 GEADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000487261265 650731822 /nfs/dbraw/zinc/73/18/22/650731822.db2.gz RKWTZEVQVDPIMW-SNVBAGLBSA-N -1 1 382.203 2.074 20 0 GEADMM CCC(Nc1ccc(SC)cc1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000010515461 642360927 /nfs/dbraw/zinc/36/09/27/642360927.db2.gz XQAULVXZGLFSQR-YPKPFQOOSA-N -1 1 379.507 2.374 20 0 GEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N1CCOCC1 ZINC000016642711 642390835 /nfs/dbraw/zinc/39/08/35/642390835.db2.gz KBAFQQPKVAQUOO-CYBMUJFWSA-N -1 1 395.308 2.155 20 0 GEADMM CNC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000022571837 642408945 /nfs/dbraw/zinc/40/89/45/642408945.db2.gz IUGCCRMJXXGUHM-UHFFFAOYSA-N -1 1 382.825 2.044 20 0 GEADMM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488646884 650750108 /nfs/dbraw/zinc/75/01/08/650750108.db2.gz QEQVZEDFQBKHPT-UHFFFAOYSA-N -1 1 399.257 2.310 20 0 GEADMM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000025472846 642423458 /nfs/dbraw/zinc/42/34/58/642423458.db2.gz GRXYANJFHBOHKU-UHFFFAOYSA-N -1 1 386.470 2.494 20 0 GEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)c1 ZINC000532611824 650750965 /nfs/dbraw/zinc/75/09/65/650750965.db2.gz NFTUPFGVCODWME-UHFFFAOYSA-N -1 1 381.475 2.277 20 0 GEADMM CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000028259227 642448489 /nfs/dbraw/zinc/44/84/89/642448489.db2.gz LMMFMIYCNCKYGB-UHFFFAOYSA-N -1 1 382.825 2.128 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)c1Cl ZINC000028329104 642449640 /nfs/dbraw/zinc/44/96/40/642449640.db2.gz JCCHYVDUPVVTRE-UHFFFAOYSA-N -1 1 382.873 2.291 20 0 GEADMM CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066426 642524976 /nfs/dbraw/zinc/52/49/76/642524976.db2.gz PVXQXDVTLHFQST-QMMMGPOBSA-N -1 1 398.710 2.081 20 0 GEADMM COc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1[N-]S(C)(=O)=O ZINC000044259660 642572761 /nfs/dbraw/zinc/57/27/61/642572761.db2.gz VUISFBDSVGIYCV-UHFFFAOYSA-N -1 1 388.442 2.315 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCC3CC3)cc2)c1 ZINC000046071534 642603440 /nfs/dbraw/zinc/60/34/40/642603440.db2.gz KLTOHTYXYRBEAE-UHFFFAOYSA-N -1 1 380.491 2.484 20 0 GEADMM O=C(COC(=O)CCOc1ccc(Cl)cc1)N[N-]C(=O)c1cccs1 ZINC000046563526 642614441 /nfs/dbraw/zinc/61/44/41/642614441.db2.gz LWNJSFLGKVMOOH-UHFFFAOYSA-N -1 1 382.825 2.175 20 0 GEADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000047251276 642624977 /nfs/dbraw/zinc/62/49/77/642624977.db2.gz RCQVEAMLYBNLSA-UHFFFAOYSA-N -1 1 383.495 2.400 20 0 GEADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000534400199 650773851 /nfs/dbraw/zinc/77/38/51/650773851.db2.gz MRZIARYYHXGEKR-UHFFFAOYSA-N -1 1 378.834 2.068 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)co1 ZINC000534418908 650774837 /nfs/dbraw/zinc/77/48/37/650774837.db2.gz GWQXGCJKQODTDP-CHWSQXEVSA-N -1 1 399.266 2.236 20 0 GEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000534687106 650779748 /nfs/dbraw/zinc/77/97/48/650779748.db2.gz SWEWNQGGMFIZNE-UHFFFAOYSA-N -1 1 385.463 2.217 20 0 GEADMM CNC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)ccc1Cl ZINC000055648425 642777729 /nfs/dbraw/zinc/77/77/29/642777729.db2.gz AXYLACPSBZTJTA-UHFFFAOYSA-N -1 1 382.825 2.287 20 0 GEADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000535497383 650788044 /nfs/dbraw/zinc/78/80/44/650788044.db2.gz GAEBHSLMHXMFRX-UHFFFAOYSA-N -1 1 376.887 2.192 20 0 GEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(S(N)(=O)=O)c1 ZINC000055678644 642779497 /nfs/dbraw/zinc/77/94/97/642779497.db2.gz OZHXZOMFYCMNIN-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM O=S(=O)([N-]c1cc(N2CCCS2(=O)=O)ccc1F)c1ccccc1F ZINC000055688208 642781147 /nfs/dbraw/zinc/78/11/47/642781147.db2.gz YPZMUSODNXTVSI-UHFFFAOYSA-N -1 1 388.417 2.306 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2cccc(Cl)c2Cl)o1 ZINC000055732840 642781734 /nfs/dbraw/zinc/78/17/34/642781734.db2.gz SBMPSODAFBPCGE-UHFFFAOYSA-N -1 1 393.248 2.303 20 0 GEADMM COc1cc(Br)c([N-]S(=O)(=O)c2cnn(C)c2)cc1OC ZINC000057121617 642806064 /nfs/dbraw/zinc/80/60/64/642806064.db2.gz BAHRIECFVCWMHG-UHFFFAOYSA-N -1 1 376.232 2.001 20 0 GEADMM Cn1cccc1C(=O)N[N-]C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000057921102 642820896 /nfs/dbraw/zinc/82/08/96/642820896.db2.gz GUIAEMIPBYGKEV-UHFFFAOYSA-N -1 1 388.225 2.253 20 0 GEADMM O=C(COc1ccccc1F)NNC(=O)c1cc(Br)ccc1[O-] ZINC000060792080 642838528 /nfs/dbraw/zinc/83/85/28/642838528.db2.gz IGWUPPWRYFILFU-UHFFFAOYSA-N -1 1 383.173 2.134 20 0 GEADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000536109338 650797011 /nfs/dbraw/zinc/79/70/11/650797011.db2.gz UKHABZSNGUSSOJ-UHFFFAOYSA-N -1 1 376.799 2.113 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)cc1C ZINC000062930540 642851522 /nfs/dbraw/zinc/85/15/22/642851522.db2.gz JGWCYMJKORMLEW-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1F ZINC000063176887 642854098 /nfs/dbraw/zinc/85/40/98/642854098.db2.gz APGOZTHGIXBKSE-UHFFFAOYSA-N -1 1 377.390 2.178 20 0 GEADMM Cn1c(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[n-]c1=S ZINC000066626018 642928267 /nfs/dbraw/zinc/92/82/67/642928267.db2.gz UQSMDZVDDFDWFZ-UHFFFAOYSA-N -1 1 376.423 2.439 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)co1 ZINC000536223115 650798733 /nfs/dbraw/zinc/79/87/33/650798733.db2.gz ZTNMDXBFXRBFDN-UHFFFAOYSA-N -1 1 379.419 2.269 20 0 GEADMM CCn1c(CCNC(=O)c2[nH]nc(C3CC3)c2Br)n[n-]c1=S ZINC000067077372 642962793 /nfs/dbraw/zinc/96/27/93/642962793.db2.gz SKPSKBYNUZMEFE-UHFFFAOYSA-N -1 1 385.291 2.296 20 0 GEADMM C[C@@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000098078223 643101926 /nfs/dbraw/zinc/10/19/26/643101926.db2.gz JVJJLKYZVPMIFR-SNVBAGLBSA-N -1 1 386.832 2.391 20 0 GEADMM Cc1cc([C@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c(C)o1 ZINC000102932778 643147569 /nfs/dbraw/zinc/14/75/69/643147569.db2.gz PNKSRRMBESOMPJ-JTQLQIEISA-N -1 1 390.458 2.447 20 0 GEADMM Cc1cccc(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000102932842 643147651 /nfs/dbraw/zinc/14/76/51/643147651.db2.gz BEQZONUKXOIXCK-UHFFFAOYSA-N -1 1 386.470 2.027 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc2n[nH]cc2cc1C ZINC000105388342 643204730 /nfs/dbraw/zinc/20/47/30/643204730.db2.gz DWTZYBBGXYFIMM-UHFFFAOYSA-N -1 1 379.463 2.384 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000107350376 643254398 /nfs/dbraw/zinc/25/43/98/643254398.db2.gz IBAQBKDXIMJWJN-BDAKNGLRSA-N -1 1 375.237 2.257 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)[n-]1 ZINC000107350376 643254403 /nfs/dbraw/zinc/25/44/03/643254403.db2.gz IBAQBKDXIMJWJN-BDAKNGLRSA-N -1 1 375.237 2.257 20 0 GEADMM O=C(CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)NCc1cccs1 ZINC000108592719 643277386 /nfs/dbraw/zinc/27/73/86/643277386.db2.gz FLUOFEVLCARLLJ-UHFFFAOYSA-N -1 1 382.511 2.079 20 0 GEADMM CC(C)(NC(=O)c1cc(Br)cc(Br)c1)c1nn[n-]n1 ZINC000538020825 650827912 /nfs/dbraw/zinc/82/79/12/650827912.db2.gz ILAFTMJHYOHTMF-UHFFFAOYSA-N -1 1 389.051 2.390 20 0 GEADMM O=C(NCc1cccnc1N1CCOCC1)c1ccc(Br)cc1[O-] ZINC000109365127 643294302 /nfs/dbraw/zinc/29/43/02/643294302.db2.gz DMOVWVITMMINHA-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM CC(C)(C)[S@](=O)CCNC(=O)c1cc(I)ccc1[O-] ZINC000112394136 643361169 /nfs/dbraw/zinc/36/11/69/643361169.db2.gz ANWAWPVVDZXWQF-IBGZPJMESA-N -1 1 395.262 2.274 20 0 GEADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000538298595 650834199 /nfs/dbraw/zinc/83/41/99/650834199.db2.gz KNRXBYBYYIJKST-UHFFFAOYSA-N -1 1 377.447 2.048 20 0 GEADMM Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000538423698 650836534 /nfs/dbraw/zinc/83/65/34/650836534.db2.gz IYDOGESPIJOWQH-UHFFFAOYSA-N -1 1 389.227 2.264 20 0 GEADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)Cc1ccccc1F ZINC000539555804 650844512 /nfs/dbraw/zinc/84/45/12/650844512.db2.gz KVDJJJSLBCYPTE-OAHLLOKOSA-N -1 1 375.462 2.382 20 0 GEADMM COc1cccc(N2CCC[C@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)c1 ZINC000117367557 643489481 /nfs/dbraw/zinc/48/94/81/643489481.db2.gz OUGYDURJNZEDJU-LBPRGKRZSA-N -1 1 384.889 2.029 20 0 GEADMM Cc1nc(CNC(=O)Cc2sc(N)nc2[O-])oc1-c1ccc(Cl)cc1 ZINC000121373255 643632194 /nfs/dbraw/zinc/63/21/94/643632194.db2.gz OHFHOOLNPWUFER-NSHDSACASA-N -1 1 378.841 2.266 20 0 GEADMM O=C(CCCNC(=O)c1cccnc1)Nc1nc(Br)ccc1[O-] ZINC000121477336 643633681 /nfs/dbraw/zinc/63/36/81/643633681.db2.gz DTTCYNROGPBJSZ-UHFFFAOYSA-N -1 1 379.214 2.093 20 0 GEADMM CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])s1 ZINC000539988515 650855959 /nfs/dbraw/zinc/85/59/59/650855959.db2.gz NHRPWPSEYMKQKX-UHFFFAOYSA-N -1 1 380.447 2.349 20 0 GEADMM CC(C)c1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)n[nH]1 ZINC000126157404 643722912 /nfs/dbraw/zinc/72/29/12/643722912.db2.gz CLDBEBQGDNBGMT-UHFFFAOYSA-N -1 1 377.875 2.391 20 0 GEADMM Cn1[n-]c(CN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)nc1=O ZINC000541577938 650878048 /nfs/dbraw/zinc/87/80/48/650878048.db2.gz BDAFEFGZIRFMQG-ZDUSSCGKSA-N -1 1 384.267 2.408 20 0 GEADMM Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000155265763 644068446 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GEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1Cl ZINC000161595537 644214177 /nfs/dbraw/zinc/21/41/77/644214177.db2.gz XFMBQOKIJXYMOZ-SNVBAGLBSA-N -1 1 383.779 2.104 20 0 GEADMM Cc1cc(C[C@H](C)NC(=O)c2cc(I)ccc2[O-])[nH]n1 ZINC000161747961 644218403 /nfs/dbraw/zinc/21/84/03/644218403.db2.gz CELJFXVFUOTZRM-QMMMGPOBSA-N -1 1 385.205 2.389 20 0 GEADMM O=S(=O)([N-]C1CCN(CC(F)(F)F)CC1)c1cc(F)c(F)cc1F ZINC000170940321 644297167 /nfs/dbraw/zinc/29/71/67/644297167.db2.gz XFBOVLJFVLEMAY-UHFFFAOYSA-N -1 1 376.322 2.409 20 0 GEADMM CCn1cc(Br)c(=O)c([N-]S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000543648750 650917053 /nfs/dbraw/zinc/91/70/53/650917053.db2.gz NGVWVGBEECRMAB-SNVBAGLBSA-N -1 1 378.292 2.019 20 0 GEADMM C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000544828926 650954765 /nfs/dbraw/zinc/95/47/65/650954765.db2.gz DOLRSFOVTKSNQF-GXSJLCMTSA-N -1 1 375.206 2.230 20 0 GEADMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000544858931 650956350 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CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(Br)s2)n1 ZINC000912362475 654751272 /nfs/dbraw/zinc/75/12/72/654751272.db2.gz GKCMAAWYSGKANM-SSDOTTSWSA-N -1 1 387.259 2.225 20 0 GEADMM CSCC[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1nn[n-]n1 ZINC000912860622 654771787 /nfs/dbraw/zinc/77/17/87/654771787.db2.gz RVYGOAHOEKMCGK-ZETCQYMHSA-N -1 1 383.528 2.161 20 0 GEADMM CSCC[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1nn[n-]n1 ZINC000912861585 654771923 /nfs/dbraw/zinc/77/19/23/654771923.db2.gz QMIPCBXWAKBOGQ-NSHDSACASA-N -1 1 375.376 2.365 20 0 GEADMM CC[C@@H](Cc1ccccc1Br)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496416 654796166 /nfs/dbraw/zinc/79/61/66/654796166.db2.gz ZOEWBRYRTWUYND-SMDDNHRTSA-N -1 1 394.273 2.131 20 0 GEADMM Cc1cc(Br)cc2cc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)oc21 ZINC000913496146 654796192 /nfs/dbraw/zinc/79/61/92/654796192.db2.gz TZQXGIHPASIFLS-NSHDSACASA-N -1 1 392.213 2.231 20 0 GEADMM Cc1cc(Br)c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1Cl ZINC000913499577 654796427 /nfs/dbraw/zinc/79/64/27/654796427.db2.gz WIKVUYYKZLEDDS-LLVKDONJSA-N -1 1 386.637 2.138 20 0 GEADMM O=C(c1sc2ccccc2c1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913499720 654796574 /nfs/dbraw/zinc/79/65/74/654796574.db2.gz YSOGBWKASRUDDQ-VIFPVBQESA-N -1 1 394.254 2.391 20 0 GEADMM O=C(c1[nH]c2ccccc2c1Br)N1CCC(c2nn[n-]n2)CC1 ZINC000913743143 654807179 /nfs/dbraw/zinc/80/71/79/654807179.db2.gz HTUKVLUKHOXYGE-UHFFFAOYSA-N -1 1 375.230 2.463 20 0 GEADMM O=C(CCc1cc(Br)ccc1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913744562 654807234 /nfs/dbraw/zinc/80/72/34/654807234.db2.gz UGCZUZDMEOQHJS-UHFFFAOYSA-N -1 1 382.237 2.440 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CC[C@@H]1CCCO1 ZINC000913884541 654813667 /nfs/dbraw/zinc/81/36/67/654813667.db2.gz VRMJGCZJGPSDHW-BSNNYGBQSA-N -1 1 386.417 2.437 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2c[nH]nc2C)c1F ZINC000913974118 654819790 /nfs/dbraw/zinc/81/97/90/654819790.db2.gz PSMJLIZZQQUQGE-UHFFFAOYSA-N -1 1 378.223 2.107 20 0 GEADMM O=S(=O)(Cc1cccc(Cl)c1Br)[N-]C[C@@H](O)C(F)(F)F ZINC000914142105 654829491 /nfs/dbraw/zinc/82/94/91/654829491.db2.gz ZCMIJHYHRKLLNU-MRVPVSSYSA-N -1 1 396.612 2.445 20 0 GEADMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914161453 654830811 /nfs/dbraw/zinc/83/08/11/654830811.db2.gz YTIHRMXWJVJZPG-WPRPVWTQSA-N -1 1 384.267 2.282 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)C[C@H](C)O ZINC000914171271 654831652 /nfs/dbraw/zinc/83/16/52/654831652.db2.gz GZVBDCHMEHWPGU-JQLIAFOBSA-N -1 1 388.433 2.275 20 0 GEADMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914181758 654833119 /nfs/dbraw/zinc/83/31/19/654833119.db2.gz XBOHQCDGRAAIKN-SECBINFHSA-N -1 1 384.267 2.426 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCCO2)c1F ZINC000914238593 654837777 /nfs/dbraw/zinc/83/77/77/654837777.db2.gz WTEMHYZQBOUWPX-ZDUSSCGKSA-N -1 1 382.251 2.444 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]CCCCCCO ZINC000914332327 654846261 /nfs/dbraw/zinc/84/62/61/654846261.db2.gz PYDVPUGOFQAYQA-QHCPKHFHSA-N -1 1 388.433 2.420 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cn(C)nc2C)c1F ZINC000914353463 654847718 /nfs/dbraw/zinc/84/77/18/654847718.db2.gz UHCBLJFMTJRURG-UHFFFAOYSA-N -1 1 392.250 2.117 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C)c1F ZINC000914358247 654848106 /nfs/dbraw/zinc/84/81/06/654848106.db2.gz FJNAQOQZANANDL-SDBXPKJASA-N -1 1 382.251 2.443 20 0 GEADMM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914388586 654850127 /nfs/dbraw/zinc/85/01/27/654850127.db2.gz YGJKEBKOTHOSPA-TYRPZCRBSA-N -1 1 382.251 2.202 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC2CC(O)C2)c1F ZINC000915004402 654860511 /nfs/dbraw/zinc/86/05/11/654860511.db2.gz VLSJDNBNBLWVOP-UHFFFAOYSA-N -1 1 382.251 2.036 20 0 GEADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2Br)C(=O)O1 ZINC000915657712 654875976 /nfs/dbraw/zinc/87/59/76/654875976.db2.gz WRMIRXJAGFRAOI-OIBJUYFYSA-N -1 1 382.663 2.226 20 0 GEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2Br)C(=O)O1 ZINC000915657713 654876007 /nfs/dbraw/zinc/87/60/07/654876007.db2.gz WRMIRXJAGFRAOI-XCBNKYQSSA-N -1 1 382.663 2.226 20 0 GEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000915876564 654881419 /nfs/dbraw/zinc/88/14/19/654881419.db2.gz XYPSGGXBTORNPK-NWDGAFQWSA-N -1 1 388.511 2.456 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2C)cc1OC ZINC000014867746 531565150 /nfs/dbraw/zinc/56/51/50/531565150.db2.gz GAMLKBQTMZRLFW-UHFFFAOYSA-N -1 1 385.463 2.217 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1S(N)(=O)=O ZINC000016097759 531570914 /nfs/dbraw/zinc/57/09/14/531570914.db2.gz JFYKGXDNBKYAEE-UHFFFAOYSA-N -1 1 384.479 2.267 20 0 GEADMM CCc1nc(S(=O)(=O)Cc2nnc(-c3ccccc3Br)o2)n[n-]1 ZINC000153140364 531592541 /nfs/dbraw/zinc/59/25/41/531592541.db2.gz CFGAESMERULUJP-UHFFFAOYSA-N -1 1 398.242 2.154 20 0 GEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)ccc1Cl ZINC000032085055 531647507 /nfs/dbraw/zinc/64/75/07/531647507.db2.gz DTZBPRZDGJEBCA-UHFFFAOYSA-N -1 1 382.825 2.335 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccc(Cl)c(F)c1 ZINC000155087680 531655584 /nfs/dbraw/zinc/65/55/84/531655584.db2.gz UGUKZBPUJBEIDH-CQSZACIVSA-N -1 1 389.836 2.449 20 0 GEADMM COCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1ccc([O-])c(Cl)c1 ZINC000155191877 531664758 /nfs/dbraw/zinc/66/47/58/531664758.db2.gz IGWIPHXWNPEHHR-UHFFFAOYSA-N -1 1 381.841 2.356 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1OCC(N)=O ZINC000055606207 531795442 /nfs/dbraw/zinc/79/54/42/531795442.db2.gz FJYPXJJTTONOBA-UHFFFAOYSA-N -1 1 384.841 2.322 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2csc(Br)c2)o1 ZINC000057311288 531819438 /nfs/dbraw/zinc/81/94/38/531819438.db2.gz HRBOXTLTEBZTDW-UHFFFAOYSA-N -1 1 393.284 2.284 20 0 GEADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000060738626 531847604 /nfs/dbraw/zinc/84/76/04/531847604.db2.gz KTCAHKRJMHNLRN-UHFFFAOYSA-N -1 1 396.277 2.410 20 0 GEADMM COc1cccc(CS(=O)(=O)c2nc3nc(C)c(Br)cc3[n-]2)n1 ZINC000163495856 531859472 /nfs/dbraw/zinc/85/94/72/531859472.db2.gz NSGCXNRCGKKRBD-UHFFFAOYSA-N -1 1 397.254 2.406 20 0 GEADMM COc1cccc(CS(=O)(=O)c2nc3cc(Br)c(C)[n-]c-3n2)n1 ZINC000163495856 531859480 /nfs/dbraw/zinc/85/94/80/531859480.db2.gz NSGCXNRCGKKRBD-UHFFFAOYSA-N -1 1 397.254 2.406 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1Cl ZINC000067404328 531885154 /nfs/dbraw/zinc/88/51/54/531885154.db2.gz TXGPMMHOKPVVQD-OAHLLOKOSA-N -1 1 392.909 2.045 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3c2cccc3Br)o1 ZINC000068192433 531901378 /nfs/dbraw/zinc/90/13/78/531901378.db2.gz IVMLPHBYEXEOHR-GFCCVEGCSA-N -1 1 399.266 2.368 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C ZINC000097588819 531938053 /nfs/dbraw/zinc/93/80/53/531938053.db2.gz DDJTYJURWKVQHO-LLVKDONJSA-N -1 1 382.251 2.454 20 0 GEADMM O=C(c1c[nH]c2cccc(Br)c12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000119509788 531971423 /nfs/dbraw/zinc/97/14/23/531971423.db2.gz KPRDYPZRMJVFBJ-VIFPVBQESA-N -1 1 375.230 2.463 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CCCN1CC(F)(F)F ZINC000120951834 532003310 /nfs/dbraw/zinc/00/33/10/532003310.db2.gz RZZMHMKQJPFCFD-LLVKDONJSA-N -1 1 376.356 2.264 20 0 GEADMM CS(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000122492003 532073268 /nfs/dbraw/zinc/07/32/68/532073268.db2.gz MHJVIPCRUHFOGN-AWEZNQCLSA-N -1 1 393.408 2.168 20 0 GEADMM O=S(=O)([N-]C[C@H]1CN2CCCC[C@@H]2CO1)c1sccc1Br ZINC000122474090 532072165 /nfs/dbraw/zinc/07/21/65/532072165.db2.gz GCDOVCAAOMQOBC-MNOVXSKESA-N -1 1 395.344 2.042 20 0 GEADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000125442535 532136428 /nfs/dbraw/zinc/13/64/28/532136428.db2.gz VQJPYYCSRDQUOM-ZETCQYMHSA-N -1 1 380.323 2.011 20 0 GEADMM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1cc(Br)c(F)cc1F ZINC000176749813 532148586 /nfs/dbraw/zinc/14/85/86/532148586.db2.gz HJUIGFDVDPMPLS-SNVBAGLBSA-N -1 1 393.213 2.132 20 0 GEADMM O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCCc1nc(=O)[n-][nH]1 ZINC000176758781 532148636 /nfs/dbraw/zinc/14/86/36/532148636.db2.gz GHFQSWBHXNHQFC-UHFFFAOYSA-N -1 1 379.631 2.186 20 0 GEADMM CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000127654762 532156287 /nfs/dbraw/zinc/15/62/87/532156287.db2.gz FTRAOBMDCCGQCQ-AWEZNQCLSA-N -1 1 378.491 2.444 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000129730575 532182897 /nfs/dbraw/zinc/18/28/97/532182897.db2.gz QMOXEVVSOOZFQP-SNVBAGLBSA-N -1 1 380.861 2.002 20 0 GEADMM O=C(NCc1ccc(Br)cc1N1CCOCC1)c1cncc([O-])c1 ZINC000178737700 532212360 /nfs/dbraw/zinc/21/23/60/532212360.db2.gz YPISWVLZQPNVSR-UHFFFAOYSA-N -1 1 392.253 2.316 20 0 GEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)C[C@H](O)c2cccs2)c(=O)[n-]1 ZINC000132556091 532217620 /nfs/dbraw/zinc/21/76/20/532217620.db2.gz AYBDJZIVXJBHFA-GWCFXTLKSA-N -1 1 381.523 2.423 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)co1 ZINC000179379804 532229095 /nfs/dbraw/zinc/22/90/95/532229095.db2.gz GPSQIXHSCVTRFX-SNVBAGLBSA-N -1 1 379.463 2.158 20 0 GEADMM O=C(c1ccc(Br)c([O-])c1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000179448421 532231562 /nfs/dbraw/zinc/23/15/62/532231562.db2.gz RAZLJPPGEIORJT-UHFFFAOYSA-N -1 1 390.237 2.148 20 0 GEADMM NS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)co1 ZINC000133380175 532233841 /nfs/dbraw/zinc/23/38/41/532233841.db2.gz GQYJKIXUBGZJNM-UHFFFAOYSA-N -1 1 384.826 2.351 20 0 GEADMM Cc1c(Br)cccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000179541628 532235011 /nfs/dbraw/zinc/23/50/11/532235011.db2.gz XZXSSDJGJBUVRJ-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM Cc1nc([C@@H]([N-]S(=O)(=O)C[C@H]2CCOC2)c2ccc(Cl)c(F)c2)no1 ZINC000132758032 532220937 /nfs/dbraw/zinc/22/09/37/532220937.db2.gz GNLJJWTXHLUQQX-HZMBPMFUSA-N -1 1 389.836 2.216 20 0 GEADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000132886753 532223044 /nfs/dbraw/zinc/22/30/44/532223044.db2.gz CRYQSKRYIHLTNO-VIFPVBQESA-N -1 1 399.266 2.293 20 0 GEADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000179765371 532242955 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O=S(=O)([N-]CC(F)(F)c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 ZINC000285611007 532695198 /nfs/dbraw/zinc/69/51/98/532695198.db2.gz MQHSCRWGTGBMPS-UHFFFAOYSA-N -1 1 396.843 2.105 20 0 GEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)OC(C)(C)C ZINC000535907742 532688558 /nfs/dbraw/zinc/68/85/58/532688558.db2.gz TUHQYSKKQZVRRY-GWCFXTLKSA-N -1 1 375.443 2.101 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)co1 ZINC000535913727 532688670 /nfs/dbraw/zinc/68/86/70/532688670.db2.gz GXPPSLUDTFACEK-UHFFFAOYSA-N -1 1 399.226 2.079 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(F)c2)co1 ZINC000535913377 532689153 /nfs/dbraw/zinc/68/91/53/532689153.db2.gz IUQGFCJJUJWRSI-UHFFFAOYSA-N -1 1 377.191 2.342 20 0 GEADMM COc1ccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000641974947 532704314 /nfs/dbraw/zinc/70/43/14/532704314.db2.gz WEDFWHSRPVOKTF-UHFFFAOYSA-N -1 1 390.248 2.314 20 0 GEADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000387218718 532704931 /nfs/dbraw/zinc/70/49/31/532704931.db2.gz FWONPANOLWTKFH-NSHDSACASA-N -1 1 398.204 2.103 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000608032602 532709162 /nfs/dbraw/zinc/70/91/62/532709162.db2.gz RLYWFTANBSXLHJ-UKRRQHHQSA-N -1 1 390.502 2.444 20 0 GEADMM CS(=O)(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000573792482 532712266 /nfs/dbraw/zinc/71/22/66/532712266.db2.gz CEZCIADABWKIOQ-CHWSQXEVSA-N -1 1 375.443 2.206 20 0 GEADMM CCOC(=O)C1CCC([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)CC1 ZINC000608858234 532715401 /nfs/dbraw/zinc/71/54/01/532715401.db2.gz REEUYVHYJNNVPW-UHFFFAOYSA-N -1 1 377.409 2.374 20 0 GEADMM Cc1csc([C@](O)(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)C(F)(F)F)n1 ZINC000299408279 532715708 /nfs/dbraw/zinc/71/57/08/532715708.db2.gz ALZCEFUUUXIERT-SECBINFHSA-N -1 1 389.281 2.367 20 0 GEADMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2nccn2C(F)F)c1 ZINC000285874087 532715799 /nfs/dbraw/zinc/71/57/99/532715799.db2.gz FEFXNKWSPHJBOM-UHFFFAOYSA-N -1 1 377.344 2.073 20 0 GEADMM COc1cc(F)c(S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000671645242 532722803 /nfs/dbraw/zinc/72/28/03/532722803.db2.gz SHYHWUGGQDMWID-SSDOTTSWSA-N -1 1 391.314 2.295 20 0 GEADMM CC(C)n1cnnc1SCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000539153355 532725171 /nfs/dbraw/zinc/72/51/71/532725171.db2.gz TXKFQVVQOXDWCK-UHFFFAOYSA-N -1 1 387.462 2.100 20 0 GEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(OCCS(C)(=O)=O)c1 ZINC000299574537 532727446 /nfs/dbraw/zinc/72/74/46/532727446.db2.gz IDMSTMRDGMPQDF-UHFFFAOYSA-N -1 1 387.454 2.358 20 0 GEADMM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000443281276 532744782 /nfs/dbraw/zinc/74/47/82/532744782.db2.gz ZTQHALAJOHNVKF-TZMCWYRMSA-N -1 1 375.874 2.482 20 0 GEADMM Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(Br)c1 ZINC000540804245 532745734 /nfs/dbraw/zinc/74/57/34/532745734.db2.gz ZJIRCJIJUTXRBA-UHFFFAOYSA-N -1 1 385.239 2.363 20 0 GEADMM O=S(=O)([N-][C@H](Cc1ccccc1)[C@H](O)C(F)F)c1cccc(F)c1F ZINC000443214887 532741517 /nfs/dbraw/zinc/74/15/17/532741517.db2.gz WLPOEWXNWOJCCY-DOMZBBRYSA-N -1 1 377.359 2.480 20 0 GEADMM COc1ccc(OC)c(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000446949362 532756429 /nfs/dbraw/zinc/75/64/29/532756429.db2.gz HCVAZJYKNVONFZ-CYBMUJFWSA-N -1 1 379.360 2.019 20 0 GEADMM CN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCC1=O ZINC000619062857 532759434 /nfs/dbraw/zinc/75/94/34/532759434.db2.gz BPZNRGUUTJPGPH-UHFFFAOYSA-N -1 1 378.226 2.007 20 0 GEADMM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc(I)ccc1[O-] ZINC000311393448 532777198 /nfs/dbraw/zinc/77/71/98/532777198.db2.gz DTKPDOOFLQMCJV-MWLCHTKSSA-N -1 1 375.206 2.278 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c(Br)n1C ZINC000287002098 532778502 /nfs/dbraw/zinc/77/85/02/532778502.db2.gz UDCVIIBFRWQCNI-RYUDHWBXSA-N -1 1 388.262 2.465 20 0 GEADMM CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000509396467 532768819 /nfs/dbraw/zinc/76/88/19/532768819.db2.gz KLSJHIVAPOWURW-UHFFFAOYSA-N -1 1 388.442 2.118 20 0 GEADMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000286792452 532769365 /nfs/dbraw/zinc/76/93/65/532769365.db2.gz GYWFCBFZKFTPFQ-NXEZZACHSA-N -1 1 382.349 2.444 20 0 GEADMM COc1cccc(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000286790925 532769465 /nfs/dbraw/zinc/76/94/65/532769465.db2.gz XXTVXMOOOBICNZ-UHFFFAOYSA-N -1 1 388.287 2.021 20 0 GEADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1 ZINC000269000779 532774332 /nfs/dbraw/zinc/77/43/32/532774332.db2.gz YASJMJSZOPCKKZ-UHFFFAOYSA-N -1 1 385.463 2.049 20 0 GEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000547571066 532787066 /nfs/dbraw/zinc/78/70/66/532787066.db2.gz WANKUIAIQAAWAH-CQSZACIVSA-N -1 1 395.308 2.352 20 0 GEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)c1 ZINC000326660883 532790421 /nfs/dbraw/zinc/79/04/21/532790421.db2.gz HFHNSDHRAJRRHI-UHFFFAOYSA-N -1 1 386.426 2.201 20 0 GEADMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000326790408 532790983 /nfs/dbraw/zinc/79/09/83/532790983.db2.gz XBTDDXREOSUULH-UHFFFAOYSA-N -1 1 384.772 2.473 20 0 GEADMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000328751121 532796974 /nfs/dbraw/zinc/79/69/74/532796974.db2.gz MYAKNUBXQXFKLJ-UFGOTCBOSA-N -1 1 379.404 2.065 20 0 GEADMM C[C@@H](Cn1cncn1)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000554965235 532807101 /nfs/dbraw/zinc/80/71/01/532807101.db2.gz GGWNMNQASBSDKN-VIFPVBQESA-N -1 1 376.214 2.113 20 0 GEADMM O=S(=O)([N-]C[C@H](O)COc1ccc(F)c(F)c1)c1cc(Cl)ccc1F ZINC000551143936 532799678 /nfs/dbraw/zinc/79/96/78/532799678.db2.gz PHWQGJPKHWHUJP-JTQLQIEISA-N -1 1 395.786 2.476 20 0 GEADMM O=C(N[C@H](CO)[C@@H]1CCCOC1)c1c([O-])cnc2c(Br)cccc21 ZINC000413958099 532816377 /nfs/dbraw/zinc/81/63/77/532816377.db2.gz QKWGMMLKNZJECC-ZWNOBZJWSA-N -1 1 395.253 2.220 20 0 GEADMM CCOc1cc(C(=O)NCC2(CS(C)(=O)=O)CCC2)cc(Cl)c1[O-] ZINC000414005544 532816731 /nfs/dbraw/zinc/81/67/31/532816731.db2.gz AITNFVRDDRUVKP-UHFFFAOYSA-N -1 1 375.874 2.389 20 0 GEADMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)c1 ZINC000414368561 532823091 /nfs/dbraw/zinc/82/30/91/532823091.db2.gz HLIFOUXODHCLNZ-UHFFFAOYSA-N -1 1 392.815 2.480 20 0 GEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)c(Cl)c1 ZINC000414444691 532827686 /nfs/dbraw/zinc/82/76/86/532827686.db2.gz QJYABEUWGHKUFT-UHFFFAOYSA-N -1 1 392.815 2.480 20 0 GEADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)[C@@]12CCCO2 ZINC000273604697 532827721 /nfs/dbraw/zinc/82/77/21/532827721.db2.gz MOBVHGZVXWKBPA-GYSYKLTISA-N -1 1 381.281 2.393 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2Br)o1 ZINC000414471920 532830360 /nfs/dbraw/zinc/83/03/60/532830360.db2.gz QJNVUEZEEPIFJA-UHFFFAOYSA-N -1 1 378.204 2.051 20 0 GEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2=CCN(C)CC2)c(F)c1Cl ZINC000273706673 532832263 /nfs/dbraw/zinc/83/22/63/532832263.db2.gz DQVWSFRNUYZNLE-UHFFFAOYSA-N -1 1 393.843 2.117 20 0 GEADMM COC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)c1ccc(C)o1 ZINC000273700632 532831338 /nfs/dbraw/zinc/83/13/38/532831338.db2.gz NMBHCVQGZCEALE-NSHDSACASA-N -1 1 375.349 2.230 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Br)OCCO2)C(F)(F)F ZINC000288636076 532833735 /nfs/dbraw/zinc/83/37/35/532833735.db2.gz ONRZABXOTSGOSM-ZCFIWIBFSA-N -1 1 390.177 2.449 20 0 GEADMM C[S@@](=O)Cc1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000273840045 532835625 /nfs/dbraw/zinc/83/56/25/532835625.db2.gz HWUKKHPNGTYKDV-RUZDIDTESA-N -1 1 379.316 2.432 20 0 GEADMM O=c1nc([C@@H]2CCCCN2Cc2nnc(-c3ccc(Br)o3)o2)[nH][n-]1 ZINC000289270918 532851830 /nfs/dbraw/zinc/85/18/30/532851830.db2.gz FBRNQLSBSIPOPV-QMMMGPOBSA-N -1 1 395.217 2.231 20 0 GEADMM COCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)OC ZINC000289823198 532865693 /nfs/dbraw/zinc/86/56/93/532865693.db2.gz JIFCWMCYSABVHS-JTQLQIEISA-N -1 1 389.779 2.215 20 0 GEADMM CC[C@H](Cc1ccccc1Br)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416192466 532866451 /nfs/dbraw/zinc/86/64/51/532866451.db2.gz OODKQFAPWZZNNE-SNVBAGLBSA-N -1 1 396.241 2.410 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1cccs1)C(C)(C)CO ZINC000289871007 532866694 /nfs/dbraw/zinc/86/66/94/532866694.db2.gz NRYBRZUMROQLPW-LBPRGKRZSA-N -1 1 377.919 2.482 20 0 GEADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000289895250 532867321 /nfs/dbraw/zinc/86/73/21/532867321.db2.gz PHJKEJVCZDJDSS-ZDUSSCGKSA-N -1 1 383.388 2.007 20 0 GEADMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)OCO3)[C@@H]1O ZINC000333864277 532873882 /nfs/dbraw/zinc/87/38/82/532873882.db2.gz AOVMMABSTXFQBT-HIFRSBDPSA-N -1 1 383.447 2.028 20 0 GEADMM NC(=O)C[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290258675 532876455 /nfs/dbraw/zinc/87/64/55/532876455.db2.gz CJGABQXEPPQBLV-JTQLQIEISA-N -1 1 392.253 2.431 20 0 GEADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)o1 ZINC000416408112 532876576 /nfs/dbraw/zinc/87/65/76/532876576.db2.gz NYNDTHYUUCEEOW-NSHDSACASA-N -1 1 377.413 2.488 20 0 GEADMM O=C(CCNC(=O)OCC(F)(F)F)Nc1nc(Br)ccc1[O-] ZINC000275874336 532885188 /nfs/dbraw/zinc/88/51/88/532885188.db2.gz NPKVUIRPFJYHFY-UHFFFAOYSA-N -1 1 386.124 2.167 20 0 GEADMM CN(CC1(O)CCOCC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000290611522 532885470 /nfs/dbraw/zinc/88/54/70/532885470.db2.gz BLTYXAWKQTZTKP-UHFFFAOYSA-N -1 1 395.253 2.316 20 0 GEADMM CC(=O)Nc1ccc([O-])c(-c2nc(Cn3cc(Br)cn3)no2)c1 ZINC000350566557 532886307 /nfs/dbraw/zinc/88/63/07/532886307.db2.gz JYNNGBJKKHFJGM-UHFFFAOYSA-N -1 1 378.186 2.408 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cccc(COCC(F)(F)F)c1 ZINC000290721047 532887697 /nfs/dbraw/zinc/88/76/97/532887697.db2.gz KJFWMSIJGGWCFH-UHFFFAOYSA-N -1 1 379.360 2.123 20 0 GEADMM CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000290768146 532888560 /nfs/dbraw/zinc/88/85/60/532888560.db2.gz PMHHPFNZINFFIA-XYPYZODXSA-N -1 1 395.308 2.034 20 0 GEADMM COc1cc(OC)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(OC)c1 ZINC000290954017 532893556 /nfs/dbraw/zinc/89/35/56/532893556.db2.gz NLAIOYOPUMIHHC-UHFFFAOYSA-N -1 1 381.332 2.255 20 0 GEADMM COC(=O)Cc1cc(Br)ccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000291003283 532894756 /nfs/dbraw/zinc/89/47/56/532894756.db2.gz VITOOQSWHWMXHV-UHFFFAOYSA-N -1 1 390.177 2.005 20 0 GEADMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000290914071 532892716 /nfs/dbraw/zinc/89/27/16/532892716.db2.gz HGUYCVVYNREZON-UHFFFAOYSA-N -1 1 397.400 2.413 20 0 GEADMM Cc1ccc(OCCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(Br)c1 ZINC000362101066 532895117 /nfs/dbraw/zinc/89/51/17/532895117.db2.gz AEDGKEINANHCFM-GFCCVEGCSA-N -1 1 394.273 2.446 20 0 GEADMM C[C@@H](O)C[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000291123577 532896417 /nfs/dbraw/zinc/89/64/17/532896417.db2.gz UQSFMDIMBDBZPX-GHMZBOCLSA-N -1 1 395.308 2.034 20 0 GEADMM CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1=O ZINC000276533205 532897526 /nfs/dbraw/zinc/89/75/26/532897526.db2.gz JHHVYBNJWMCIEM-UHFFFAOYSA-N -1 1 390.870 2.236 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2csc(NC3CC3)n2)C1)C(F)(F)F ZINC000291161342 532897557 /nfs/dbraw/zinc/89/75/57/532897557.db2.gz QTTXCEUPYFKNMZ-SECBINFHSA-N -1 1 376.404 2.248 20 0 GEADMM CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000291256973 532899116 /nfs/dbraw/zinc/89/91/16/532899116.db2.gz KKPCFCQDPKVWMI-SECBINFHSA-N -1 1 390.234 2.028 20 0 GEADMM CCc1c([N-]S(=O)(=O)CCOCCOC)cnn1-c1ccc(Cl)cc1 ZINC000276889636 532903248 /nfs/dbraw/zinc/90/32/48/532903248.db2.gz MPRGNQKSOHNMOG-UHFFFAOYSA-N -1 1 387.889 2.493 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000292135728 532913686 /nfs/dbraw/zinc/91/36/86/532913686.db2.gz SYGMSSVIXBSYRR-GXFFZTMASA-N -1 1 378.778 2.291 20 0 GEADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000292135729 532913702 /nfs/dbraw/zinc/91/37/02/532913702.db2.gz SYGMSSVIXBSYRR-MFKMUULPSA-N -1 1 378.778 2.291 20 0 GEADMM O=C(N1CCC[C@H](c2nn[n-]n2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000366642992 532919715 /nfs/dbraw/zinc/91/97/15/532919715.db2.gz PMPKDIDMRZZCJX-NSHDSACASA-N -1 1 376.258 2.400 20 0 GEADMM Cc1ccc(I)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000366730949 532920772 /nfs/dbraw/zinc/92/07/72/532920772.db2.gz IIIDPRXSJZPNLE-JTQLQIEISA-N -1 1 397.220 2.133 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)Oc1cccc(F)c1 ZINC000293404263 532926305 /nfs/dbraw/zinc/92/63/05/532926305.db2.gz HTOXATAEFDSWNA-SECBINFHSA-N -1 1 381.351 2.324 20 0 GEADMM CC(C)C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)OC(C)C ZINC000293489072 532927892 /nfs/dbraw/zinc/92/78/92/532927892.db2.gz MVXIEYZAJDUSHT-JTQLQIEISA-N -1 1 385.408 2.084 20 0 GEADMM O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1nc2ncncc2[n-]1 ZINC000369534059 532939917 /nfs/dbraw/zinc/93/99/17/532939917.db2.gz XSXOOQGREFQOOH-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1nc2cncnc2[n-]1 ZINC000369534059 532939918 /nfs/dbraw/zinc/93/99/18/532939918.db2.gz XSXOOQGREFQOOH-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1nc2c[n-]cnc-2n1 ZINC000369534059 532939919 /nfs/dbraw/zinc/93/99/19/532939919.db2.gz XSXOOQGREFQOOH-UHFFFAOYSA-N -1 1 376.785 2.030 20 0 GEADMM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)C2)cn1 ZINC000370341883 532942918 /nfs/dbraw/zinc/94/29/18/532942918.db2.gz ILLUWRKPNAAJRR-JTQLQIEISA-N -1 1 390.296 2.069 20 0 GEADMM O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370329470 532942987 /nfs/dbraw/zinc/94/29/87/532942987.db2.gz FGTPIBNASBAWMY-SECBINFHSA-N -1 1 376.269 2.491 20 0 GEADMM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370862741 532945798 /nfs/dbraw/zinc/94/57/98/532945798.db2.gz RSWOXKUZODBZLU-SECBINFHSA-N -1 1 396.885 2.181 20 0 GEADMM Cc1cnn(C2CN(C(=O)c3cc(I)ccc3[O-])C2)c1 ZINC000371205633 532947291 /nfs/dbraw/zinc/94/72/91/532947291.db2.gz UBDLMLLZJKPKFK-UHFFFAOYSA-N -1 1 383.189 2.199 20 0 GEADMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccccc1Br ZINC000007883125 221015424 /nfs/dbraw/zinc/01/54/24/221015424.db2.gz HQCXZNZSAAZAJU-LBPRGKRZSA-N -1 1 398.282 2.108 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC1(C(F)(F)F)CC1 ZINC000737201528 598823544 /nfs/dbraw/zinc/82/35/44/598823544.db2.gz UDSGENBXCLYDSF-UHFFFAOYSA-N -1 1 385.346 2.402 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCCCn1cccn1 ZINC000737198681 598842438 /nfs/dbraw/zinc/84/24/38/598842438.db2.gz CGQYSEBBAJZQFI-UHFFFAOYSA-N -1 1 399.455 2.127 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@H]2CCCC[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551107 598848516 /nfs/dbraw/zinc/84/85/16/598848516.db2.gz FTSABOTWGABBLW-GWCFXTLKSA-N -1 1 391.428 2.154 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1c1ccccn1 ZINC000738354646 598874731 /nfs/dbraw/zinc/87/47/31/598874731.db2.gz ILXHWASKYAAVBE-ZDUSSCGKSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1c1ccccn1 ZINC000738354646 598874732 /nfs/dbraw/zinc/87/47/32/598874732.db2.gz ILXHWASKYAAVBE-ZDUSSCGKSA-N -1 1 390.856 2.441 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1ccsc1 ZINC000737549869 598892209 /nfs/dbraw/zinc/89/22/09/598892209.db2.gz ZLWYCBADGVQTIE-LBPRGKRZSA-N -1 1 384.421 2.084 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1ccsc1 ZINC000737549869 598892211 /nfs/dbraw/zinc/89/22/11/598892211.db2.gz ZLWYCBADGVQTIE-LBPRGKRZSA-N -1 1 384.421 2.084 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)ccc1F ZINC000735481127 598929943 /nfs/dbraw/zinc/92/99/43/598929943.db2.gz DZRLNYVMPSUYPO-UHFFFAOYSA-N -1 1 390.400 2.073 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000737300592 598930160 /nfs/dbraw/zinc/93/01/60/598930160.db2.gz CPAIQTAWPNUGKL-UHFFFAOYSA-N -1 1 398.448 2.103 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000737301977 598931783 /nfs/dbraw/zinc/93/17/83/598931783.db2.gz ZKMLMRUNPVPTOU-UHFFFAOYSA-N -1 1 383.393 2.026 20 0 GEADMM O=C(c1ccoc1)N1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738291429 598935596 /nfs/dbraw/zinc/93/55/96/598935596.db2.gz XLEPHWYZNMHJNL-UHFFFAOYSA-N -1 1 390.407 2.120 20 0 GEADMM O=C(c1ccoc1)N1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738291429 598935598 /nfs/dbraw/zinc/93/55/98/598935598.db2.gz XLEPHWYZNMHJNL-UHFFFAOYSA-N -1 1 390.407 2.120 20 0 GEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1OC ZINC000736647225 598946490 /nfs/dbraw/zinc/94/64/90/598946490.db2.gz NFTJWJXMKUZVID-UHFFFAOYSA-N -1 1 389.437 2.383 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)ccc1C ZINC000819810780 607254819 /nfs/dbraw/zinc/25/48/19/607254819.db2.gz PREYLCSTHVOOEZ-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087618 598993408 /nfs/dbraw/zinc/99/34/08/598993408.db2.gz HXSMCBCQUHRQET-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087618 598993409 /nfs/dbraw/zinc/99/34/09/598993409.db2.gz HXSMCBCQUHRQET-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735483911 598996747 /nfs/dbraw/zinc/99/67/47/598996747.db2.gz CLNYBAKZUNMILC-UHFFFAOYSA-N -1 1 391.313 2.491 20 0 GEADMM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735483911 598996749 /nfs/dbraw/zinc/99/67/49/598996749.db2.gz CLNYBAKZUNMILC-UHFFFAOYSA-N -1 1 391.313 2.491 20 0 GEADMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737234942 599000015 /nfs/dbraw/zinc/00/00/15/599000015.db2.gz QAGROIRZNGIZEX-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737234942 599000016 /nfs/dbraw/zinc/00/00/16/599000016.db2.gz QAGROIRZNGIZEX-UHFFFAOYSA-N -1 1 377.408 2.058 20 0 GEADMM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736468451 599005483 /nfs/dbraw/zinc/00/54/83/599005483.db2.gz BNUXTCSKFKLUJR-UHFFFAOYSA-N -1 1 399.842 2.406 20 0 GEADMM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736468451 599005485 /nfs/dbraw/zinc/00/54/85/599005485.db2.gz BNUXTCSKFKLUJR-UHFFFAOYSA-N -1 1 399.842 2.406 20 0 GEADMM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738074422 599006442 /nfs/dbraw/zinc/00/64/42/599006442.db2.gz CJVFUNICRAJMLW-GOSISDBHSA-N -1 1 378.436 2.476 20 0 GEADMM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738074422 599006444 /nfs/dbraw/zinc/00/64/44/599006444.db2.gz CJVFUNICRAJMLW-GOSISDBHSA-N -1 1 378.436 2.476 20 0 GEADMM O=C(Nc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1)c1ccco1 ZINC000738247580 599007973 /nfs/dbraw/zinc/00/79/73/599007973.db2.gz RUFXDHOCUOMVSS-UHFFFAOYSA-N -1 1 376.332 2.326 20 0 GEADMM O=C(Nc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1)c1ccco1 ZINC000738247580 599007975 /nfs/dbraw/zinc/00/79/75/599007975.db2.gz RUFXDHOCUOMVSS-UHFFFAOYSA-N -1 1 376.332 2.326 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000737549697 599015310 /nfs/dbraw/zinc/01/53/10/599015310.db2.gz XLYZHWHSIXYFOP-GOSISDBHSA-N -1 1 398.448 2.258 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000737549697 599015311 /nfs/dbraw/zinc/01/53/11/599015311.db2.gz XLYZHWHSIXYFOP-GOSISDBHSA-N -1 1 398.448 2.258 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735624835 599026016 /nfs/dbraw/zinc/02/60/16/599026016.db2.gz BFPKYJPZUDBDOI-SNVBAGLBSA-N -1 1 379.442 2.485 20 0 GEADMM COc1ccc(CC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737087979 599028277 /nfs/dbraw/zinc/02/82/77/599028277.db2.gz PNHVFRRTRSXUSH-UHFFFAOYSA-N -1 1 378.436 2.365 20 0 GEADMM COc1ccc(CC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737087979 599028279 /nfs/dbraw/zinc/02/82/79/599028279.db2.gz PNHVFRRTRSXUSH-UHFFFAOYSA-N -1 1 378.436 2.365 20 0 GEADMM CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736333496 599030612 /nfs/dbraw/zinc/03/06/12/599030612.db2.gz ACICCZLYWOALOO-UHFFFAOYSA-N -1 1 389.460 2.075 20 0 GEADMM CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736333496 599030614 /nfs/dbraw/zinc/03/06/14/599030614.db2.gz ACICCZLYWOALOO-UHFFFAOYSA-N -1 1 389.460 2.075 20 0 GEADMM CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736827840 599032074 /nfs/dbraw/zinc/03/20/74/599032074.db2.gz CDRKFAPCOUHYFR-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736827840 599032075 /nfs/dbraw/zinc/03/20/75/599032075.db2.gz CDRKFAPCOUHYFR-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(CCCOc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736798078 599033347 /nfs/dbraw/zinc/03/33/47/599033347.db2.gz OGBAAASPWXXZMV-UHFFFAOYSA-N -1 1 391.428 2.095 20 0 GEADMM CN(CCCOc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736798078 599033348 /nfs/dbraw/zinc/03/33/48/599033348.db2.gz OGBAAASPWXXZMV-UHFFFAOYSA-N -1 1 391.428 2.095 20 0 GEADMM COc1cc(F)ccc1N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737052788 599061414 /nfs/dbraw/zinc/06/14/14/599061414.db2.gz AWDAKVYTEJVSBA-UHFFFAOYSA-N -1 1 389.822 2.389 20 0 GEADMM COc1cc(F)ccc1N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737052788 599061417 /nfs/dbraw/zinc/06/14/17/599061417.db2.gz AWDAKVYTEJVSBA-UHFFFAOYSA-N -1 1 389.822 2.389 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000737200493 599093628 /nfs/dbraw/zinc/09/36/28/599093628.db2.gz NDJXCBHUIMEONJ-HRAATJIYSA-N -1 1 392.463 2.363 20 0 GEADMM Cn1ncnc1CSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000822714775 599124454 /nfs/dbraw/zinc/12/44/54/599124454.db2.gz UFLIJJANHGRWKL-UHFFFAOYSA-N -1 1 380.437 2.431 20 0 GEADMM COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000737101137 599138788 /nfs/dbraw/zinc/13/87/88/599138788.db2.gz CMORROKWURAWLQ-MRXNPFEDSA-N -1 1 396.407 2.090 20 0 GEADMM COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000737101137 599138789 /nfs/dbraw/zinc/13/87/89/599138789.db2.gz CMORROKWURAWLQ-MRXNPFEDSA-N -1 1 396.407 2.090 20 0 GEADMM C/C(=C/C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC000819764176 599140918 /nfs/dbraw/zinc/14/09/18/599140918.db2.gz GPLLNVLCTNSFFP-QXMHVHEDSA-N -1 1 385.472 2.373 20 0 GEADMM Cc1cc(F)cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000822203495 599141811 /nfs/dbraw/zinc/14/18/11/599141811.db2.gz WTVGHAUOWPAUAT-UHFFFAOYSA-N -1 1 397.414 2.142 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736158026 599142582 /nfs/dbraw/zinc/14/25/82/599142582.db2.gz ODQGZGMZNRMYRD-RISCZKNCSA-N -1 1 398.448 2.232 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000736158026 599142585 /nfs/dbraw/zinc/14/25/85/599142585.db2.gz ODQGZGMZNRMYRD-RISCZKNCSA-N -1 1 398.448 2.232 20 0 GEADMM Cc1cnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)o1 ZINC000737446721 599167638 /nfs/dbraw/zinc/16/76/38/599167638.db2.gz UAGAMJRUOTVBFQ-UHFFFAOYSA-N -1 1 387.197 2.289 20 0 GEADMM Cc1nc(CN2CCCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)cs1 ZINC000737476130 599169927 /nfs/dbraw/zinc/16/99/27/599169927.db2.gz DAGSLXCMIBNMEZ-UHFFFAOYSA-N -1 1 396.933 2.454 20 0 GEADMM Cc1nc(CN2CCCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)cs1 ZINC000737476130 599169930 /nfs/dbraw/zinc/16/99/30/599169930.db2.gz DAGSLXCMIBNMEZ-UHFFFAOYSA-N -1 1 396.933 2.454 20 0 GEADMM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822236450 599205047 /nfs/dbraw/zinc/20/50/47/599205047.db2.gz ZUHMFVISVBMNCO-SFHVURJKSA-N -1 1 392.463 2.434 20 0 GEADMM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822236450 599205049 /nfs/dbraw/zinc/20/50/49/599205049.db2.gz ZUHMFVISVBMNCO-SFHVURJKSA-N -1 1 392.463 2.434 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS[C@@H](C(C)C)C1 ZINC000822004583 599212263 /nfs/dbraw/zinc/21/22/63/599212263.db2.gz IZHGRKGPZDUOEQ-CQSZACIVSA-N -1 1 390.513 2.117 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1C(C)C ZINC000737488378 599227462 /nfs/dbraw/zinc/22/74/62/599227462.db2.gz UEASPJNICQXYMY-KRWDZBQOSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1C(C)C ZINC000737488378 599227465 /nfs/dbraw/zinc/22/74/65/599227465.db2.gz UEASPJNICQXYMY-KRWDZBQOSA-N -1 1 396.499 2.496 20 0 GEADMM CN(CCC(=O)[O-])CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000262666297 597003330 /nfs/dbraw/zinc/00/33/30/597003330.db2.gz PONTZUAYULYXKL-UHFFFAOYSA-N -1 1 390.461 2.459 20 0 GEADMM COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818603273 597070868 /nfs/dbraw/zinc/07/08/68/597070868.db2.gz ASBGKGZMWCISIF-OCCSQVGLSA-N -1 1 377.441 2.167 20 0 GEADMM O=C([O-])c1ccc(CNC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000738678904 597302485 /nfs/dbraw/zinc/30/24/85/597302485.db2.gz SCBKQFXCXNWAIE-UHFFFAOYSA-N -1 1 375.469 2.029 20 0 GEADMM O=C(c1ccccc1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000738278948 599256176 /nfs/dbraw/zinc/25/61/76/599256176.db2.gz QEKVDZCPQHHQQW-UHFFFAOYSA-N -1 1 385.431 2.377 20 0 GEADMM O=C(c1ccccc1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000738278948 599256178 /nfs/dbraw/zinc/25/61/78/599256178.db2.gz QEKVDZCPQHHQQW-UHFFFAOYSA-N -1 1 385.431 2.377 20 0 GEADMM Cc1ccc(C(=O)N2CCOCC2)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822226311 607317715 /nfs/dbraw/zinc/31/77/15/607317715.db2.gz LXYSUZODTRGTKN-UHFFFAOYSA-N -1 1 384.465 2.321 20 0 GEADMM CC[C@@](C)(NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(F)(F)F ZINC000736316457 599281231 /nfs/dbraw/zinc/28/12/31/599281231.db2.gz XJTBVLWUNDRURY-OAHLLOKOSA-N -1 1 386.378 2.364 20 0 GEADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2C)o1 ZINC000822213849 607328824 /nfs/dbraw/zinc/32/88/24/607328824.db2.gz CZEHNNPCXYWQLX-UHFFFAOYSA-N -1 1 385.409 2.267 20 0 GEADMM CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000422545415 598172749 /nfs/dbraw/zinc/17/27/49/598172749.db2.gz WXYLBSIHPFCXTB-GOSISDBHSA-N -1 1 383.448 2.305 20 0 GEADMM CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])N(C)C)cc1 ZINC000422545423 598172770 /nfs/dbraw/zinc/17/27/70/598172770.db2.gz WXYLBSIHPFCXTB-SFHVURJKSA-N -1 1 383.448 2.305 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000821414966 598172874 /nfs/dbraw/zinc/17/28/74/598172874.db2.gz CPZWMNPXNCEPBJ-GOSISDBHSA-N -1 1 381.432 2.277 20 0 GEADMM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821474833 598173438 /nfs/dbraw/zinc/17/34/38/598173438.db2.gz NICPFPWZQZDEDL-MRXNPFEDSA-N -1 1 381.432 2.104 20 0 GEADMM CC(C)[C@@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000820041701 598189704 /nfs/dbraw/zinc/18/97/04/598189704.db2.gz NDUULMYLYVFQHP-HNAYVOBHSA-N -1 1 376.453 2.210 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000635523839 598191007 /nfs/dbraw/zinc/19/10/07/598191007.db2.gz BZTFLLIDNKCCRT-UHFFFAOYSA-N -1 1 375.469 2.029 20 0 GEADMM COc1cccc([C@@H]2[C@@H](NC(=O)N3CCC(C(=O)[O-])CC3)CCN2C2CC2)c1 ZINC000820865750 598216011 /nfs/dbraw/zinc/21/60/11/598216011.db2.gz WFFFRBZASKLCDV-RBUKOAKNSA-N -1 1 387.480 2.479 20 0 GEADMM C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736195361 598261580 /nfs/dbraw/zinc/26/15/80/598261580.db2.gz GMGXBTSOFQFNCO-LLVKDONJSA-N -1 1 384.421 2.390 20 0 GEADMM C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736195361 598261582 /nfs/dbraw/zinc/26/15/82/598261582.db2.gz GMGXBTSOFQFNCO-LLVKDONJSA-N -1 1 384.421 2.390 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000736368498 598265476 /nfs/dbraw/zinc/26/54/76/598265476.db2.gz GOIKJJRZLNLBGH-CYBMUJFWSA-N -1 1 378.845 2.345 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000736368498 598265477 /nfs/dbraw/zinc/26/54/77/598265477.db2.gz GOIKJJRZLNLBGH-CYBMUJFWSA-N -1 1 378.845 2.345 20 0 GEADMM C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736200982 598267311 /nfs/dbraw/zinc/26/73/11/598267311.db2.gz FURDZTYOKIMZFV-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736200982 598267313 /nfs/dbraw/zinc/26/73/13/598267313.db2.gz FURDZTYOKIMZFV-SNVBAGLBSA-N -1 1 378.845 2.297 20 0 GEADMM Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737208535 598268709 /nfs/dbraw/zinc/26/87/09/598268709.db2.gz DBPKLBIVJQFOBG-NSHDSACASA-N -1 1 384.421 2.356 20 0 GEADMM Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737208535 598268710 /nfs/dbraw/zinc/26/87/10/598268710.db2.gz DBPKLBIVJQFOBG-NSHDSACASA-N -1 1 384.421 2.356 20 0 GEADMM CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736813454 598270712 /nfs/dbraw/zinc/27/07/12/598270712.db2.gz BVIFCSLZJCBQAA-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736813454 598270714 /nfs/dbraw/zinc/27/07/14/598270714.db2.gz BVIFCSLZJCBQAA-UHFFFAOYSA-N -1 1 399.263 2.389 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1CC1CCCCC1 ZINC000738356055 598271499 /nfs/dbraw/zinc/27/14/99/598271499.db2.gz WFQHNPYOCCUHTL-CQSZACIVSA-N -1 1 376.486 2.385 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1CC1CCCCC1 ZINC000738356055 598271501 /nfs/dbraw/zinc/27/15/01/598271501.db2.gz WFQHNPYOCCUHTL-CQSZACIVSA-N -1 1 376.486 2.385 20 0 GEADMM CC(C)COC[C@H](NCc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccco1 ZINC000735838743 598274553 /nfs/dbraw/zinc/27/45/53/598274553.db2.gz UOUZZLJGEAKEIF-HNNXBMFYSA-N -1 1 382.428 2.006 20 0 GEADMM CC(C)COC[C@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccco1 ZINC000735838743 598274554 /nfs/dbraw/zinc/27/45/54/598274554.db2.gz UOUZZLJGEAKEIF-HNNXBMFYSA-N -1 1 382.428 2.006 20 0 GEADMM CCOc1cccc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000736653899 598389718 /nfs/dbraw/zinc/38/97/18/598389718.db2.gz FBDRLCOEFGOBMK-UHFFFAOYSA-N -1 1 392.876 2.097 20 0 GEADMM CCOc1cccc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000736653899 598389719 /nfs/dbraw/zinc/38/97/19/598389719.db2.gz FBDRLCOEFGOBMK-UHFFFAOYSA-N -1 1 392.876 2.097 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000738353739 598429141 /nfs/dbraw/zinc/42/91/41/598429141.db2.gz GEYLHTPACOGBPC-NSHDSACASA-N -1 1 391.403 2.323 20 0 GEADMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2C1 ZINC000736481940 598451819 /nfs/dbraw/zinc/45/18/19/598451819.db2.gz SQEQZEFCBPXQGP-UHFFFAOYSA-N -1 1 384.465 2.393 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000736636824 598467535 /nfs/dbraw/zinc/46/75/35/598467535.db2.gz SSUBJNYNKDQCKW-VHRBIJSZSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1nccnc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000736636824 598467537 /nfs/dbraw/zinc/46/75/37/598467537.db2.gz SSUBJNYNKDQCKW-VHRBIJSZSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000736637878 598502273 /nfs/dbraw/zinc/50/22/73/598502273.db2.gz SPVXFKHUNARTSP-UHFFFAOYSA-N -1 1 375.388 2.463 20 0 GEADMM Cc1ccc(N2CCC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)nn1 ZINC000737350082 598544857 /nfs/dbraw/zinc/54/48/57/598544857.db2.gz DHXTZNNGIZGNGX-VIFPVBQESA-N -1 1 377.865 2.156 20 0 GEADMM Cc1ccc(N2CCC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)nn1 ZINC000737350082 598544858 /nfs/dbraw/zinc/54/48/58/598544858.db2.gz DHXTZNNGIZGNGX-VIFPVBQESA-N -1 1 377.865 2.156 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000823294504 607359097 /nfs/dbraw/zinc/35/90/97/607359097.db2.gz DGZSSHKTTDNGDJ-UHFFFAOYSA-N -1 1 390.359 2.415 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344741 598616519 /nfs/dbraw/zinc/61/65/19/598616519.db2.gz ZRDKSPFIBZUWGA-WBVHZDCISA-N -1 1 398.492 2.342 20 0 GEADMM O=S(=O)(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344741 598616521 /nfs/dbraw/zinc/61/65/21/598616521.db2.gz ZRDKSPFIBZUWGA-WBVHZDCISA-N -1 1 398.492 2.342 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCC2(CCO)CCC2)c1-c1nn[n-]n1 ZINC000821989216 607361052 /nfs/dbraw/zinc/36/10/52/607361052.db2.gz IMEXXSOYOVPCMD-UHFFFAOYSA-N -1 1 388.497 2.144 20 0 GEADMM CCc1nn(Cc2ccccc2OC(F)F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705977 598643222 /nfs/dbraw/zinc/64/32/22/598643222.db2.gz DWTQJZVBQFPDDN-UHFFFAOYSA-N -1 1 376.367 2.198 20 0 GEADMM COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737141961 598687346 /nfs/dbraw/zinc/68/73/46/598687346.db2.gz LDLORMVZUHZTNS-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737076376 598688160 /nfs/dbraw/zinc/68/81/60/598688160.db2.gz QQUFKSDBDANEFO-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1c(F)cccc1F ZINC000737982864 598720067 /nfs/dbraw/zinc/72/00/67/598720067.db2.gz SMQRPIGOZXLNLW-UHFFFAOYSA-N -1 1 382.330 2.099 20 0 GEADMM C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1cccs1 ZINC000736111215 598720794 /nfs/dbraw/zinc/72/07/94/598720794.db2.gz MEXCKQOXKNQZFO-LLVKDONJSA-N -1 1 380.433 2.121 20 0 GEADMM CCc1nc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cs1 ZINC000736701056 598721816 /nfs/dbraw/zinc/72/18/16/598721816.db2.gz YBJWLKOIYFWXTG-ZETCQYMHSA-N -1 1 391.482 2.199 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000738353817 598768597 /nfs/dbraw/zinc/76/85/97/598768597.db2.gz HJNYUEGFUKPUDX-GOSISDBHSA-N -1 1 396.476 2.492 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000738353817 598768598 /nfs/dbraw/zinc/76/85/98/598768598.db2.gz HJNYUEGFUKPUDX-GOSISDBHSA-N -1 1 396.476 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1ccccc1C ZINC000737420637 598780069 /nfs/dbraw/zinc/78/00/69/598780069.db2.gz KTBQIWXBUKUQSK-HNNXBMFYSA-N -1 1 392.419 2.331 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1ccccc1C ZINC000737420637 598780070 /nfs/dbraw/zinc/78/00/70/598780070.db2.gz KTBQIWXBUKUQSK-HNNXBMFYSA-N -1 1 392.419 2.331 20 0 GEADMM CSc1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)o1 ZINC000737193850 598781477 /nfs/dbraw/zinc/78/14/77/598781477.db2.gz XHFGSSZJESHKLE-UHFFFAOYSA-N -1 1 377.382 2.187 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(Cl)nc1 ZINC000737487331 598790613 /nfs/dbraw/zinc/79/06/13/598790613.db2.gz HSZPVBAYCITOAY-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(Cl)nc1 ZINC000737487331 598790614 /nfs/dbraw/zinc/79/06/14/598790614.db2.gz HSZPVBAYCITOAY-UHFFFAOYSA-N -1 1 397.830 2.146 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738352916 598797686 /nfs/dbraw/zinc/79/76/86/598797686.db2.gz CCCDDTYGUDBNBW-HNNXBMFYSA-N -1 1 392.391 2.066 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000738352916 598797687 /nfs/dbraw/zinc/79/76/87/598797687.db2.gz CCCDDTYGUDBNBW-HNNXBMFYSA-N -1 1 392.391 2.066 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1c1cccnc1 ZINC000823601214 599336709 /nfs/dbraw/zinc/33/67/09/599336709.db2.gz WLKQGJMRQSKEJY-CQSZACIVSA-N -1 1 390.856 2.441 20 0 GEADMM CN(CCCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821600536 599338165 /nfs/dbraw/zinc/33/81/65/599338165.db2.gz RHRZWPKNGYUQMQ-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM CN(CCCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821600536 599338166 /nfs/dbraw/zinc/33/81/66/599338166.db2.gz RHRZWPKNGYUQMQ-UHFFFAOYSA-N -1 1 375.429 2.259 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@H](c2ccco2)C1 ZINC000823600996 599343586 /nfs/dbraw/zinc/34/35/86/599343586.db2.gz NTTZYHLGIBIRQY-SNVBAGLBSA-N -1 1 379.829 2.291 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2sccc2C1 ZINC000823606757 599344243 /nfs/dbraw/zinc/34/42/43/599344243.db2.gz LLHGAKQHCCBYGJ-UHFFFAOYSA-N -1 1 379.442 2.204 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2sccc2C1 ZINC000823606757 599344246 /nfs/dbraw/zinc/34/42/46/599344246.db2.gz LLHGAKQHCCBYGJ-UHFFFAOYSA-N -1 1 379.442 2.204 20 0 GEADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)[nH]n1 ZINC000735647791 599361581 /nfs/dbraw/zinc/36/15/81/599361581.db2.gz CLMWIBNOPGTCDC-UHFFFAOYSA-N -1 1 381.849 2.342 20 0 GEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820666492 599362372 /nfs/dbraw/zinc/36/23/72/599362372.db2.gz IFQUBIUFDLPQQS-BDJLRTHQSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820666492 599362376 /nfs/dbraw/zinc/36/23/76/599362376.db2.gz IFQUBIUFDLPQQS-BDJLRTHQSA-N -1 1 388.428 2.173 20 0 GEADMM CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1 ZINC000820045983 599372995 /nfs/dbraw/zinc/37/29/95/599372995.db2.gz PKOKHPCBXSFUDA-NSHDSACASA-N -1 1 387.918 2.282 20 0 GEADMM CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1 ZINC000820045983 599372997 /nfs/dbraw/zinc/37/29/97/599372997.db2.gz PKOKHPCBXSFUDA-NSHDSACASA-N -1 1 387.918 2.282 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)C[C@H](C)O1 ZINC000736292602 599418485 /nfs/dbraw/zinc/41/84/85/599418485.db2.gz PIQJGNAEAAVFTI-KBPBESRZSA-N -1 1 393.451 2.123 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2)C[C@H](C)O1 ZINC000736292602 599418488 /nfs/dbraw/zinc/41/84/88/599418488.db2.gz PIQJGNAEAAVFTI-KBPBESRZSA-N -1 1 393.451 2.123 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)Cc2cccs2)cc1-c1nn[n-]n1 ZINC000821979758 599450568 /nfs/dbraw/zinc/45/05/68/599450568.db2.gz WGJWKYNEDQQVGS-VIFPVBQESA-N -1 1 390.494 2.359 20 0 GEADMM CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820634366 599492015 /nfs/dbraw/zinc/49/20/15/599492015.db2.gz GTLBCQPNWUWJMY-AWEZNQCLSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820634366 599492016 /nfs/dbraw/zinc/49/20/16/599492016.db2.gz GTLBCQPNWUWJMY-AWEZNQCLSA-N -1 1 399.411 2.030 20 0 GEADMM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C ZINC000820643150 599492110 /nfs/dbraw/zinc/49/21/10/599492110.db2.gz QVMIAHBXJFBSCL-MRXNPFEDSA-N -1 1 394.391 2.173 20 0 GEADMM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C ZINC000820643150 599492111 /nfs/dbraw/zinc/49/21/11/599492111.db2.gz QVMIAHBXJFBSCL-MRXNPFEDSA-N -1 1 394.391 2.173 20 0 GEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000823792051 599543928 /nfs/dbraw/zinc/54/39/28/599543928.db2.gz NUCBRXYYYXDQAC-ZDUSSCGKSA-N -1 1 387.451 2.337 20 0 GEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000823792051 599543929 /nfs/dbraw/zinc/54/39/29/599543929.db2.gz NUCBRXYYYXDQAC-ZDUSSCGKSA-N -1 1 387.451 2.337 20 0 GEADMM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736279120 599593336 /nfs/dbraw/zinc/59/33/36/599593336.db2.gz VKKIAWQBAYLEFH-VIFPVBQESA-N -1 1 375.376 2.306 20 0 GEADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736397373 599604078 /nfs/dbraw/zinc/60/40/78/599604078.db2.gz SKICLFAAZBGPFD-ZDUSSCGKSA-N -1 1 385.453 2.308 20 0 GEADMM CC[C@H]1C[C@@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820967209 599656014 /nfs/dbraw/zinc/65/60/14/599656014.db2.gz LNMCAINCENEHLF-RISCZKNCSA-N -1 1 382.472 2.106 20 0 GEADMM CC[C@H]1C[C@@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820967209 599656015 /nfs/dbraw/zinc/65/60/15/599656015.db2.gz LNMCAINCENEHLF-RISCZKNCSA-N -1 1 382.472 2.106 20 0 GEADMM O=C(OCc1nc(CCc2ccccc2)no1)c1sccc1-c1nn[n-]n1 ZINC000823440504 599659245 /nfs/dbraw/zinc/65/92/45/599659245.db2.gz WUZLLPWLLSUMLZ-UHFFFAOYSA-N -1 1 382.405 2.453 20 0 GEADMM Cn1ccnc1[C@H](O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000822699234 607387595 /nfs/dbraw/zinc/38/75/95/607387595.db2.gz SNAJKCGWVFWADV-GOSISDBHSA-N -1 1 390.451 2.098 20 0 GEADMM Cn1ccnc1[C@H](O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000822699234 607387597 /nfs/dbraw/zinc/38/75/97/607387597.db2.gz SNAJKCGWVFWADV-GOSISDBHSA-N -1 1 390.451 2.098 20 0 GEADMM Cn1ccnc1[C@@H](O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000822699236 607387664 /nfs/dbraw/zinc/38/76/64/607387664.db2.gz SNAJKCGWVFWADV-SFHVURJKSA-N -1 1 390.451 2.098 20 0 GEADMM Cn1ccnc1[C@@H](O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000822699236 607387666 /nfs/dbraw/zinc/38/76/66/607387666.db2.gz SNAJKCGWVFWADV-SFHVURJKSA-N -1 1 390.451 2.098 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000738527946 599705872 /nfs/dbraw/zinc/70/58/72/599705872.db2.gz GKOQSFJJLQVASA-UHFFFAOYSA-N -1 1 379.376 2.135 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(OC)c1OC ZINC000738041892 599748427 /nfs/dbraw/zinc/74/84/27/599748427.db2.gz ORTANPMIAITCMI-UHFFFAOYSA-N -1 1 385.369 2.351 20 0 GEADMM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000736698461 599788877 /nfs/dbraw/zinc/78/88/77/599788877.db2.gz PYFHTLPELOBJLE-WBVHZDCISA-N -1 1 396.443 2.321 20 0 GEADMM O=C([O-])C1(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)CCCCC1 ZINC000739309852 599803931 /nfs/dbraw/zinc/80/39/31/599803931.db2.gz UAEMIMPZXDRTRS-UHFFFAOYSA-N -1 1 378.444 2.325 20 0 GEADMM COc1ccnc(N2CCN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)CC2)c1 ZINC000738143672 599817093 /nfs/dbraw/zinc/81/70/93/599817093.db2.gz VMUFHBWKPQRSLT-UHFFFAOYSA-N -1 1 392.362 2.421 20 0 GEADMM O=C([O-])Cc1ccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000739879051 599820634 /nfs/dbraw/zinc/82/06/34/599820634.db2.gz KXAAQEUDHKIREZ-UHFFFAOYSA-N -1 1 375.469 2.280 20 0 GEADMM O=C([O-])CCc1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000739761310 599830404 /nfs/dbraw/zinc/83/04/04/599830404.db2.gz SUJMONGLIHANAS-HXUWFJFHSA-N -1 1 397.475 2.245 20 0 GEADMM O=C([O-])C[C@H]1CCCC[N@H+]1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000739638937 599840614 /nfs/dbraw/zinc/84/06/14/599840614.db2.gz GRKYVJNUOPELDY-IIBYNOLFSA-N -1 1 385.464 2.447 20 0 GEADMM O=C([O-])C[C@H]1CCCCN1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000739638937 599840616 /nfs/dbraw/zinc/84/06/16/599840616.db2.gz GRKYVJNUOPELDY-IIBYNOLFSA-N -1 1 385.464 2.447 20 0 GEADMM Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc21 ZINC000489722449 599849725 /nfs/dbraw/zinc/84/97/25/599849725.db2.gz YUSYPHUEPUJKKR-UHFFFAOYSA-N -1 1 382.781 2.284 20 0 GEADMM O=C([O-])CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000739753730 599877614 /nfs/dbraw/zinc/87/76/14/599877614.db2.gz YVHNYAPOWGQSOE-IBGZPJMESA-N -1 1 395.459 2.033 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)N(C)C)cc1 ZINC000738549771 599881110 /nfs/dbraw/zinc/88/11/10/599881110.db2.gz BEAHXULOXFMSSZ-LJQANCHMSA-N -1 1 397.475 2.370 20 0 GEADMM Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000739051167 599886398 /nfs/dbraw/zinc/88/63/98/599886398.db2.gz OWOFNYQUFUIJIE-UHFFFAOYSA-N -1 1 381.454 2.273 20 0 GEADMM CN1CCN(c2ccccc2NC(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000737530305 599940604 /nfs/dbraw/zinc/94/06/04/599940604.db2.gz SBWRZMFCHSNGBI-UHFFFAOYSA-N -1 1 398.463 2.337 20 0 GEADMM Cc1cnn(CC2CCN([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738812215 599971667 /nfs/dbraw/zinc/97/16/67/599971667.db2.gz NFCBSTOXMLBFSE-MRXNPFEDSA-N -1 1 384.480 2.307 20 0 GEADMM CCOC[C@@H](O)CN1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000737162587 599972025 /nfs/dbraw/zinc/97/20/25/599972025.db2.gz SJIHGIBSRRCGTG-ZDUSSCGKSA-N -1 1 396.484 2.254 20 0 GEADMM Cc1cc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)ccc1C(=O)[O-] ZINC000738444380 600016204 /nfs/dbraw/zinc/01/62/04/600016204.db2.gz OJUJLJYKSFGUKL-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM Cc1cscc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826320924 607414843 /nfs/dbraw/zinc/41/48/43/607414843.db2.gz KKMULRNZWXYAKA-UHFFFAOYSA-N -1 1 382.453 2.467 20 0 GEADMM Cc1cscc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826320924 607414844 /nfs/dbraw/zinc/41/48/44/607414844.db2.gz KKMULRNZWXYAKA-UHFFFAOYSA-N -1 1 382.453 2.467 20 0 GEADMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000504658119 600096817 /nfs/dbraw/zinc/09/68/17/600096817.db2.gz OHUVAWLGVSBVKI-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC000737547310 600097721 /nfs/dbraw/zinc/09/77/21/600097721.db2.gz SZKQIZZQAANVDR-UHFFFAOYSA-N -1 1 386.788 2.338 20 0 GEADMM Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000738602832 600102353 /nfs/dbraw/zinc/10/23/53/600102353.db2.gz DQXKEFRRPNSJQK-UHFFFAOYSA-N -1 1 391.405 2.097 20 0 GEADMM CCC[C@](C)(NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC000736964297 600152873 /nfs/dbraw/zinc/15/28/73/600152873.db2.gz MOUHVELXWNQVHR-AWEZNQCLSA-N -1 1 390.221 2.463 20 0 GEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000736488690 600183505 /nfs/dbraw/zinc/18/35/05/600183505.db2.gz VLLBERXPEPXQAP-SJORKVTESA-N -1 1 391.468 2.235 20 0 GEADMM CN(C)[C@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccc(F)c1 ZINC000737358428 600184700 /nfs/dbraw/zinc/18/47/00/600184700.db2.gz MAZVCOJFLYGQGV-GOSISDBHSA-N -1 1 389.427 2.391 20 0 GEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737487682 600296681 /nfs/dbraw/zinc/29/66/81/600296681.db2.gz PSBPPSFLGLZRKB-HNNXBMFYSA-N -1 1 382.407 2.433 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737362683 600297684 /nfs/dbraw/zinc/29/76/84/600297684.db2.gz YIFWIVWZOWIZGK-MRXNPFEDSA-N -1 1 389.839 2.396 20 0 GEADMM CN(C)C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737360314 600298865 /nfs/dbraw/zinc/29/88/65/600298865.db2.gz LOFBPKCLDCCWRC-INIZCTEOSA-N -1 1 389.839 2.396 20 0 GEADMM C[S@](=O)Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738180904 600302962 /nfs/dbraw/zinc/30/29/62/600302962.db2.gz ZUDKWCDSJQTTNA-QFIPXVFZSA-N -1 1 377.827 2.311 20 0 GEADMM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000739463169 600309044 /nfs/dbraw/zinc/30/90/44/600309044.db2.gz NIENGXBFPIDNSV-UHFFFAOYSA-N -1 1 379.844 2.064 20 0 GEADMM O=C([O-])NCc1ccc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000739983445 600309439 /nfs/dbraw/zinc/30/94/39/600309439.db2.gz BMTQYNSAIISGCW-UHFFFAOYSA-N -1 1 398.444 2.482 20 0 GEADMM Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)N(C)C)cc1 ZINC000738551390 600315460 /nfs/dbraw/zinc/31/54/60/600315460.db2.gz JQCNILSGCZGCGP-KRWDZBQOSA-N -1 1 387.411 2.190 20 0 GEADMM CC(=O)Nc1ccc(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c(C(F)(F)F)c1 ZINC000736159853 600368015 /nfs/dbraw/zinc/36/80/15/600368015.db2.gz NQRPYWIBFGROOR-SECBINFHSA-N -1 1 375.347 2.255 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000738519588 600377636 /nfs/dbraw/zinc/37/76/36/600377636.db2.gz SQJREDIXKCKIBB-NVXWUHKLSA-N -1 1 387.480 2.355 20 0 GEADMM COCCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000262462355 600385589 /nfs/dbraw/zinc/38/55/89/600385589.db2.gz SNZBRGFSJXKOJZ-UHFFFAOYSA-N -1 1 382.214 2.012 20 0 GEADMM CC(C)N1CCO[C@H](CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000736474220 600406288 /nfs/dbraw/zinc/40/62/88/600406288.db2.gz KSFANWIBRLCYLO-MOPGFXCFSA-N -1 1 395.931 2.193 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCC[C@H](C(=O)N(C)C)C3)c12 ZINC000738363833 600505309 /nfs/dbraw/zinc/50/53/09/600505309.db2.gz NXLIEFQYUWBIOB-NWDGAFQWSA-N -1 1 376.482 2.487 20 0 GEADMM O=C([O-])Cn1cc(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000739911841 600530412 /nfs/dbraw/zinc/53/04/12/600530412.db2.gz OFRAKHILOUPITA-UHFFFAOYSA-N -1 1 387.417 2.348 20 0 GEADMM O=C(CN1Cc2ccccc2C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823001533 607451885 /nfs/dbraw/zinc/45/18/85/607451885.db2.gz LUNNTQBKALLKRL-UHFFFAOYSA-N -1 1 386.419 2.007 20 0 GEADMM O=C(CN1Cc2ccccc2C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823001533 607451887 /nfs/dbraw/zinc/45/18/87/607451887.db2.gz LUNNTQBKALLKRL-UHFFFAOYSA-N -1 1 386.419 2.007 20 0 GEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000738475674 600566004 /nfs/dbraw/zinc/56/60/04/600566004.db2.gz BQQWETZOMJGBDN-UHFFFAOYSA-N -1 1 397.475 2.458 20 0 GEADMM CCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481965568 600626930 /nfs/dbraw/zinc/62/69/30/600626930.db2.gz DWXBUEBMLJJBLX-UHFFFAOYSA-N -1 1 386.433 2.393 20 0 GEADMM CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481974361 600627529 /nfs/dbraw/zinc/62/75/29/600627529.db2.gz CEVDIXDKFRINQC-UHFFFAOYSA-N -1 1 384.360 2.351 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390452121 600650678 /nfs/dbraw/zinc/65/06/78/600650678.db2.gz AYXQEJSTMNATCD-HNNXBMFYSA-N -1 1 376.478 2.113 20 0 GEADMM C[C@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000390452126 600650714 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CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)Cc1ccccc1 ZINC000737358513 600692370 /nfs/dbraw/zinc/69/23/70/600692370.db2.gz NYVCHBHDZQUCTQ-MRXNPFEDSA-N -1 1 396.896 2.489 20 0 GEADMM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccc2c(c1)CC(=O)N2C ZINC000827727191 600692555 /nfs/dbraw/zinc/69/25/55/600692555.db2.gz GNSVGUPNRPUVSC-IAQYHMDHSA-N -1 1 399.472 2.421 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c[n-]1 ZINC000833303379 600693136 /nfs/dbraw/zinc/69/31/36/600693136.db2.gz IMSSSWHZHRYKOD-MRXNPFEDSA-N -1 1 397.884 2.482 20 0 GEADMM O=C([O-])C[C@H]1CSCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000739659306 600699336 /nfs/dbraw/zinc/69/93/36/600699336.db2.gz UJKBABRQFAZDAQ-VIFPVBQESA-N -1 1 384.255 2.358 20 0 GEADMM C[C@@H](O)CN1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000736677545 600707195 /nfs/dbraw/zinc/70/71/95/600707195.db2.gz NDHVUQXTCVTDMN-LLVKDONJSA-N -1 1 394.269 2.198 20 0 GEADMM COC(=O)c1c(N)sc(C(=O)[O-])c1COC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000737649167 600735832 /nfs/dbraw/zinc/73/58/32/600735832.db2.gz JDPOADMWXJHFSB-BBBLOLIVSA-N -1 1 384.454 2.120 20 0 GEADMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OCC(=O)N(C)C ZINC000832000294 600738581 /nfs/dbraw/zinc/73/85/81/600738581.db2.gz MFJZIKTUCHQZOO-IBGZPJMESA-N -1 1 390.411 2.217 20 0 GEADMM Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)o1 ZINC000237152265 600772707 /nfs/dbraw/zinc/77/27/07/600772707.db2.gz KYNLZEVIARGZFV-UHFFFAOYSA-N -1 1 380.466 2.347 20 0 GEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCOC[C@H]1CCCO1)CC2 ZINC000571810969 600792300 /nfs/dbraw/zinc/79/23/00/600792300.db2.gz PFMFZNNQMRUXPT-WBVHZDCISA-N -1 1 379.453 2.273 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cn1C ZINC000831348410 600813982 /nfs/dbraw/zinc/81/39/82/600813982.db2.gz KEMAORAMCBHYHE-UHFFFAOYSA-N -1 1 380.422 2.434 20 0 GEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCOC2(CCCCC2)C1 ZINC000831919677 600834677 /nfs/dbraw/zinc/83/46/77/600834677.db2.gz ZWUSCGDRGSTWQS-INIZCTEOSA-N -1 1 379.453 2.168 20 0 GEADMM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(NS(C)(=O)=O)c1OC ZINC000831877777 600848374 /nfs/dbraw/zinc/84/83/74/600848374.db2.gz MYSYWRQIYUKBRH-UHFFFAOYSA-N -1 1 394.405 2.026 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cc(C(=O)[O-])ccc3Cl)[nH]c2c1 ZINC000832958675 600863808 /nfs/dbraw/zinc/86/38/08/600863808.db2.gz HBLACDFDPBNHKZ-UHFFFAOYSA-N -1 1 386.795 2.478 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000827949634 600879426 /nfs/dbraw/zinc/87/94/26/600879426.db2.gz LKWBSDZBJPWWSP-GXTWGEPZSA-N -1 1 387.461 2.337 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000738531485 600904798 /nfs/dbraw/zinc/90/47/98/600904798.db2.gz IASWVGBDABYEAJ-CYBMUJFWSA-N -1 1 390.461 2.386 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738164192 600909547 /nfs/dbraw/zinc/90/95/47/600909547.db2.gz NSQUSSJNFGZNNV-LLVKDONJSA-N -1 1 392.408 2.416 20 0 GEADMM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000828276822 600934625 /nfs/dbraw/zinc/93/46/25/600934625.db2.gz FRBDWNVNNKVWPD-INIZCTEOSA-N -1 1 395.459 2.446 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)c2)CC1 ZINC000830954706 600946336 /nfs/dbraw/zinc/94/63/36/600946336.db2.gz GNGLFEMQDSGZOZ-IBGZPJMESA-N -1 1 379.460 2.263 20 0 GEADMM O=C([O-])CNC(=O)CN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000262262285 600978135 /nfs/dbraw/zinc/97/81/35/600978135.db2.gz SHOPLFVGLROYFQ-UHFFFAOYSA-N -1 1 375.252 2.285 20 0 GEADMM CC[C@@H](C)[C@@H](NC(=O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)[O-] ZINC000736875072 600986800 /nfs/dbraw/zinc/98/68/00/600986800.db2.gz UZVZMOIRLJOBJX-AMIZOPFISA-N -1 1 384.408 2.458 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC000739278520 601029165 /nfs/dbraw/zinc/02/91/65/601029165.db2.gz ODMVEMFRUHKHII-SFHVURJKSA-N -1 1 386.448 2.409 20 0 GEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(N(C)CC(F)F)CC1 ZINC000826004564 601043008 /nfs/dbraw/zinc/04/30/08/601043008.db2.gz 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/nfs/dbraw/zinc/91/00/25/601910025.db2.gz CMECPTDHROKNPO-AWEZNQCLSA-N -1 1 388.205 2.026 20 0 GEADMM C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCSC[C@H]1CC(=O)[O-] ZINC000826004807 601919128 /nfs/dbraw/zinc/91/91/28/601919128.db2.gz KCZURMAFXSUEKW-UKRRQHHQSA-N -1 1 375.494 2.107 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000740370446 601925005 /nfs/dbraw/zinc/92/50/05/601925005.db2.gz WVUQECSKWQDZCF-XDNAFOTISA-N -1 1 379.501 2.153 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000740370446 601925006 /nfs/dbraw/zinc/92/50/06/601925006.db2.gz WVUQECSKWQDZCF-XDNAFOTISA-N -1 1 379.501 2.153 20 0 GEADMM C[C@H](NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000738962555 601957088 /nfs/dbraw/zinc/95/70/88/601957088.db2.gz SMCHURNXOODTFH-RYUDHWBXSA-N -1 1 384.274 2.216 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000580074485 601968468 /nfs/dbraw/zinc/96/84/68/601968468.db2.gz VGUDIDWQYPRITC-KSSFIOAISA-N -1 1 381.432 2.103 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000828168809 601969020 /nfs/dbraw/zinc/96/90/20/601969020.db2.gz QZMUWKQONWXVEK-BBRMVZONSA-N -1 1 399.422 2.242 20 0 GEADMM Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000832892290 601969841 /nfs/dbraw/zinc/96/98/41/601969841.db2.gz RTWCLFCPSOYGKT-CRAIPNDOSA-N -1 1 395.459 2.411 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)c(C)c1 ZINC000739930963 601976211 /nfs/dbraw/zinc/97/62/11/601976211.db2.gz CVUMTYXJZUPGGO-UHFFFAOYSA-N -1 1 383.451 2.297 20 0 GEADMM COC(=O)Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000831188586 601988443 /nfs/dbraw/zinc/98/84/43/601988443.db2.gz CNWUZDWXZZKHDV-UHFFFAOYSA-N -1 1 385.344 2.179 20 0 GEADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000398120918 601989007 /nfs/dbraw/zinc/98/90/07/601989007.db2.gz QMEHKWDPWLOMRO-QAPCUYQASA-N -1 1 388.489 2.255 20 0 GEADMM CC(=O)Nc1cccc(-n2cnnc2SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000824005047 607538453 /nfs/dbraw/zinc/53/84/53/607538453.db2.gz JKNRSUIRUGUAAJ-UHFFFAOYSA-N -1 1 393.436 2.093 20 0 GEADMM CC(=O)Nc1cccc(-n2cnnc2SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000824005047 607538454 /nfs/dbraw/zinc/53/84/54/607538454.db2.gz JKNRSUIRUGUAAJ-UHFFFAOYSA-N -1 1 393.436 2.093 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)N2CCCC2)o1 ZINC000740116216 602021151 /nfs/dbraw/zinc/02/11/51/602021151.db2.gz ARRKKAIPTRGRFN-JKSUJKDBSA-N -1 1 378.473 2.414 20 0 GEADMM O=C([O-])N1CSC[C@@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000740345395 602024365 /nfs/dbraw/zinc/02/43/65/602024365.db2.gz ATHMGGOXQNIGBG-CQSZACIVSA-N -1 1 387.465 2.231 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000830620540 602044883 /nfs/dbraw/zinc/04/48/83/602044883.db2.gz VKEBKIOOWCDKNS-CVEARBPZSA-N -1 1 390.484 2.392 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2C1 ZINC000826682132 602045746 /nfs/dbraw/zinc/04/57/46/602045746.db2.gz WNTKSVGKXHZWLQ-SPLOXXLWSA-N -1 1 387.480 2.308 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)N2CCCC2)cc1 ZINC000739892574 602057940 /nfs/dbraw/zinc/05/79/40/602057940.db2.gz HPJAZNLUUFQTHU-MAUKXSAKSA-N -1 1 390.484 2.131 20 0 GEADMM C[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738975909 602079964 /nfs/dbraw/zinc/07/99/64/602079964.db2.gz KJADNJPLHSDJNI-HOTGVXAUSA-N -1 1 389.500 2.124 20 0 GEADMM Cc1nc2ccc(NC(=O)c3nnn(C4CCN(C(=O)[O-])CC4)c3C)cc2[nH]1 ZINC000740231072 602115314 /nfs/dbraw/zinc/11/53/14/602115314.db2.gz VXJSVTFREICWAN-UHFFFAOYSA-N -1 1 383.412 2.338 20 0 GEADMM O=C([O-])Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000738620236 602117370 /nfs/dbraw/zinc/11/73/70/602117370.db2.gz KRSRFIFHQDJCQL-LJQANCHMSA-N -1 1 395.459 2.206 20 0 GEADMM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000827316710 602141131 /nfs/dbraw/zinc/14/11/31/602141131.db2.gz COXGNYLDFBHFQV-KRWDZBQOSA-N -1 1 396.491 2.496 20 0 GEADMM O=C([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000833295672 602157953 /nfs/dbraw/zinc/15/79/53/602157953.db2.gz FJMVFKVMWGVKMP-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 ZINC000827379547 602190771 /nfs/dbraw/zinc/19/07/71/602190771.db2.gz HZLZLLDADXUCQP-MRXNPFEDSA-N -1 1 396.491 2.436 20 0 GEADMM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000828237757 602219631 /nfs/dbraw/zinc/21/96/31/602219631.db2.gz FWGHAQQLMCFLBF-CHWSQXEVSA-N -1 1 397.497 2.173 20 0 GEADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)NC(=O)[O-])c2C1 ZINC000738896728 602227496 /nfs/dbraw/zinc/22/74/96/602227496.db2.gz PNZWXUNWVPWXEN-ZIAGYGMSSA-N -1 1 390.484 2.148 20 0 GEADMM CS(=O)(=O)c1cc(NC(=O)c2cc(F)cc3[nH]cnc32)cc(C(=O)[O-])c1 ZINC000540701812 602253363 /nfs/dbraw/zinc/25/33/63/602253363.db2.gz LXWWXKOMDYXUAL-UHFFFAOYSA-N -1 1 377.353 2.056 20 0 GEADMM O=C([O-])N1CCC(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1 ZINC000740503890 602257188 /nfs/dbraw/zinc/25/71/88/602257188.db2.gz PDKOERUWPVAUSI-UHFFFAOYSA-N -1 1 391.497 2.306 20 0 GEADMM Cc1cccc(NC(=O)CN2CCN(CC3CCN(C(=O)[O-])CC3)CC2)c1C ZINC000740172857 602257317 /nfs/dbraw/zinc/25/73/17/602257317.db2.gz YLJSACLGQJOOJE-UHFFFAOYSA-N -1 1 388.512 2.250 20 0 GEADMM CN(CCC1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825918982 607556134 /nfs/dbraw/zinc/55/61/34/607556134.db2.gz RUHDNTIFUJWNEH-UHFFFAOYSA-N -1 1 375.376 2.306 20 0 GEADMM CN(C[C@H]1CCCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739638158 602398854 /nfs/dbraw/zinc/39/88/54/602398854.db2.gz VBDGVFNFQGXDKH-QAPCUYQASA-N -1 1 393.459 2.047 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000830580176 602402277 /nfs/dbraw/zinc/40/22/77/602402277.db2.gz FWMULSWZSPRYLJ-MRXNPFEDSA-N -1 1 391.374 2.021 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000833155199 602402812 /nfs/dbraw/zinc/40/28/12/602402812.db2.gz VSUQAZNCILJPNS-GOSISDBHSA-N -1 1 399.422 2.416 20 0 GEADMM CN(CC1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1)C(=O)[O-] ZINC000739648832 602415570 /nfs/dbraw/zinc/41/55/70/602415570.db2.gz GZWIFPFSCSNJJD-UHFFFAOYSA-N -1 1 389.500 2.077 20 0 GEADMM CC(C)Oc1cccc(CNC(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000738864573 602443656 /nfs/dbraw/zinc/44/36/56/602443656.db2.gz GSLUUOQNLFNOLM-OAHLLOKOSA-N -1 1 377.485 2.458 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000739022838 602447662 /nfs/dbraw/zinc/44/76/62/602447662.db2.gz FUHGUWAFAOGZCF-AWEZNQCLSA-N -1 1 384.480 2.421 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000739022848 602451403 /nfs/dbraw/zinc/45/14/03/602451403.db2.gz FWMYBWHEZLBSGH-HNNXBMFYSA-N -1 1 384.480 2.262 20 0 GEADMM Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740162174 602451570 /nfs/dbraw/zinc/45/15/70/602451570.db2.gz HYDCFJJOHBGHCE-GOSISDBHSA-N -1 1 388.512 2.250 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)c1OC ZINC000739948443 602451690 /nfs/dbraw/zinc/45/16/90/602451690.db2.gz XMRNCUANNOUMFU-CQSZACIVSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000739020938 602461453 /nfs/dbraw/zinc/46/14/53/602461453.db2.gz LZUIOCNEBZTNAK-KDOFPFPSSA-N -1 1 392.475 2.287 20 0 GEADMM O=C([O-])N1CCc2ccc(NS(=O)(=O)c3cccc4c3OCCO4)cc2C1 ZINC000740530612 602490805 /nfs/dbraw/zinc/49/08/05/602490805.db2.gz UIDJMEOXJDNLGM-UHFFFAOYSA-N -1 1 390.417 2.295 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)[O-])N1CCCC1 ZINC000739964113 602492838 /nfs/dbraw/zinc/49/28/38/602492838.db2.gz PLLREFSPVUTGNO-DLBZAZTESA-N -1 1 375.469 2.481 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@@H]3CCCCN3C(=O)[O-])CC2)cc1 ZINC000739910103 602495975 /nfs/dbraw/zinc/49/59/75/602495975.db2.gz YKUHQBBNSCBVSO-SFHVURJKSA-N -1 1 375.469 2.262 20 0 GEADMM COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)[O-])CC2)c1 ZINC000739983654 602519611 /nfs/dbraw/zinc/51/96/11/602519611.db2.gz HATQLQKUEAYEGW-UAGQMJEPSA-N -1 1 388.468 2.050 20 0 GEADMM COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826178554 607571907 /nfs/dbraw/zinc/57/19/07/607571907.db2.gz CNPZHXYPRMPCBG-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM CCOc1ccc(C=O)c(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825638163 607573235 /nfs/dbraw/zinc/57/32/35/607573235.db2.gz HXCXJDZGZHSQHT-UHFFFAOYSA-N -1 1 388.405 2.154 20 0 GEADMM COc1ccc(C(C)=O)c(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826188463 607573250 /nfs/dbraw/zinc/57/32/50/607573250.db2.gz XUSBKCHYBGDYJP-UHFFFAOYSA-N -1 1 388.405 2.154 20 0 GEADMM CC1(C)Cc2cccc(OS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)c2O1 ZINC000824811766 607575032 /nfs/dbraw/zinc/57/50/32/607575032.db2.gz BMAXFENYIRYGTF-UHFFFAOYSA-N -1 1 390.396 2.487 20 0 GEADMM CC1(C)Cc2cccc(OS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)c2O1 ZINC000824811766 607575033 /nfs/dbraw/zinc/57/50/33/607575033.db2.gz BMAXFENYIRYGTF-UHFFFAOYSA-N -1 1 390.396 2.487 20 0 GEADMM COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826219228 607577443 /nfs/dbraw/zinc/57/74/43/607577443.db2.gz WHBXYUNEGWFCBM-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC1 ZINC000739004597 602688787 /nfs/dbraw/zinc/68/87/87/602688787.db2.gz BUXOVSQUDSENBQ-HNNXBMFYSA-N -1 1 389.500 2.338 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000739011039 602696744 /nfs/dbraw/zinc/69/67/44/602696744.db2.gz YYEZKFPLYNIIIA-HNNXBMFYSA-N -1 1 389.500 2.124 20 0 GEADMM O=S(=O)(NCCOc1ccccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491467 607577976 /nfs/dbraw/zinc/57/79/76/607577976.db2.gz KTHOUIWBGCDYBG-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM O=S(=O)(NCCOc1ccccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491467 607577978 /nfs/dbraw/zinc/57/79/78/607577978.db2.gz KTHOUIWBGCDYBG-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489955 607582978 /nfs/dbraw/zinc/58/29/78/607582978.db2.gz FOQHQGBMQWIZBD-UHFFFAOYSA-N -1 1 387.440 2.406 20 0 GEADMM CCOCc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825603796 607583296 /nfs/dbraw/zinc/58/32/96/607583296.db2.gz CRRKDVJWFXZSPG-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM CCOCc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825603796 607583298 /nfs/dbraw/zinc/58/32/98/607583298.db2.gz CRRKDVJWFXZSPG-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCN(C(=O)[O-])C[C@H]2C)CC1 ZINC000739454636 602744111 /nfs/dbraw/zinc/74/41/11/602744111.db2.gz DKWSLZAUEZCOTK-OAHLLOKOSA-N -1 1 375.473 2.045 20 0 GEADMM CC(C)Oc1ccc(CCNC(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738867890 602784812 /nfs/dbraw/zinc/78/48/12/602784812.db2.gz XSGLGFSZELUMTL-QAPCUYQASA-N -1 1 377.485 2.111 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000739453956 602793739 /nfs/dbraw/zinc/79/37/39/602793739.db2.gz BIKMDHADODULEA-INIZCTEOSA-N -1 1 377.489 2.242 20 0 GEADMM COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000739929260 602798140 /nfs/dbraw/zinc/79/81/40/602798140.db2.gz CURWXJJBHVUBKN-FHIRATQRSA-N -1 1 393.484 2.248 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC1 ZINC000739011419 602807406 /nfs/dbraw/zinc/80/74/06/602807406.db2.gz UIMZKTQNVNAAPA-CYBMUJFWSA-N -1 1 380.464 2.465 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC2)cc1 ZINC000739906119 602851898 /nfs/dbraw/zinc/85/18/98/602851898.db2.gz KVKSFNWHDFHTHB-GOSISDBHSA-N -1 1 392.500 2.205 20 0 GEADMM O=C([O-])NC[C@H](C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000832408440 602867680 /nfs/dbraw/zinc/86/76/80/602867680.db2.gz ROCCQEPRSJCQHQ-HNNXBMFYSA-N -1 1 383.383 2.278 20 0 GEADMM O=C([O-])NC[C@H](C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000832408440 602867685 /nfs/dbraw/zinc/86/76/85/602867685.db2.gz ROCCQEPRSJCQHQ-HNNXBMFYSA-N -1 1 383.383 2.278 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000739982124 602891319 /nfs/dbraw/zinc/89/13/19/602891319.db2.gz ZUZIHMNOSDFPMT-GOEBONIOSA-N -1 1 377.466 2.485 20 0 GEADMM C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824464183 607593390 /nfs/dbraw/zinc/59/33/90/607593390.db2.gz FWOWYJCVGLLXIV-SECBINFHSA-N -1 1 383.886 2.491 20 0 GEADMM C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824464183 607593391 /nfs/dbraw/zinc/59/33/91/607593391.db2.gz FWOWYJCVGLLXIV-SECBINFHSA-N -1 1 383.886 2.491 20 0 GEADMM Cc1occc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826342454 607595952 /nfs/dbraw/zinc/59/59/52/607595952.db2.gz LIVMBJYWDSCFCC-UHFFFAOYSA-N -1 1 387.343 2.265 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488603 607598143 /nfs/dbraw/zinc/59/81/43/607598143.db2.gz UPQBNEQFVQKWBM-WCQYABFASA-N -1 1 375.841 2.355 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488603 607598145 /nfs/dbraw/zinc/59/81/45/607598145.db2.gz UPQBNEQFVQKWBM-WCQYABFASA-N -1 1 375.841 2.355 20 0 GEADMM O=S(=O)(NCc1ccc(F)c(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492059 607598370 /nfs/dbraw/zinc/59/83/70/607598370.db2.gz QGXQPAXAJPLIML-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=S(=O)(NCc1ccc(F)c(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492059 607598371 /nfs/dbraw/zinc/59/83/71/607598371.db2.gz QGXQPAXAJPLIML-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738962345 602981548 /nfs/dbraw/zinc/98/15/48/602981548.db2.gz RZXNFXFUTOVPMZ-QRTARXTBSA-N -1 1 392.475 2.191 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826189408 607601065 /nfs/dbraw/zinc/60/10/65/607601065.db2.gz VAZFYCQGVWBXRY-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000740080454 603089988 /nfs/dbraw/zinc/08/99/88/603089988.db2.gz RBYUJBUXNWCPJV-UHFFFAOYSA-N -1 1 389.500 2.447 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824167217 607606182 /nfs/dbraw/zinc/60/61/82/607606182.db2.gz PAPYMPJSWYBYQU-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM CC(C)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824167217 607606183 /nfs/dbraw/zinc/60/61/83/607606183.db2.gz PAPYMPJSWYBYQU-UHFFFAOYSA-N -1 1 379.392 2.359 20 0 GEADMM CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000738773777 603135259 /nfs/dbraw/zinc/13/52/59/603135259.db2.gz VRURHQLBZSEBDZ-LJQANCHMSA-N -1 1 376.457 2.022 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000738822937 603141120 /nfs/dbraw/zinc/14/11/20/603141120.db2.gz CYWHOKLPFPUNCN-INIZCTEOSA-N -1 1 378.473 2.275 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148696 607610021 /nfs/dbraw/zinc/61/00/21/607610021.db2.gz SDDSNNQBVFMZSL-NSHDSACASA-N -1 1 382.446 2.200 20 0 GEADMM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000738911549 603213890 /nfs/dbraw/zinc/21/38/90/603213890.db2.gz LWGQEFGBIDKIGM-MRXNPFEDSA-N -1 1 376.501 2.140 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)C[C@H]1CCCN1C(=O)[O-])N1CCCC1 ZINC000829592307 603235380 /nfs/dbraw/zinc/23/53/80/603235380.db2.gz PNTJVVLYXTXSRO-WBVHZDCISA-N -1 1 375.469 2.481 20 0 GEADMM O=S(=O)(NC[C@H]1CCc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489839 607619215 /nfs/dbraw/zinc/61/92/15/607619215.db2.gz BGQAHISXPZBKNO-LBPRGKRZSA-N -1 1 387.440 2.089 20 0 GEADMM O=S(=O)(N[C@H]1CSc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489040 607619345 /nfs/dbraw/zinc/61/93/45/607619345.db2.gz GJEADDQITAXNDX-LBPRGKRZSA-N -1 1 377.426 2.131 20 0 GEADMM C[C@H]1CN(CCCNC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C[C@H](C)O1 ZINC000739181296 603295308 /nfs/dbraw/zinc/29/53/08/603295308.db2.gz IIRUMLSLYGPBCY-GJZGRUSLSA-N -1 1 390.484 2.344 20 0 GEADMM Cc1ccc(C[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826287363 607621266 /nfs/dbraw/zinc/62/12/66/607621266.db2.gz LYAUSZLQRHLQKT-VIFPVBQESA-N -1 1 381.458 2.285 20 0 GEADMM Cc1ccc(C[C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826287363 607621267 /nfs/dbraw/zinc/62/12/67/607621267.db2.gz LYAUSZLQRHLQKT-VIFPVBQESA-N -1 1 381.458 2.285 20 0 GEADMM O=C([O-])N1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000740400649 603314591 /nfs/dbraw/zinc/31/45/91/603314591.db2.gz QVESZDCAMFEQKE-HIFRSBDPSA-N -1 1 385.386 2.396 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-] ZINC000739449615 603355643 /nfs/dbraw/zinc/35/56/43/603355643.db2.gz ZHMNWXWGEPAYCO-QZTJIDSGSA-N -1 1 390.484 2.249 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)C(=O)[O-] ZINC000739449616 603356060 /nfs/dbraw/zinc/35/60/60/603356060.db2.gz ZHMNWXWGEPAYCO-ROUUACIJSA-N -1 1 390.484 2.249 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000825427776 603363727 /nfs/dbraw/zinc/36/37/27/603363727.db2.gz ZAYLEFOJNGSMRQ-QAPCUYQASA-N -1 1 391.516 2.409 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CCN1CCOC ZINC000739282317 603364792 /nfs/dbraw/zinc/36/47/92/603364792.db2.gz ZRTDSSKYXAZRCA-KRWDZBQOSA-N -1 1 378.473 2.371 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000739600729 603382253 /nfs/dbraw/zinc/38/22/53/603382253.db2.gz AFVRJCYIXXGQLO-CYBMUJFWSA-N -1 1 376.438 2.196 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000827418680 603393462 /nfs/dbraw/zinc/39/34/62/603393462.db2.gz RQLKIRSTIGEMJS-CQSZACIVSA-N -1 1 393.488 2.005 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)N(C)C)cc1 ZINC000740112662 603402530 /nfs/dbraw/zinc/40/25/30/603402530.db2.gz FTNCDPVEKMCQKE-QGZVFWFLSA-N -1 1 384.436 2.443 20 0 GEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000738954106 603413446 /nfs/dbraw/zinc/41/34/46/603413446.db2.gz UVNXHDNAWJHNMZ-HOSILWTGSA-N -1 1 391.468 2.002 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000829362366 603437711 /nfs/dbraw/zinc/43/77/11/603437711.db2.gz KJLLBPYZBZYEHO-IRXDYDNUSA-N -1 1 375.469 2.166 20 0 GEADMM O=C([O-])NC1(CNC(=O)CSc2n[nH]c(=S)s2)CCCCCC1 ZINC000832219685 603441422 /nfs/dbraw/zinc/44/14/22/603441422.db2.gz QLNOEELGPUZOEF-UHFFFAOYSA-N -1 1 376.529 2.396 20 0 GEADMM COc1ccc(-c2cc(C(=O)N3C[C@H](C)N(C(=O)[O-])[C@@H](C)C3)n[nH]2)cc1OC ZINC000829234741 603539474 /nfs/dbraw/zinc/53/94/74/603539474.db2.gz SEIRCTKQYXOCII-RYUDHWBXSA-N -1 1 388.424 2.307 20 0 GEADMM O=C([O-])N[C@H](CC(=O)NCc1n[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000832106417 603544699 /nfs/dbraw/zinc/54/46/99/603544699.db2.gz ZBVGQCZNILLZRY-INIZCTEOSA-N -1 1 379.420 2.357 20 0 GEADMM O=C([O-])N[C@H](CC(=O)NCc1nc(-c2ccccc2)n[nH]1)Cc1ccccc1 ZINC000832106417 603544704 /nfs/dbraw/zinc/54/47/04/603544704.db2.gz ZBVGQCZNILLZRY-INIZCTEOSA-N -1 1 379.420 2.357 20 0 GEADMM CCN(CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C1CCCCC1 ZINC000827156683 603591808 /nfs/dbraw/zinc/59/18/08/603591808.db2.gz KHOOLZHOUHTTQQ-KUHUBIRLSA-N -1 1 380.489 2.347 20 0 GEADMM C[C@@H]1CCC[C@H](N(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889042 603593688 /nfs/dbraw/zinc/59/36/88/603593688.db2.gz SPCIVRCGVKGDIV-BKEDOTJMSA-N -1 1 380.489 2.203 20 0 GEADMM O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487084 607634739 /nfs/dbraw/zinc/63/47/39/607634739.db2.gz CMHNDBPSHYCGAU-ZDUSSCGKSA-N -1 1 399.904 2.130 20 0 GEADMM O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487084 607634740 /nfs/dbraw/zinc/63/47/40/607634740.db2.gz CMHNDBPSHYCGAU-ZDUSSCGKSA-N -1 1 399.904 2.130 20 0 GEADMM C[C@@H]1CCC[C@H](C)N(CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889318 603604938 /nfs/dbraw/zinc/60/49/38/603604938.db2.gz WOIKIYZIMFXVGJ-NXEZDXNNSA-N -1 1 380.489 2.203 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829313131 603611095 /nfs/dbraw/zinc/61/10/95/603611095.db2.gz ZZXLAXPJNBGTQG-WMZOPIPTSA-N -1 1 390.484 2.226 20 0 GEADMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000828745064 603631104 /nfs/dbraw/zinc/63/11/04/603631104.db2.gz WNMHRQMDEQUTQZ-UHFFFAOYSA-N -1 1 379.394 2.376 20 0 GEADMM CC[C@@](C)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825043086 607646892 /nfs/dbraw/zinc/64/68/92/607646892.db2.gz DPBVPAGXVHCJBX-OAHLLOKOSA-N -1 1 396.473 2.374 20 0 GEADMM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000824175803 603800112 /nfs/dbraw/zinc/80/01/12/603800112.db2.gz FHFUOUQVYWPVSC-NRFANRHFSA-N -1 1 390.528 2.236 20 0 GEADMM CN(C)Cc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])ccc1F ZINC000828042480 603800894 /nfs/dbraw/zinc/80/08/94/603800894.db2.gz FYMXCCVNZIMCRQ-MQVJKMGUSA-N -1 1 378.448 2.360 20 0 GEADMM CCC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000826774912 603824436 /nfs/dbraw/zinc/82/44/36/603824436.db2.gz LLQOSRRYPQJWGA-CLCXKQKWSA-N -1 1 380.489 2.204 20 0 GEADMM CS(=O)(=O)Nc1cccc(CNCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000829691956 603849927 /nfs/dbraw/zinc/84/99/27/603849927.db2.gz VATOONDHMUTUBQ-UHFFFAOYSA-N -1 1 375.450 2.388 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NC1CCN(Cc3ccncc3)CC1)C2 ZINC000831304963 603851475 /nfs/dbraw/zinc/85/14/75/603851475.db2.gz SMZAKYKYMJGTQY-JLYLLQBASA-N -1 1 386.496 2.473 20 0 GEADMM CC(C)[C@@H](CCN(C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)[O-] ZINC000824098413 603852136 /nfs/dbraw/zinc/85/21/36/603852136.db2.gz HKIVYQGMORJJTI-WCQYABFASA-N -1 1 377.445 2.210 20 0 GEADMM Cc1ccc(S(=O)(=O)NCCNCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000830421167 603855658 /nfs/dbraw/zinc/85/56/58/603855658.db2.gz KROWCWJTBBBGJE-UHFFFAOYSA-N -1 1 389.477 2.104 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824427333 607655855 /nfs/dbraw/zinc/65/58/55/607655855.db2.gz LWNONEUWIRIJNL-SECBINFHSA-N -1 1 397.382 2.366 20 0 GEADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824427333 607655857 /nfs/dbraw/zinc/65/58/57/607655857.db2.gz LWNONEUWIRIJNL-SECBINFHSA-N -1 1 397.382 2.366 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1CCOCC1 ZINC000825146583 607658531 /nfs/dbraw/zinc/65/85/31/607658531.db2.gz DIGXQTKCMJREJP-LBPRGKRZSA-N -1 1 385.877 2.004 20 0 GEADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CCOCC1 ZINC000825146583 607658532 /nfs/dbraw/zinc/65/85/32/607658532.db2.gz DIGXQTKCMJREJP-LBPRGKRZSA-N -1 1 385.877 2.004 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)NC(=O)[O-])N1CCCC1 ZINC000829597032 603888124 /nfs/dbraw/zinc/88/81/24/603888124.db2.gz DLFVLUKAILRLNK-OAHLLOKOSA-N -1 1 378.473 2.178 20 0 GEADMM CN(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(F)c1 ZINC000827996419 603888191 /nfs/dbraw/zinc/88/81/91/603888191.db2.gz XNFYPNOTZATBLQ-NPYXIHBLSA-N -1 1 378.448 2.401 20 0 GEADMM C[C@@H](Oc1cccnc1)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000825617746 603908353 /nfs/dbraw/zinc/90/83/53/603908353.db2.gz RTRLSICZUUQLSC-LLVKDONJSA-N -1 1 382.380 2.040 20 0 GEADMM C[C@@H](Oc1cccnc1)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000825617746 603908358 /nfs/dbraw/zinc/90/83/58/603908358.db2.gz RTRLSICZUUQLSC-LLVKDONJSA-N -1 1 382.380 2.040 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)n1 ZINC000832729147 603913304 /nfs/dbraw/zinc/91/33/04/603913304.db2.gz BXLYPUKPRWFHGD-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)n[nH]1 ZINC000832729147 603913307 /nfs/dbraw/zinc/91/33/07/603913307.db2.gz BXLYPUKPRWFHGD-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2)n1 ZINC000832730280 603914031 /nfs/dbraw/zinc/91/40/31/603914031.db2.gz RDRHEOZTWDACKF-UHFFFAOYSA-N -1 1 381.396 2.094 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2)n[nH]1 ZINC000832730280 603914033 /nfs/dbraw/zinc/91/40/33/603914033.db2.gz RDRHEOZTWDACKF-UHFFFAOYSA-N -1 1 381.396 2.094 20 0 GEADMM O=C([O-])N1CC(OCC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000831859084 603936681 /nfs/dbraw/zinc/93/66/81/603936681.db2.gz RWNQOOFNEKEEPC-AWEZNQCLSA-N -1 1 378.816 2.259 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](NC(=O)[O-])[C@H](C)CC ZINC000827419032 604014730 /nfs/dbraw/zinc/01/47/30/604014730.db2.gz WIZHFGXIJUMLLF-RDTXWAMCSA-N -1 1 392.500 2.458 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000827417974 604014971 /nfs/dbraw/zinc/01/49/71/604014971.db2.gz HHPGYLMOYYASMX-HZPDHXFCSA-N -1 1 390.484 2.212 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCSc2ccncc21 ZINC000826494875 607666563 /nfs/dbraw/zinc/66/65/63/607666563.db2.gz STWWOPUUUXLSKR-UHFFFAOYSA-N -1 1 394.869 2.216 20 0 GEADMM CCc1noc(CC)c1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825777244 607669481 /nfs/dbraw/zinc/66/94/81/607669481.db2.gz RCDACIJETOBUOT-UHFFFAOYSA-N -1 1 396.860 2.111 20 0 GEADMM CCc1noc(CC)c1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825777244 607669483 /nfs/dbraw/zinc/66/94/83/607669483.db2.gz RCDACIJETOBUOT-UHFFFAOYSA-N -1 1 396.860 2.111 20 0 GEADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CO2 ZINC000826293898 607674077 /nfs/dbraw/zinc/67/40/77/607674077.db2.gz DLASQXIZYWDSRQ-LBPRGKRZSA-N -1 1 391.840 2.241 20 0 GEADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CO2 ZINC000826293898 607674078 /nfs/dbraw/zinc/67/40/78/607674078.db2.gz DLASQXIZYWDSRQ-LBPRGKRZSA-N -1 1 391.840 2.241 20 0 GEADMM Cc1ccc2nc(CNC(=O)N3CCC(OCCCNC(=O)[O-])CC3)[nH]c2c1 ZINC000830433014 604142422 /nfs/dbraw/zinc/14/24/22/604142422.db2.gz OZIXZXNMILXWOB-UHFFFAOYSA-N -1 1 389.456 2.220 20 0 GEADMM CN(CCNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000828324488 604144729 /nfs/dbraw/zinc/14/47/29/604144729.db2.gz QTCPVVPOSZKPKZ-INIZCTEOSA-N -1 1 380.464 2.289 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC000827187159 604145248 /nfs/dbraw/zinc/14/52/48/604145248.db2.gz RJKBZIDFCOARJA-MRXNPFEDSA-N -1 1 390.484 2.373 20 0 GEADMM O=S(=O)(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489608 607675827 /nfs/dbraw/zinc/67/58/27/607675827.db2.gz VHEYMZJAROKCST-CYBMUJFWSA-N -1 1 395.460 2.166 20 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Cc1ccc(-n2nccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nn1 ZINC000832909325 604623218 /nfs/dbraw/zinc/62/32/18/604623218.db2.gz IYFDZCYWBRGFCM-UHFFFAOYSA-N -1 1 393.812 2.123 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])N2CCCC2)c1 ZINC000832533283 604674059 /nfs/dbraw/zinc/67/40/59/604674059.db2.gz KELNCJSOEWYSEK-SJLPKXTDSA-N -1 1 375.469 2.481 20 0 GEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000833263794 604683414 /nfs/dbraw/zinc/68/34/14/604683414.db2.gz UOMKJANOFZDTAM-UHFFFAOYSA-N -1 1 399.472 2.366 20 0 GEADMM CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833502985 604687418 /nfs/dbraw/zinc/68/74/18/604687418.db2.gz JISISCORXYKADS-UHFFFAOYSA-N -1 1 378.410 2.111 20 0 GEADMM Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833743335 604689209 /nfs/dbraw/zinc/68/92/09/604689209.db2.gz YRQRUCDENKIMMC-UHFFFAOYSA-N -1 1 389.433 2.125 20 0 GEADMM Cc1cc(C[C@H](C)NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)n[nH]1 ZINC000832883862 604689832 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ADTRNDQSIPQRRP-WMLDXEAASA-N -1 1 377.510 2.207 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000833621301 605054744 /nfs/dbraw/zinc/05/47/44/605054744.db2.gz ADTRNDQSIPQRRP-YOEHRIQHSA-N -1 1 377.510 2.207 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000833621939 605058191 /nfs/dbraw/zinc/05/81/91/605058191.db2.gz CDPHOSBQGFAKSD-HNNXBMFYSA-N -1 1 377.460 2.339 20 0 GEADMM COC(=O)c1cc(NC(=O)CN[C@@H](C)c2ccc(OC)cc2)cc(C(=O)[O-])c1 ZINC000833714086 605068483 /nfs/dbraw/zinc/06/84/83/605068483.db2.gz ARSAIPRRCOYAPU-LBPRGKRZSA-N -1 1 386.404 2.469 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000833619556 605107756 /nfs/dbraw/zinc/10/77/56/605107756.db2.gz JAMPTTLMDRISAB-PMPSAXMXSA-N -1 1 397.516 2.077 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000833781727 605126400 /nfs/dbraw/zinc/12/64/00/605126400.db2.gz LHVSNNCAPLPCKP-SNVBAGLBSA-N -1 1 382.467 2.010 20 0 GEADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825203500 607735937 /nfs/dbraw/zinc/73/59/37/607735937.db2.gz NGTYAFFOEOTQSQ-WCBMZHEXSA-N -1 1 381.893 2.426 20 0 GEADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825203500 607735938 /nfs/dbraw/zinc/73/59/38/607735938.db2.gz NGTYAFFOEOTQSQ-WCBMZHEXSA-N -1 1 381.893 2.426 20 0 GEADMM CCS(=O)(=O)c1ccc2oc(CN[C@](C)(CNC(=O)[O-])C3CC3)nc2c1 ZINC000827489320 605165165 /nfs/dbraw/zinc/16/51/65/605165165.db2.gz NGGKEZVSBJYMTE-QGZVFWFLSA-N -1 1 381.454 2.147 20 0 GEADMM C[C@H]1CCCCN1CCNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833614009 605185170 /nfs/dbraw/zinc/18/51/70/605185170.db2.gz CYXOFBDOYQUVPD-ZDUSSCGKSA-N -1 1 377.466 2.086 20 0 GEADMM COC(=O)c1cc(CN2CCCN(c3nccs3)CC2)cc(C(=O)[O-])c1 ZINC000833713452 605204160 /nfs/dbraw/zinc/20/41/60/605204160.db2.gz YDNNNDKJDMUBIV-UHFFFAOYSA-N -1 1 375.450 2.340 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000833627556 605206304 /nfs/dbraw/zinc/20/63/04/605206304.db2.gz YNJBWVHNLNGNRJ-INIZCTEOSA-N -1 1 383.448 2.282 20 0 GEADMM COC(=O)c1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])cc(C(=O)OC)c1 ZINC000833713396 605208111 /nfs/dbraw/zinc/20/81/11/605208111.db2.gz WZQFFFALGVPTLZ-SFHVURJKSA-N -1 1 383.400 2.444 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCN1CCC(=O)[O-] ZINC000833626478 605277314 /nfs/dbraw/zinc/27/73/14/605277314.db2.gz WZUAUFKWJBNCFR-CQSZACIVSA-N -1 1 375.469 2.292 20 0 GEADMM Cc1ccc2nc([C@H]3CCCN(C(=O)C[C@@H]4CN(C(=O)[O-])CCO4)C3)[nH]c2c1 ZINC000830432408 605286170 /nfs/dbraw/zinc/28/61/70/605286170.db2.gz FZNWZTWVQJPULE-LSDHHAIUSA-N -1 1 386.452 2.346 20 0 GEADMM O=C([O-])N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000834287595 605377569 /nfs/dbraw/zinc/37/75/69/605377569.db2.gz NTXCTPDSNJEVEG-ZIAGYGMSSA-N -1 1 387.465 2.231 20 0 GEADMM O=C([O-])N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834287595 605377575 /nfs/dbraw/zinc/37/75/75/605377575.db2.gz NTXCTPDSNJEVEG-ZIAGYGMSSA-N -1 1 387.465 2.231 20 0 GEADMM CC1(C)CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824808197 607747780 /nfs/dbraw/zinc/74/77/80/607747780.db2.gz QTFYWVUUBXMUBF-MRXNPFEDSA-N -1 1 384.465 2.254 20 0 GEADMM CC1(C)CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824808197 607747781 /nfs/dbraw/zinc/74/77/81/607747781.db2.gz QTFYWVUUBXMUBF-MRXNPFEDSA-N -1 1 384.465 2.254 20 0 GEADMM CN(C)Cc1cc(CNC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)ccc1F ZINC000828042755 605399479 /nfs/dbraw/zinc/39/94/79/605399479.db2.gz OXPVVLNHZZHEMG-INIZCTEOSA-N -1 1 378.448 2.314 20 0 GEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000833682646 605423795 /nfs/dbraw/zinc/42/37/95/605423795.db2.gz OBXDAIHZMRLMJA-UHFFFAOYSA-N -1 1 392.477 2.483 20 0 GEADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000834024904 605518915 /nfs/dbraw/zinc/51/89/15/605518915.db2.gz GEMJJUIJKIRTJQ-YOEHRIQHSA-N -1 1 381.423 2.435 20 0 GEADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000834241149 605566689 /nfs/dbraw/zinc/56/66/89/605566689.db2.gz PBYQKKGVBGRRBJ-CQSZACIVSA-N -1 1 380.514 2.397 20 0 GEADMM CC1=C(C(=O)[O-])C[C@H](CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)O1 ZINC000833580428 605594638 /nfs/dbraw/zinc/59/46/38/605594638.db2.gz HLUARPORVROYCF-LLVKDONJSA-N -1 1 375.406 2.483 20 0 GEADMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824884325 607767778 /nfs/dbraw/zinc/76/77/78/607767778.db2.gz NIDRCTYMYWRQIJ-WDEREUQCSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824884325 607767779 /nfs/dbraw/zinc/76/77/79/607767779.db2.gz NIDRCTYMYWRQIJ-WDEREUQCSA-N -1 1 392.485 2.304 20 0 GEADMM CCNc1nc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cs1 ZINC000827275766 605650799 /nfs/dbraw/zinc/65/07/99/605650799.db2.gz VAXFSEIKIDDOCQ-UHFFFAOYSA-N -1 1 387.425 2.380 20 0 GEADMM CCNc1nc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cs1 ZINC000827275766 605650800 /nfs/dbraw/zinc/65/08/00/605650800.db2.gz VAXFSEIKIDDOCQ-UHFFFAOYSA-N -1 1 387.425 2.380 20 0 GEADMM O=C([O-])Nc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000834254596 605683898 /nfs/dbraw/zinc/68/38/98/605683898.db2.gz AGLSIGRHHUJARJ-MJGOQNOKSA-N -1 1 383.448 2.389 20 0 GEADMM COC(=O)[C@@H]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)[C@H](C(=O)[O-])C1 ZINC000833707232 605685638 /nfs/dbraw/zinc/68/56/38/605685638.db2.gz KJTGOWRLRIKSDZ-XPKDYRNWSA-N -1 1 380.828 2.171 20 0 GEADMM O=C([O-])N1CC(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000834033829 605767755 /nfs/dbraw/zinc/76/77/55/605767755.db2.gz ODZRQKIQOXHLJZ-INIZCTEOSA-N -1 1 380.876 2.386 20 0 GEADMM O=C([O-])N1CC[C@@](F)(C(=O)OCc2nc3ccc(Br)cc3[nH]2)C1 ZINC000834087107 605782039 /nfs/dbraw/zinc/78/20/39/605782039.db2.gz XEBKAFJIWJCJDJ-AWEZNQCLSA-N -1 1 386.177 2.461 20 0 GEADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000834085828 605813274 /nfs/dbraw/zinc/81/32/74/605813274.db2.gz AKJYMMZEUNRUKO-GOSISDBHSA-N -1 1 393.528 2.118 20 0 GEADMM O=C([O-])N1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834024666 605820476 /nfs/dbraw/zinc/82/04/76/605820476.db2.gz OTXBBYGHORTAMQ-KGLIPLIRSA-N -1 1 376.461 2.104 20 0 GEADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833794804 605821303 /nfs/dbraw/zinc/82/13/03/605821303.db2.gz NNYYZBOWAFZIST-KGLIPLIRSA-N -1 1 378.477 2.253 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000820227489 605937032 /nfs/dbraw/zinc/93/70/32/605937032.db2.gz HGVASLJMZOCPKQ-HOCLYGCPSA-N -1 1 381.432 2.103 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000820227489 605937034 /nfs/dbraw/zinc/93/70/34/605937034.db2.gz HGVASLJMZOCPKQ-HOCLYGCPSA-N -1 1 381.432 2.103 20 0 GEADMM O=C([O-])N1CCC(CC(=O)Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000833988785 605996690 /nfs/dbraw/zinc/99/66/90/605996690.db2.gz XYBQIRSSSBFTFM-UHFFFAOYSA-N -1 1 375.469 2.362 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)O[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cn1 ZINC000834278660 606018375 /nfs/dbraw/zinc/01/83/75/606018375.db2.gz OTJKMCUBLVSQQD-INIZCTEOSA-N -1 1 382.420 2.487 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)O[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cn1 ZINC000834278664 606018567 /nfs/dbraw/zinc/01/85/67/606018567.db2.gz OTJKMCUBLVSQQD-MRXNPFEDSA-N -1 1 382.420 2.487 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H]1CSC(=O)N1 ZINC000823541838 606023480 /nfs/dbraw/zinc/02/34/80/606023480.db2.gz SYHLZCPOZDUAAR-LLVKDONJSA-N -1 1 386.462 2.036 20 0 GEADMM O=C([O-])N1CCC[C@@H](Nc2ccc3[nH]c(CCN4CCOCC4)nc3c2)CC1 ZINC000834109351 606052366 /nfs/dbraw/zinc/05/23/66/606052366.db2.gz YSNZIPGPQIGCAR-OAHLLOKOSA-N -1 1 387.484 2.382 20 0 GEADMM Cc1sc(NC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(-c2nn[nH]n2)c1C ZINC000822558364 606116005 /nfs/dbraw/zinc/11/60/05/606116005.db2.gz PGZGIZZYCNJHNN-GOSISDBHSA-N -1 1 390.513 2.376 20 0 GEADMM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821770794 606132285 /nfs/dbraw/zinc/13/22/85/606132285.db2.gz WVPPIZZGPTZXQN-VIFPVBQESA-N -1 1 388.405 2.374 20 0 GEADMM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821770794 606132287 /nfs/dbraw/zinc/13/22/87/606132287.db2.gz WVPPIZZGPTZXQN-VIFPVBQESA-N -1 1 388.405 2.374 20 0 GEADMM CSc1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821983257 606132461 /nfs/dbraw/zinc/13/24/61/606132461.db2.gz FKWHMHAXIZNZDS-UHFFFAOYSA-N -1 1 375.435 2.446 20 0 GEADMM CSc1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821983257 606132463 /nfs/dbraw/zinc/13/24/63/606132463.db2.gz FKWHMHAXIZNZDS-UHFFFAOYSA-N -1 1 375.435 2.446 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cccc3cnccc32)c(-c2nn[n-]n2)c1C ZINC000822548158 606133182 /nfs/dbraw/zinc/13/31/82/606133182.db2.gz GOCAQUKOYGGTKW-UHFFFAOYSA-N -1 1 392.375 2.420 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820507633 606135462 /nfs/dbraw/zinc/13/54/62/606135462.db2.gz JAOCOAMUWRXACC-GHMZBOCLSA-N -1 1 383.433 2.451 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820507633 606135464 /nfs/dbraw/zinc/13/54/64/606135464.db2.gz JAOCOAMUWRXACC-GHMZBOCLSA-N -1 1 383.433 2.451 20 0 GEADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000820329484 606139022 /nfs/dbraw/zinc/13/90/22/606139022.db2.gz WNNPMWFDCFKYOH-VIFPVBQESA-N -1 1 375.385 2.102 20 0 GEADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000820329484 606139023 /nfs/dbraw/zinc/13/90/23/606139023.db2.gz WNNPMWFDCFKYOH-VIFPVBQESA-N -1 1 375.385 2.102 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ncccc2C)c1-c1nn[n-]n1 ZINC000822369256 606148664 /nfs/dbraw/zinc/14/86/64/606148664.db2.gz DZOBFNGTHPMJJG-UHFFFAOYSA-N -1 1 375.392 2.421 20 0 GEADMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820571244 606155997 /nfs/dbraw/zinc/15/59/97/606155997.db2.gz WORACRCFXUBAIN-VIFPVBQESA-N -1 1 383.441 2.435 20 0 GEADMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820571244 606155998 /nfs/dbraw/zinc/15/59/98/606155998.db2.gz WORACRCFXUBAIN-VIFPVBQESA-N -1 1 383.441 2.435 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000822609395 606157547 /nfs/dbraw/zinc/15/75/47/606157547.db2.gz NEACLXLOTDAACW-LBPRGKRZSA-N -1 1 386.847 2.493 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000822609395 606157549 /nfs/dbraw/zinc/15/75/49/606157549.db2.gz NEACLXLOTDAACW-LBPRGKRZSA-N -1 1 386.847 2.493 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000822608626 606158677 /nfs/dbraw/zinc/15/86/77/606158677.db2.gz FTJZLUVGTHYKJC-NSHDSACASA-N -1 1 393.411 2.153 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000822608626 606158679 /nfs/dbraw/zinc/15/86/79/606158679.db2.gz FTJZLUVGTHYKJC-NSHDSACASA-N -1 1 393.411 2.153 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820380132 606162036 /nfs/dbraw/zinc/16/20/36/606162036.db2.gz LTTIIIVYKPPFLW-MRVPVSSYSA-N -1 1 391.233 2.245 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820380132 606162038 /nfs/dbraw/zinc/16/20/38/606162038.db2.gz LTTIIIVYKPPFLW-MRVPVSSYSA-N -1 1 391.233 2.245 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000821083264 606162204 /nfs/dbraw/zinc/16/22/04/606162204.db2.gz WOTIYUJWZCKRBH-CHWSQXEVSA-N -1 1 376.465 2.048 20 0 GEADMM CCCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000821083264 606162205 /nfs/dbraw/zinc/16/22/05/606162205.db2.gz WOTIYUJWZCKRBH-CHWSQXEVSA-N -1 1 376.465 2.048 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(COC(C)(C)C)c2)n1 ZINC000822620541 606167459 /nfs/dbraw/zinc/16/74/59/606167459.db2.gz VXHBLUAMDSACHW-UHFFFAOYSA-N -1 1 384.444 2.237 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(COC(C)(C)C)c2)n1 ZINC000822620541 606167460 /nfs/dbraw/zinc/16/74/60/606167460.db2.gz VXHBLUAMDSACHW-UHFFFAOYSA-N -1 1 384.444 2.237 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000822609858 606167551 /nfs/dbraw/zinc/16/75/51/606167551.db2.gz XIOIPTQIPQWKLE-UHFFFAOYSA-N -1 1 384.419 2.226 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000822609858 606167553 /nfs/dbraw/zinc/16/75/53/606167553.db2.gz XIOIPTQIPQWKLE-UHFFFAOYSA-N -1 1 384.419 2.226 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Br ZINC000820380533 606169425 /nfs/dbraw/zinc/16/94/25/606169425.db2.gz VYWTYCXLPKYKQT-QMMMGPOBSA-N -1 1 391.233 2.245 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Br ZINC000820380533 606169426 /nfs/dbraw/zinc/16/94/26/606169426.db2.gz VYWTYCXLPKYKQT-QMMMGPOBSA-N -1 1 391.233 2.245 20 0 GEADMM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823073950 606194386 /nfs/dbraw/zinc/19/43/86/606194386.db2.gz FWPKUULZHNLHEN-UHFFFAOYSA-N -1 1 387.783 2.178 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H]1Cc1ccccc1 ZINC000822004585 606197215 /nfs/dbraw/zinc/19/72/15/606197215.db2.gz IZPIVIFMWWJQQB-MRXNPFEDSA-N -1 1 392.463 2.360 20 0 GEADMM O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396763 606205993 /nfs/dbraw/zinc/20/59/93/606205993.db2.gz NFLYQEJNMNLFIE-CQSZACIVSA-N -1 1 397.460 2.176 20 0 GEADMM O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396763 606205994 /nfs/dbraw/zinc/20/59/94/606205994.db2.gz NFLYQEJNMNLFIE-CQSZACIVSA-N -1 1 397.460 2.176 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H]1CCCN(C(C)C)C1=O ZINC000822540767 606227414 /nfs/dbraw/zinc/22/74/14/606227414.db2.gz GNJJWGQVRQMNNO-CYBMUJFWSA-N -1 1 398.423 2.115 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H]1CCCN(C(C)C)C1=O ZINC000822540767 606227416 /nfs/dbraw/zinc/22/74/16/606227416.db2.gz GNJJWGQVRQMNNO-CYBMUJFWSA-N -1 1 398.423 2.115 20 0 GEADMM Cc1cc(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1Br ZINC000822199806 606260382 /nfs/dbraw/zinc/26/03/82/606260382.db2.gz IPLBCTVPRLVZCL-UHFFFAOYSA-N -1 1 390.245 2.242 20 0 GEADMM Cc1cc(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1Br ZINC000822199806 606260384 /nfs/dbraw/zinc/26/03/84/606260384.db2.gz IPLBCTVPRLVZCL-UHFFFAOYSA-N -1 1 390.245 2.242 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933619 606292631 /nfs/dbraw/zinc/29/26/31/606292631.db2.gz XOMCDAZGEKWZBQ-NWDGAFQWSA-N -1 1 388.428 2.204 20 0 GEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nnn1-c1cccc(C)c1 ZINC000822284217 606296660 /nfs/dbraw/zinc/29/66/60/606296660.db2.gz MIXOIHYFKGMRIG-UHFFFAOYSA-N -1 1 376.380 2.022 20 0 GEADMM CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821321429 606395938 /nfs/dbraw/zinc/39/59/38/606395938.db2.gz WUYHWOMEOSWAPS-AWEZNQCLSA-N -1 1 388.453 2.242 20 0 GEADMM COc1ccc([O-])c(C(=O)c2cnn(Cc3cccc(-c4nn[nH]n4)c3)c2)c1 ZINC000821839296 606414427 /nfs/dbraw/zinc/41/44/27/606414427.db2.gz TXFXFVGXLRBIFP-UHFFFAOYSA-N -1 1 376.376 2.057 20 0 GEADMM NC(=O)C1CCN(c2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2)CC1 ZINC000822864976 606463459 /nfs/dbraw/zinc/46/34/59/606463459.db2.gz QZIOLSDGCOHYKT-UHFFFAOYSA-N -1 1 398.858 2.360 20 0 GEADMM NC(=O)C1CCN(c2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2)CC1 ZINC000822864976 606463461 /nfs/dbraw/zinc/46/34/61/606463461.db2.gz QZIOLSDGCOHYKT-UHFFFAOYSA-N -1 1 398.858 2.360 20 0 GEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820925151 606464155 /nfs/dbraw/zinc/46/41/55/606464155.db2.gz FNMBQXFDCMFRNH-GFCCVEGCSA-N -1 1 393.860 2.126 20 0 GEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820925151 606464157 /nfs/dbraw/zinc/46/41/57/606464157.db2.gz FNMBQXFDCMFRNH-GFCCVEGCSA-N -1 1 393.860 2.126 20 0 GEADMM Cc1cc(C)n(Cc2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)n1 ZINC000822199142 606517163 /nfs/dbraw/zinc/51/71/63/606517163.db2.gz XRJLADVNGBROJJ-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM Cc1cc(C)n(Cc2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)n1 ZINC000822199142 606517164 /nfs/dbraw/zinc/51/71/64/606517164.db2.gz XRJLADVNGBROJJ-UHFFFAOYSA-N -1 1 389.419 2.480 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC000822020476 606518561 /nfs/dbraw/zinc/51/85/61/606518561.db2.gz DEVIOOMBQUALFQ-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC000822020476 606518563 /nfs/dbraw/zinc/51/85/63/606518563.db2.gz DEVIOOMBQUALFQ-UHFFFAOYSA-N -1 1 379.355 2.252 20 0 GEADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1=O ZINC000820882306 606532034 /nfs/dbraw/zinc/53/20/34/606532034.db2.gz OTXCJWAXCDYEJB-VXGBXAGGSA-N -1 1 394.439 2.095 20 0 GEADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1=O ZINC000820882306 606532036 /nfs/dbraw/zinc/53/20/36/606532036.db2.gz OTXCJWAXCDYEJB-VXGBXAGGSA-N -1 1 394.439 2.095 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821065786 606534543 /nfs/dbraw/zinc/53/45/43/606534543.db2.gz NDSVUVPJMXATHF-NEPJUHHUSA-N -1 1 376.486 2.085 20 0 GEADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821065786 606534546 /nfs/dbraw/zinc/53/45/46/606534546.db2.gz NDSVUVPJMXATHF-NEPJUHHUSA-N -1 1 376.486 2.085 20 0 GEADMM COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC000821872794 606546051 /nfs/dbraw/zinc/54/60/51/606546051.db2.gz QMUWPUFNKZRQKN-LBPRGKRZSA-N -1 1 384.465 2.193 20 0 GEADMM COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC000821872794 606546053 /nfs/dbraw/zinc/54/60/53/606546053.db2.gz QMUWPUFNKZRQKN-LBPRGKRZSA-N -1 1 384.465 2.193 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820742715 606569251 /nfs/dbraw/zinc/56/92/51/606569251.db2.gz MINBNHXPMUEEMS-QWRGUYRKSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820742715 606569253 /nfs/dbraw/zinc/56/92/53/606569253.db2.gz MINBNHXPMUEEMS-QWRGUYRKSA-N -1 1 392.485 2.304 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154551 606570577 /nfs/dbraw/zinc/57/05/77/606570577.db2.gz GCVNZBSFPXESKF-LLVKDONJSA-N -1 1 388.840 2.117 20 0 GEADMM O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154551 606570579 /nfs/dbraw/zinc/57/05/79/606570579.db2.gz GCVNZBSFPXESKF-LLVKDONJSA-N -1 1 388.840 2.117 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939471 606577154 /nfs/dbraw/zinc/57/71/54/606577154.db2.gz CSTPCLPBSBGGEB-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939471 606577156 /nfs/dbraw/zinc/57/71/56/606577156.db2.gz CSTPCLPBSBGGEB-JTQLQIEISA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939473 606577422 /nfs/dbraw/zinc/57/74/22/606577422.db2.gz CSTPCLPBSBGGEB-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939473 606577423 /nfs/dbraw/zinc/57/74/23/606577423.db2.gz CSTPCLPBSBGGEB-SNVBAGLBSA-N -1 1 378.458 2.058 20 0 GEADMM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000821596745 606577848 /nfs/dbraw/zinc/57/78/48/606577848.db2.gz TYIZYCBCNVMKQN-LLVKDONJSA-N -1 1 392.485 2.400 20 0 GEADMM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000821596745 606577849 /nfs/dbraw/zinc/57/78/49/606577849.db2.gz TYIZYCBCNVMKQN-LLVKDONJSA-N -1 1 392.485 2.400 20 0 GEADMM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821883147 606577925 /nfs/dbraw/zinc/57/79/25/606577925.db2.gz QUFJTCVKWZENFF-SECBINFHSA-N -1 1 397.420 2.478 20 0 GEADMM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821883147 606577927 /nfs/dbraw/zinc/57/79/27/606577927.db2.gz QUFJTCVKWZENFF-SECBINFHSA-N -1 1 397.420 2.478 20 0 GEADMM O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166105 606596728 /nfs/dbraw/zinc/59/67/28/606596728.db2.gz FDLORADOYAWQRI-JTQLQIEISA-N -1 1 383.355 2.410 20 0 GEADMM O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166105 606596730 /nfs/dbraw/zinc/59/67/30/606596730.db2.gz FDLORADOYAWQRI-JTQLQIEISA-N -1 1 383.355 2.410 20 0 GEADMM COc1ccccc1NC(=O)Cc1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821896781 606619901 /nfs/dbraw/zinc/61/99/01/606619901.db2.gz BGHVGOOBBKQOTI-UHFFFAOYSA-N -1 1 383.393 2.168 20 0 GEADMM COc1ccccc1NC(=O)Cc1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821896781 606619903 /nfs/dbraw/zinc/61/99/03/606619903.db2.gz BGHVGOOBBKQOTI-UHFFFAOYSA-N -1 1 383.393 2.168 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000822534890 606622747 /nfs/dbraw/zinc/62/27/47/606622747.db2.gz BEFGDEQWZHUQLC-AWEZNQCLSA-N -1 1 394.391 2.366 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000822534890 606622748 /nfs/dbraw/zinc/62/27/48/606622748.db2.gz BEFGDEQWZHUQLC-AWEZNQCLSA-N -1 1 394.391 2.366 20 0 GEADMM Cc1[nH]c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)c1C(=O)OC(C)C ZINC000822010178 606649573 /nfs/dbraw/zinc/64/95/73/606649573.db2.gz QXDOJHTWMSDWRY-UHFFFAOYSA-N -1 1 384.396 2.129 20 0 GEADMM Cc1[nH]c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)c1C(=O)OC(C)C ZINC000822010178 606649574 /nfs/dbraw/zinc/64/95/74/606649574.db2.gz QXDOJHTWMSDWRY-UHFFFAOYSA-N -1 1 384.396 2.129 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823436270 606650449 /nfs/dbraw/zinc/65/04/49/606650449.db2.gz OFYUMZDPXCWCHB-AWEZNQCLSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823436270 606650450 /nfs/dbraw/zinc/65/04/50/606650450.db2.gz OFYUMZDPXCWCHB-AWEZNQCLSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000823436304 606653142 /nfs/dbraw/zinc/65/31/42/606653142.db2.gz PBLCEDGHPLMFSB-CQSZACIVSA-N -1 1 398.448 2.061 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000823436304 606653143 /nfs/dbraw/zinc/65/31/43/606653143.db2.gz PBLCEDGHPLMFSB-CQSZACIVSA-N -1 1 398.448 2.061 20 0 GEADMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(F)cc1F ZINC000821667985 606668718 /nfs/dbraw/zinc/66/87/18/606668718.db2.gz JXDDOPJJPCCUJI-UHFFFAOYSA-N -1 1 395.272 2.462 20 0 GEADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)c1cccc(OCc2ccccc2)c1 ZINC000823690418 606723622 /nfs/dbraw/zinc/72/36/22/606723622.db2.gz OKAUBDAZFZYXEI-QGZVFWFLSA-N -1 1 389.419 2.381 20 0 GEADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)c1cccc(OCc2ccccc2)c1 ZINC000823690418 606723623 /nfs/dbraw/zinc/72/36/23/606723623.db2.gz OKAUBDAZFZYXEI-QGZVFWFLSA-N -1 1 389.419 2.381 20 0 GEADMM CC[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000820988884 606744968 /nfs/dbraw/zinc/74/49/68/606744968.db2.gz IPUMZSTXQWKVKH-VIFPVBQESA-N -1 1 375.376 2.306 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2c1cccc2Cl ZINC000823606467 606766179 /nfs/dbraw/zinc/76/61/79/606766179.db2.gz HZXAHSXPDGDVNW-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2c(F)cccc21 ZINC000823607938 606766362 /nfs/dbraw/zinc/76/63/62/606766362.db2.gz ZRBYGHCNPNLVLV-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(Cl)s1 ZINC000820804299 606785496 /nfs/dbraw/zinc/78/54/96/606785496.db2.gz PUTDNMYUOBCCDS-SNVBAGLBSA-N -1 1 376.877 2.082 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(Cl)s1 ZINC000820804299 606785498 /nfs/dbraw/zinc/78/54/98/606785498.db2.gz PUTDNMYUOBCCDS-SNVBAGLBSA-N -1 1 376.877 2.082 20 0 GEADMM COC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1F ZINC000821669591 606794958 /nfs/dbraw/zinc/79/49/58/606794958.db2.gz SZMYDVFHJTWUNE-UHFFFAOYSA-N -1 1 379.351 2.156 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2CCOCC2)c1-c1nn[n-]n1 ZINC000821989415 606805270 /nfs/dbraw/zinc/80/52/70/606805270.db2.gz KVOBWECXIIPRGK-SNVBAGLBSA-N -1 1 388.497 2.406 20 0 GEADMM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1C ZINC000821346461 606814130 /nfs/dbraw/zinc/81/41/30/606814130.db2.gz JSKNYBAXKSDUOJ-QMMMGPOBSA-N -1 1 392.466 2.361 20 0 GEADMM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1C ZINC000821346461 606814131 /nfs/dbraw/zinc/81/41/31/606814131.db2.gz JSKNYBAXKSDUOJ-QMMMGPOBSA-N -1 1 392.466 2.361 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000821988828 606814171 /nfs/dbraw/zinc/81/41/71/606814171.db2.gz HRNSIHAOYSYKAY-SFHVURJKSA-N -1 1 386.481 2.114 20 0 GEADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821448731 606818260 /nfs/dbraw/zinc/81/82/60/606818260.db2.gz NNMNDEJIEONGCG-ZJUUUORDSA-N -1 1 394.526 2.435 20 0 GEADMM CN(C)c1ccc(-c2nn[nH]n2)c([N-]S(=O)(=O)C=Cc2ccc(F)cc2)c1 ZINC000821588268 606820391 /nfs/dbraw/zinc/82/03/91/606820391.db2.gz JYYPYIUJESAEHC-MDZDMXLPSA-N -1 1 388.428 2.484 20 0 GEADMM Cc1cc(C)cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822196313 606832298 /nfs/dbraw/zinc/83/22/98/606832298.db2.gz DTGKYBAIPIAUFN-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1cc(C)cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822196313 606832300 /nfs/dbraw/zinc/83/23/00/606832300.db2.gz DTGKYBAIPIAUFN-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM CN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821604864 606842780 /nfs/dbraw/zinc/84/27/80/606842780.db2.gz KNKOKZWZFHAIBR-UHFFFAOYSA-N -1 1 379.392 2.008 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823606199 606845671 /nfs/dbraw/zinc/84/56/71/606845671.db2.gz GHFJERZVYWCQSH-QWHCGFSZSA-N -1 1 383.474 2.055 20 0 GEADMM COC(=O)CSc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821663811 606868032 /nfs/dbraw/zinc/86/80/32/606868032.db2.gz OXVUNSRDSPFVBW-UHFFFAOYSA-N -1 1 376.419 2.413 20 0 GEADMM COC(=O)CSc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821663811 606868033 /nfs/dbraw/zinc/86/80/33/606868033.db2.gz OXVUNSRDSPFVBW-UHFFFAOYSA-N -1 1 376.419 2.413 20 0 GEADMM O[C@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823672757 606877734 /nfs/dbraw/zinc/87/77/34/606877734.db2.gz GUZXMZUDXWEIEX-UKRRQHHQSA-N -1 1 386.843 2.244 20 0 GEADMM O[C@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823672757 606877735 /nfs/dbraw/zinc/87/77/35/606877735.db2.gz GUZXMZUDXWEIEX-UKRRQHHQSA-N -1 1 386.843 2.244 20 0 GEADMM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821882576 606883630 /nfs/dbraw/zinc/88/36/30/606883630.db2.gz FDFYBINOWLERAT-SECBINFHSA-N -1 1 395.391 2.193 20 0 GEADMM Cc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822345165 606885599 /nfs/dbraw/zinc/88/55/99/606885599.db2.gz GTDIFEPDEMRZAF-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM COCC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC000821685667 606897494 /nfs/dbraw/zinc/89/74/94/606897494.db2.gz MDKLJNLJLPATFA-AWEZNQCLSA-N -1 1 377.445 2.121 20 0 GEADMM O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1)OCC1CC1 ZINC000823061133 606944011 /nfs/dbraw/zinc/94/40/11/606944011.db2.gz XIRPILFHWBZKFC-UHFFFAOYSA-N -1 1 375.332 2.031 20 0 GEADMM COC(=O)C[C@H](C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821656836 606952119 /nfs/dbraw/zinc/95/21/19/606952119.db2.gz AJNAVLGUXGBCOY-NSHDSACASA-N -1 1 385.449 2.411 20 0 GEADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000822945782 606953498 /nfs/dbraw/zinc/95/34/98/606953498.db2.gz QQMIBSMOOCEIIG-JTQLQIEISA-N -1 1 389.462 2.104 20 0 GEADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000822945782 606953500 /nfs/dbraw/zinc/95/35/00/606953500.db2.gz QQMIBSMOOCEIIG-JTQLQIEISA-N -1 1 389.462 2.104 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2c[nH]c3ccc(F)cc23)c(-c2nn[n-]n2)c1C ZINC000822549192 606953988 /nfs/dbraw/zinc/95/39/88/606953988.db2.gz VGEYRVQZQRVUGW-UHFFFAOYSA-N -1 1 398.354 2.492 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cccnc2Br)n1 ZINC000819971641 607018301 /nfs/dbraw/zinc/01/83/01/607018301.db2.gz PJHYSZVBHKXVPT-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cccnc2Br)n1 ZINC000819971641 607018303 /nfs/dbraw/zinc/01/83/03/607018303.db2.gz PJHYSZVBHKXVPT-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000821979794 607020558 /nfs/dbraw/zinc/02/05/58/607020558.db2.gz XLZMTQNCNDJGPA-LBPRGKRZSA-N -1 1 392.485 2.014 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000821308855 607032493 /nfs/dbraw/zinc/03/24/93/607032493.db2.gz GKRRCYNPOAGVJP-UHFFFAOYSA-N -1 1 388.453 2.416 20 0 GEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000821309467 607032623 /nfs/dbraw/zinc/03/26/23/607032623.db2.gz OAXHHKLPFYHJJB-UHFFFAOYSA-N -1 1 386.437 2.034 20 0 GEADMM Cc1cccc(C)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822293858 607051758 /nfs/dbraw/zinc/05/17/58/607051758.db2.gz OJDJPEUJNTXURY-UHFFFAOYSA-N -1 1 394.479 2.492 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000822535185 607077256 /nfs/dbraw/zinc/07/72/56/607077256.db2.gz IWJBYWUHZBUFMI-XOBRGWDASA-N -1 1 396.451 2.326 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000822535185 607077257 /nfs/dbraw/zinc/07/72/57/607077257.db2.gz IWJBYWUHZBUFMI-XOBRGWDASA-N -1 1 396.451 2.326 20 0 GEADMM Cn1ccnc1SCc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)o1 ZINC000822698722 607108311 /nfs/dbraw/zinc/10/83/11/607108311.db2.gz CFGKLBFWYJBXHT-UHFFFAOYSA-N -1 1 388.438 2.194 20 0 GEADMM Cn1ccnc1SCc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)o1 ZINC000822698722 607108312 /nfs/dbraw/zinc/10/83/12/607108312.db2.gz CFGKLBFWYJBXHT-UHFFFAOYSA-N -1 1 388.438 2.194 20 0 GEADMM O=C(NC[C@@H](O)C1CC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823167076 607112001 /nfs/dbraw/zinc/11/20/01/607112001.db2.gz WBYJTDHFXYCOCP-OAHLLOKOSA-N -1 1 383.383 2.299 20 0 GEADMM O=C(NC[C@@H](O)C1CC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823167076 607112003 /nfs/dbraw/zinc/11/20/03/607112003.db2.gz WBYJTDHFXYCOCP-OAHLLOKOSA-N -1 1 383.383 2.299 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)COc1ccc(Cl)cc1 ZINC000823027555 607113895 /nfs/dbraw/zinc/11/38/95/607113895.db2.gz WUTUWJIETGPHDV-UHFFFAOYSA-N -1 1 378.797 2.387 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)COc1ccc(Cl)cc1 ZINC000823027555 607113896 /nfs/dbraw/zinc/11/38/96/607113896.db2.gz WUTUWJIETGPHDV-UHFFFAOYSA-N -1 1 378.797 2.387 20 0 GEADMM Cc1ncsc1-c1nc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)no1 ZINC000822427842 607157784 /nfs/dbraw/zinc/15/77/84/607157784.db2.gz XFOFTSINFVPGMJ-UHFFFAOYSA-N -1 1 387.454 2.381 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccn(CCC(C)C)n2)cc1-c1nn[n-]n1 ZINC000821976519 607159900 /nfs/dbraw/zinc/15/99/00/607159900.db2.gz BJEJJIDMHXZQDS-UHFFFAOYSA-N -1 1 388.457 2.184 20 0 GEADMM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)C1 ZINC000820697635 607211155 /nfs/dbraw/zinc/21/11/55/607211155.db2.gz JUDWWHSLHMAGCM-BBRMVZONSA-N -1 1 396.455 2.192 20 0 GEADMM CCCCCCOCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821056620 607211335 /nfs/dbraw/zinc/21/13/35/607211335.db2.gz UPJJMJGDWBBNMN-UHFFFAOYSA-N -1 1 384.444 2.194 20 0 GEADMM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821139361 607220797 /nfs/dbraw/zinc/22/07/97/607220797.db2.gz VLHSTEFFTGPONE-OAHLLOKOSA-N -1 1 398.471 2.151 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nccn2C(F)F)c2ccc(Cl)cc12 ZINC000823657590 607237740 /nfs/dbraw/zinc/23/77/40/607237740.db2.gz SACCRWPDTPSEBH-UHFFFAOYSA-N -1 1 377.742 2.475 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2cc(F)c(F)cc2F)n1 ZINC000819971051 607238545 /nfs/dbraw/zinc/23/85/45/607238545.db2.gz CJFADVYRQDARLV-UHFFFAOYSA-N -1 1 379.346 2.417 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2cc(F)c(F)cc2F)n1 ZINC000819971051 607238546 /nfs/dbraw/zinc/23/85/46/607238546.db2.gz CJFADVYRQDARLV-UHFFFAOYSA-N -1 1 379.346 2.417 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1Cl ZINC000753778124 607809162 /nfs/dbraw/zinc/80/91/62/607809162.db2.gz LBNRGVGMEUBPBH-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM c1ccc2c(c1)CC[C@]21CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000826523657 607811636 /nfs/dbraw/zinc/81/16/36/607811636.db2.gz SRDXJYABJXAWGC-NRFANRHFSA-N -1 1 385.431 2.488 20 0 GEADMM c1ccc2c(c1)CC[C@]21CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000826523657 607811637 /nfs/dbraw/zinc/81/16/37/607811637.db2.gz SRDXJYABJXAWGC-NRFANRHFSA-N -1 1 385.431 2.488 20 0 GEADMM OC[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826507511 607821114 /nfs/dbraw/zinc/82/11/14/607821114.db2.gz QBBMAIFBPKDAHZ-AUUYWEPGSA-N -1 1 376.420 2.311 20 0 GEADMM OC[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826507511 607821115 /nfs/dbraw/zinc/82/11/15/607821115.db2.gz QBBMAIFBPKDAHZ-AUUYWEPGSA-N -1 1 376.420 2.311 20 0 GEADMM CCOC(=O)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](C)c1ccccc1 ZINC000825512067 607824268 /nfs/dbraw/zinc/82/42/68/607824268.db2.gz RQUFQLWXAKLLGC-CYBMUJFWSA-N -1 1 380.408 2.028 20 0 GEADMM CCOC(=O)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](C)c1ccccc1 ZINC000825512067 607824269 /nfs/dbraw/zinc/82/42/69/607824269.db2.gz RQUFQLWXAKLLGC-CYBMUJFWSA-N -1 1 380.408 2.028 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826341150 607825142 /nfs/dbraw/zinc/82/51/42/607825142.db2.gz YGOFOZKAVSZBHD-MAZHCROVSA-N -1 1 394.435 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826341150 607825143 /nfs/dbraw/zinc/82/51/43/607825143.db2.gz YGOFOZKAVSZBHD-MAZHCROVSA-N -1 1 394.435 2.246 20 0 GEADMM CCOc1ccccc1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825654190 607847569 /nfs/dbraw/zinc/84/75/69/607847569.db2.gz QVZBUCYCTBYWPA-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CC(C)Oc1cccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824333773 607864227 /nfs/dbraw/zinc/86/42/27/607864227.db2.gz LZRUUFWCZMGKQC-UHFFFAOYSA-N -1 1 385.399 2.488 20 0 GEADMM CC(C)Oc1cccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824333773 607864228 /nfs/dbraw/zinc/86/42/28/607864228.db2.gz LZRUUFWCZMGKQC-UHFFFAOYSA-N -1 1 385.399 2.488 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826291313 607864305 /nfs/dbraw/zinc/86/43/05/607864305.db2.gz ZDXWWCAANQORIA-UHFFFAOYSA-N -1 1 384.371 2.350 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826291313 607864306 /nfs/dbraw/zinc/86/43/06/607864306.db2.gz ZDXWWCAANQORIA-UHFFFAOYSA-N -1 1 384.371 2.350 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826190153 607900106 /nfs/dbraw/zinc/90/01/06/607900106.db2.gz RJLLHKPUADITLB-HNNXBMFYSA-N -1 1 379.424 2.186 20 0 GEADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826190153 607900107 /nfs/dbraw/zinc/90/01/07/607900107.db2.gz RJLLHKPUADITLB-HNNXBMFYSA-N -1 1 379.424 2.186 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CC=C(C(F)(F)F)CC2)cc1-c1nn[n-]n1 ZINC000826229973 607962506 /nfs/dbraw/zinc/96/25/06/607962506.db2.gz YWOCUWQQVZIGQH-UHFFFAOYSA-N -1 1 386.359 2.024 20 0 GEADMM Cc1nn(C[C@H](O)c2ccc(Cl)cc2Cl)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334381 607982053 /nfs/dbraw/zinc/98/20/53/607982053.db2.gz SGCZPAJEZOUHPA-LBPRGKRZSA-N -1 1 381.223 2.081 20 0 GEADMM Cc1ccc2nc(CSCC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cn2c1 ZINC000826295595 607996933 /nfs/dbraw/zinc/99/69/33/607996933.db2.gz OPIJIKYNDRTYQF-UHFFFAOYSA-N -1 1 395.448 2.400 20 0 GEADMM C[C@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCN1C(=O)c1ccccc1 ZINC000824783090 607997209 /nfs/dbraw/zinc/99/72/09/607997209.db2.gz CBNQGHRXVXSINS-HXUWFJFHSA-N -1 1 392.419 2.206 20 0 GEADMM Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])C2=O)c1 ZINC000826264076 607998113 /nfs/dbraw/zinc/99/81/13/607998113.db2.gz BCJZYSIPNJGGDK-OAHLLOKOSA-N -1 1 392.419 2.181 20 0 GEADMM C[C@@](O)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000824669897 607999120 /nfs/dbraw/zinc/99/91/20/607999120.db2.gz HXAHQYHWBQINFZ-INIZCTEOSA-N -1 1 393.325 2.437 20 0 GEADMM CC(C)CC(=O)N[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000824229137 607999148 /nfs/dbraw/zinc/99/91/48/607999148.db2.gz OIPYYMHCYHSBHD-SFHVURJKSA-N -1 1 394.435 2.414 20 0 GEADMM CC[C@H](C)N(OC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825067822 607999870 /nfs/dbraw/zinc/99/98/70/607999870.db2.gz NRMLAAWMYFUNFH-QMMMGPOBSA-N -1 1 379.364 2.236 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(Br)cc1Cl ZINC000826425278 608013167 /nfs/dbraw/zinc/01/31/67/608013167.db2.gz WTHUFUFTVSYKMU-UHFFFAOYSA-N -1 1 382.609 2.118 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(Br)cc1Cl ZINC000826425278 608013168 /nfs/dbraw/zinc/01/31/68/608013168.db2.gz WTHUFUFTVSYKMU-UHFFFAOYSA-N -1 1 382.609 2.118 20 0 GEADMM Cc1nn(-c2ccccc2)c(Cn2cnc(C3CCC3)cc2=O)c1-c1nn[n-]n1 ZINC000826332851 608023764 /nfs/dbraw/zinc/02/37/64/608023764.db2.gz KHZBDLKNCGIVLW-UHFFFAOYSA-N -1 1 388.435 2.233 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826333078 608030083 /nfs/dbraw/zinc/03/00/83/608030083.db2.gz SPCQCXOZXWARMB-LRDDRELGSA-N -1 1 394.435 2.409 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826333079 608030163 /nfs/dbraw/zinc/03/01/63/608030163.db2.gz SPCQCXOZXWARMB-MLGOLLRUSA-N -1 1 394.435 2.409 20 0 GEADMM CCOC(=O)CC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825506249 608031869 /nfs/dbraw/zinc/03/18/69/608031869.db2.gz IVBQQYMNPNCSDB-NSHDSACASA-N -1 1 386.412 2.020 20 0 GEADMM CCOC(=O)CC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825506249 608031870 /nfs/dbraw/zinc/03/18/70/608031870.db2.gz IVBQQYMNPNCSDB-NSHDSACASA-N -1 1 386.412 2.020 20 0 GEADMM O=C(CN[C@H](c1ccccc1)C(F)(F)F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826412423 608058551 /nfs/dbraw/zinc/05/85/51/608058551.db2.gz NLCLKHPSCWUJDP-OAHLLOKOSA-N -1 1 392.341 2.198 20 0 GEADMM O=C(CN[C@H](c1ccccc1)C(F)(F)F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826412423 608058552 /nfs/dbraw/zinc/05/85/52/608058552.db2.gz NLCLKHPSCWUJDP-OAHLLOKOSA-N -1 1 392.341 2.198 20 0 GEADMM O=C(c1c([O-])cccc1Cl)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826469149 608081378 /nfs/dbraw/zinc/08/13/78/608081378.db2.gz WKAXGFGPDTYOJI-HNNXBMFYSA-N -1 1 385.811 2.439 20 0 GEADMM Cc1oc(NC(=O)CN2CCN(c3ccc(C)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000826290339 608124671 /nfs/dbraw/zinc/12/46/71/608124671.db2.gz JWCUDDNYJODEOV-UHFFFAOYSA-N -1 1 395.467 2.146 20 0 GEADMM Cc1cccc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC000826297367 608125149 /nfs/dbraw/zinc/12/51/49/608125149.db2.gz FDUYEXFOGLUNQO-CQSZACIVSA-N -1 1 387.440 2.492 20 0 GEADMM C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1nccs1 ZINC000824413057 608126934 /nfs/dbraw/zinc/12/69/34/608126934.db2.gz ITUCOXKZCWHGQC-VIFPVBQESA-N -1 1 398.901 2.401 20 0 GEADMM C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1nccs1 ZINC000824413057 608126935 /nfs/dbraw/zinc/12/69/35/608126935.db2.gz ITUCOXKZCWHGQC-VIFPVBQESA-N -1 1 398.901 2.401 20 0 GEADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1Cl ZINC000826117136 608146887 /nfs/dbraw/zinc/14/68/87/608146887.db2.gz HZCGUGSNPZHJII-ZDUSSCGKSA-N -1 1 391.746 2.125 20 0 GEADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1Cl ZINC000826117136 608146888 /nfs/dbraw/zinc/14/68/88/608146888.db2.gz HZCGUGSNPZHJII-ZDUSSCGKSA-N -1 1 391.746 2.125 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000826424974 608147432 /nfs/dbraw/zinc/14/74/32/608147432.db2.gz KSIJTZPMGGWXOP-UHFFFAOYSA-N -1 1 388.363 2.104 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000826424974 608147434 /nfs/dbraw/zinc/14/74/34/608147434.db2.gz KSIJTZPMGGWXOP-UHFFFAOYSA-N -1 1 388.363 2.104 20 0 GEADMM O=C(NC1CCCCC1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826429842 608174565 /nfs/dbraw/zinc/17/45/65/608174565.db2.gz OMRJCKJPUMANDC-UHFFFAOYSA-N -1 1 396.908 2.141 20 0 GEADMM O=C(NC1CCCCC1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826429842 608174567 /nfs/dbraw/zinc/17/45/67/608174567.db2.gz OMRJCKJPUMANDC-UHFFFAOYSA-N -1 1 396.908 2.141 20 0 GEADMM O=C1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CN1c1c(F)cccc1F ZINC000826479451 608197536 /nfs/dbraw/zinc/19/75/36/608197536.db2.gz YWPPZKKOKWWYTP-LURJTMIESA-N -1 1 397.798 2.472 20 0 GEADMM O=C1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CN1c1c(F)cccc1F ZINC000826479451 608197538 /nfs/dbraw/zinc/19/75/38/608197538.db2.gz YWPPZKKOKWWYTP-LURJTMIESA-N -1 1 397.798 2.472 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1c1c(F)cccc1F ZINC000826478865 608197990 /nfs/dbraw/zinc/19/79/90/608197990.db2.gz KUMBLKHVZJJFCA-QMMMGPOBSA-N -1 1 391.769 2.411 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1c1c(F)cccc1F ZINC000826478865 608197992 /nfs/dbraw/zinc/19/79/92/608197992.db2.gz KUMBLKHVZJJFCA-QMMMGPOBSA-N -1 1 391.769 2.411 20 0 GEADMM CCC1(CO)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000825170621 608208320 /nfs/dbraw/zinc/20/83/20/608208320.db2.gz DXCGRPYNORKOHC-UHFFFAOYSA-N -1 1 384.440 2.184 20 0 GEADMM CCC1(CO)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000825170621 608208322 /nfs/dbraw/zinc/20/83/22/608208322.db2.gz DXCGRPYNORKOHC-UHFFFAOYSA-N -1 1 384.440 2.184 20 0 GEADMM CC(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC12CCCCC2 ZINC000823981769 608231147 /nfs/dbraw/zinc/23/11/47/608231147.db2.gz RABPIGRXHZTAPY-UHFFFAOYSA-N -1 1 392.467 2.181 20 0 GEADMM CC(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC12CCCCC2 ZINC000823981769 608231149 /nfs/dbraw/zinc/23/11/49/608231149.db2.gz RABPIGRXHZTAPY-UHFFFAOYSA-N -1 1 392.467 2.181 20 0 GEADMM CCc1ccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000825705185 608265576 /nfs/dbraw/zinc/26/55/76/608265576.db2.gz YEGLXABIWLFOTI-UHFFFAOYSA-N -1 1 378.440 2.484 20 0 GEADMM CCc1ccc(C2=CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000825705185 608265578 /nfs/dbraw/zinc/26/55/78/608265578.db2.gz YEGLXABIWLFOTI-UHFFFAOYSA-N -1 1 378.440 2.484 20 0 GEADMM CS(=O)(=O)C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826222139 608293032 /nfs/dbraw/zinc/29/30/32/608293032.db2.gz KSOBQKBTNNIXKK-SECBINFHSA-N -1 1 384.874 2.174 20 0 GEADMM CS(=O)(=O)C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826222139 608293033 /nfs/dbraw/zinc/29/30/33/608293033.db2.gz KSOBQKBTNNIXKK-SECBINFHSA-N -1 1 384.874 2.174 20 0 GEADMM CC1(C)c2ccccc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824817548 608307665 /nfs/dbraw/zinc/30/76/65/608307665.db2.gz OSRFJVNPEGOWII-UHFFFAOYSA-N -1 1 387.440 2.488 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCc2nnc(C)s2)c1-c1nnn[n-]1 ZINC000826231550 608318660 /nfs/dbraw/zinc/31/86/60/608318660.db2.gz PNSXHHIOTLZWDA-UHFFFAOYSA-N -1 1 389.466 2.378 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCc2nnc(C)s2)c1-c1nn[n-]n1 ZINC000826231550 608318662 /nfs/dbraw/zinc/31/86/62/608318662.db2.gz PNSXHHIOTLZWDA-UHFFFAOYSA-N -1 1 389.466 2.378 20 0 GEADMM CC(=O)N1CCC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000823972628 608347983 /nfs/dbraw/zinc/34/79/83/608347983.db2.gz DCEPSQCSOJFDRD-NSHDSACASA-N -1 1 376.486 2.423 20 0 GEADMM CC(=O)N1CCC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000823972628 608347985 /nfs/dbraw/zinc/34/79/85/608347985.db2.gz DCEPSQCSOJFDRD-NSHDSACASA-N -1 1 376.486 2.423 20 0 GEADMM CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1 ZINC000824364897 608365113 /nfs/dbraw/zinc/36/51/13/608365113.db2.gz UWSVRPIYPLMMHE-UHFFFAOYSA-N -1 1 387.473 2.034 20 0 GEADMM NC(=O)[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)Cc1ccc(F)cc1 ZINC000826389196 608377843 /nfs/dbraw/zinc/37/78/43/608377843.db2.gz RUDOBCJAIYXBOE-CYBMUJFWSA-N -1 1 391.410 2.310 20 0 GEADMM NC(=O)[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)Cc1ccc(F)cc1 ZINC000826389196 608377845 /nfs/dbraw/zinc/37/78/45/608377845.db2.gz RUDOBCJAIYXBOE-CYBMUJFWSA-N -1 1 391.410 2.310 20 0 GEADMM COc1ccc(Nc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)cc1 ZINC000826210164 608390326 /nfs/dbraw/zinc/39/03/26/608390326.db2.gz HDXRMFQURKYHEZ-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM COc1ccc(Nc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)cc1 ZINC000826210164 608390327 /nfs/dbraw/zinc/39/03/27/608390327.db2.gz HDXRMFQURKYHEZ-UHFFFAOYSA-N -1 1 385.438 2.412 20 0 GEADMM Clc1ccc(OCc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)o2)cc1 ZINC000826352617 608393790 /nfs/dbraw/zinc/39/37/90/608393790.db2.gz HZDDLWGHSLSLSC-UHFFFAOYSA-N -1 1 388.800 2.423 20 0 GEADMM Clc1ccc(OCc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)o2)cc1 ZINC000826352617 608393791 /nfs/dbraw/zinc/39/37/91/608393791.db2.gz HZDDLWGHSLSLSC-UHFFFAOYSA-N -1 1 388.800 2.423 20 0 GEADMM Fc1ccc(CN(CCc2ccccn2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826374426 608434557 /nfs/dbraw/zinc/43/45/57/608434557.db2.gz YNDQDAHKQCWGIK-UHFFFAOYSA-N -1 1 376.399 2.440 20 0 GEADMM Fc1ccc(CN(CCc2ccccn2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826374426 608434559 /nfs/dbraw/zinc/43/45/59/608434559.db2.gz YNDQDAHKQCWGIK-UHFFFAOYSA-N -1 1 376.399 2.440 20 0 GEADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825148845 608436905 /nfs/dbraw/zinc/43/69/05/608436905.db2.gz URLXVSMGSRUWMO-WMLDXEAASA-N -1 1 376.428 2.037 20 0 GEADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825148845 608436906 /nfs/dbraw/zinc/43/69/06/608436906.db2.gz URLXVSMGSRUWMO-WMLDXEAASA-N -1 1 376.428 2.037 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2cccc(F)c2C1 ZINC000826494913 608448798 /nfs/dbraw/zinc/44/87/98/608448798.db2.gz UUXRKKOKTLVLBC-UHFFFAOYSA-N -1 1 393.831 2.406 20 0 GEADMM Cc1ccc(S(=O)(=O)CCCOC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826292609 608450975 /nfs/dbraw/zinc/45/09/75/608450975.db2.gz CRZUJIJQUMXETH-UHFFFAOYSA-N -1 1 392.462 2.257 20 0 GEADMM Cc1ccc(S(=O)(=O)CCCOC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826292609 608450978 /nfs/dbraw/zinc/45/09/78/608450978.db2.gz CRZUJIJQUMXETH-UHFFFAOYSA-N -1 1 392.462 2.257 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000825930796 608557878 /nfs/dbraw/zinc/55/78/78/608557878.db2.gz ZWMYTUPRHJADJP-UHFFFAOYSA-N -1 1 396.499 2.103 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000825930796 608557880 /nfs/dbraw/zinc/55/78/80/608557880.db2.gz ZWMYTUPRHJADJP-UHFFFAOYSA-N -1 1 396.499 2.103 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1C(C)(C)C ZINC000825933287 608558187 /nfs/dbraw/zinc/55/81/87/608558187.db2.gz AQCXGUOMSYDGOZ-UHFFFAOYSA-N -1 1 382.472 2.174 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1C(C)(C)C ZINC000825933287 608558188 /nfs/dbraw/zinc/55/81/88/608558188.db2.gz AQCXGUOMSYDGOZ-UHFFFAOYSA-N -1 1 382.472 2.174 20 0 GEADMM COc1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc(OC)c1Br ZINC000826180972 608587937 /nfs/dbraw/zinc/58/79/37/608587937.db2.gz GJAAYVZGSARWIQ-UHFFFAOYSA-N -1 1 378.190 2.180 20 0 GEADMM COc1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc(OC)c1Br ZINC000826180972 608587938 /nfs/dbraw/zinc/58/79/38/608587938.db2.gz GJAAYVZGSARWIQ-UHFFFAOYSA-N -1 1 378.190 2.180 20 0 GEADMM O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826470185 608665179 /nfs/dbraw/zinc/66/51/79/608665179.db2.gz GYTXEXAZRYVUJT-UHFFFAOYSA-N -1 1 393.476 2.368 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000826424798 608890741 /nfs/dbraw/zinc/89/07/41/608890741.db2.gz DFDUYNMBNXFHAR-UHFFFAOYSA-N -1 1 394.420 2.016 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000826424798 608890745 /nfs/dbraw/zinc/89/07/45/608890745.db2.gz DFDUYNMBNXFHAR-UHFFFAOYSA-N -1 1 394.420 2.016 20 0 GEADMM C[C@H]1C[C@H](C)CN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824875316 609277991 /nfs/dbraw/zinc/27/79/91/609277991.db2.gz LGRCGFDXIOLSJL-STQMWFEESA-N -1 1 398.446 2.108 20 0 GEADMM O=C(CC[C@@H]1CCCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826405888 609289363 /nfs/dbraw/zinc/28/93/63/609289363.db2.gz YBMKBDZOAYUOIH-LBPRGKRZSA-N -1 1 385.403 2.479 20 0 GEADMM CCOc1ncccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825659101 609290538 /nfs/dbraw/zinc/29/05/38/609290538.db2.gz OFXRBTBXFCHFLB-UHFFFAOYSA-N -1 1 394.370 2.238 20 0 GEADMM O=S(=O)([N-]c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2 ZINC000826493109 609308746 /nfs/dbraw/zinc/30/87/46/609308746.db2.gz UHYSMPAGHFQWIY-UHFFFAOYSA-N -1 1 379.785 2.050 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2cccnn21 ZINC000826458486 609312404 /nfs/dbraw/zinc/31/24/04/609312404.db2.gz ROHXJGPPMWBPAP-UHFFFAOYSA-N -1 1 389.354 2.092 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1-c1ccc(Cl)cc1 ZINC000826261008 609325704 /nfs/dbraw/zinc/32/57/04/609325704.db2.gz NKOZNZZKDKCHRQ-UHFFFAOYSA-N -1 1 383.803 2.000 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1-c1ccc(Cl)cc1 ZINC000826261008 609325706 /nfs/dbraw/zinc/32/57/06/609325706.db2.gz NKOZNZZKDKCHRQ-UHFFFAOYSA-N -1 1 383.803 2.000 20 0 GEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1F ZINC000824962182 609330678 /nfs/dbraw/zinc/33/06/78/609330678.db2.gz PPTALAZDHSZAOE-LDYMZIIASA-N -1 1 393.366 2.254 20 0 GEADMM COCCC[C@H](C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826155677 609354089 /nfs/dbraw/zinc/35/40/89/609354089.db2.gz YCFJGLPPUMNXGK-ZDUSSCGKSA-N -1 1 384.440 2.467 20 0 GEADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc[nH]1 ZINC000824506264 609360813 /nfs/dbraw/zinc/36/08/13/609360813.db2.gz NCWIUOLCKAWLQG-JTQLQIEISA-N -1 1 381.375 2.402 20 0 GEADMM Cc1noc(C)c1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826338854 609361642 /nfs/dbraw/zinc/36/16/42/609361642.db2.gz KAEMURGZXBADPL-UHFFFAOYSA-N -1 1 397.374 2.118 20 0 GEADMM Cc1nc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000826326277 609364584 /nfs/dbraw/zinc/36/45/84/609364584.db2.gz IPXAWVSITABJBJ-UHFFFAOYSA-N -1 1 399.415 2.278 20 0 GEADMM COc1cc(Br)cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826177075 609467610 /nfs/dbraw/zinc/46/76/10/609467610.db2.gz QKDQUWQPDKEBOR-UHFFFAOYSA-N -1 1 393.201 2.115 20 0 GEADMM COc1cc(Br)cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826177075 609467612 /nfs/dbraw/zinc/46/76/12/609467612.db2.gz QKDQUWQPDKEBOR-UHFFFAOYSA-N -1 1 393.201 2.115 20 0 GEADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000826180936 609530493 /nfs/dbraw/zinc/53/04/93/609530493.db2.gz DOZMEPQAOVJIEB-UHFFFAOYSA-N -1 1 381.801 2.035 20 0 GEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824910712 609586367 /nfs/dbraw/zinc/58/63/67/609586367.db2.gz YGVPACIIESVGJZ-DTWKUNHWSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824908397 609586586 /nfs/dbraw/zinc/58/65/86/609586586.db2.gz OMZNQCOUFHGSTK-BDAKNGLRSA-N -1 1 393.366 2.357 20 0 GEADMM C[C@H]1C[C@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824882377 609612025 /nfs/dbraw/zinc/61/20/25/609612025.db2.gz ARGBTLPMMODIHE-WDEREUQCSA-N -1 1 385.877 2.004 20 0 GEADMM C[C@H]1C[C@H](CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824882377 609612026 /nfs/dbraw/zinc/61/20/26/609612026.db2.gz ARGBTLPMMODIHE-WDEREUQCSA-N -1 1 385.877 2.004 20 0 GEADMM CCC[C@H]1C[C@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825251829 609625025 /nfs/dbraw/zinc/62/50/25/609625025.db2.gz DKEPYERBSRXBSI-OLZOCXBDSA-N -1 1 391.428 2.154 20 0 GEADMM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cccc1N1CCNC1=O ZINC000447257853 650004268 /nfs/dbraw/zinc/00/42/68/650004268.db2.gz BOFBLLNZISULRA-UHFFFAOYSA-N -1 1 381.435 2.085 20 0 GEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cnc(C)s3)n2)c(OC)c1 ZINC000447496876 650006984 /nfs/dbraw/zinc/00/69/84/650006984.db2.gz CUOSZKXDBFGYJO-UHFFFAOYSA-N -1 1 380.451 2.228 20 0 GEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3cnc(C)s3)n[n-]2)c(OC)c1 ZINC000447496876 650006986 /nfs/dbraw/zinc/00/69/86/650006986.db2.gz CUOSZKXDBFGYJO-UHFFFAOYSA-N -1 1 380.451 2.228 20 0 GEADMM COc1cc(Br)c(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000449924693 650056003 /nfs/dbraw/zinc/05/60/03/650056003.db2.gz ITGFYHVUEWQTFP-UHFFFAOYSA-N -1 1 396.245 2.179 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)cc1 ZINC000451080157 650084452 /nfs/dbraw/zinc/08/44/52/650084452.db2.gz JXDWBXOBDRFIHQ-UHFFFAOYSA-N -1 1 380.491 2.274 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(F)F ZINC000451090560 650085229 /nfs/dbraw/zinc/08/52/29/650085229.db2.gz ZZZBNWYPKUBJOW-SNVBAGLBSA-N -1 1 384.832 2.372 20 0 GEADMM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451399394 650110995 /nfs/dbraw/zinc/11/09/95/650110995.db2.gz VSFWCZYIJLHSJD-AWEZNQCLSA-N -1 1 377.871 2.147 20 0 GEADMM CC[C@@]([N-]S(=O)(=O)C1(COC)CC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000451527151 650123447 /nfs/dbraw/zinc/12/34/47/650123447.db2.gz JOTOQOGTYWBXCV-INIZCTEOSA-N -1 1 375.874 2.217 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C(C)(C)COC)c(F)c1 ZINC000451570980 650126469 /nfs/dbraw/zinc/12/64/69/650126469.db2.gz AIZLQHTVDWHVLX-UHFFFAOYSA-N -1 1 396.506 2.023 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(C)(F)F ZINC000451685211 650133150 /nfs/dbraw/zinc/13/31/50/650133150.db2.gz BMNCPPHBWAMONX-LURJTMIESA-N -1 1 399.213 2.102 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(C)(F)F ZINC000451685213 650133216 /nfs/dbraw/zinc/13/32/16/650133216.db2.gz BMNCPPHBWAMONX-ZCFIWIBFSA-N -1 1 399.213 2.102 20 0 GEADMM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cnn2C)sc1Br ZINC000451660911 650130145 /nfs/dbraw/zinc/13/01/45/650130145.db2.gz GZLKNIULOSCJDV-UHFFFAOYSA-N -1 1 385.696 2.079 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](SC)C2)c(F)c1 ZINC000451736095 650137303 /nfs/dbraw/zinc/13/73/03/650137303.db2.gz NNRBPOZGWZNSMI-LBPRGKRZSA-N -1 1 396.531 2.103 20 0 GEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCc2c1ccc(F)c2Br ZINC000451908569 650152211 /nfs/dbraw/zinc/15/22/11/650152211.db2.gz JGFZCOABIMLQMI-JTQLQIEISA-N -1 1 390.234 2.433 20 0 GEADMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOCC1 ZINC000451943906 650156172 /nfs/dbraw/zinc/15/61/72/650156172.db2.gz LPFZTPBYSXXCTP-UHFFFAOYSA-N -1 1 386.228 2.133 20 0 GEADMM CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000452891542 650200543 /nfs/dbraw/zinc/20/05/43/650200543.db2.gz VOAVHFDWBBAYRY-GXFFZTMASA-N -1 1 395.308 2.155 20 0 GEADMM O=C(NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1cncc([O-])c1 ZINC000458122727 650396233 /nfs/dbraw/zinc/39/62/33/650396233.db2.gz ZXHRAPQLWLPVDQ-LLVKDONJSA-N -1 1 383.217 2.270 20 0 GEADMM CN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1=O ZINC000502418257 650405900 /nfs/dbraw/zinc/40/59/00/650405900.db2.gz DKRFPAQGHSMJGJ-SNVBAGLBSA-N -1 1 399.669 2.141 20 0 GEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cnc(-c3ccccn3)s2)s1 ZINC000505079607 650434479 /nfs/dbraw/zinc/43/44/79/650434479.db2.gz IHUJIOSPOWKNIZ-UHFFFAOYSA-N -1 1 375.435 2.415 20 0 GEADMM CN(C)Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)no1 ZINC000460540034 650443369 /nfs/dbraw/zinc/44/33/69/650443369.db2.gz QVHHRYPUAGNQNZ-UHFFFAOYSA-N -1 1 376.841 2.137 20 0 GEADMM O=C1CN(Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CCN1 ZINC000461219913 650451027 /nfs/dbraw/zinc/45/10/27/650451027.db2.gz NCZOVMWYMCOQQI-UHFFFAOYSA-N -1 1 379.869 2.073 20 0 GEADMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000507023506 650453534 /nfs/dbraw/zinc/45/35/34/650453534.db2.gz VVNQGDFZJFXQKE-UHFFFAOYSA-N -1 1 384.479 2.184 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2c(F)ccc(Br)c2F)n1 ZINC000506943045 650452315 /nfs/dbraw/zinc/45/23/15/650452315.db2.gz CPKVDZLIDPRWLB-UHFFFAOYSA-N -1 1 395.181 2.211 20 0 GEADMM CCc1ncc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)F)s1 ZINC000460952693 650448776 /nfs/dbraw/zinc/44/87/76/650448776.db2.gz PZFMROOJGJXYFX-BXUZGUMPSA-N -1 1 376.450 2.221 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000461449033 650454216 /nfs/dbraw/zinc/45/42/16/650454216.db2.gz RFTNGFVIRNIWDP-GFCCVEGCSA-N -1 1 382.825 2.068 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(Br)c2)c1 ZINC000461459737 650454345 /nfs/dbraw/zinc/45/43/45/650454345.db2.gz GPLSVVLIRHVGRH-UHFFFAOYSA-N -1 1 391.268 2.377 20 0 GEADMM CCO[C@H](C)c1ncc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])s1 ZINC000461466524 650455114 /nfs/dbraw/zinc/45/51/14/650455114.db2.gz VQDQTLHVFJDQMB-SECBINFHSA-N -1 1 385.467 2.107 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC000461467299 650455124 /nfs/dbraw/zinc/45/51/24/650455124.db2.gz YWFJHPKLTILCLR-UHFFFAOYSA-N -1 1 379.419 2.269 20 0 GEADMM CC(C)(NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1nn[n-]n1 ZINC000461632118 650457482 /nfs/dbraw/zinc/45/74/82/650457482.db2.gz DDCRRALCPCVXMS-UHFFFAOYSA-N -1 1 376.218 2.017 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1Cl ZINC000508143852 650475950 /nfs/dbraw/zinc/47/59/50/650475950.db2.gz PEVMNYAOAFCATF-LBPRGKRZSA-N -1 1 387.763 2.126 20 0 GEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000509942107 650503893 /nfs/dbraw/zinc/50/38/93/650503893.db2.gz GISWDFNOIYKINW-HOCLYGCPSA-N -1 1 389.901 2.160 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)OC ZINC000509879208 650502245 /nfs/dbraw/zinc/50/22/45/650502245.db2.gz RQHWRVMYMZOXQI-SNVBAGLBSA-N -1 1 384.237 2.010 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H](O)CC1 ZINC000510065113 650506132 /nfs/dbraw/zinc/50/61/32/650506132.db2.gz IEMVBQWMGGFUIF-MGCOHNPYSA-N -1 1 382.265 2.362 20 0 GEADMM CSc1nc(C)c(CCC(=O)N(CC(F)(F)F)[C@H]2CCOC2)c(=O)[n-]1 ZINC000468922477 650508555 /nfs/dbraw/zinc/50/85/55/650508555.db2.gz HWQALHXGLYUAPA-JTQLQIEISA-N -1 1 379.404 2.325 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)cc1F ZINC000512580524 650550715 /nfs/dbraw/zinc/55/07/15/650550715.db2.gz BRGDWNXZEMHEDS-UHFFFAOYSA-N -1 1 392.405 2.146 20 0 GEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000476526923 650552824 /nfs/dbraw/zinc/55/28/24/650552824.db2.gz RFXMURXFMQPQBH-MRVPVSSYSA-N -1 1 390.177 2.063 20 0 GEADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(Br)ccc1Br ZINC000477041216 650567028 /nfs/dbraw/zinc/56/70/28/650567028.db2.gz DVDULORVAUKKPE-UHFFFAOYSA-N -1 1 387.035 2.144 20 0 GEADMM Nc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cccc1S(N)(=O)=O ZINC000477338199 650574138 /nfs/dbraw/zinc/57/41/38/650574138.db2.gz LGAVTGCUSPLDJR-UHFFFAOYSA-N -1 1 396.277 2.024 20 0 GEADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000514867318 650581624 /nfs/dbraw/zinc/58/16/24/650581624.db2.gz UKPWVADOXKFFEI-MRXNPFEDSA-N -1 1 386.242 2.491 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000515629822 650593259 /nfs/dbraw/zinc/59/32/59/650593259.db2.gz JEUBEZUSIHLKSY-UHFFFAOYSA-N -1 1 382.463 2.158 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)o1 ZINC000479234699 650599640 /nfs/dbraw/zinc/59/96/40/650599640.db2.gz DHBUUTKMIJNHDC-UHFFFAOYSA-N -1 1 375.349 2.092 20 0 GEADMM COc1ccc(NC(=O)c2sc3nccn3c2C)cc1[N-]S(C)(=O)=O ZINC000479274095 650600546 /nfs/dbraw/zinc/60/05/46/650600546.db2.gz 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379.825 2.113 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1Cl ZINC000069043978 643018985 /nfs/dbraw/zinc/01/89/85/643018985.db2.gz CHAOXRXSUHLDML-NSHDSACASA-N -1 1 392.909 2.141 20 0 GEADMM COC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000071270055 643059782 /nfs/dbraw/zinc/05/97/82/643059782.db2.gz WUTBIOAWLXIIDZ-ZETCQYMHSA-N -1 1 393.086 2.042 20 0 GEADMM C[C@]1(C(=O)[O-])CCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000096686550 643090576 /nfs/dbraw/zinc/09/05/76/643090576.db2.gz CBTKFQNNJORYPH-CQSZACIVSA-N -1 1 376.272 2.162 20 0 GEADMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000102932834 643147493 /nfs/dbraw/zinc/14/74/93/643147493.db2.gz LPVLSGJYJWIFHO-ZDUSSCGKSA-N -1 1 378.491 2.396 20 0 GEADMM O=C1CCCN1CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000103153043 643155843 /nfs/dbraw/zinc/15/58/43/643155843.db2.gz FVBKEKJMSKIERB-UHFFFAOYSA-N -1 1 397.241 2.018 20 0 GEADMM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C[C@@H](C)O1 ZINC000105616643 643211590 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RZNAETYOJKKQTA-VIFPVBQESA-N -1 1 398.236 2.275 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)Cn2cccn2)c1F ZINC000913914053 654815799 /nfs/dbraw/zinc/81/57/99/654815799.db2.gz HNHKXCQAJVPEON-VIFPVBQESA-N -1 1 392.250 2.160 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CC1CCOCC1 ZINC000914025480 654822207 /nfs/dbraw/zinc/82/22/07/654822207.db2.gz SGZCKRBGXSZQBR-HSZRJFAPSA-N -1 1 386.417 2.294 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2CCOCC2)c1F ZINC000914024324 654822245 /nfs/dbraw/zinc/82/22/45/654822245.db2.gz BLRRCWBITRGLJS-UHFFFAOYSA-N -1 1 382.251 2.302 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cnn(C)c2)c1F ZINC000914178986 654832978 /nfs/dbraw/zinc/83/29/78/654832978.db2.gz XBJDLLQNIZPOTO-QMMMGPOBSA-N -1 1 392.250 2.370 20 0 GEADMM C[C@H]([N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[C@H]1CCOC1 ZINC000914187378 654833802 /nfs/dbraw/zinc/83/38/02/654833802.db2.gz CFVHFJYCTWEWPF-JOMGAKPTSA-N -1 1 386.417 2.293 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)CCO)c1F ZINC000914208366 654835459 /nfs/dbraw/zinc/83/54/59/654835459.db2.gz ODZWKNDFEPXMRP-UHFFFAOYSA-N -1 1 384.267 2.284 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c1F ZINC000914297342 654843049 /nfs/dbraw/zinc/84/30/49/654843049.db2.gz ZJANGRHTPKYYCH-AOOOYVTPSA-N -1 1 396.278 2.426 20 0 GEADMM COC[C@](C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OC ZINC000934525972 654852004 /nfs/dbraw/zinc/85/20/04/654852004.db2.gz HIJQQENVNKWCKR-ZDUSSCGKSA-N -1 1 380.185 2.235 20 0 GEADMM O=C(N1CCC[C@H](c2nn[n-]n2)C1)C(F)(F)c1cccc(Br)c1 ZINC000935037289 654872027 /nfs/dbraw/zinc/87/20/27/654872027.db2.gz RLRSTJCYQRWMLS-VIFPVBQESA-N -1 1 386.200 2.460 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](CO)C(C)C)c1F ZINC000915637487 654875672 /nfs/dbraw/zinc/87/56/72/654875672.db2.gz CVGAKIUVWBHNFJ-SECBINFHSA-N -1 1 384.267 2.140 20 0 GEADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000915876563 654881404 /nfs/dbraw/zinc/88/14/04/654881404.db2.gz XYPSGGXBTORNPK-NEPJUHHUSA-N -1 1 388.511 2.456 20 0 GEADMM C[C@H](CCO)CC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000915992718 654884398 /nfs/dbraw/zinc/88/43/98/654884398.db2.gz UVLSATCQQRQAGE-BSNNYGBQSA-N -1 1 388.433 2.276 20 0 GEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935456714 654894575 /nfs/dbraw/zinc/89/45/75/654894575.db2.gz KJQOZBGECKLTBT-SNVBAGLBSA-N -1 1 389.815 2.270 20 0 GEADMM O=C(c1cc(F)cc(Br)c1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935457674 654894598 /nfs/dbraw/zinc/89/45/98/654894598.db2.gz WUYZQFNHYIZFHG-SECBINFHSA-N -1 1 390.213 2.171 20 0 GEADMM CCc1nc(S(=O)(=O)CCC(=O)Nc2ccccc2C(F)(F)F)n[n-]1 ZINC000152001472 531525665 /nfs/dbraw/zinc/52/56/65/531525665.db2.gz YWDAXGSMIAAZIT-UHFFFAOYSA-N -1 1 376.360 2.188 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)co1 ZINC000152185745 531536820 /nfs/dbraw/zinc/53/68/20/531536820.db2.gz COXCMLOIAWHFDS-HNNXBMFYSA-N -1 1 380.491 2.426 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000013183370 531557430 /nfs/dbraw/zinc/55/74/30/531557430.db2.gz GGGYLOFXSNKDFG-UHFFFAOYSA-N -1 1 378.797 2.420 20 0 GEADMM CCc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000153137725 531590654 /nfs/dbraw/zinc/59/06/54/531590654.db2.gz VOEABUFVOCEJCO-QMMMGPOBSA-N -1 1 391.280 2.325 20 0 GEADMM O=S(=O)(CCC[N-]S(=O)(=O)c1cc(F)ccc1F)Cc1ccccc1 ZINC000041628114 531666628 /nfs/dbraw/zinc/66/66/28/531666628.db2.gz DFDKXUSYYYXEJQ-UHFFFAOYSA-N -1 1 389.445 2.248 20 0 GEADMM Cc1c(I)cccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155495466 531686498 /nfs/dbraw/zinc/68/64/98/531686498.db2.gz ITJVBGJNKDYEBO-SNVBAGLBSA-N -1 1 397.220 2.133 20 0 GEADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC(=O)NCCO)cc1 ZINC000052025698 531748078 /nfs/dbraw/zinc/74/80/78/531748078.db2.gz KREIQKCLXRGZHW-UHFFFAOYSA-N -1 1 382.869 2.100 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3CC3)c2)cc1F ZINC000055579371 531793616 /nfs/dbraw/zinc/79/36/16/531793616.db2.gz OORCXSHQYSLHMA-UHFFFAOYSA-N -1 1 384.454 2.376 20 0 GEADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000055596667 531796459 /nfs/dbraw/zinc/79/64/59/531796459.db2.gz SIOBJDCEZIRLAC-UHFFFAOYSA-N -1 1 378.834 2.236 20 0 GEADMM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000056137122 531808921 /nfs/dbraw/zinc/80/89/21/531808921.db2.gz QUCKPTBFOWXNEZ-UHFFFAOYSA-N -1 1 385.829 2.442 20 0 GEADMM O=C(CNC(=O)c1cc(Br)ccc1[O-])NCCc1ccccc1 ZINC000058708977 531835737 /nfs/dbraw/zinc/83/57/37/531835737.db2.gz ZUXXZHXZUVEYOM-UHFFFAOYSA-N -1 1 377.238 2.243 20 0 GEADMM O=C(C1CC[NH+](Cc2cc(O)ccc2Br)CC1)N1CCOCC1 ZINC000162674743 531845931 /nfs/dbraw/zinc/84/59/31/531845931.db2.gz LBQFNIVDNANPML-UHFFFAOYSA-N -1 1 383.286 2.226 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1S(N)(=O)=O ZINC000064477405 531867350 /nfs/dbraw/zinc/86/73/50/531867350.db2.gz LMTMKHCPHHQIEK-UHFFFAOYSA-N -1 1 386.520 2.419 20 0 GEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000067997338 531892569 /nfs/dbraw/zinc/89/25/69/531892569.db2.gz CBQDRPUUTTYOQQ-OAHLLOKOSA-N -1 1 381.523 2.461 20 0 GEADMM O=C(CC[N-]S(=O)(=O)c1sccc1Br)Nc1cccnc1 ZINC000068041982 531894520 /nfs/dbraw/zinc/89/45/20/531894520.db2.gz JPYFAVIUXZYEKY-UHFFFAOYSA-N -1 1 390.284 2.213 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1NS(C)(=O)=O ZINC000068076335 531895502 /nfs/dbraw/zinc/89/55/02/531895502.db2.gz DWHZBUPAEGYAHV-UHFFFAOYSA-N -1 1 382.463 2.198 20 0 GEADMM Cn1cc(CCC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)cn1 ZINC000171244071 531900114 /nfs/dbraw/zinc/90/01/14/531900114.db2.gz RGIQLDGPXRXYBC-UHFFFAOYSA-N -1 1 393.694 2.142 20 0 GEADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000171955690 531926982 /nfs/dbraw/zinc/92/69/82/531926982.db2.gz YTBKMVQCGRHGJX-UHFFFAOYSA-N -1 1 379.463 2.219 20 0 GEADMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)ccc12 ZINC000093909169 531927240 /nfs/dbraw/zinc/92/72/40/531927240.db2.gz GNQWNGHIAMEDAQ-UHFFFAOYSA-N -1 1 379.463 2.384 20 0 GEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)ccc12 ZINC000093909169 531927252 /nfs/dbraw/zinc/92/72/52/531927252.db2.gz GNQWNGHIAMEDAQ-UHFFFAOYSA-N -1 1 379.463 2.384 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc(C)c1F ZINC000172887806 531972436 /nfs/dbraw/zinc/97/24/36/531972436.db2.gz ZZPPIVOZTONHNF-UHFFFAOYSA-N -1 1 376.406 2.030 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000172901495 531973732 /nfs/dbraw/zinc/97/37/32/531973732.db2.gz AIMMZPHMOPBSPM-UHFFFAOYSA-N -1 1 394.396 2.240 20 0 GEADMM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1c(Cl)cccc1C(F)(F)F ZINC000120145747 531974497 /nfs/dbraw/zinc/97/44/97/531974497.db2.gz YCTZHYGGKGQXBN-ZDUSSCGKSA-N -1 1 387.807 2.426 20 0 GEADMM CSc1nc(C)c(CCC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000121368457 532025332 /nfs/dbraw/zinc/02/53/32/532025332.db2.gz AXNCHWGCBSOLNL-AWEZNQCLSA-N -1 1 381.885 2.236 20 0 GEADMM CNC(=O)c1cccc(CCNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000122322215 532065515 /nfs/dbraw/zinc/06/55/15/532065515.db2.gz OCFIYNVRCCBJDN-UHFFFAOYSA-N -1 1 377.238 2.487 20 0 GEADMM Cc1cc(I)cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1C ZINC000124596757 532125106 /nfs/dbraw/zinc/12/51/06/532125106.db2.gz FSERNXKIXKHBJS-SECBINFHSA-N -1 1 399.236 2.297 20 0 GEADMM Cc1cc(I)cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1C ZINC000124596980 532125280 /nfs/dbraw/zinc/12/52/80/532125280.db2.gz FSERNXKIXKHBJS-VIFPVBQESA-N -1 1 399.236 2.297 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)co1 ZINC000124623556 532126659 /nfs/dbraw/zinc/12/66/59/532126659.db2.gz PLUVPKCYTHNOSV-CQSZACIVSA-N -1 1 384.841 2.135 20 0 GEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@]2(O)CCSC2)cc1 ZINC000176712899 532146328 /nfs/dbraw/zinc/14/63/28/532146328.db2.gz UTDKLMRRWXKALH-KRWDZBQOSA-N -1 1 378.523 2.290 20 0 GEADMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@]2(O)CCSC2)c1 ZINC000176715301 532146772 /nfs/dbraw/zinc/14/67/72/532146772.db2.gz OINRSKGLQWZSDK-KRWDZBQOSA-N -1 1 378.523 2.290 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)o1 ZINC000177524101 532174145 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CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H](O)C(F)F ZINC000295788063 532476087 /nfs/dbraw/zinc/47/60/87/532476087.db2.gz RHIQUQNSWCGXJC-JGVFFNPUSA-N -1 1 393.637 2.180 20 0 GEADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)no1 ZINC000430983504 532502569 /nfs/dbraw/zinc/50/25/69/532502569.db2.gz FPJUWEKDSYAWTG-UHFFFAOYSA-N -1 1 387.483 2.286 20 0 GEADMM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431151290 532506325 /nfs/dbraw/zinc/50/63/25/532506325.db2.gz IZPUFYJCKGJONF-UHFFFAOYSA-N -1 1 394.758 2.422 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C)C[C@H]2CCOC2)c1F ZINC000594457582 532506765 /nfs/dbraw/zinc/50/67/65/532506765.db2.gz MFLTYAAGDDOPFE-VHSXEESVSA-N -1 1 379.837 2.359 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(CCO)CCC2)c1F ZINC000594456683 532506772 /nfs/dbraw/zinc/50/67/72/532506772.db2.gz BOBQBDJYYWTWMS-UHFFFAOYSA-N -1 1 379.837 2.097 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCOC2)c1F ZINC000594462211 532507351 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CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000564099827 532517285 /nfs/dbraw/zinc/51/72/85/532517285.db2.gz BRYCSOLTXIBPMB-GFCCVEGCSA-N -1 1 382.507 2.455 20 0 GEADMM CN1CC[C@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1=O ZINC000685831005 532498240 /nfs/dbraw/zinc/49/82/40/532498240.db2.gz NFCLRPJBLMJXPW-VIFPVBQESA-N -1 1 378.226 2.054 20 0 GEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)c12 ZINC000520818693 532498358 /nfs/dbraw/zinc/49/83/58/532498358.db2.gz YWCXSUUOTXVDLW-GHMZBOCLSA-N -1 1 383.495 2.196 20 0 GEADMM C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000246231887 532535886 /nfs/dbraw/zinc/53/58/86/532535886.db2.gz HWUGALRPAGKWOA-NXEZZACHSA-N -1 1 388.205 2.025 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CC1)c1ccc(Cl)c(F)c1 ZINC000564914117 532537309 /nfs/dbraw/zinc/53/73/09/532537309.db2.gz UZIVOZBPFBVYQM-ZIAGYGMSSA-N -1 1 379.837 2.038 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)CC1CC1 ZINC000594866244 532538566 /nfs/dbraw/zinc/53/85/66/532538566.db2.gz PHAWOTCBNZWHPL-SNVBAGLBSA-N -1 1 396.292 2.467 20 0 GEADMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C)C(F)(F)F ZINC000594702505 532521198 /nfs/dbraw/zinc/52/11/98/532521198.db2.gz ZKAJXJARKNIGCL-LLVKDONJSA-N -1 1 385.408 2.243 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)o1 ZINC000525333375 532531224 /nfs/dbraw/zinc/53/12/24/532531224.db2.gz UFYQXTPGJRHINY-UHFFFAOYSA-N -1 1 379.419 2.269 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCC1CC1)c1ccccc1Br ZINC000594842699 532532990 /nfs/dbraw/zinc/53/29/90/532532990.db2.gz GSERYIRRMRQVHQ-CYBMUJFWSA-N -1 1 376.272 2.383 20 0 GEADMM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCOC1 ZINC000594847691 532534202 /nfs/dbraw/zinc/53/42/02/532534202.db2.gz TYTKIVYMJPUXSL-OAHLLOKOSA-N -1 1 379.837 2.258 20 0 GEADMM CN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1=O ZINC000471586289 532553793 /nfs/dbraw/zinc/55/37/93/532553793.db2.gz PYVMAZMVRJSUMK-JTQLQIEISA-N -1 1 399.669 2.141 20 0 GEADMM Cn1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000471631058 532554609 /nfs/dbraw/zinc/55/46/09/532554609.db2.gz ZXSPXSQXKRIAKT-UHFFFAOYSA-N -1 1 396.669 2.496 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000595341330 532558412 /nfs/dbraw/zinc/55/84/12/532558412.db2.gz VSXOKSGSYGHBEL-CYBMUJFWSA-N -1 1 387.841 2.430 20 0 GEADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000471965148 532562487 /nfs/dbraw/zinc/56/24/87/532562487.db2.gz COVBYYBFHCMVSW-UHFFFAOYSA-N -1 1 377.447 2.048 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000471975234 532563207 /nfs/dbraw/zinc/56/32/07/532563207.db2.gz ARDKPYWPMKUHJY-UHFFFAOYSA-N -1 1 375.761 2.449 20 0 GEADMM O=S(=O)([N-]CCc1nc2c(s1)CCCC2)c1c[nH]nc1C(F)(F)F ZINC000631876151 532564855 /nfs/dbraw/zinc/56/48/55/532564855.db2.gz GRNNYPCUHOQLBW-UHFFFAOYSA-N -1 1 380.417 2.285 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CC=CC2)c(F)c1 ZINC000528469805 532565907 /nfs/dbraw/zinc/56/59/07/532565907.db2.gz NVVKXXDFCSEFCL-UHFFFAOYSA-N -1 1 376.475 2.222 20 0 GEADMM CCC(=O)N1CC[C@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000565570610 532570193 /nfs/dbraw/zinc/57/01/93/532570193.db2.gz XITKVBRZNCAVIK-JTQLQIEISA-N -1 1 392.253 2.444 20 0 GEADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)CN1C1CC1 ZINC000433428264 532568809 /nfs/dbraw/zinc/56/88/09/532568809.db2.gz VEEYOXAWZNXDOE-ZCFIWIBFSA-N -1 1 399.719 2.206 20 0 GEADMM CN1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1=O ZINC000433430458 532569043 /nfs/dbraw/zinc/56/90/43/532569043.db2.gz KJEYKWUAFXZMMR-LURJTMIESA-N -1 1 387.708 2.063 20 0 GEADMM CCN(c1cccc(O)c1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000473407532 532590773 /nfs/dbraw/zinc/59/07/73/532590773.db2.gz DYHUDNZYYYAKEY-UHFFFAOYSA-N -1 1 388.442 2.118 20 0 GEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000632224925 532591942 /nfs/dbraw/zinc/59/19/42/532591942.db2.gz TWAQLVUFFGSUFL-CQSZACIVSA-N -1 1 383.388 2.115 20 0 GEADMM C[C@](CO)([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000632006625 532573079 /nfs/dbraw/zinc/57/30/79/532573079.db2.gz HZTIPEKHYUERSD-GFCCVEGCSA-N -1 1 382.385 2.054 20 0 GEADMM C[C@H]1CC(F)(F)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000528557934 532573269 /nfs/dbraw/zinc/57/32/69/532573269.db2.gz ZWWMSQOVYZMPJR-VIFPVBQESA-N -1 1 386.417 2.006 20 0 GEADMM COCCOCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433655136 532576015 /nfs/dbraw/zinc/57/60/15/532576015.db2.gz VLGZTQBHEGVBFB-UHFFFAOYSA-N -1 1 392.724 2.495 20 0 GEADMM O=S(=O)([N-][C@H]1CCOC2(CCSCC2)C1)c1c[nH]nc1C(F)(F)F ZINC000632124446 532580343 /nfs/dbraw/zinc/58/03/43/532580343.db2.gz CVTVZXGYKXIVPI-VIFPVBQESA-N -1 1 385.433 2.152 20 0 GEADMM O=S(=O)([N-][C@H](C1CCOCC1)C1(CO)CCC1)c1ccc(C(F)F)o1 ZINC000632484043 532614763 /nfs/dbraw/zinc/61/47/63/532614763.db2.gz VKGZWQVDNXJXDC-CQSZACIVSA-N -1 1 379.425 2.453 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ncnn1C ZINC000474385809 532615890 /nfs/dbraw/zinc/61/58/90/532615890.db2.gz VHCJABAZAKJVJP-YFKPBYRVSA-N -1 1 385.696 2.332 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)cc1F)[C@H]1CCOC1 ZINC000656614033 532622293 /nfs/dbraw/zinc/62/22/93/532622293.db2.gz CWECVGBGVVRJRQ-TVQRCGJNSA-N -1 1 382.251 2.381 20 0 GEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1Br ZINC000474406107 532617648 /nfs/dbraw/zinc/61/76/48/532617648.db2.gz FPDVYLYAJUZUFE-UHFFFAOYSA-N -1 1 397.210 2.219 20 0 GEADMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000566608024 532619699 /nfs/dbraw/zinc/61/96/99/532619699.db2.gz VOIAKOWTNLSANH-DLBZAZTESA-N -1 1 380.491 2.235 20 0 GEADMM O=C1NC2(CCCCC2)C(=O)N1CCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000376155422 532598900 /nfs/dbraw/zinc/59/89/00/532598900.db2.gz DRXVZCANBSSFBL-UHFFFAOYSA-N -1 1 377.392 2.036 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)NCc1ccco1 ZINC000473915393 532602376 /nfs/dbraw/zinc/60/23/76/532602376.db2.gz ZZPOYRFKDKMULM-UHFFFAOYSA-N -1 1 381.212 2.320 20 0 GEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)Cc1cccc(C)c1 ZINC000435219625 532610338 /nfs/dbraw/zinc/61/03/38/532610338.db2.gz GFDGEGUMECONBU-OAHLLOKOSA-N -1 1 382.507 2.379 20 0 GEADMM O=C([C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1)N1CCCC1 ZINC000435627998 532623170 /nfs/dbraw/zinc/62/31/70/532623170.db2.gz SXCAVVJSHZSLOM-MNOVXSKESA-N -1 1 391.287 2.112 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O)C1CCCCC1 ZINC000656615699 532623292 /nfs/dbraw/zinc/62/32/92/532623292.db2.gz DNAAVKSNUCKDLT-MRXNPFEDSA-N -1 1 390.527 2.395 20 0 GEADMM CC(C)(NC(=O)c1cc(Br)ccc1Br)c1nn[n-]n1 ZINC000476691910 532645950 /nfs/dbraw/zinc/64/59/50/532645950.db2.gz SDNFXWMLTWOHOA-UHFFFAOYSA-N -1 1 389.051 2.390 20 0 GEADMM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656920046 532646330 /nfs/dbraw/zinc/64/63/30/532646330.db2.gz WPKXJBCFDAVTJU-SECBINFHSA-N -1 1 387.303 2.104 20 0 GEADMM COc1ccc(CNC(=O)CNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436537306 532636936 /nfs/dbraw/zinc/63/69/36/532636936.db2.gz DTRHVOYXJHJDDK-UHFFFAOYSA-N -1 1 393.237 2.210 20 0 GEADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000436533199 532637343 /nfs/dbraw/zinc/63/73/43/532637343.db2.gz MKEZPVQUDANPQH-LBPRGKRZSA-N -1 1 375.874 2.484 20 0 GEADMM O=C(Nc1nnc2ccccn21)c1cc(I)ccc1[O-] ZINC000436672339 532640833 /nfs/dbraw/zinc/64/08/33/532640833.db2.gz BWPRPAGYQZZTNJ-UHFFFAOYSA-N -1 1 380.145 2.292 20 0 GEADMM O=C(CCNC(=O)C(=O)c1ccc([O-])cc1)Nc1ccc(Br)cc1 ZINC000436682654 532640985 /nfs/dbraw/zinc/64/09/85/532640985.db2.gz WQEPXHJSHQVVTE-UHFFFAOYSA-N -1 1 391.221 2.482 20 0 GEADMM C[C@@H]1COCC[C@H]1CNC(=O)c1cc(I)ccc1[O-] ZINC000436658083 532641894 /nfs/dbraw/zinc/64/18/94/532641894.db2.gz KWSIYQVUEGOYHR-ZJUUUORDSA-N -1 1 375.206 2.399 20 0 GEADMM COC(=O)CCN(C(=O)c1cc(I)ccc1[O-])C(C)C ZINC000436668962 532642015 /nfs/dbraw/zinc/64/20/15/532642015.db2.gz GLBWDLSBIILQBS-UHFFFAOYSA-N -1 1 391.205 2.411 20 0 GEADMM O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1c([O-])cccc1F ZINC000436746589 532642996 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GEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000392722594 532708194 /nfs/dbraw/zinc/70/81/94/532708194.db2.gz QNNYGANEJQFZLZ-UHFFFAOYSA-N -1 1 382.463 2.036 20 0 GEADMM O=S(=O)([N-]Cc1nnnn1C1CC1)c1c(Cl)cccc1C(F)(F)F ZINC000608044334 532711005 /nfs/dbraw/zinc/71/10/05/532711005.db2.gz QPYWVJRHMOTCAI-UHFFFAOYSA-N -1 1 381.767 2.159 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCOc2ccc(Cl)cc2Cl)n1 ZINC000492236983 532711961 /nfs/dbraw/zinc/71/19/61/532711961.db2.gz ORJWAJJZFZVZFB-UHFFFAOYSA-N -1 1 393.252 2.313 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)[n-]1 ZINC000492236983 532711963 /nfs/dbraw/zinc/71/19/63/532711963.db2.gz ORJWAJJZFZVZFB-UHFFFAOYSA-N -1 1 393.252 2.313 20 0 GEADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2nc(C)c(C)s2)nc1C ZINC000610930560 532719997 /nfs/dbraw/zinc/71/99/97/532719997.db2.gz PAQSWQSZHLDACY-UHFFFAOYSA-N -1 1 375.497 2.180 20 0 GEADMM Cc1nc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c(C)s1 ZINC000538870486 532722497 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CCn1cc(S(=O)(=O)Nc2cnn(CC)c2C(F)(F)F)cc1C(=O)[O-] ZINC000410404300 532739887 /nfs/dbraw/zinc/73/98/87/532739887.db2.gz FWCQIJWRWHZTOA-UHFFFAOYSA-N -1 1 380.348 2.242 20 0 GEADMM NS(=O)(=O)c1ccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC000507141146 532757040 /nfs/dbraw/zinc/75/70/40/532757040.db2.gz GSPUZEYZPMUXSJ-UHFFFAOYSA-N -1 1 381.885 2.015 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CCCC2)c(F)c1 ZINC000451043408 532760466 /nfs/dbraw/zinc/76/04/66/532760466.db2.gz SVPQYLWPQAAKJD-UHFFFAOYSA-N -1 1 378.491 2.446 20 0 GEADMM CCOC(=O)c1nc(CNC(=O)c2cccc(Br)c2Cl)n[n-]1 ZINC000616176172 532751843 /nfs/dbraw/zinc/75/18/43/532751843.db2.gz KFZWQOODTYJQOP-UHFFFAOYSA-N -1 1 387.621 2.327 20 0 GEADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(Br)c2Cl)n1 ZINC000616176172 532751845 /nfs/dbraw/zinc/75/18/45/532751845.db2.gz KFZWQOODTYJQOP-UHFFFAOYSA-N -1 1 387.621 2.327 20 0 GEADMM O=S(=O)([N-]c1ncccc1Br)c1ccccc1Cn1cncn1 ZINC000542714751 532777625 /nfs/dbraw/zinc/77/76/25/532777625.db2.gz 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CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000588901857 532772759 /nfs/dbraw/zinc/77/27/59/532772759.db2.gz XOFYZUMYZAZJMW-JTQLQIEISA-N -1 1 389.301 2.279 20 0 GEADMM O=S(=O)([N-]C[C@@H](O)C(F)(F)F)c1cc(Br)ccc1Cl ZINC000269749294 532789572 /nfs/dbraw/zinc/78/95/72/532789572.db2.gz YGVVGWYFFXCROY-MRVPVSSYSA-N -1 1 382.585 2.304 20 0 GEADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(I)ccc1[O-] ZINC000328061999 532793987 /nfs/dbraw/zinc/79/39/87/532793987.db2.gz BPQBMTAFLQFEBW-YMTOWFKASA-N -1 1 375.206 2.278 20 0 GEADMM Cc1c(F)ccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000542840963 532781288 /nfs/dbraw/zinc/78/12/88/532781288.db2.gz PAMRDFIIKNMIGN-UHFFFAOYSA-N -1 1 386.788 2.385 20 0 GEADMM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000271236279 532805887 /nfs/dbraw/zinc/80/58/87/532805887.db2.gz WUVYWQCYLKCQHA-WDSKDSINSA-N -1 1 395.662 2.471 20 0 GEADMM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)C(C)C ZINC000412715783 532799054 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CC(C)OCCS(=O)(=O)[N-]Cc1nc(Cc2cccc(Cl)c2F)no1 ZINC000273674256 532830611 /nfs/dbraw/zinc/83/06/11/532830611.db2.gz CBRKBQBXWHELSI-UHFFFAOYSA-N -1 1 391.852 2.297 20 0 GEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000330946983 532830871 /nfs/dbraw/zinc/83/08/71/532830871.db2.gz LNOMPKIOMXOFMU-GFCCVEGCSA-N -1 1 378.491 2.398 20 0 GEADMM C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000288773782 532837437 /nfs/dbraw/zinc/83/74/37/532837437.db2.gz BFWDZUDHMGNPKF-GHMZBOCLSA-N -1 1 394.273 2.067 20 0 GEADMM CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C[C@@H]1N(C)C ZINC000331320687 532837792 /nfs/dbraw/zinc/83/77/92/532837792.db2.gz KPZFUEGJRMKEKT-CMPLNLGQSA-N -1 1 384.445 2.077 20 0 GEADMM CCN1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@@H]1c1ncc[nH]1 ZINC000332369719 532853188 /nfs/dbraw/zinc/85/31/88/532853188.db2.gz WMYRQCWDOPITBX-CYBMUJFWSA-N -1 1 379.258 2.397 20 0 GEADMM CN1CC[C@@H](N2CCC(NC(=O)c3c([O-])cc(Cl)cc3Cl)CC2)C1=O ZINC000332351573 532852856 /nfs/dbraw/zinc/85/28/56/532852856.db2.gz AZKOMYNBRNPSTE-CYBMUJFWSA-N -1 1 386.279 2.124 20 0 GEADMM O=C(c1cccc(I)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332389146 532854281 /nfs/dbraw/zinc/85/42/81/532854281.db2.gz YWZVMBGYPZTYLC-SNVBAGLBSA-N -1 1 399.188 2.400 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(OC)c(Cl)c1 ZINC000274694069 532854864 /nfs/dbraw/zinc/85/48/64/532854864.db2.gz VZNKXHQIPYZISH-WFASDCNBSA-N -1 1 391.873 2.051 20 0 GEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2Br)no1 ZINC000289464374 532855910 /nfs/dbraw/zinc/85/59/10/532855910.db2.gz GVQZOEYXTWEOIA-VIFPVBQESA-N -1 1 390.259 2.408 20 0 GEADMM Cc1cc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000289661754 532862102 /nfs/dbraw/zinc/86/21/02/532862102.db2.gz UISDZCBSQMTIHW-LLVKDONJSA-N -1 1 382.379 2.213 20 0 GEADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000332916280 532862226 /nfs/dbraw/zinc/86/22/26/532862226.db2.gz AQOFMNXUNSYZHJ-JQWIXIFHSA-N -1 1 389.543 2.014 20 0 GEADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(OC)ccc2Cl)no1 ZINC000289666908 532862863 /nfs/dbraw/zinc/86/28/63/532862863.db2.gz UQYHSSFNNZAULC-VIFPVBQESA-N -1 1 375.834 2.308 20 0 GEADMM O=C([N-]C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2F)C1)C(F)(F)F ZINC000289716163 532864034 /nfs/dbraw/zinc/86/40/34/532864034.db2.gz WXGUAZQVHJKBER-NSHDSACASA-N -1 1 382.379 2.046 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)sc1C ZINC000333191258 532866015 /nfs/dbraw/zinc/86/60/15/532866015.db2.gz VXAFKMBVZSDMRZ-CYBMUJFWSA-N -1 1 385.898 2.497 20 0 GEADMM C[C@@](N)(C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000333297346 532866615 /nfs/dbraw/zinc/86/66/15/532866615.db2.gz ILSSLPGXSGQODX-AFAVFJNCSA-N -1 1 381.270 2.336 20 0 GEADMM O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000275343117 532872891 /nfs/dbraw/zinc/87/28/91/532872891.db2.gz VKXCQNTZYZJIAU-SSDOTTSWSA-N -1 1 394.140 2.114 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333974297 532877194 /nfs/dbraw/zinc/87/71/94/532877194.db2.gz XWLZQYPSRNXQCY-HNNXBMFYSA-N -1 1 388.283 2.196 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C(C)(C)C)n1 ZINC000349522326 532882137 /nfs/dbraw/zinc/88/21/37/532882137.db2.gz MUWZROLASPXGPM-AWEZNQCLSA-N -1 1 391.559 2.218 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC000349528288 532882461 /nfs/dbraw/zinc/88/24/61/532882461.db2.gz XPESZZVZXNPJTG-AWEZNQCLSA-N -1 1 391.559 2.218 20 0 GEADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCC[C@H]2C)c1 ZINC000349559969 532882691 /nfs/dbraw/zinc/88/26/91/532882691.db2.gz AOGRPLQNWVVBBK-CABCVRRESA-N -1 1 389.543 2.020 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCC2(C)C)n1 ZINC000349596097 532883415 /nfs/dbraw/zinc/88/34/15/532883415.db2.gz ZZRJSSBLDMCGCX-UHFFFAOYSA-N -1 1 389.543 2.116 20 0 GEADMM C[C@H]1CC[C@@H](N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349598778 532883694 /nfs/dbraw/zinc/88/36/94/532883694.db2.gz IBBNKKYRGAVDFU-LSDHHAIUSA-N -1 1 389.543 2.054 20 0 GEADMM Cc1ccc2ncc(-c3noc(C[N-]S(=O)(=O)c4cccs4)n3)n2c1 ZINC000350352537 532885240 /nfs/dbraw/zinc/88/52/40/532885240.db2.gz HOLKCRGMMXFALG-UHFFFAOYSA-N -1 1 375.435 2.233 20 0 GEADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000290586634 532884769 /nfs/dbraw/zinc/88/47/69/532884769.db2.gz WQGNDXZDGXEIAQ-UHFFFAOYSA-N -1 1 388.873 2.271 20 0 GEADMM O=S(=O)(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000360229953 532889751 /nfs/dbraw/zinc/88/97/51/532889751.db2.gz LIXIUUMZZHQLTK-DOMZBBRYSA-N -1 1 376.881 2.258 20 0 GEADMM CS(=O)(=O)c1csc(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)c1 ZINC000360078094 532889831 /nfs/dbraw/zinc/88/98/31/532889831.db2.gz GHDQPHGEULIPHD-UHFFFAOYSA-N -1 1 384.389 2.467 20 0 GEADMM Cc1nc(CCNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000290722017 532887925 /nfs/dbraw/zinc/88/79/25/532887925.db2.gz PNMATJUDHIRHRH-LLVKDONJSA-N -1 1 378.420 2.094 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCC[C@H](OCCO)C1 ZINC000290791805 532889362 /nfs/dbraw/zinc/88/93/62/532889362.db2.gz RYACOABNHMISNS-NSHDSACASA-N -1 1 395.253 2.316 20 0 GEADMM CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br)C(C)C ZINC000276692300 532899993 /nfs/dbraw/zinc/89/99/93/532899993.db2.gz MYWMXDUXKCCOQM-SECBINFHSA-N -1 1 398.275 2.168 20 0 GEADMM Cc1cn2c(n1)CN(C(=O)c1cc(I)ccc1[O-])CC2 ZINC000363674308 532900207 /nfs/dbraw/zinc/90/02/07/532900207.db2.gz MWVXWSARQAHECX-UHFFFAOYSA-N -1 1 383.189 2.158 20 0 GEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1Cl ZINC000363932684 532902309 /nfs/dbraw/zinc/90/23/09/532902309.db2.gz FRZJVYTVUMDIQV-SNVBAGLBSA-N -1 1 384.845 2.033 20 0 GEADMM CO[C@](C)(CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000291412134 532901377 /nfs/dbraw/zinc/90/13/77/532901377.db2.gz HYANPYIVBTVPJZ-OAHLLOKOSA-N -1 1 395.308 2.203 20 0 GEADMM CCCCN(CC(N)=O)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291410095 532901453 /nfs/dbraw/zinc/90/14/53/532901453.db2.gz FNWZYPGMWLCZGY-UHFFFAOYSA-N -1 1 380.242 2.431 20 0 GEADMM CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000291536181 532904017 /nfs/dbraw/zinc/90/40/17/532904017.db2.gz KUGNJSSJQIMRBJ-WDEREUQCSA-N -1 1 395.308 2.298 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2cccc(Cl)c2)c(C(F)(F)F)n1 ZINC000293089171 532921884 /nfs/dbraw/zinc/92/18/84/532921884.db2.gz MZVPJGCDCRGCSE-CYBMUJFWSA-N -1 1 397.806 2.278 20 0 GEADMM Cc1nnc(N2C[C@@H](F)C[C@H]2C[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000367150034 532922973 /nfs/dbraw/zinc/92/29/73/532922973.db2.gz AZVCGQPXVPHSGZ-QWRGUYRKSA-N -1 1 392.815 2.066 20 0 GEADMM COCCNS(=O)(=O)c1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000293496249 532927853 /nfs/dbraw/zinc/92/78/53/532927853.db2.gz GWULYICTTKSBDE-UHFFFAOYSA-N -1 1 384.885 2.260 20 0 GEADMM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293566366 532928797 /nfs/dbraw/zinc/92/87/97/532928797.db2.gz SIZHUVROHLYTJL-IUCAKERBSA-N -1 1 383.417 2.291 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000293600217 532929370 /nfs/dbraw/zinc/92/93/70/532929370.db2.gz VBCJQZHCLZWWJG-UHFFFAOYSA-N -1 1 381.351 2.325 20 0 GEADMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000294040109 532934910 /nfs/dbraw/zinc/93/49/10/532934910.db2.gz LSSKMHTYKXJJHG-NSHDSACASA-N -1 1 377.388 2.493 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000294109404 532935826 /nfs/dbraw/zinc/93/58/26/532935826.db2.gz JRFFKKFVKVEREA-CQSZACIVSA-N -1 1 384.841 2.055 20 0 GEADMM CS(=O)(=O)CC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000293959181 532933928 /nfs/dbraw/zinc/93/39/28/532933928.db2.gz SXQNRXXPSHVZIE-UHFFFAOYSA-N -1 1 382.869 2.491 20 0 GEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CCCN1C(=O)c1ccco1 ZINC000370475718 532943711 /nfs/dbraw/zinc/94/37/11/532943711.db2.gz JEEMQAILYOTAGH-VIFPVBQESA-N -1 1 380.198 2.386 20 0 GEADMM COCCOCCS(=O)(=O)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000370754182 532945220 /nfs/dbraw/zinc/94/52/20/532945220.db2.gz PBBMYTCTDFCSQK-UHFFFAOYSA-N -1 1 377.369 2.079 20 0 GEADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1cnc2ccsc2c1 ZINC000370823436 532945486 /nfs/dbraw/zinc/94/54/86/532945486.db2.gz IXVWFSYCHSKPSI-CYBMUJFWSA-N -1 1 380.472 2.103 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000371541599 532948658 /nfs/dbraw/zinc/94/86/58/532948658.db2.gz CTWXEQANTMNSRR-INIZCTEOSA-N -1 1 396.241 2.122 20 0 GEADMM O=C([O-])CCN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000238165542 570430332 /nfs/dbraw/zinc/43/03/32/570430332.db2.gz PPHYECBQELPCMO-UHFFFAOYSA-N -1 1 384.358 2.348 20 0 GEADMM Cn1cc(CC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000737605115 598834455 /nfs/dbraw/zinc/83/44/55/598834455.db2.gz SKGJMLFFSSFVGZ-UHFFFAOYSA-N -1 1 379.449 2.188 20 0 GEADMM O=C(CCCn1cncn1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737839486 598847634 /nfs/dbraw/zinc/84/76/34/598847634.db2.gz TZYWQBMROLNUMQ-UHFFFAOYSA-N -1 1 394.464 2.283 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOc2ccccc21 ZINC000738354732 598867795 /nfs/dbraw/zinc/86/77/95/598867795.db2.gz JIBCHBMVQUKPOM-UHFFFAOYSA-N -1 1 377.813 2.108 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOc2ccccc21 ZINC000738354732 598867797 /nfs/dbraw/zinc/86/77/97/598867797.db2.gz JIBCHBMVQUKPOM-UHFFFAOYSA-N -1 1 377.813 2.108 20 0 GEADMM CN(C1Cc2ccccc2C1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736779460 598874208 /nfs/dbraw/zinc/87/42/08/598874208.db2.gz JEQKLAIGHMMJEX-UHFFFAOYSA-N -1 1 389.868 2.308 20 0 GEADMM CN(C1Cc2ccccc2C1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736779460 598874209 /nfs/dbraw/zinc/87/42/09/598874209.db2.gz JEQKLAIGHMMJEX-UHFFFAOYSA-N -1 1 389.868 2.308 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@H](c2ccco2)C1 ZINC000738355966 598875034 /nfs/dbraw/zinc/87/50/34/598875034.db2.gz XWOCQGPJPYQUES-JTQLQIEISA-N -1 1 379.829 2.291 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@H](c2ccco2)C1 ZINC000738355966 598875036 /nfs/dbraw/zinc/87/50/36/598875036.db2.gz XWOCQGPJPYQUES-JTQLQIEISA-N -1 1 379.829 2.291 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H](c2ccco2)C1 ZINC000738355967 598875062 /nfs/dbraw/zinc/87/50/62/598875062.db2.gz XWOCQGPJPYQUES-SNVBAGLBSA-N -1 1 379.829 2.291 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H](c2ccco2)C1 ZINC000738355967 598875065 /nfs/dbraw/zinc/87/50/65/598875065.db2.gz XWOCQGPJPYQUES-SNVBAGLBSA-N -1 1 379.829 2.291 20 0 GEADMM Cc1noc(CNC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000737545268 598906674 /nfs/dbraw/zinc/90/66/74/598906674.db2.gz DPCBQAYHDLWRJU-UHFFFAOYSA-N -1 1 396.436 2.286 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCCC[C@H]1C ZINC000737486784 598909408 /nfs/dbraw/zinc/90/94/08/598909408.db2.gz DPESTBVXTNCKNO-GFCCVEGCSA-N -1 1 382.472 2.250 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCCC[C@H]1C ZINC000737486784 598909409 /nfs/dbraw/zinc/90/94/09/598909409.db2.gz DPESTBVXTNCKNO-GFCCVEGCSA-N -1 1 382.472 2.250 20 0 GEADMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000736951071 598929391 /nfs/dbraw/zinc/92/93/91/598929391.db2.gz MOSJTPVYZJLSIQ-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1C ZINC000736948598 598931253 /nfs/dbraw/zinc/93/12/53/598931253.db2.gz JOWSFKISSYVRIB-UHFFFAOYSA-N -1 1 387.421 2.071 20 0 GEADMM COc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737152113 598933784 /nfs/dbraw/zinc/93/37/84/598933784.db2.gz IGMCEKIFEDMTGX-UHFFFAOYSA-N -1 1 388.435 2.145 20 0 GEADMM COc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737152113 598933786 /nfs/dbraw/zinc/93/37/86/598933786.db2.gz IGMCEKIFEDMTGX-UHFFFAOYSA-N -1 1 388.435 2.145 20 0 GEADMM c1ncn(Cc2ccc(CNc3c4ccccc4nnc3-c3nnn[n-]3)cc2)n1 ZINC000738438116 598935438 /nfs/dbraw/zinc/93/54/38/598935438.db2.gz WVERUXHIJXPEKS-UHFFFAOYSA-N -1 1 384.407 2.062 20 0 GEADMM c1ncn(Cc2ccc(CNc3c4ccccc4nnc3-c3nn[n-]n3)cc2)n1 ZINC000738438116 598935439 /nfs/dbraw/zinc/93/54/39/598935439.db2.gz WVERUXHIJXPEKS-UHFFFAOYSA-N -1 1 384.407 2.062 20 0 GEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736787061 598936463 /nfs/dbraw/zinc/93/64/63/598936463.db2.gz FDIGQEOFAZOONR-UHFFFAOYSA-N -1 1 396.361 2.163 20 0 GEADMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736787061 598936464 /nfs/dbraw/zinc/93/64/64/598936464.db2.gz FDIGQEOFAZOONR-UHFFFAOYSA-N -1 1 396.361 2.163 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000737224821 598948980 /nfs/dbraw/zinc/94/89/80/598948980.db2.gz HPNHVERRVDRQLD-UHFFFAOYSA-N -1 1 399.461 2.494 20 0 GEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c(OC)c1OC ZINC000737094805 598960425 /nfs/dbraw/zinc/96/04/25/598960425.db2.gz AMEDIBXZPYUBGX-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c(OC)c1OC ZINC000737094805 598960427 /nfs/dbraw/zinc/96/04/27/598960427.db2.gz AMEDIBXZPYUBGX-UHFFFAOYSA-N -1 1 393.407 2.448 20 0 GEADMM O=C1OCCN1c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000738317996 598960705 /nfs/dbraw/zinc/96/07/05/598960705.db2.gz GVLNBNJEYAJTFU-UHFFFAOYSA-N -1 1 388.391 2.379 20 0 GEADMM O=C1OCCN1c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000738317996 598960708 /nfs/dbraw/zinc/96/07/08/598960708.db2.gz GVLNBNJEYAJTFU-UHFFFAOYSA-N -1 1 388.391 2.379 20 0 GEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCCc1nnc2n1CCCCC2 ZINC000738436866 598966089 /nfs/dbraw/zinc/96/60/89/598966089.db2.gz KFYXOUFTUHMVHU-UHFFFAOYSA-N -1 1 390.455 2.173 20 0 GEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCCc1nnc2n1CCCCC2 ZINC000738436866 598966091 /nfs/dbraw/zinc/96/60/91/598966091.db2.gz KFYXOUFTUHMVHU-UHFFFAOYSA-N -1 1 390.455 2.173 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cccc1-c1nn[nH]n1 ZINC000822130743 607255397 /nfs/dbraw/zinc/25/53/97/607255397.db2.gz YJAFSODTOQFPGF-UHFFFAOYSA-N -1 1 387.421 2.137 20 0 GEADMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735587575 598967998 /nfs/dbraw/zinc/96/79/98/598967998.db2.gz VXGXYYWYOYSGME-CYBMUJFWSA-N -1 1 394.483 2.189 20 0 GEADMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735587575 598967999 /nfs/dbraw/zinc/96/79/99/598967999.db2.gz VXGXYYWYOYSGME-CYBMUJFWSA-N -1 1 394.483 2.189 20 0 GEADMM O=C(Oc1cccc(I)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738246179 598982481 /nfs/dbraw/zinc/98/24/81/598982481.db2.gz CGVGWWFPMZOYGC-UHFFFAOYSA-N -1 1 393.144 2.086 20 0 GEADMM O=C(Oc1cccc(I)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738246179 598982483 /nfs/dbraw/zinc/98/24/83/598982483.db2.gz CGVGWWFPMZOYGC-UHFFFAOYSA-N -1 1 393.144 2.086 20 0 GEADMM O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089151 598986680 /nfs/dbraw/zinc/98/66/80/598986680.db2.gz UUDQBVNYLRNTQB-UHFFFAOYSA-N -1 1 385.840 2.497 20 0 GEADMM O=C(NCCc1nc2cc(Cl)ccc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089151 598986681 /nfs/dbraw/zinc/98/66/81/598986681.db2.gz UUDQBVNYLRNTQB-UHFFFAOYSA-N -1 1 385.840 2.497 20 0 GEADMM C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736287826 598993885 /nfs/dbraw/zinc/99/38/85/598993885.db2.gz GHGQGKRFJWIJRP-OKILXGFUSA-N -1 1 393.451 2.123 20 0 GEADMM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738040660 598996741 /nfs/dbraw/zinc/99/67/41/598996741.db2.gz RXTPVBCERYYBOX-UHFFFAOYSA-N -1 1 398.854 2.393 20 0 GEADMM O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738040660 598996743 /nfs/dbraw/zinc/99/67/43/598996743.db2.gz RXTPVBCERYYBOX-UHFFFAOYSA-N -1 1 398.854 2.393 20 0 GEADMM C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736058389 598997115 /nfs/dbraw/zinc/99/71/15/598997115.db2.gz LZPPCUYUZBDMIL-SNVBAGLBSA-N -1 1 387.241 2.385 20 0 GEADMM C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736058389 598997117 /nfs/dbraw/zinc/99/71/17/598997117.db2.gz LZPPCUYUZBDMIL-SNVBAGLBSA-N -1 1 387.241 2.385 20 0 GEADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(F)(F)F)c1 ZINC000737091524 599002369 /nfs/dbraw/zinc/00/23/69/599002369.db2.gz DIIMZQXWRXOLDZ-UHFFFAOYSA-N -1 1 378.314 2.219 20 0 GEADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(F)(F)F)c1 ZINC000737091524 599002370 /nfs/dbraw/zinc/00/23/70/599002370.db2.gz DIIMZQXWRXOLDZ-UHFFFAOYSA-N -1 1 378.314 2.219 20 0 GEADMM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738175340 599003767 /nfs/dbraw/zinc/00/37/67/599003767.db2.gz XLIIZFZINBUUNG-UHFFFAOYSA-N -1 1 397.292 2.188 20 0 GEADMM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738175340 599003769 /nfs/dbraw/zinc/00/37/69/599003769.db2.gz XLIIZFZINBUUNG-UHFFFAOYSA-N -1 1 397.292 2.188 20 0 GEADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000735640043 599000721 /nfs/dbraw/zinc/00/07/21/599000721.db2.gz VPPGWJYWNACYPJ-UHFFFAOYSA-N -1 1 382.384 2.256 20 0 GEADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000735640043 599000723 /nfs/dbraw/zinc/00/07/23/599000723.db2.gz VPPGWJYWNACYPJ-UHFFFAOYSA-N -1 1 382.384 2.256 20 0 GEADMM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736816649 599031132 /nfs/dbraw/zinc/03/11/32/599031132.db2.gz MBQFKSQMOHODKE-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736816649 599031133 /nfs/dbraw/zinc/03/11/33/599031133.db2.gz MBQFKSQMOHODKE-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820768058 599044311 /nfs/dbraw/zinc/04/43/11/599044311.db2.gz LJAXXLABRZWUTM-LBPRGKRZSA-N -1 1 396.455 2.256 20 0 GEADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820768058 599044314 /nfs/dbraw/zinc/04/43/14/599044314.db2.gz LJAXXLABRZWUTM-LBPRGKRZSA-N -1 1 396.455 2.256 20 0 GEADMM COc1ccc(CN2CC[C@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000737091722 599063748 /nfs/dbraw/zinc/06/37/48/599063748.db2.gz XUGUEUKGXUBDDZ-AWEZNQCLSA-N -1 1 399.842 2.137 20 0 GEADMM COc1ccc(CN2CC[C@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000737091722 599063751 /nfs/dbraw/zinc/06/37/51/599063751.db2.gz XUGUEUKGXUBDDZ-AWEZNQCLSA-N -1 1 399.842 2.137 20 0 GEADMM Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737375571 599098423 /nfs/dbraw/zinc/09/84/23/599098423.db2.gz FJVHTCHRTBGSLK-UHFFFAOYSA-N -1 1 391.840 2.416 20 0 GEADMM Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737375571 599098426 /nfs/dbraw/zinc/09/84/26/599098426.db2.gz FJVHTCHRTBGSLK-UHFFFAOYSA-N -1 1 391.840 2.416 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(CCOC[C@H]2CCCO2)c2ccc(Cl)cc12 ZINC000823658000 599126300 /nfs/dbraw/zinc/12/63/00/599126300.db2.gz XYVSVCAZFXYENB-GFCCVEGCSA-N -1 1 375.816 2.031 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736158894 599136027 /nfs/dbraw/zinc/13/60/27/599136027.db2.gz SRDNHTJAHGRGAN-MRVPVSSYSA-N -1 1 390.762 2.238 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cc(Cl)ccc1F ZINC000736158894 599136028 /nfs/dbraw/zinc/13/60/28/599136028.db2.gz SRDNHTJAHGRGAN-MRVPVSSYSA-N -1 1 390.762 2.238 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccc(Cl)c1Cl ZINC000737908906 599134996 /nfs/dbraw/zinc/13/49/96/599134996.db2.gz LUCQIKHCCUPHOZ-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccc(Cl)c1Cl ZINC000737908906 599134997 /nfs/dbraw/zinc/13/49/97/599134997.db2.gz LUCQIKHCCUPHOZ-UHFFFAOYSA-N -1 1 393.190 2.364 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC(C)(C)c1nccs1 ZINC000737201504 599166326 /nfs/dbraw/zinc/16/63/26/599166326.db2.gz TVWJAYAPTFDVPX-UHFFFAOYSA-N -1 1 387.469 2.025 20 0 GEADMM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821206839 599215995 /nfs/dbraw/zinc/21/59/95/599215995.db2.gz GCQDWZMQRTWVGB-UHFFFAOYSA-N -1 1 392.467 2.035 20 0 GEADMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)[C@@H](C)CO2)c1 ZINC000737322723 599229681 /nfs/dbraw/zinc/22/96/81/599229681.db2.gz MKYPKEDKFKYEME-KSSFIOAISA-N -1 1 378.436 2.481 20 0 GEADMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)[C@@H](C)CO2)c1 ZINC000737322723 599229684 /nfs/dbraw/zinc/22/96/84/599229684.db2.gz MKYPKEDKFKYEME-KSSFIOAISA-N -1 1 378.436 2.481 20 0 GEADMM COc1cccc([C@@H](CNC(=O)N2CCC(C(=O)[O-])CC2)N2CCCC2)c1 ZINC000739945367 596938936 /nfs/dbraw/zinc/93/89/36/596938936.db2.gz KCIHCPCTVNFZGL-GOSISDBHSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CCC(C(=O)[O-])CC1)N1CCCC1 ZINC000739956874 596939031 /nfs/dbraw/zinc/93/90/31/596939031.db2.gz GWQSWQJMFSLHST-QGZVFWFLSA-N -1 1 375.469 2.338 20 0 GEADMM O=C([O-])CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000740484815 597028759 /nfs/dbraw/zinc/02/87/59/597028759.db2.gz LDHJHQYFYKAZFJ-UHFFFAOYSA-N -1 1 386.788 2.094 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)N(C)C)cc1OC ZINC000818583039 597117064 /nfs/dbraw/zinc/11/70/64/597117064.db2.gz OJRLQVAZHRYTCF-GDBMZVCRSA-N -1 1 393.484 2.203 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000737270225 599242523 /nfs/dbraw/zinc/24/25/23/599242523.db2.gz LPSYINLUVPYZIS-MRXNPFEDSA-N -1 1 396.382 2.062 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000737270225 599242524 /nfs/dbraw/zinc/24/25/24/599242524.db2.gz LPSYINLUVPYZIS-MRXNPFEDSA-N -1 1 396.382 2.062 20 0 GEADMM C[C@@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)[O-] ZINC000818034592 597204577 /nfs/dbraw/zinc/20/45/77/597204577.db2.gz QJALCTOJIRETQR-CQSZACIVSA-N -1 1 376.457 2.486 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000818583032 597506059 /nfs/dbraw/zinc/50/60/59/597506059.db2.gz NYBGSCKUXAFHNF-WMZOPIPTSA-N -1 1 375.469 2.338 20 0 GEADMM CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821926879 607317107 /nfs/dbraw/zinc/31/71/07/607317107.db2.gz NTWMWBWFNIOCAU-UHFFFAOYSA-N -1 1 397.844 2.149 20 0 GEADMM CS(=O)(=O)CCOc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821926879 607317108 /nfs/dbraw/zinc/31/71/08/607317108.db2.gz NTWMWBWFNIOCAU-UHFFFAOYSA-N -1 1 397.844 2.149 20 0 GEADMM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000820620134 598022873 /nfs/dbraw/zinc/02/28/73/598022873.db2.gz GLUZQZZCLXIVPC-SJORKVTESA-N -1 1 385.395 2.024 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1ccccc1OC(F)F ZINC000823583543 607328456 /nfs/dbraw/zinc/32/84/56/607328456.db2.gz SUVNWAPSQLOCJO-UHFFFAOYSA-N -1 1 385.327 2.408 20 0 GEADMM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000323930614 598180351 /nfs/dbraw/zinc/18/03/51/598180351.db2.gz ZBLMHYFVMCEFEJ-UHFFFAOYSA-N -1 1 389.838 2.243 20 0 GEADMM COc1cc(Br)c(C=O)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826176879 608389966 /nfs/dbraw/zinc/38/99/66/608389966.db2.gz IEICGJRZQDHWFY-UHFFFAOYSA-N -1 1 377.158 2.033 20 0 GEADMM COc1cc(Br)c(C=O)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826176879 608389968 /nfs/dbraw/zinc/38/99/68/608389968.db2.gz IEICGJRZQDHWFY-UHFFFAOYSA-N -1 1 377.158 2.033 20 0 GEADMM Cc1cc(I)ccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000035391497 598189069 /nfs/dbraw/zinc/18/90/69/598189069.db2.gz RSULABZONXNBQL-CYBMUJFWSA-N -1 1 390.221 2.237 20 0 GEADMM CC(=O)Nc1ccc(C)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735485284 598251601 /nfs/dbraw/zinc/25/16/01/598251601.db2.gz SUFTYRUSYVRURU-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736712983 598261672 /nfs/dbraw/zinc/26/16/72/598261672.db2.gz LFKHZLQTIAUTFO-UHFFFAOYSA-N -1 1 398.448 2.391 20 0 GEADMM CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736712983 598261673 /nfs/dbraw/zinc/26/16/73/598261673.db2.gz LFKHZLQTIAUTFO-UHFFFAOYSA-N -1 1 398.448 2.391 20 0 GEADMM CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736822732 598266929 /nfs/dbraw/zinc/26/69/29/598266929.db2.gz RXQLUNDGXBIVEW-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736822732 598266931 /nfs/dbraw/zinc/26/69/31/598266931.db2.gz RXQLUNDGXBIVEW-UHFFFAOYSA-N -1 1 398.370 2.101 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1C(F)(F)F ZINC000736129256 598268342 /nfs/dbraw/zinc/26/83/42/598268342.db2.gz FEDBNJWAGBCZQW-VIFPVBQESA-N -1 1 398.370 2.320 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1C(F)(F)F ZINC000736129256 598268345 /nfs/dbraw/zinc/26/83/45/598268345.db2.gz FEDBNJWAGBCZQW-VIFPVBQESA-N -1 1 398.370 2.320 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000735671480 598269967 /nfs/dbraw/zinc/26/99/67/598269967.db2.gz WORJTYBNACRJIH-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000735671480 598269968 /nfs/dbraw/zinc/26/99/68/598269968.db2.gz WORJTYBNACRJIH-UHFFFAOYSA-N -1 1 392.872 2.171 20 0 GEADMM O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1cc(Br)ccc1[O-] ZINC000738099315 598306821 /nfs/dbraw/zinc/30/68/21/598306821.db2.gz GJQUOIGMRJNOOT-UHFFFAOYSA-N -1 1 392.188 2.404 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000737546563 598331995 /nfs/dbraw/zinc/33/19/95/598331995.db2.gz DQCILWVQUFMHMW-CYBMUJFWSA-N -1 1 392.423 2.302 20 0 GEADMM C[C@H](c1nc2ccccc2s1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736203971 598338311 /nfs/dbraw/zinc/33/83/11/598338311.db2.gz PUISMYCHTSUTER-GFCCVEGCSA-N -1 1 393.480 2.150 20 0 GEADMM C[C@H](c1nc2ccccc2s1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736203971 598338313 /nfs/dbraw/zinc/33/83/13/598338313.db2.gz PUISMYCHTSUTER-GFCCVEGCSA-N -1 1 393.480 2.150 20 0 GEADMM c1ccc(OCCOc2ccc(CNc3nccnc3-c3nnn[n-]3)cn2)cc1 ZINC000738434256 598346358 /nfs/dbraw/zinc/34/63/58/598346358.db2.gz BDQZWKNNCYZUAJ-UHFFFAOYSA-N -1 1 390.407 2.122 20 0 GEADMM c1ccc(OCCOc2ccc(CNc3nccnc3-c3nn[n-]n3)cn2)cc1 ZINC000738434256 598346360 /nfs/dbraw/zinc/34/63/60/598346360.db2.gz BDQZWKNNCYZUAJ-UHFFFAOYSA-N -1 1 390.407 2.122 20 0 GEADMM O[C@](CNc1nccnc1-c1nnn[n-]1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000738384502 598350489 /nfs/dbraw/zinc/35/04/89/598350489.db2.gz RKLSGNDDINXTKY-CYBMUJFWSA-N -1 1 385.737 2.172 20 0 GEADMM O[C@](CNc1nccnc1-c1nn[n-]n1)(c1ccc(Cl)cc1)C(F)(F)F ZINC000738384502 598350491 /nfs/dbraw/zinc/35/04/91/598350491.db2.gz RKLSGNDDINXTKY-CYBMUJFWSA-N -1 1 385.737 2.172 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2cccc(F)c2F)c(-c2nn[n-]n2)c1C ZINC000737553353 598361019 /nfs/dbraw/zinc/36/10/19/598361019.db2.gz UMCUBPYFRASPSA-UHFFFAOYSA-N -1 1 377.307 2.150 20 0 GEADMM CSc1nnc(CCCNc2cnc(-c3nnn[n-]3)cn2)n1C1CCCC1 ZINC000737188807 598385356 /nfs/dbraw/zinc/38/53/56/598385356.db2.gz HDJGYQCRCLCIOK-UHFFFAOYSA-N -1 1 386.489 2.130 20 0 GEADMM CSc1nnc(CCCNc2cnc(-c3nn[n-]n3)cn2)n1C1CCCC1 ZINC000737188807 598385358 /nfs/dbraw/zinc/38/53/58/598385358.db2.gz HDJGYQCRCLCIOK-UHFFFAOYSA-N -1 1 386.489 2.130 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCC[C@H](O)C1 ZINC000738266933 598401238 /nfs/dbraw/zinc/40/12/38/598401238.db2.gz DJGVVORSJRFAFN-ZDUSSCGKSA-N -1 1 383.383 2.395 20 0 GEADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCC[C@H](O)C1 ZINC000738266933 598401239 /nfs/dbraw/zinc/40/12/39/598401239.db2.gz DJGVVORSJRFAFN-ZDUSSCGKSA-N -1 1 383.383 2.395 20 0 GEADMM CC(C)OC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735891932 598401241 /nfs/dbraw/zinc/40/12/41/598401241.db2.gz ALPWCTJDVFGIPJ-UHFFFAOYSA-N -1 1 399.382 2.480 20 0 GEADMM CC(C)OC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735891932 598401242 /nfs/dbraw/zinc/40/12/42/598401242.db2.gz ALPWCTJDVFGIPJ-UHFFFAOYSA-N -1 1 399.382 2.480 20 0 GEADMM CCOCCN(CC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736620082 598465851 /nfs/dbraw/zinc/46/58/51/598465851.db2.gz VNLUZLZHFIXYJE-UHFFFAOYSA-N -1 1 376.486 2.360 20 0 GEADMM CC(C)CN(CC(C)C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735827106 598502134 /nfs/dbraw/zinc/50/21/34/598502134.db2.gz FFEODMRRZNMCNK-UHFFFAOYSA-N -1 1 382.468 2.322 20 0 GEADMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737616570 598516503 /nfs/dbraw/zinc/51/65/03/598516503.db2.gz UDNMVFQXLPLQEY-UHFFFAOYSA-N -1 1 381.421 2.068 20 0 GEADMM Cc1ccc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)nn1 ZINC000737350079 598545163 /nfs/dbraw/zinc/54/51/63/598545163.db2.gz DHXTZNNGIZGNGX-SECBINFHSA-N -1 1 377.865 2.156 20 0 GEADMM Cc1ccc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)nn1 ZINC000737350079 598545165 /nfs/dbraw/zinc/54/51/65/598545165.db2.gz DHXTZNNGIZGNGX-SECBINFHSA-N -1 1 377.865 2.156 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000737185714 598556084 /nfs/dbraw/zinc/55/60/84/598556084.db2.gz BTENJKIXBCBXJH-UHFFFAOYSA-N -1 1 376.467 2.331 20 0 GEADMM Clc1ccc(NC[C@H]2CN(Cc3ccccc3)CCO2)nc1-c1nnn[n-]1 ZINC000737574238 598571476 /nfs/dbraw/zinc/57/14/76/598571476.db2.gz NBTUJGXEIWMQJV-AWEZNQCLSA-N -1 1 385.859 2.228 20 0 GEADMM Clc1ccc(NC[C@H]2CN(Cc3ccccc3)CCO2)nc1-c1nn[n-]n1 ZINC000737574238 598571477 /nfs/dbraw/zinc/57/14/77/598571477.db2.gz NBTUJGXEIWMQJV-AWEZNQCLSA-N -1 1 385.859 2.228 20 0 GEADMM O=C(NC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)c1ccsc1 ZINC000738035451 598578005 /nfs/dbraw/zinc/57/80/05/598578005.db2.gz KUYIXGFHSPHOOU-UHFFFAOYSA-N -1 1 389.872 2.375 20 0 GEADMM O=C(NC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC000738035451 598578006 /nfs/dbraw/zinc/57/80/06/598578006.db2.gz KUYIXGFHSPHOOU-UHFFFAOYSA-N -1 1 389.872 2.375 20 0 GEADMM O=S(=O)(CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000738326871 598578093 /nfs/dbraw/zinc/57/80/93/598578093.db2.gz VPCWPPOSYFKRQT-UHFFFAOYSA-N -1 1 378.845 2.191 20 0 GEADMM O=S(=O)(CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000738326871 598578094 /nfs/dbraw/zinc/57/80/94/598578094.db2.gz VPCWPPOSYFKRQT-UHFFFAOYSA-N -1 1 378.845 2.191 20 0 GEADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736425273 598578782 /nfs/dbraw/zinc/57/87/82/598578782.db2.gz VFIJURNLMFDGCR-NWDGAFQWSA-N -1 1 377.880 2.436 20 0 GEADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736425273 598578784 /nfs/dbraw/zinc/57/87/84/598578784.db2.gz VFIJURNLMFDGCR-NWDGAFQWSA-N -1 1 377.880 2.436 20 0 GEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736165022 598618582 /nfs/dbraw/zinc/61/85/82/598618582.db2.gz RATLJHXLPAPUQN-QWRGUYRKSA-N -1 1 383.433 2.451 20 0 GEADMM CCc1nn(Cc2coc(-c3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708721 598642794 /nfs/dbraw/zinc/64/27/94/598642794.db2.gz ZBZOMVWGKNQUNN-UHFFFAOYSA-N -1 1 377.408 2.252 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1CCc2ccccc21 ZINC000737199057 598666656 /nfs/dbraw/zinc/66/66/56/598666656.db2.gz FODBXEXVWDFMKT-HNNXBMFYSA-N -1 1 392.463 2.363 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H](C)C(F)(F)F ZINC000826328267 607363960 /nfs/dbraw/zinc/36/39/60/607363960.db2.gz LGYHODZEGDKOSP-QMMMGPOBSA-N -1 1 397.361 2.200 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H](C)C(F)(F)F ZINC000826328267 607363962 /nfs/dbraw/zinc/36/39/62/607363962.db2.gz LGYHODZEGDKOSP-QMMMGPOBSA-N -1 1 397.361 2.200 20 0 GEADMM O=C(NCCCNc1snc(Cl)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738074401 598677727 /nfs/dbraw/zinc/67/77/27/598677727.db2.gz BWOBFCGHIJBOAY-UHFFFAOYSA-N -1 1 381.824 2.348 20 0 GEADMM O=C(NCCCNc1snc(Cl)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738074401 598677729 /nfs/dbraw/zinc/67/77/29/598677729.db2.gz BWOBFCGHIJBOAY-UHFFFAOYSA-N -1 1 381.824 2.348 20 0 GEADMM CN(Cc1cscn1)Cc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000736828780 598679942 /nfs/dbraw/zinc/67/99/42/598679942.db2.gz RYLKRBVYQQEYHP-UHFFFAOYSA-N -1 1 379.453 2.489 20 0 GEADMM CN(Cc1cscn1)Cc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000736828780 598679943 /nfs/dbraw/zinc/67/99/43/598679943.db2.gz RYLKRBVYQQEYHP-UHFFFAOYSA-N -1 1 379.453 2.489 20 0 GEADMM CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735457889 598686714 /nfs/dbraw/zinc/68/67/14/598686714.db2.gz GFNGCSXOVPCXIX-UHFFFAOYSA-N -1 1 390.396 2.295 20 0 GEADMM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736817296 598687100 /nfs/dbraw/zinc/68/71/00/598687100.db2.gz XFHDKZAFYLKEPR-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM CCOCc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736624642 598690074 /nfs/dbraw/zinc/69/00/74/598690074.db2.gz BQDNIIKEORVBGV-UHFFFAOYSA-N -1 1 391.428 2.021 20 0 GEADMM Cc1ccccc1CN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737427348 598719501 /nfs/dbraw/zinc/71/95/01/598719501.db2.gz DBCHNPMDSSLINQ-UHFFFAOYSA-N -1 1 388.431 2.149 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NC1CCCCC1 ZINC000737983442 598722115 /nfs/dbraw/zinc/72/21/15/598722115.db2.gz VPAIVQZOGPRBOH-UHFFFAOYSA-N -1 1 386.843 2.284 20 0 GEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCCC1=CCCCC1 ZINC000737982867 598722192 /nfs/dbraw/zinc/72/21/92/598722192.db2.gz SQDHUZRNIITRJJ-UHFFFAOYSA-N -1 1 378.436 2.188 20 0 GEADMM CC(C)(C)/C=C\C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735593874 598726938 /nfs/dbraw/zinc/72/69/38/598726938.db2.gz NDSKFXAVZCMCKQ-KTKRTIGZSA-N -1 1 395.423 2.136 20 0 GEADMM CC(C)(C)/C=C\C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735593874 598726939 /nfs/dbraw/zinc/72/69/39/598726939.db2.gz NDSKFXAVZCMCKQ-KTKRTIGZSA-N -1 1 395.423 2.136 20 0 GEADMM O=C(OCC(F)F)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738221835 598785517 /nfs/dbraw/zinc/78/55/17/598785517.db2.gz ZEZAVBDRNFZIHT-UHFFFAOYSA-N -1 1 394.338 2.139 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCC2CCOCC2)c1-c1nnn[n-]1 ZINC000737190047 598800724 /nfs/dbraw/zinc/80/07/24/598800724.db2.gz TZIPFBGQNYAUCD-UHFFFAOYSA-N -1 1 375.454 2.444 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)OCC2CCOCC2)c1-c1nn[n-]n1 ZINC000737190047 598800725 /nfs/dbraw/zinc/80/07/25/598800725.db2.gz TZIPFBGQNYAUCD-UHFFFAOYSA-N -1 1 375.454 2.444 20 0 GEADMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2)o1 ZINC000821516710 599305821 /nfs/dbraw/zinc/30/58/21/599305821.db2.gz AOZZKBICZMLFRC-UHFFFAOYSA-N -1 1 397.420 2.280 20 0 GEADMM CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736828376 599334256 /nfs/dbraw/zinc/33/42/56/599334256.db2.gz ODPAVTQXCUUKHX-UHFFFAOYSA-N -1 1 381.820 2.480 20 0 GEADMM C[C@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000820253457 599341867 /nfs/dbraw/zinc/34/18/67/599341867.db2.gz ISESTHBDTVLMHP-GFCCVEGCSA-N -1 1 375.429 2.430 20 0 GEADMM C[C@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000820253457 599341869 /nfs/dbraw/zinc/34/18/69/599341869.db2.gz ISESTHBDTVLMHP-GFCCVEGCSA-N -1 1 375.429 2.430 20 0 GEADMM CC[C@H](Cc1ccc(C)cc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820914603 599361743 /nfs/dbraw/zinc/36/17/43/599361743.db2.gz PWDGEZQTSVMTJI-OAHLLOKOSA-N -1 1 386.481 2.212 20 0 GEADMM CC[C@H](Cc1ccc(C)cc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820914603 599361746 /nfs/dbraw/zinc/36/17/46/599361746.db2.gz PWDGEZQTSVMTJI-OAHLLOKOSA-N -1 1 386.481 2.212 20 0 GEADMM C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820669026 599368640 /nfs/dbraw/zinc/36/86/40/599368640.db2.gz YTYFWVVIRFZFSN-BDJLRTHQSA-N -1 1 388.428 2.173 20 0 GEADMM C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820669026 599368643 /nfs/dbraw/zinc/36/86/43/599368643.db2.gz YTYFWVVIRFZFSN-BDJLRTHQSA-N -1 1 388.428 2.173 20 0 GEADMM CCc1ccc(CCNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1 ZINC000736683407 599375860 /nfs/dbraw/zinc/37/58/60/599375860.db2.gz QNRREHIQSQEJHQ-UHFFFAOYSA-N -1 1 394.479 2.438 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](c2ccccn2)C(C)C)cc1-c1nn[n-]n1 ZINC000821970389 599376701 /nfs/dbraw/zinc/37/67/01/599376701.db2.gz NDFBMJVNXZZFJY-CYBMUJFWSA-N -1 1 385.453 2.211 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000737548932 599393194 /nfs/dbraw/zinc/39/31/94/599393194.db2.gz RHHHQUYPYMMOQV-ZDUSSCGKSA-N -1 1 398.423 2.115 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000737548932 599393199 /nfs/dbraw/zinc/39/31/99/599393199.db2.gz RHHHQUYPYMMOQV-ZDUSSCGKSA-N -1 1 398.423 2.115 20 0 GEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736137012 599411922 /nfs/dbraw/zinc/41/19/22/599411922.db2.gz JQAJXZUILLSWCV-GFCCVEGCSA-N -1 1 379.424 2.092 20 0 GEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736137012 599411925 /nfs/dbraw/zinc/41/19/25/599411925.db2.gz JQAJXZUILLSWCV-GFCCVEGCSA-N -1 1 379.424 2.092 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000821977706 599445980 /nfs/dbraw/zinc/44/59/80/599445980.db2.gz JGBKODRNQVIGDE-RISCZKNCSA-N -1 1 382.449 2.050 20 0 GEADMM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820864186 599493991 /nfs/dbraw/zinc/49/39/91/599493991.db2.gz XDXCFJGWSVRXGF-YPMLDQLKSA-N -1 1 390.513 2.388 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N(C)CCc2cccs2)cc1-c1nn[n-]n1 ZINC000821969819 599494941 /nfs/dbraw/zinc/49/49/41/599494941.db2.gz FPJKADDWCUNFLY-UHFFFAOYSA-N -1 1 376.467 2.065 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000822459163 599548844 /nfs/dbraw/zinc/54/88/44/599548844.db2.gz OAILZINDHARYQJ-NEPJUHHUSA-N -1 1 382.472 2.106 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000822459163 599548846 /nfs/dbraw/zinc/54/88/46/599548846.db2.gz OAILZINDHARYQJ-NEPJUHHUSA-N -1 1 382.472 2.106 20 0 GEADMM CC1(C)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736210274 599593043 /nfs/dbraw/zinc/59/30/43/599593043.db2.gz CGQAFVQACICOBQ-UHFFFAOYSA-N -1 1 375.376 2.449 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCS1 ZINC000736291248 599593355 /nfs/dbraw/zinc/59/33/55/599593355.db2.gz UPEHMEBNKQTVLS-QMMMGPOBSA-N -1 1 393.416 2.012 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc(N)c(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000737551502 599609292 /nfs/dbraw/zinc/60/92/92/599609292.db2.gz IASYXEDDEHLSJM-UHFFFAOYSA-N -1 1 390.787 2.108 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1c2ccccc2OC[C@@H]1C ZINC000822005041 599634540 /nfs/dbraw/zinc/63/45/40/599634540.db2.gz NLJHWHOQQZCLFY-NSHDSACASA-N -1 1 394.435 2.331 20 0 GEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819835223 599650871 /nfs/dbraw/zinc/65/08/71/599650871.db2.gz UAQHHXRQSCPOQU-UHFFFAOYSA-N -1 1 380.404 2.493 20 0 GEADMM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819928694 599655823 /nfs/dbraw/zinc/65/58/23/599655823.db2.gz VOELBYWGEOTGPD-UHFFFAOYSA-N -1 1 380.408 2.398 20 0 GEADMM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819928694 599655824 /nfs/dbraw/zinc/65/58/24/599655824.db2.gz VOELBYWGEOTGPD-UHFFFAOYSA-N -1 1 380.408 2.398 20 0 GEADMM O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823393505 599661646 /nfs/dbraw/zinc/66/16/46/599661646.db2.gz YLXLUAVVFALQGW-HNNXBMFYSA-N -1 1 398.810 2.268 20 0 GEADMM O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823393505 599661647 /nfs/dbraw/zinc/66/16/47/599661647.db2.gz YLXLUAVVFALQGW-HNNXBMFYSA-N -1 1 398.810 2.268 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2c(F)cc(F)cc2F)c(-c2nn[n-]n2)c1C ZINC000822548469 599663232 /nfs/dbraw/zinc/66/32/32/599663232.db2.gz LBRFHMHNZQBWGK-UHFFFAOYSA-N -1 1 395.297 2.289 20 0 GEADMM Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)cc1 ZINC000570851159 599719823 /nfs/dbraw/zinc/71/98/23/599719823.db2.gz CVIVAPCGGSJGBW-OAHLLOKOSA-N -1 1 392.477 2.477 20 0 GEADMM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825044096 607390509 /nfs/dbraw/zinc/39/05/09/607390509.db2.gz NXEVVSQNXZEPDI-SFHVURJKSA-N -1 1 390.444 2.246 20 0 GEADMM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825044096 607390511 /nfs/dbraw/zinc/39/05/11/607390511.db2.gz NXEVVSQNXZEPDI-SFHVURJKSA-N -1 1 390.444 2.246 20 0 GEADMM CS[C@H]1CCCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821956630 607390927 /nfs/dbraw/zinc/39/09/27/607390927.db2.gz UAYJIYABJOXWCG-JTQLQIEISA-N -1 1 387.918 2.426 20 0 GEADMM CS[C@H]1CCCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821956630 607390929 /nfs/dbraw/zinc/39/09/29/607390929.db2.gz UAYJIYABJOXWCG-JTQLQIEISA-N -1 1 387.918 2.426 20 0 GEADMM CC(C)C[C@@H](NC(=O)CN1CCN(Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000736412643 599796816 /nfs/dbraw/zinc/79/68/16/599796816.db2.gz OQJUIGSJEHLJLO-GOSISDBHSA-N -1 1 375.513 2.198 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(C(=O)[O-])c1 ZINC000507599281 599801298 /nfs/dbraw/zinc/80/12/98/599801298.db2.gz AOOZICKNLYBMQY-UHFFFAOYSA-N -1 1 396.808 2.342 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736652351 599811298 /nfs/dbraw/zinc/81/12/98/599811298.db2.gz FMWMISZPYQAQAW-LBPRGKRZSA-N -1 1 380.404 2.337 20 0 GEADMM O=C([O-])CCc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000739756308 599811808 /nfs/dbraw/zinc/81/18/08/599811808.db2.gz NEPWRKWCTNQMIH-UHFFFAOYSA-N -1 1 380.404 2.339 20 0 GEADMM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1 ZINC000726520157 599813002 /nfs/dbraw/zinc/81/30/02/599813002.db2.gz ZPZJLOLCRDJJAJ-UHFFFAOYSA-N -1 1 399.428 2.240 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c(C(=O)[O-])s1 ZINC000737681624 599814527 /nfs/dbraw/zinc/81/45/27/599814527.db2.gz STOYUAYBINMHEH-UHFFFAOYSA-N -1 1 396.402 2.483 20 0 GEADMM CC(C)[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736352269 599827313 /nfs/dbraw/zinc/82/73/13/599827313.db2.gz JEORXNLVMBGLLI-SFHVURJKSA-N -1 1 376.501 2.097 20 0 GEADMM O=C([O-])c1ccc(CCNC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000740122578 599832243 /nfs/dbraw/zinc/83/22/43/599832243.db2.gz VMZHGNCMVVMQBX-UHFFFAOYSA-N -1 1 389.496 2.071 20 0 GEADMM COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477420165 599905275 /nfs/dbraw/zinc/90/52/75/599905275.db2.gz ATTXJHDCIMZESL-UHFFFAOYSA-N -1 1 378.406 2.461 20 0 GEADMM CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC[N@H+]1CCOC ZINC000736943147 599960483 /nfs/dbraw/zinc/96/04/83/599960483.db2.gz IMSSCKNMCSDSCA-AWEZNQCLSA-N -1 1 383.514 2.044 20 0 GEADMM CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CCN1CCOC ZINC000736943147 599960485 /nfs/dbraw/zinc/96/04/85/599960485.db2.gz IMSSCKNMCSDSCA-AWEZNQCLSA-N -1 1 383.514 2.044 20 0 GEADMM CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC[N@H+]1CCOC ZINC000736943148 599960973 /nfs/dbraw/zinc/96/09/73/599960973.db2.gz IMSSCKNMCSDSCA-CQSZACIVSA-N -1 1 383.514 2.044 20 0 GEADMM CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CCN1CCOC ZINC000736943148 599960974 /nfs/dbraw/zinc/96/09/74/599960974.db2.gz IMSSCKNMCSDSCA-CQSZACIVSA-N -1 1 383.514 2.044 20 0 GEADMM CCOCCN1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1CC ZINC000737177635 599962320 /nfs/dbraw/zinc/96/23/20/599962320.db2.gz YCGZKFCFUDTIRF-WMZOPIPTSA-N -1 1 391.512 2.453 20 0 GEADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736650371 599984355 /nfs/dbraw/zinc/98/43/55/599984355.db2.gz NHEYLBHITBDJGG-CZUORRHYSA-N -1 1 394.431 2.404 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c(C(=O)[O-])c1C ZINC000736173024 599997638 /nfs/dbraw/zinc/99/76/38/599997638.db2.gz NDHAWWSXFZRBKC-HNNXBMFYSA-N -1 1 383.448 2.286 20 0 GEADMM CN1CCN(C(C)(C)CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000737526881 600020729 /nfs/dbraw/zinc/02/07/29/600020729.db2.gz YIFXAHOLSXYPKE-UHFFFAOYSA-N -1 1 394.541 2.152 20 0 GEADMM CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000485333749 600025502 /nfs/dbraw/zinc/02/55/02/600025502.db2.gz XDXDCWBVOYBWJS-UHFFFAOYSA-N -1 1 392.433 2.043 20 0 GEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 ZINC000377919971 600026647 /nfs/dbraw/zinc/02/66/47/600026647.db2.gz UARYDMUMTMMCMR-UHFFFAOYSA-N -1 1 389.364 2.487 20 0 GEADMM CCN1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000737117185 600057205 /nfs/dbraw/zinc/05/72/05/600057205.db2.gz YHDCQBHAWPQOFE-UHFFFAOYSA-N -1 1 380.388 2.166 20 0 GEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000649453658 600081355 /nfs/dbraw/zinc/08/13/55/600081355.db2.gz YUDPJEKHANXWHA-QZTJIDSGSA-N -1 1 394.475 2.106 20 0 GEADMM CCC[C@](C)(NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000736962118 600151377 /nfs/dbraw/zinc/15/13/77/600151377.db2.gz XWPAFMSDGBXIPG-QRWLVFNGSA-N -1 1 376.453 2.354 20 0 GEADMM CCC[C@](C)(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)[O-] ZINC000736960125 600154015 /nfs/dbraw/zinc/15/40/15/600154015.db2.gz LDHDFOQJZCTYIS-IBGZPJMESA-N -1 1 399.894 2.356 20 0 GEADMM CCC[C@@](C)(NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(=O)[O-] ZINC000736965982 600156561 /nfs/dbraw/zinc/15/65/61/600156561.db2.gz YFHOUFBXQNPKLC-MRXNPFEDSA-N -1 1 399.373 2.458 20 0 GEADMM CCN(C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000652412752 600157170 /nfs/dbraw/zinc/15/71/70/600157170.db2.gz ZXLZLGGKEDJLSK-ICSRJNTNSA-N -1 1 398.459 2.252 20 0 GEADMM O=C([O-])CCCNC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000263309368 600172855 /nfs/dbraw/zinc/17/28/55/600172855.db2.gz YJZYWCFIMPSSSD-UHFFFAOYSA-N -1 1 382.892 2.016 20 0 GEADMM O=C([O-])CSCc1cccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000739873391 600184204 /nfs/dbraw/zinc/18/42/04/600184204.db2.gz PZULIAQWCAWAOA-IRXDYDNUSA-N -1 1 393.509 2.067 20 0 GEADMM CN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc21 ZINC000737507535 600236484 /nfs/dbraw/zinc/23/64/84/600236484.db2.gz LJUUDHYYPVTJPM-UHFFFAOYSA-N -1 1 396.371 2.373 20 0 GEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736218830 600305913 /nfs/dbraw/zinc/30/59/13/600305913.db2.gz TXZQKWGCBJGPQO-RHSMWYFYSA-N -1 1 385.464 2.327 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000737194345 600309337 /nfs/dbraw/zinc/30/93/37/600309337.db2.gz CGANJLXLMLJVKV-GOEBONIOSA-N -1 1 390.480 2.458 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736723471 600312511 /nfs/dbraw/zinc/31/25/11/600312511.db2.gz GHQAXRDAPBKGSK-CZUORRHYSA-N -1 1 399.422 2.414 20 0 GEADMM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN[C@](C)(CO)c1ccccc1 ZINC000737505505 600313061 /nfs/dbraw/zinc/31/30/61/600313061.db2.gz LTRSPYPIBMHVHR-SIKLNZKXSA-N -1 1 395.459 2.219 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738405001 600317736 /nfs/dbraw/zinc/31/77/36/600317736.db2.gz FXIQOPYKNKZRAG-QGZVFWFLSA-N -1 1 386.496 2.465 20 0 GEADMM CCN(CC)C(=O)c1ccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000737083980 600319285 /nfs/dbraw/zinc/31/92/85/600319285.db2.gz FKUDRVNDQUXXBD-UHFFFAOYSA-N -1 1 375.469 2.484 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCN1CCOC ZINC000736937465 600337728 /nfs/dbraw/zinc/33/77/28/600337728.db2.gz HESDBYJLZWKLBX-INIZCTEOSA-N -1 1 379.457 2.115 20 0 GEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000736204134 600429953 /nfs/dbraw/zinc/42/99/53/600429953.db2.gz GOLXXQYPPACSCT-AWEZNQCLSA-N -1 1 382.464 2.364 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738164805 600450101 /nfs/dbraw/zinc/45/01/01/600450101.db2.gz ZGKVNLTZJIQSPG-CQSZACIVSA-N -1 1 385.344 2.319 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000737913037 600463447 /nfs/dbraw/zinc/46/34/47/600463447.db2.gz XHKWUDWQMATHNT-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)Nc3ccc(CC(=O)[O-])cc3)n[nH]2)cc1 ZINC000737913037 600463449 /nfs/dbraw/zinc/46/34/49/600463449.db2.gz XHKWUDWQMATHNT-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM O=C([O-])c1cccc(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000740235750 600463748 /nfs/dbraw/zinc/46/37/48/600463748.db2.gz MAODOMSQEINMFR-UHFFFAOYSA-N -1 1 398.550 2.415 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736649534 600464477 /nfs/dbraw/zinc/46/44/77/600464477.db2.gz IDHRUUSHEAVSLM-LBPRGKRZSA-N -1 1 395.419 2.130 20 0 GEADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000739721261 600502213 /nfs/dbraw/zinc/50/22/13/600502213.db2.gz FNCRQIOKQWMMAZ-LLVKDONJSA-N -1 1 396.241 2.421 20 0 GEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000740249536 600516370 /nfs/dbraw/zinc/51/63/70/600516370.db2.gz YGSBLYWOPGZLIW-UHFFFAOYSA-N -1 1 389.311 2.081 20 0 GEADMM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000736661846 600522371 /nfs/dbraw/zinc/52/23/71/600522371.db2.gz ITTOBEJNZBFLPJ-KGLIPLIRSA-N -1 1 395.459 2.259 20 0 GEADMM CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000568061903 600542407 /nfs/dbraw/zinc/54/24/07/600542407.db2.gz WJTYAHQESCGYRN-UHFFFAOYSA-N -1 1 394.415 2.173 20 0 GEADMM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000042796366 600542679 /nfs/dbraw/zinc/54/26/79/600542679.db2.gz GXEIFPIFMHYVTC-UHFFFAOYSA-N -1 1 383.353 2.120 20 0 GEADMM CC(C)CN1CCN(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000736443106 600546657 /nfs/dbraw/zinc/54/66/57/600546657.db2.gz OIVBPTQEJFKMMG-UHFFFAOYSA-N -1 1 377.485 2.413 20 0 GEADMM Cc1oc(NC(=O)CN2C[C@@H](C)Oc3cc(F)ccc32)c(-c2nn[n-]n2)c1C ZINC000822548273 607453292 /nfs/dbraw/zinc/45/32/92/607453292.db2.gz GWNWKOCRSJBXIL-SECBINFHSA-N -1 1 386.387 2.442 20 0 GEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000481962436 600625429 /nfs/dbraw/zinc/62/54/29/600625429.db2.gz HYEPOGHOIHYLAF-UHFFFAOYSA-N -1 1 392.824 2.349 20 0 GEADMM COc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(OC)c1OC ZINC000481970286 600629027 /nfs/dbraw/zinc/62/90/27/600629027.db2.gz QDAGDAVJVJEZKY-UHFFFAOYSA-N -1 1 381.406 2.140 20 0 GEADMM COCCN(CCC(=O)[O-])CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000737794040 600641482 /nfs/dbraw/zinc/64/14/82/600641482.db2.gz IGJOBYCJLLKMSR-UHFFFAOYSA-N -1 1 385.464 2.207 20 0 GEADMM C[C@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)N1CCc2ccccc2C1 ZINC000736598557 600642866 /nfs/dbraw/zinc/64/28/66/600642866.db2.gz MALKXLQJRBRVAG-MRXNPFEDSA-N -1 1 397.475 2.396 20 0 GEADMM CN(C)[C@@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccs1 ZINC000737358751 600647204 /nfs/dbraw/zinc/64/72/04/600647204.db2.gz PEODRKLQYPHGOP-HNNXBMFYSA-N -1 1 377.466 2.314 20 0 GEADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000737529191 600654999 /nfs/dbraw/zinc/65/49/99/600654999.db2.gz UAKNNRRSBIQMPP-UHFFFAOYSA-N -1 1 381.476 2.404 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2cccc(Br)n2)cc1C(=O)[O-] ZINC000738069553 600659575 /nfs/dbraw/zinc/65/95/75/600659575.db2.gz KNJBKPATQQZPAP-UHFFFAOYSA-N -1 1 387.211 2.352 20 0 GEADMM CC(=O)Nc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000509644672 600673650 /nfs/dbraw/zinc/67/36/50/600673650.db2.gz WPJZHJQHLYDOMS-UHFFFAOYSA-N -1 1 391.327 2.491 20 0 GEADMM Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cn2)n1 ZINC000614791779 600674542 /nfs/dbraw/zinc/67/45/42/600674542.db2.gz HJYQGTXSWYNMAM-UHFFFAOYSA-N -1 1 378.435 2.445 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c[nH]1 ZINC000509596247 600677367 /nfs/dbraw/zinc/67/73/67/600677367.db2.gz OJGYZRRIYVBQQP-UHFFFAOYSA-N -1 1 399.428 2.444 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(CSCCC(=O)[O-])c2)c[nH]1 ZINC000831348502 600681457 /nfs/dbraw/zinc/68/14/57/600681457.db2.gz VOGXULZMIPNWEM-UHFFFAOYSA-N -1 1 398.462 2.310 20 0 GEADMM Cc1cc(S(=O)(=O)NC[C@H](Cc2ccccc2)N(C)C)ccc1C(=O)[O-] ZINC000505816623 600691984 /nfs/dbraw/zinc/69/19/84/600691984.db2.gz ZGBOJLFLDHKSIX-INIZCTEOSA-N -1 1 376.478 2.144 20 0 GEADMM Cn1cc(S(=O)(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1C(=O)[O-] ZINC000379609988 600775963 /nfs/dbraw/zinc/77/59/63/600775963.db2.gz OQMVKUGQTXNKKN-MRXNPFEDSA-N -1 1 391.493 2.056 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1C(=O)[O-] ZINC000298238059 600809604 /nfs/dbraw/zinc/80/96/04/600809604.db2.gz JIDJPWUAQWKUTH-UHFFFAOYSA-N -1 1 399.856 2.014 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1C(=O)[O-] ZINC000299311311 600813137 /nfs/dbraw/zinc/81/31/37/600813137.db2.gz WRYQVMYARCBBLT-HNNXBMFYSA-N -1 1 390.421 2.252 20 0 GEADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)[nH]c2c1 ZINC000832958650 600863765 /nfs/dbraw/zinc/86/37/65/600863765.db2.gz FFOKKGVTZKYLEO-UHFFFAOYSA-N -1 1 388.330 2.103 20 0 GEADMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc3c(c2)COC3)c1OC ZINC000467301955 600898887 /nfs/dbraw/zinc/89/88/87/600898887.db2.gz UQKHFCPYABWICL-UHFFFAOYSA-N -1 1 379.390 2.233 20 0 GEADMM Cn1c(=O)c2ccc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)cc2[nH]c1=S ZINC000739013232 600911929 /nfs/dbraw/zinc/91/19/29/600911929.db2.gz CTRQOEWLWUCVJC-LBPRGKRZSA-N -1 1 395.440 2.441 20 0 GEADMM CCN(CC)[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000676214238 600930103 /nfs/dbraw/zinc/93/01/03/600930103.db2.gz QOBIOFWCNOCWSS-HUUCEWRRSA-N -1 1 388.386 2.400 20 0 GEADMM Fc1cccc(Cl)c1CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826377563 607480761 /nfs/dbraw/zinc/48/07/61/607480761.db2.gz WZOLEINRKQWZRG-UHFFFAOYSA-N -1 1 387.850 2.372 20 0 GEADMM C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000828499477 600980449 /nfs/dbraw/zinc/98/04/49/600980449.db2.gz ADYCCPXCFWTAEF-VXGBXAGGSA-N -1 1 379.438 2.127 20 0 GEADMM C[C@@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C(=O)NCC(=O)[O-] ZINC000736715727 600986431 /nfs/dbraw/zinc/98/64/31/600986431.db2.gz GJDDTERRJGBZQO-ZCFIWIBFSA-N -1 1 375.237 2.460 20 0 GEADMM C[C@@H]1CN(c2ccc(NC(=O)CN3CCC[C@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000274185638 601032496 /nfs/dbraw/zinc/03/24/96/601032496.db2.gz JTXORWRNLZWGBW-OAGGEKHMSA-N -1 1 375.469 2.035 20 0 GEADMM CC[C@@H](CO)N1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000828891436 601034776 /nfs/dbraw/zinc/03/47/76/601034776.db2.gz XNRJFOQQOXDXJZ-KRWDZBQOSA-N -1 1 375.494 2.397 20 0 GEADMM CCN(CC(=O)[O-])C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000829623825 601083173 /nfs/dbraw/zinc/08/31/73/601083173.db2.gz BHZGGBHIVCPKIX-UHFFFAOYSA-N -1 1 377.466 2.179 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000630221593 601086019 /nfs/dbraw/zinc/08/60/19/601086019.db2.gz AACLNKOCJLJDKY-OAHLLOKOSA-N -1 1 382.464 2.371 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000630221186 601086262 /nfs/dbraw/zinc/08/62/62/601086262.db2.gz VKEMAWDHDPUYKE-LBPRGKRZSA-N -1 1 398.385 2.063 20 0 GEADMM COc1ccc(Cl)cc1NCCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630223975 601087663 /nfs/dbraw/zinc/08/76/63/601087663.db2.gz MXJKGRLLPLRABV-ZDUSSCGKSA-N -1 1 383.876 2.158 20 0 GEADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000826118390 601090224 /nfs/dbraw/zinc/09/02/24/601090224.db2.gz IQQXBTIZMYELNB-IAGOWNOFSA-N -1 1 375.469 2.112 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 ZINC000827378826 601094303 /nfs/dbraw/zinc/09/43/03/601094303.db2.gz AIIDJRVSFWQFFB-CQSZACIVSA-N -1 1 375.469 2.292 20 0 GEADMM O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)c2[nH]nc3c2CCCC3)C1=O ZINC000833339306 601101484 /nfs/dbraw/zinc/10/14/84/601101484.db2.gz VXTJEQKWFXJLTM-GFCCVEGCSA-N -1 1 375.406 2.011 20 0 GEADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832699950 601102449 /nfs/dbraw/zinc/10/24/49/601102449.db2.gz SWAPSMUCCMYWDM-AWEZNQCLSA-N -1 1 385.344 2.319 20 0 GEADMM Cc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cnn1-c1ccc(Cl)cc1 ZINC000630222489 601103922 /nfs/dbraw/zinc/10/39/22/601103922.db2.gz FQQPFVYRYZFTRK-CYBMUJFWSA-N -1 1 390.871 2.455 20 0 GEADMM CSc1ncc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1-c1ccccc1 ZINC000832799467 601105244 /nfs/dbraw/zinc/10/52/44/601105244.db2.gz SSFHZXQMLVDWGH-AWEZNQCLSA-N -1 1 388.493 2.215 20 0 GEADMM Cc1nc(CN(C)[C@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)no1 ZINC000738853944 601114170 /nfs/dbraw/zinc/11/41/70/601114170.db2.gz AFLZCSABLVSJIB-AWEZNQCLSA-N -1 1 394.859 2.315 20 0 GEADMM O=C([O-])C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c2ccccc21 ZINC000833216470 601122251 /nfs/dbraw/zinc/12/22/51/601122251.db2.gz GNOMBSHKXDVLFP-LBPRGKRZSA-N -1 1 395.440 2.290 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000827375154 601124113 /nfs/dbraw/zinc/12/41/13/601124113.db2.gz RUZQSBLTUHMIGD-ZDUSSCGKSA-N -1 1 389.481 2.142 20 0 GEADMM CCOc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1OCC ZINC000830084313 601126635 /nfs/dbraw/zinc/12/66/35/601126635.db2.gz AHABBMYNLLLUPZ-CQSZACIVSA-N -1 1 379.457 2.497 20 0 GEADMM CC(C)C(=O)Nc1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000826658155 601127377 /nfs/dbraw/zinc/12/73/77/601127377.db2.gz JKLZAAGQPHEJMW-CQSZACIVSA-N -1 1 376.457 2.294 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(N3CCCCC3=O)c2)CC1 ZINC000827368717 601127420 /nfs/dbraw/zinc/12/74/20/601127420.db2.gz IDXHKABZSVBKDK-OAHLLOKOSA-N -1 1 388.468 2.216 20 0 GEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000827369103 601129936 /nfs/dbraw/zinc/12/99/36/601129936.db2.gz OCQAOOONZGXQSR-LBPRGKRZSA-N -1 1 375.454 2.218 20 0 GEADMM Cc1cc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1C(=O)NC(C)C ZINC000832895579 601133346 /nfs/dbraw/zinc/13/33/46/601133346.db2.gz ZPZYCJNNQDJKRD-HNNXBMFYSA-N -1 1 390.484 2.146 20 0 GEADMM Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1C(=O)[O-] ZINC000832939143 601166646 /nfs/dbraw/zinc/16/66/46/601166646.db2.gz GGEQBHVEEJASRT-SFHVURJKSA-N -1 1 395.459 2.413 20 0 GEADMM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000826055288 601203028 /nfs/dbraw/zinc/20/30/28/601203028.db2.gz XVDSDFBJNCGTHZ-FZKQIMNGSA-N -1 1 390.461 2.080 20 0 GEADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000379619553 601227623 /nfs/dbraw/zinc/22/76/23/601227623.db2.gz QMOPIBFHQCTPCC-HIFRSBDPSA-N -1 1 377.466 2.044 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCCC[C@@H]1C ZINC000828258880 601231438 /nfs/dbraw/zinc/23/14/38/601231438.db2.gz UUFQSDOIUKXTPS-QWRGUYRKSA-N -1 1 376.425 2.204 20 0 GEADMM C[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCC(C)CC1 ZINC000828285245 601232658 /nfs/dbraw/zinc/23/26/58/601232658.db2.gz LUXOPELBBRQDTM-LLVKDONJSA-N -1 1 376.425 2.062 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1F ZINC000390558538 601245023 /nfs/dbraw/zinc/24/50/23/601245023.db2.gz RHGGTZQGBHLVHP-HNNXBMFYSA-N -1 1 392.452 2.467 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC000630223608 601290932 /nfs/dbraw/zinc/29/09/32/601290932.db2.gz KEBYJPDQODJKOE-CYBMUJFWSA-N -1 1 384.436 2.235 20 0 GEADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000826118314 601312128 /nfs/dbraw/zinc/31/21/28/601312128.db2.gz FODQEWGNFWTIGQ-UHFFFAOYSA-N -1 1 375.469 2.377 20 0 GEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1NC(C)=O ZINC000043587573 601321558 /nfs/dbraw/zinc/32/15/58/601321558.db2.gz GZROIMHEMTYKOB-UHFFFAOYSA-N -1 1 394.405 2.161 20 0 GEADMM C[C@@H](Sc1ccccc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1)C(=O)[O-] ZINC000827915651 601330892 /nfs/dbraw/zinc/33/08/92/601330892.db2.gz PRVBFBPPVYEVBD-CABCVRRESA-N -1 1 378.494 2.046 20 0 GEADMM CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)o1 ZINC000829885543 601475391 /nfs/dbraw/zinc/47/53/91/601475391.db2.gz PUOUVBXFKFJDHF-UHFFFAOYSA-N -1 1 375.305 2.234 20 0 GEADMM Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832848944 601489298 /nfs/dbraw/zinc/48/92/98/601489298.db2.gz PSDOYLXFAPBNFJ-UHFFFAOYSA-N -1 1 376.438 2.043 20 0 GEADMM Cc1ccccc1CN1CCCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000832980167 601507630 /nfs/dbraw/zinc/50/76/30/601507630.db2.gz WGTPAQROFPBELF-UHFFFAOYSA-N -1 1 380.510 2.087 20 0 GEADMM O=C([O-])CC1(CS(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000833202911 601512129 /nfs/dbraw/zinc/51/21/29/601512129.db2.gz SQFMECLUVXOVMY-CQSZACIVSA-N -1 1 386.539 2.134 20 0 GEADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000567409143 601541144 /nfs/dbraw/zinc/54/11/44/601541144.db2.gz RTSPABPZRKRWFG-GOEBONIOSA-N -1 1 391.493 2.364 20 0 GEADMM CCCCNC(=O)C1(NCC(=O)NC2(C(=O)[O-])CCCCC2)CCCCC1 ZINC000829394882 601598243 /nfs/dbraw/zinc/59/82/43/601598243.db2.gz AXXVVSNKNBNMQT-UHFFFAOYSA-N -1 1 381.517 2.099 20 0 GEADMM CCC(CC)(CC(=O)[O-])[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000828804718 601634704 /nfs/dbraw/zinc/63/47/04/601634704.db2.gz QXDPVFBAINBWTB-UHFFFAOYSA-N -1 1 381.454 2.203 20 0 GEADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000826004284 607518934 /nfs/dbraw/zinc/51/89/34/607518934.db2.gz QQLSQSCFKGDEAW-CYBMUJFWSA-N -1 1 391.357 2.014 20 0 GEADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000826004284 607518935 /nfs/dbraw/zinc/51/89/35/607518935.db2.gz QQLSQSCFKGDEAW-CYBMUJFWSA-N -1 1 391.357 2.014 20 0 GEADMM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000826054317 601653193 /nfs/dbraw/zinc/65/31/93/601653193.db2.gz LZYDVMNASZCFTJ-SCLBCKFNSA-N -1 1 390.461 2.080 20 0 GEADMM O=C([O-])[C@]1(F)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000262775869 601655337 /nfs/dbraw/zinc/65/53/37/601655337.db2.gz NBOWGULYYBQAHK-HNNXBMFYSA-N -1 1 382.189 2.478 20 0 GEADMM COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)ccc1Br ZINC000832097915 601783395 /nfs/dbraw/zinc/78/33/95/601783395.db2.gz PZGWYKBNVMQIAJ-UHFFFAOYSA-N -1 1 389.227 2.295 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)N1CCCC1 ZINC000832595667 601803123 /nfs/dbraw/zinc/80/31/23/601803123.db2.gz NASIFDRTCCZJTQ-XIRDDKMYSA-N -1 1 375.469 2.194 20 0 GEADMM CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000829519867 601835915 /nfs/dbraw/zinc/83/59/15/601835915.db2.gz VXWVWANATOYEAC-UHFFFAOYSA-N -1 1 397.840 2.374 20 0 GEADMM CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000826976493 601836740 /nfs/dbraw/zinc/83/67/40/601836740.db2.gz ZYPIHKKHCMBMIA-UHFFFAOYSA-N -1 1 397.840 2.372 20 0 GEADMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)cc21 ZINC000547545187 601840345 /nfs/dbraw/zinc/84/03/45/601840345.db2.gz GDBSVDUPAQMYJS-UHFFFAOYSA-N -1 1 376.390 2.121 20 0 GEADMM CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217788 601841029 /nfs/dbraw/zinc/84/10/29/601841029.db2.gz TWJWALXYAHSVKQ-UHFFFAOYSA-N -1 1 395.887 2.314 20 0 GEADMM COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000832000623 601850170 /nfs/dbraw/zinc/85/01/70/601850170.db2.gz WWKFECKXMMOYPK-SCLBCKFNSA-N -1 1 380.828 2.086 20 0 GEADMM CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000830140279 601856048 /nfs/dbraw/zinc/85/60/48/601856048.db2.gz IUQIKCDXVLILER-UHFFFAOYSA-N -1 1 387.410 2.118 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CC2)CC1 ZINC000828225625 601857654 /nfs/dbraw/zinc/85/76/54/601857654.db2.gz HYVHKLHOSSJDHQ-UHFFFAOYSA-N -1 1 391.443 2.185 20 0 GEADMM CC(C)N(C)CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)[O-] ZINC000738834296 601884809 /nfs/dbraw/zinc/88/48/09/601884809.db2.gz LMOPENMNPAHJBY-AWEZNQCLSA-N -1 1 377.441 2.265 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)C1 ZINC000828029081 601890778 /nfs/dbraw/zinc/89/07/78/601890778.db2.gz PIGOTEJDEHEMSB-IRXDYDNUSA-N -1 1 383.807 2.000 20 0 GEADMM CC(C)Cc1ccc([C@@]2(C)NC(=O)N(CN3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000826913151 601895470 /nfs/dbraw/zinc/89/54/70/601895470.db2.gz PFCBSVDGGURIKL-LEWJYISDSA-N -1 1 387.480 2.406 20 0 GEADMM COCc1cccc(CNC(=O)CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000739842243 601924897 /nfs/dbraw/zinc/92/48/97/601924897.db2.gz BLNAGZOVQIYZKV-MOPGFXCFSA-N -1 1 389.496 2.446 20 0 GEADMM COC(=O)c1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000739784749 601934930 /nfs/dbraw/zinc/93/49/30/601934930.db2.gz QFOWHSWRJYWBFK-UHFFFAOYSA-N -1 1 375.425 2.019 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000828168813 601968905 /nfs/dbraw/zinc/96/89/05/601968905.db2.gz QZMUWKQONWXVEK-CJNGLKHVSA-N -1 1 399.422 2.242 20 0 GEADMM Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832942596 601969925 /nfs/dbraw/zinc/96/99/25/601969925.db2.gz YUFNUTNKCPAJPV-QAPCUYQASA-N -1 1 395.459 2.411 20 0 GEADMM CC(C)(C)c1csc(CS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824135132 607537094 /nfs/dbraw/zinc/53/70/94/607537094.db2.gz AYAJVJKSZFZKCW-UHFFFAOYSA-N -1 1 378.483 2.131 20 0 GEADMM CC(C)(C)c1csc(CS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000824135132 607537096 /nfs/dbraw/zinc/53/70/96/607537096.db2.gz AYAJVJKSZFZKCW-UHFFFAOYSA-N -1 1 378.483 2.131 20 0 GEADMM c1cc(CSc2nnc(N3CCCCC3)n2C2CC2)cc(-c2nnn[n-]2)n1 ZINC000826516419 607537830 /nfs/dbraw/zinc/53/78/30/607537830.db2.gz KIJBHZXHEMORTN-UHFFFAOYSA-N -1 1 383.485 2.471 20 0 GEADMM c1cc(CSc2nnc(N3CCCCC3)n2C2CC2)cc(-c2nn[n-]n2)n1 ZINC000826516419 607537831 /nfs/dbraw/zinc/53/78/31/607537831.db2.gz KIJBHZXHEMORTN-UHFFFAOYSA-N -1 1 383.485 2.471 20 0 GEADMM O=C([O-])N1CCC(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000740417199 602058495 /nfs/dbraw/zinc/05/84/95/602058495.db2.gz PKANHVZHQXVBJH-MRXNPFEDSA-N -1 1 378.473 2.496 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)N3CC[C@@](C)(C(=O)[O-])C3)CC2)c1 ZINC000262911254 602058695 /nfs/dbraw/zinc/05/86/95/602058695.db2.gz DQYNDTFBSQQNOQ-OAQYLSRUSA-N -1 1 388.512 2.013 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000776209465 602058754 /nfs/dbraw/zinc/05/87/54/602058754.db2.gz VJRVLUHHSJZELQ-UHFFFAOYSA-N -1 1 383.429 2.090 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](CNC(=O)[O-])C1)N1CCCC1 ZINC000739958438 602062013 /nfs/dbraw/zinc/06/20/13/602062013.db2.gz LMWMHFLEWOPPCR-RDJZCZTQSA-N -1 1 390.484 2.131 20 0 GEADMM CN1CCN(C[C@@H](NC(=O)c2ccc(CNC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000739736617 602103121 /nfs/dbraw/zinc/10/31/21/602103121.db2.gz GTYQFVQRLHERKC-HXUWFJFHSA-N -1 1 396.491 2.173 20 0 GEADMM O=C([O-])NC[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000740640381 602103327 /nfs/dbraw/zinc/10/33/27/602103327.db2.gz KTXJGUXCNYQLSA-HNNXBMFYSA-N -1 1 378.448 2.089 20 0 GEADMM CC(C)c1cc(CNS(=O)(=O)c2cc(C(=O)[O-])oc2Br)on1 ZINC000761296122 602155443 /nfs/dbraw/zinc/15/54/43/602155443.db2.gz DVBQMOPJZGFYQH-UHFFFAOYSA-N -1 1 393.215 2.330 20 0 GEADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000833293839 602157687 /nfs/dbraw/zinc/15/76/87/602157687.db2.gz AYJZZHCHGOJKJA-UHFFFAOYSA-N -1 1 375.175 2.482 20 0 GEADMM O=C(NCC(F)(F)F)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826432945 607547972 /nfs/dbraw/zinc/54/79/72/607547972.db2.gz QBQUEIJBJYGHOJ-UHFFFAOYSA-N -1 1 377.330 2.166 20 0 GEADMM O=C(NCC(F)(F)F)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826432945 607547973 /nfs/dbraw/zinc/54/79/73/607547973.db2.gz QBQUEIJBJYGHOJ-UHFFFAOYSA-N -1 1 377.330 2.166 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)cc1C(=O)[O-] ZINC000484105724 602175115 /nfs/dbraw/zinc/17/51/15/602175115.db2.gz LAJXPUYUNYLCCX-UHFFFAOYSA-N -1 1 397.416 2.462 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc2)C[C@H](C)O1 ZINC000824977953 607548515 /nfs/dbraw/zinc/54/85/15/607548515.db2.gz TWZAXNMXVFJIEK-OKILXGFUSA-N -1 1 393.451 2.123 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc2)C[C@H](C)O1 ZINC000824977953 607548517 /nfs/dbraw/zinc/54/85/17/607548517.db2.gz TWZAXNMXVFJIEK-OKILXGFUSA-N -1 1 393.451 2.123 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C2(C)OCCO2)CC1 ZINC000832914473 602213850 /nfs/dbraw/zinc/21/38/50/602213850.db2.gz FRYHXPHUOGFZPB-CQSZACIVSA-N -1 1 376.453 2.495 20 0 GEADMM C[C@H]1CCC[C@H](C)N1CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000828237758 602219812 /nfs/dbraw/zinc/21/98/12/602219812.db2.gz FWGHAQQLMCFLBF-STQMWFEESA-N -1 1 397.497 2.173 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)NC(=O)[O-])c2C1 ZINC000738896723 602227667 /nfs/dbraw/zinc/22/76/67/602227667.db2.gz PNZWXUNWVPWXEN-KBPBESRZSA-N -1 1 390.484 2.148 20 0 GEADMM CN(C)C(=O)CCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000830547579 602238946 /nfs/dbraw/zinc/23/89/46/602238946.db2.gz ZNMPIXDKXOHCEE-MRXNPFEDSA-N -1 1 388.295 2.215 20 0 GEADMM O=C([O-])N1CCc2cc(NS(=O)(=O)c3cccc4c3OCCO4)ccc21 ZINC000740528998 602244219 /nfs/dbraw/zinc/24/42/19/602244219.db2.gz FVAFTTGYVYWSBG-UHFFFAOYSA-N -1 1 376.390 2.299 20 0 GEADMM CS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc(C(=O)[O-])c1 ZINC000539604784 602251891 /nfs/dbraw/zinc/25/18/91/602251891.db2.gz CRTXFSWCKSHMPA-UHFFFAOYSA-N -1 1 391.430 2.492 20 0 GEADMM O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2[nH]nnc2c1 ZINC000833312841 602319622 /nfs/dbraw/zinc/31/96/22/602319622.db2.gz YAPDHLJHDBDSIT-UHFFFAOYSA-N -1 1 386.311 2.476 20 0 GEADMM CC(C)CO[C@H]1CCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)C1 ZINC000826895550 602342164 /nfs/dbraw/zinc/34/21/64/602342164.db2.gz PVHYFSSMKLICNP-LPHOPBHVSA-N -1 1 387.480 2.468 20 0 GEADMM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738624473 602383131 /nfs/dbraw/zinc/38/31/31/602383131.db2.gz LFINOISAEUKGEG-RHSMWYFYSA-N -1 1 375.469 2.337 20 0 GEADMM CC(C)N(CCCNC(=O)Nc1ccccc1N1CCN(C)CC1)C(=O)[O-] ZINC000738846504 602391176 /nfs/dbraw/zinc/39/11/76/602391176.db2.gz MIQWVTIWZAWNJK-UHFFFAOYSA-N -1 1 377.489 2.338 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)N2CCCN(Cc3ccccc3)CC2)cc1F ZINC000833154872 602402997 /nfs/dbraw/zinc/40/29/97/602402997.db2.gz QXNXKKYCWTZZBR-UHFFFAOYSA-N -1 1 399.422 2.197 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000739030272 602446517 /nfs/dbraw/zinc/44/65/17/602446517.db2.gz ZCXNHHRHUIPBCF-RDTXWAMCSA-N -1 1 393.459 2.094 20 0 GEADMM COc1ccc(CNC(=O)[C@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1OC ZINC000739908415 602450214 /nfs/dbraw/zinc/45/02/14/602450214.db2.gz RVPVEOFJEKEVBI-KBPBESRZSA-N -1 1 393.484 2.077 20 0 GEADMM COc1ccc([C@H](NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)C2CC2)cc1 ZINC000739896201 602532337 /nfs/dbraw/zinc/53/23/37/602532337.db2.gz ZIQALMCBMQTRRJ-AUUYWEPGSA-N -1 1 375.469 2.194 20 0 GEADMM O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491485 607574441 /nfs/dbraw/zinc/57/44/41/607574441.db2.gz LNPRELNFDRNRJD-UHFFFAOYSA-N -1 1 386.412 2.008 20 0 GEADMM CCCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739355024 602610965 /nfs/dbraw/zinc/61/09/65/602610965.db2.gz ZSLGPQOMXJGBOW-WMZOPIPTSA-N -1 1 392.500 2.472 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2NC(=O)[O-])cc1 ZINC000739792960 602652301 /nfs/dbraw/zinc/65/23/01/602652301.db2.gz QHPKARQIIVYUBY-UHFFFAOYSA-N -1 1 380.378 2.373 20 0 GEADMM O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491654 607578907 /nfs/dbraw/zinc/57/89/07/607578907.db2.gz UIRKBRFCFIAUFG-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM CC1(C)CN(C2(CNC(=O)C3CCN(C(=O)[O-])CC3)CCCCC2)CCO1 ZINC000737730977 602677110 /nfs/dbraw/zinc/67/71/10/602677110.db2.gz IAFOSQOMLRPSSC-UHFFFAOYSA-N -1 1 381.517 2.306 20 0 GEADMM COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826189839 607580216 /nfs/dbraw/zinc/58/02/16/607580216.db2.gz GWINBKKOZUJBRQ-NSHDSACASA-N -1 1 391.428 2.362 20 0 GEADMM O=S(=O)(NCc1nc2ccccc2s1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492538 607577720 /nfs/dbraw/zinc/57/77/20/607577720.db2.gz PTMXZEPPJNPLTA-UHFFFAOYSA-N -1 1 390.425 2.094 20 0 GEADMM O=S(=O)(NCc1nc2ccccc2s1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492538 607577722 /nfs/dbraw/zinc/57/77/22/607577722.db2.gz PTMXZEPPJNPLTA-UHFFFAOYSA-N -1 1 390.425 2.094 20 0 GEADMM COc1ccc([C@@H](CNC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)N2CCCC2)cc1 ZINC000739891662 602753299 /nfs/dbraw/zinc/75/32/99/602753299.db2.gz DHQLHKOOFJIKAZ-MAUKXSAKSA-N -1 1 390.484 2.226 20 0 GEADMM COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739851940 602763496 /nfs/dbraw/zinc/76/34/96/602763496.db2.gz OBOBPTYMDMAPOU-OFQRWUPVSA-N -1 1 393.484 2.167 20 0 GEADMM C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825115838 602790910 /nfs/dbraw/zinc/79/09/10/602790910.db2.gz SXYKZBSLGLBTCJ-AWEZNQCLSA-N -1 1 392.475 2.145 20 0 GEADMM CCOc1ccc([C@H](C)NC(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739498915 602795551 /nfs/dbraw/zinc/79/55/51/602795551.db2.gz VDJGYBCHXAXINC-OFQRWUPVSA-N -1 1 393.484 2.249 20 0 GEADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)on1 ZINC000826265953 607588956 /nfs/dbraw/zinc/58/89/56/607588956.db2.gz VCUQTCUGHHVWBP-NSHDSACASA-N -1 1 394.844 2.342 20 0 GEADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)on1 ZINC000826265953 607588957 /nfs/dbraw/zinc/58/89/57/607588957.db2.gz VCUQTCUGHHVWBP-NSHDSACASA-N -1 1 394.844 2.342 20 0 GEADMM C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H](C)N1C(=O)[O-] ZINC000739181017 602835795 /nfs/dbraw/zinc/83/57/95/602835795.db2.gz HKLMUEKGHUCRCB-HUUCEWRRSA-N -1 1 388.468 2.215 20 0 GEADMM O=S(=O)(NCCc1ccc(Cl)s1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491761 607591345 /nfs/dbraw/zinc/59/13/45/607591345.db2.gz ZOOLSEQLHNELMZ-UHFFFAOYSA-N -1 1 387.849 2.242 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000740080384 602883757 /nfs/dbraw/zinc/88/37/57/602883757.db2.gz PNLOOGQURCVYQG-IYBDPMFKSA-N -1 1 389.500 2.351 20 0 GEADMM Cc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000826298344 607592717 /nfs/dbraw/zinc/59/27/17/607592717.db2.gz OSHBRBIGUCOEJT-UHFFFAOYSA-N -1 1 398.370 2.067 20 0 GEADMM Cc1ccccc1C[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826307138 607592802 /nfs/dbraw/zinc/59/28/02/607592802.db2.gz XKILAECUBFKNQK-LBPRGKRZSA-N -1 1 375.429 2.224 20 0 GEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC[C@H]1NC(=O)[O-] ZINC000739131924 602930402 /nfs/dbraw/zinc/93/04/02/602930402.db2.gz DRRRLAMEWAEQQO-OAGGEKHMSA-N -1 1 378.473 2.494 20 0 GEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739983533 602950336 /nfs/dbraw/zinc/95/03/36/602950336.db2.gz AUTZIXIESPEAJQ-UHFFFAOYSA-N -1 1 384.435 2.122 20 0 GEADMM Cc1ccc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826287040 607598868 /nfs/dbraw/zinc/59/88/68/607598868.db2.gz ABECPFWQWCTAJY-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM Cc1ccc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826287040 607598869 /nfs/dbraw/zinc/59/88/69/607598869.db2.gz ABECPFWQWCTAJY-UHFFFAOYSA-N -1 1 375.429 2.144 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CCN1CCOC ZINC000739280127 602997213 /nfs/dbraw/zinc/99/72/13/602997213.db2.gz QGFIWBSLXKFYGX-MRXNPFEDSA-N -1 1 376.457 2.302 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CCc1ccccc1)C1CC1 ZINC000826496247 607601812 /nfs/dbraw/zinc/60/18/12/607601812.db2.gz PNRPWYIIWBZDFJ-UHFFFAOYSA-N -1 1 387.440 2.402 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CCc1ccccc1)C1CC1 ZINC000826496247 607601813 /nfs/dbraw/zinc/60/18/13/607601813.db2.gz PNRPWYIIWBZDFJ-UHFFFAOYSA-N -1 1 387.440 2.402 20 0 GEADMM COC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826151589 607605514 /nfs/dbraw/zinc/60/55/14/607605514.db2.gz FKZPNBQKCPWDNQ-ZDUSSCGKSA-N -1 1 393.856 2.186 20 0 GEADMM COC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826151589 607605515 /nfs/dbraw/zinc/60/55/15/607605515.db2.gz FKZPNBQKCPWDNQ-ZDUSSCGKSA-N -1 1 393.856 2.186 20 0 GEADMM COc1cccc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000739942698 603058723 /nfs/dbraw/zinc/05/87/23/603058723.db2.gz LSJLWGPIQMVNHO-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM COc1cccc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000739942698 603058726 /nfs/dbraw/zinc/05/87/26/603058726.db2.gz LSJLWGPIQMVNHO-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000826467382 607608557 /nfs/dbraw/zinc/60/85/57/607608557.db2.gz TZVBWDUQNAJFRM-UHFFFAOYSA-N -1 1 394.420 2.029 20 0 GEADMM O=S(=O)(NCc1cc(F)ccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492146 607609238 /nfs/dbraw/zinc/60/92/38/607609238.db2.gz VNIOFZWILWZLNK-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=S(=O)(NCc1cc(F)ccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492146 607609240 /nfs/dbraw/zinc/60/92/40/607609240.db2.gz VNIOFZWILWZLNK-UHFFFAOYSA-N -1 1 385.783 2.277 20 0 GEADMM O=C([O-])NCCCNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000740651152 603140361 /nfs/dbraw/zinc/14/03/61/603140361.db2.gz FUTHWEQTNPHOSO-AWEZNQCLSA-N -1 1 388.390 2.237 20 0 GEADMM CC1(c2ccccc2)CC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824844057 607609611 /nfs/dbraw/zinc/60/96/11/607609611.db2.gz OBXXSQNENLSHNK-UHFFFAOYSA-N -1 1 387.440 2.404 20 0 GEADMM CC1(c2ccccc2)CC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824844057 607609612 /nfs/dbraw/zinc/60/96/12/607609612.db2.gz OBXXSQNENLSHNK-UHFFFAOYSA-N -1 1 387.440 2.404 20 0 GEADMM CN(c1ccc(Cl)cn1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826004279 607611421 /nfs/dbraw/zinc/61/14/21/607611421.db2.gz QMXYOIWBPZBERA-UHFFFAOYSA-N -1 1 385.236 2.394 20 0 GEADMM CN(c1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826010670 607615203 /nfs/dbraw/zinc/61/52/03/607615203.db2.gz NMQOYWUWZXDKGB-UHFFFAOYSA-N -1 1 384.343 2.106 20 0 GEADMM CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824257694 603250248 /nfs/dbraw/zinc/25/02/48/603250248.db2.gz UBFZPPYAUGHVAN-KBAYOESNSA-N -1 1 377.485 2.104 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000738824608 603268117 /nfs/dbraw/zinc/26/81/17/603268117.db2.gz KBDNYMAHKPIFJG-JKSUJKDBSA-N -1 1 383.876 2.122 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000738002464 603272430 /nfs/dbraw/zinc/27/24/30/603272430.db2.gz ATBJJCIPQLIRAE-QGZVFWFLSA-N -1 1 390.484 2.055 20 0 GEADMM CSCC[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826228141 607619678 /nfs/dbraw/zinc/61/96/78/607619678.db2.gz GDHUJRFLKIJFCA-VIFPVBQESA-N -1 1 375.907 2.282 20 0 GEADMM Cc1ccc(C[C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826287629 607621520 /nfs/dbraw/zinc/62/15/20/607621520.db2.gz WSCQYORTHQKLMY-VIFPVBQESA-N -1 1 381.458 2.285 20 0 GEADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000740658738 603331061 /nfs/dbraw/zinc/33/10/61/603331061.db2.gz GBLOBALODCJROY-ZDUSSCGKSA-N -1 1 390.415 2.077 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739600933 603380849 /nfs/dbraw/zinc/38/08/49/603380849.db2.gz BQKXPZDYFNILGW-INIZCTEOSA-N -1 1 388.399 2.273 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000740141813 603415092 /nfs/dbraw/zinc/41/50/92/603415092.db2.gz RUNRNWKTXSPBQX-DZKIICNBSA-N -1 1 376.457 2.318 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)N1CCCC1 ZINC000829593407 603429617 /nfs/dbraw/zinc/42/96/17/603429617.db2.gz ZOMCGBJWWMOFHG-ZOBUZTSGSA-N -1 1 375.469 2.385 20 0 GEADMM C[C@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677413 603508245 /nfs/dbraw/zinc/50/82/45/603508245.db2.gz KRIWBZPPFMWJQX-APHBMKBZSA-N -1 1 380.408 2.050 20 0 GEADMM CCN(CC1CCN(CC(=O)N(C)Cc2ccccc2OC)CC1)C(=O)[O-] ZINC000827092387 603510179 /nfs/dbraw/zinc/51/01/79/603510179.db2.gz BDINCXFUYHNYNW-UHFFFAOYSA-N -1 1 377.485 2.366 20 0 GEADMM O=C([O-])NC1CCC(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000832262902 603560378 /nfs/dbraw/zinc/56/03/78/603560378.db2.gz OEAVPJLFKHDWIK-UHFFFAOYSA-N -1 1 381.517 2.212 20 0 GEADMM COc1cc(OC)cc(N2CC[C@H](NCc3ccc(NC(=O)[O-])nc3)C2=O)c1 ZINC000829217356 603560921 /nfs/dbraw/zinc/56/09/21/603560921.db2.gz OJBIXBIUGFQPRU-INIZCTEOSA-N -1 1 386.408 2.084 20 0 GEADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828235342 603588528 /nfs/dbraw/zinc/58/85/28/603588528.db2.gz GPKZDXOLTZCXKT-PKOBYXMFSA-N -1 1 387.480 2.256 20 0 GEADMM CCN(CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C1CCCCC1 ZINC000827156684 603591184 /nfs/dbraw/zinc/59/11/84/603591184.db2.gz KHOOLZHOUHTTQQ-LIRRHRJNSA-N -1 1 380.489 2.347 20 0 GEADMM CCC(CC)N(CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C1CC1 ZINC000826572736 603593350 /nfs/dbraw/zinc/59/33/50/603593350.db2.gz ZNAVCAWVTXQPEV-ORAYPTAESA-N -1 1 380.489 2.345 20 0 GEADMM C[C@@H]1CCC[C@H](N(C)CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889044 603593831 /nfs/dbraw/zinc/59/38/31/603593831.db2.gz SPCIVRCGVKGDIV-MMMWYMCRSA-N -1 1 380.489 2.203 20 0 GEADMM CC(C)C[C@@H]1CCCN1CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000824226187 603596502 /nfs/dbraw/zinc/59/65/02/603596502.db2.gz ZOZXHXUNLHCMOR-YZVOILCLSA-N -1 1 380.489 2.203 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC(C)(C)NC(=O)[O-] ZINC000827417568 603605686 /nfs/dbraw/zinc/60/56/86/603605686.db2.gz AAYYCIFHNVTLMN-UHFFFAOYSA-N -1 1 393.488 2.005 20 0 GEADMM CC[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)CC1 ZINC000826674533 603605963 /nfs/dbraw/zinc/60/59/63/603605963.db2.gz AHGPBWRNZWUNNU-ZRGWGRIASA-N -1 1 380.489 2.204 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)NC(=O)[O-] ZINC000824080217 603607996 /nfs/dbraw/zinc/60/79/96/603607996.db2.gz YOKPHVJCGYRYFH-RTBURBONSA-N -1 1 391.512 2.325 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCN(Cc3ccncc3)CC1)C2 ZINC000831604708 603701218 /nfs/dbraw/zinc/70/12/18/603701218.db2.gz VRPOKBLGOWUGKH-AYHJJNSGSA-N -1 1 387.484 2.019 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000825192163 603718618 /nfs/dbraw/zinc/71/86/18/603718618.db2.gz CHULEXSEWOMFRW-LPHOPBHVSA-N -1 1 388.512 2.085 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@H](C)[C@@H]2CNC(=O)[O-])c1OC ZINC000829556169 603719149 /nfs/dbraw/zinc/71/91/49/603719149.db2.gz JXWGGGAWDCFYIB-HOCLYGCPSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000825194715 603719321 /nfs/dbraw/zinc/71/93/21/603719321.db2.gz QFLLDHCLEWSBBQ-QFBILLFUSA-N -1 1 388.512 2.085 20 0 GEADMM Cc1cccc(O[C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826299992 607648864 /nfs/dbraw/zinc/64/88/64/607648864.db2.gz CXUZGNZXLVETIT-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM Cc1cccc(O[C@H](C)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826299992 607648865 /nfs/dbraw/zinc/64/88/65/607648865.db2.gz CXUZGNZXLVETIT-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM CC(C)[C@H](CCN(C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)[O-] ZINC000824098411 603851927 /nfs/dbraw/zinc/85/19/27/603851927.db2.gz HKIVYQGMORJJTI-AAEUAGOBSA-N -1 1 377.445 2.210 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829311651 603864947 /nfs/dbraw/zinc/86/49/47/603864947.db2.gz PIHUSJNKZQWXIN-FXAWDEMLSA-N -1 1 375.469 2.338 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1)N1CCCC1 ZINC000829597048 603887994 /nfs/dbraw/zinc/88/79/94/603887994.db2.gz DSWSZGREQXYZBR-WBVHZDCISA-N -1 1 390.484 2.226 20 0 GEADMM COc1cccc([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])N(C)C)c1 ZINC000829544279 603890529 /nfs/dbraw/zinc/89/05/29/603890529.db2.gz USCZGFQXHNIXOW-NJAFHUGGSA-N -1 1 392.500 2.424 20 0 GEADMM C[C@H](c1ccccc1)[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824640804 607658704 /nfs/dbraw/zinc/65/87/04/607658704.db2.gz PIZXSWVDHNTQPK-RYUDHWBXSA-N -1 1 375.429 2.476 20 0 GEADMM Cc1cc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)n(-c2ccccc2F)n1 ZINC000830104521 603982634 /nfs/dbraw/zinc/98/26/34/603982634.db2.gz YWCHLWFZLMZTFE-UHFFFAOYSA-N -1 1 389.431 2.333 20 0 GEADMM CN(CC(=O)Nc1ccnn1Cc1cccs1)C1CCN(C(=O)[O-])CC1 ZINC000828120109 603987647 /nfs/dbraw/zinc/98/76/47/603987647.db2.gz BLHGZLGUUPFZES-UHFFFAOYSA-N -1 1 377.470 2.006 20 0 GEADMM CCS[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825668564 607665502 /nfs/dbraw/zinc/66/55/02/607665502.db2.gz GRENQGLAAAJKRL-STQMWFEESA-N -1 1 385.490 2.348 20 0 GEADMM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000826262585 607665923 /nfs/dbraw/zinc/66/59/23/607665923.db2.gz SKWGFAGAWMNRGS-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM Cc1cc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000826262811 607665929 /nfs/dbraw/zinc/66/59/29/607665929.db2.gz ZJJRBUNFJIDZFZ-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM Cc1cc([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000826262811 607665931 /nfs/dbraw/zinc/66/59/31/607665931.db2.gz ZJJRBUNFJIDZFZ-SNVBAGLBSA-N -1 1 379.392 2.493 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000827418274 604014618 /nfs/dbraw/zinc/01/46/18/604014618.db2.gz MDHWYAJUIDQLKK-QGZVFWFLSA-N -1 1 390.484 2.308 20 0 GEADMM CC(C)C(=O)Nc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000824184762 607666950 /nfs/dbraw/zinc/66/69/50/607666950.db2.gz KWLCZKIVFXMBNI-UHFFFAOYSA-N -1 1 387.421 2.229 20 0 GEADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000829610426 604058142 /nfs/dbraw/zinc/05/81/42/604058142.db2.gz CANHZIVFCSVDPZ-QGZVFWFLSA-N -1 1 386.383 2.378 20 0 GEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000826283635 607669567 /nfs/dbraw/zinc/66/95/67/607669567.db2.gz WMOILMWDELPUCG-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM C[C@@H](C(=O)N1CCC(OCCCNC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000823663508 604071033 /nfs/dbraw/zinc/07/10/33/604071033.db2.gz SFLJESKMNKWSGX-INIZCTEOSA-N -1 1 389.496 2.099 20 0 GEADMM C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823677255 604101384 /nfs/dbraw/zinc/10/13/84/604101384.db2.gz JVFSXXKVOVOBAT-CVEARBPZSA-N -1 1 389.496 2.491 20 0 GEADMM O=C([O-])NCCCOC1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000832630197 604103174 /nfs/dbraw/zinc/10/31/74/604103174.db2.gz VVPNVJPMQNECQI-GOSISDBHSA-N -1 1 393.459 2.460 20 0 GEADMM O=C([O-])NCCCOC1CC[NH+](Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000832633777 604106775 /nfs/dbraw/zinc/10/67/75/604106775.db2.gz WGKBWLNSSXKHEJ-UHFFFAOYSA-N -1 1 376.409 2.137 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)N(C)C)c1 ZINC000829545124 604108931 /nfs/dbraw/zinc/10/89/31/604108931.db2.gz ZQXBSKAEDMJRBB-HFTRVMKXSA-N -1 1 392.500 2.376 20 0 GEADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)CC1 ZINC000825287269 604143032 /nfs/dbraw/zinc/14/30/32/604143032.db2.gz ILJPHYBKPJHLBW-AWEZNQCLSA-N -1 1 380.464 2.335 20 0 GEADMM O=S(=O)(N[C@H]1CCCC(F)(F)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487929 607677033 /nfs/dbraw/zinc/67/70/33/607677033.db2.gz DSOKDGMEBKLADF-QMMMGPOBSA-N -1 1 377.804 2.376 20 0 GEADMM O=S(=O)(N[C@H]1CCCC(F)(F)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487929 607677034 /nfs/dbraw/zinc/67/70/34/607677034.db2.gz DSOKDGMEBKLADF-QMMMGPOBSA-N -1 1 377.804 2.376 20 0 GEADMM O=S(=O)(NCC1(Cc2ccccc2)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490262 607679095 /nfs/dbraw/zinc/67/90/95/607679095.db2.gz OLCAKIJNBMKEDB-UHFFFAOYSA-N -1 1 387.440 2.307 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCSC[C@@H]3CC(=O)[O-])n2)cc1 ZINC000832907877 604286548 /nfs/dbraw/zinc/28/65/48/604286548.db2.gz PKMHLQNUQUFCIV-ZDUSSCGKSA-N -1 1 392.506 2.291 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NC3(CC(=O)[O-])CCOCC3)n2)cc1 ZINC000832908264 604305240 /nfs/dbraw/zinc/30/52/40/604305240.db2.gz VQOXBJOXVSRCFC-UHFFFAOYSA-N -1 1 390.465 2.012 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3ccccc3CN(C)C(=O)[O-])CCO2)n[nH]1 ZINC000827620287 604341922 /nfs/dbraw/zinc/34/19/22/604341922.db2.gz HNPZMEMHNMGABJ-CQSZACIVSA-N -1 1 388.428 2.082 20 0 GEADMM Cc1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)n2nc(C(=O)[O-])nc2n1 ZINC000833746027 604463839 /nfs/dbraw/zinc/46/38/39/604463839.db2.gz KUENFYJHIPUKNY-ZDUSSCGKSA-N -1 1 390.407 2.258 20 0 GEADMM Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n2nc(C(=O)[O-])nc2n1 ZINC000833746027 604463844 /nfs/dbraw/zinc/46/38/44/604463844.db2.gz KUENFYJHIPUKNY-ZDUSSCGKSA-N -1 1 390.407 2.258 20 0 GEADMM Cc1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)n2nc(C(=O)[O-])nc2n1 ZINC000833746026 604463892 /nfs/dbraw/zinc/46/38/92/604463892.db2.gz KUENFYJHIPUKNY-CYBMUJFWSA-N -1 1 390.407 2.258 20 0 GEADMM Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)n2nc(C(=O)[O-])nc2n1 ZINC000833746026 604463898 /nfs/dbraw/zinc/46/38/98/604463898.db2.gz KUENFYJHIPUKNY-CYBMUJFWSA-N -1 1 390.407 2.258 20 0 GEADMM O=C([O-])c1csc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000833151895 604479388 /nfs/dbraw/zinc/47/93/88/604479388.db2.gz UXCSNCDWRGJQSH-HNNXBMFYSA-N -1 1 387.461 2.166 20 0 GEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000828494370 604539688 /nfs/dbraw/zinc/53/96/88/604539688.db2.gz OLFVBKAEGCJLQP-SUMWQHHRSA-N -1 1 383.452 2.406 20 0 GEADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000830579690 604546915 /nfs/dbraw/zinc/54/69/15/604546915.db2.gz ATVQREGHIPABPX-ZDUSSCGKSA-N -1 1 395.868 2.457 20 0 GEADMM C[C@@H]1CCCC[C@H]1NC(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833610637 604618710 /nfs/dbraw/zinc/61/87/10/604618710.db2.gz FWVCQZKXMMOKQH-SFGWALBWSA-N -1 1 387.524 2.390 20 0 GEADMM C[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)C1CCN(C(=O)[O-])CC1 ZINC000824687598 604672655 /nfs/dbraw/zinc/67/26/55/604672655.db2.gz WFXWXDYIBXIQCP-HNNXBMFYSA-N -1 1 389.500 2.188 20 0 GEADMM Cc1cc(C[C@H](C)NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)n[nH]1 ZINC000832883854 604690300 /nfs/dbraw/zinc/69/03/00/604690300.db2.gz QRQNSIPIIJAJMZ-DZGCQCFKSA-N -1 1 385.468 2.268 20 0 GEADMM C[C@@H](CN(CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1)C(=O)[O-] ZINC000828493537 604744045 /nfs/dbraw/zinc/74/40/45/604744045.db2.gz GYMHDXRMGRQJRA-ARFHVFGLSA-N -1 1 389.496 2.424 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c(OC)c1C(=O)[O-] ZINC000833734785 604861944 /nfs/dbraw/zinc/86/19/44/604861944.db2.gz WTXUFMMQTQXUHD-UHFFFAOYSA-N -1 1 394.361 2.050 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)C1 ZINC000833419979 604864139 /nfs/dbraw/zinc/86/41/39/604864139.db2.gz LVMUJBZZUNBVBP-JTSKRJEESA-N -1 1 399.491 2.246 20 0 GEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000833421427 604947348 /nfs/dbraw/zinc/94/73/48/604947348.db2.gz NNUFBFDWGHDBLE-HNNXBMFYSA-N -1 1 387.480 2.340 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])n2)cc1 ZINC000830160304 604962696 /nfs/dbraw/zinc/96/26/96/604962696.db2.gz PSZVNZLQGFTRIP-KGLIPLIRSA-N -1 1 389.481 2.425 20 0 GEADMM CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000829684062 604987382 /nfs/dbraw/zinc/98/73/82/604987382.db2.gz MEYTVRHJBDUKNA-KRWDZBQOSA-N -1 1 377.466 2.028 20 0 GEADMM CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC000833512296 605023057 /nfs/dbraw/zinc/02/30/57/605023057.db2.gz KTBZOYVQAOWEOU-NSHDSACASA-N -1 1 387.440 2.106 20 0 GEADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)n[nH]1 ZINC000833512337 605023410 /nfs/dbraw/zinc/02/34/10/605023410.db2.gz MIUBKEGERCBGNK-MRVPVSSYSA-N -1 1 379.804 2.096 20 0 GEADMM CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000833625892 605041550 /nfs/dbraw/zinc/04/15/50/605041550.db2.gz NOSFOQUKPHKPKB-MFKMUULPSA-N -1 1 394.415 2.411 20 0 GEADMM C[C@H](OCCCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833536602 605043380 /nfs/dbraw/zinc/04/33/80/605043380.db2.gz RYSVNBPJGJUCQD-IRXDYDNUSA-N -1 1 377.485 2.345 20 0 GEADMM COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)CC3)c(OC)c1C(=O)[O-] ZINC000833734503 605087837 /nfs/dbraw/zinc/08/78/37/605087837.db2.gz IQXXCKMKOXGVNZ-UHFFFAOYSA-N -1 1 392.433 2.195 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000833625503 605109741 /nfs/dbraw/zinc/10/97/41/605109741.db2.gz MJEYPRSIUVMYPM-ZDUSSCGKSA-N -1 1 384.436 2.235 20 0 GEADMM CN1CCC2(CCCN2S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)CC1 ZINC000833698848 605144024 /nfs/dbraw/zinc/14/40/24/605144024.db2.gz XYMDBZMGXJNHFR-UHFFFAOYSA-N -1 1 378.494 2.052 20 0 GEADMM CNC(=O)c1ccc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cc1 ZINC000833700344 605150679 /nfs/dbraw/zinc/15/06/79/605150679.db2.gz KPBWBAHHTKWFOY-UHFFFAOYSA-N -1 1 385.401 2.093 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000833623155 605164821 /nfs/dbraw/zinc/16/48/21/605164821.db2.gz QYPKHERAEBGTAY-AWEZNQCLSA-N -1 1 396.434 2.020 20 0 GEADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000833715759 605176261 /nfs/dbraw/zinc/17/62/61/605176261.db2.gz XWTYSSJFLSVMHD-UHFFFAOYSA-N -1 1 390.417 2.246 20 0 GEADMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833614008 605185205 /nfs/dbraw/zinc/18/52/05/605185205.db2.gz CYXOFBDOYQUVPD-CYBMUJFWSA-N -1 1 377.466 2.086 20 0 GEADMM COC(=O)c1cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cc(C(=O)OC)c1 ZINC000833713395 605208200 /nfs/dbraw/zinc/20/82/00/605208200.db2.gz WZQFFFALGVPTLZ-GOSISDBHSA-N -1 1 383.400 2.444 20 0 GEADMM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000831513112 605239985 /nfs/dbraw/zinc/23/99/85/605239985.db2.gz NRCDBRRMJDNRSE-HZPDHXFCSA-N -1 1 379.457 2.082 20 0 GEADMM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000831513113 605240173 /nfs/dbraw/zinc/24/01/73/605240173.db2.gz NRCDBRRMJDNRSE-JKSUJKDBSA-N -1 1 379.457 2.082 20 0 GEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)n1-c1nccs1 ZINC000833741933 605255059 /nfs/dbraw/zinc/25/50/59/605255059.db2.gz CUDPDANBPZVAND-CYBMUJFWSA-N -1 1 376.482 2.172 20 0 GEADMM CCc1cnccc1[C@@H](C)NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833672490 605270140 /nfs/dbraw/zinc/27/01/40/605270140.db2.gz DAAAJCVNESAZKX-GFCCVEGCSA-N -1 1 385.420 2.418 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000445051858 649955955 /nfs/dbraw/zinc/95/59/55/649955955.db2.gz WNMSAAZCYJNWMA-MRXNPFEDSA-N -1 1 381.475 2.059 20 0 GEADMM C[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCN1CCC(=O)[O-] ZINC000833617938 605278281 /nfs/dbraw/zinc/27/82/81/605278281.db2.gz JADXFRDAIDEFTP-HNNXBMFYSA-N -1 1 394.899 2.396 20 0 GEADMM Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826339193 607745183 /nfs/dbraw/zinc/74/51/83/607745183.db2.gz VFWIMINIPIEIEV-QMMMGPOBSA-N -1 1 396.860 2.207 20 0 GEADMM Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826339193 607745184 /nfs/dbraw/zinc/74/51/84/607745184.db2.gz VFWIMINIPIEIEV-QMMMGPOBSA-N -1 1 396.860 2.207 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000834251192 605332287 /nfs/dbraw/zinc/33/22/87/605332287.db2.gz VVNARTNMFOZXEN-FYQPLNBISA-N -1 1 388.439 2.173 20 0 GEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000834128892 605375778 /nfs/dbraw/zinc/37/57/78/605375778.db2.gz MFPPLKSKEPGXKG-QWHCGFSZSA-N -1 1 393.394 2.469 20 0 GEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834128892 605375784 /nfs/dbraw/zinc/37/57/84/605375784.db2.gz MFPPLKSKEPGXKG-QWHCGFSZSA-N -1 1 393.394 2.469 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)N3CCSc4ccccc43)C[C@H]21 ZINC000834189732 605433531 /nfs/dbraw/zinc/43/35/31/605433531.db2.gz UZUAHCLTMWOMGU-RRFJBIMHSA-N -1 1 375.494 2.493 20 0 GEADMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)c2c1 ZINC000833745108 605472806 /nfs/dbraw/zinc/47/28/06/605472806.db2.gz RUSSRUOSUDZIND-LBPRGKRZSA-N -1 1 375.400 2.009 20 0 GEADMM O=C([O-])N1CCOC[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000834051769 605540042 /nfs/dbraw/zinc/54/00/42/605540042.db2.gz MHUUFEOTDKSBFE-VIFPVBQESA-N -1 1 379.594 2.125 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000827226921 605579976 /nfs/dbraw/zinc/57/99/76/605579976.db2.gz BGYOQXNJNFFUMZ-OAHLLOKOSA-N -1 1 392.525 2.253 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)C[C@H]2CSCCN2C(=O)[O-])N2CCCC2)o1 ZINC000830257258 605637533 /nfs/dbraw/zinc/63/75/33/605637533.db2.gz SDHBEOODFLBCGA-LSDHHAIUSA-N -1 1 381.498 2.327 20 0 GEADMM C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833790922 605651225 /nfs/dbraw/zinc/65/12/25/605651225.db2.gz QUYXUVPIMKBIQW-LBPRGKRZSA-N -1 1 389.456 2.307 20 0 GEADMM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000834053101 605662188 /nfs/dbraw/zinc/66/21/88/605662188.db2.gz QOCDUMYVVMYDMQ-HZPDHXFCSA-N -1 1 393.403 2.190 20 0 GEADMM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000834053101 605662194 /nfs/dbraw/zinc/66/21/94/605662194.db2.gz QOCDUMYVVMYDMQ-HZPDHXFCSA-N -1 1 393.403 2.190 20 0 GEADMM O=C([O-])N1CSC[C@@H]1C(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000834284930 605782709 /nfs/dbraw/zinc/78/27/09/605782709.db2.gz ABBNYENLLSDNKU-SNVBAGLBSA-N -1 1 386.227 2.422 20 0 GEADMM O=C([O-])N[C@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000834146530 605811835 /nfs/dbraw/zinc/81/18/35/605811835.db2.gz QXQZAOSMRFSPCC-QGZVFWFLSA-N -1 1 378.448 2.136 20 0 GEADMM O=C([O-])N1CCCC[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834106668 605822871 /nfs/dbraw/zinc/82/28/71/605822871.db2.gz FEHCKVHAGWPBAC-KGLIPLIRSA-N -1 1 376.461 2.104 20 0 GEADMM Cc1cc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)ccc1NC(=O)[O-] ZINC000829977461 605830105 /nfs/dbraw/zinc/83/01/05/605830105.db2.gz WUGGGUVQEPOZCU-UHFFFAOYSA-N -1 1 389.389 2.264 20 0 GEADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C2CCCC2)CC1 ZINC000834252368 605856466 /nfs/dbraw/zinc/85/64/66/605856466.db2.gz FRNNXQAWFZJCRM-IBGZPJMESA-N -1 1 384.480 2.433 20 0 GEADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc(OC)c1C(C)C ZINC000833726765 605856824 /nfs/dbraw/zinc/85/68/24/605856824.db2.gz IKHFCASSZUONLY-CQSZACIVSA-N -1 1 378.469 2.448 20 0 GEADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3cccc4cnccc43)cc2C1 ZINC000834120362 605877747 /nfs/dbraw/zinc/87/77/47/605877747.db2.gz LPMYKXJSNKBYLN-UHFFFAOYSA-N -1 1 384.417 2.467 20 0 GEADMM O=C([O-])N1CCC2(CCN(C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000834089457 605885613 /nfs/dbraw/zinc/88/56/13/605885613.db2.gz AJZIOHNSWQROJS-UHFFFAOYSA-N -1 1 386.496 2.220 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833548478 605902268 /nfs/dbraw/zinc/90/22/68/605902268.db2.gz KWHMZGAJBMDXLZ-CJNGLKHVSA-N -1 1 399.422 2.414 20 0 GEADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000833833825 605905727 /nfs/dbraw/zinc/90/57/27/605905727.db2.gz KVOWTHOEWIJVAU-UONOGXRCSA-N -1 1 389.477 2.327 20 0 GEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000833831026 605906966 /nfs/dbraw/zinc/90/69/66/605906966.db2.gz MFNIXMWLENVSNF-AAEUAGOBSA-N -1 1 389.374 2.179 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596176 605938571 /nfs/dbraw/zinc/93/85/71/605938571.db2.gz JGFKHTRPWWKGDR-UKRRQHHQSA-N -1 1 399.422 2.242 20 0 GEADMM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000833828618 606038838 /nfs/dbraw/zinc/03/88/38/606038838.db2.gz PFOXIRYIVZVMQX-CABCVRRESA-N -1 1 388.468 2.215 20 0 GEADMM O=C([O-])Nc1cnc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cn1 ZINC000834276556 606063585 /nfs/dbraw/zinc/06/35/85/606063585.db2.gz XUWCOFZDPCYKPN-CYBMUJFWSA-N -1 1 379.380 2.329 20 0 GEADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834151906 606094554 /nfs/dbraw/zinc/09/45/54/606094554.db2.gz YTBONEZMIRKLEP-JKSUJKDBSA-N -1 1 383.452 2.267 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC1(C)C ZINC000822459852 606120720 /nfs/dbraw/zinc/12/07/20/606120720.db2.gz ZEBDIAFZFJLMJD-HNNXBMFYSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC1(C)C ZINC000822459852 606120722 /nfs/dbraw/zinc/12/07/22/606120722.db2.gz ZEBDIAFZFJLMJD-HNNXBMFYSA-N -1 1 382.472 2.154 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823483651 606121000 /nfs/dbraw/zinc/12/10/00/606121000.db2.gz KNKYOOORGALGEC-ZDUSSCGKSA-N -1 1 377.470 2.119 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823483651 606121001 /nfs/dbraw/zinc/12/10/01/606121001.db2.gz KNKYOOORGALGEC-ZDUSSCGKSA-N -1 1 377.470 2.119 20 0 GEADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821457569 606128400 /nfs/dbraw/zinc/12/84/00/606128400.db2.gz XGSZCPANVJTPGX-RYUDHWBXSA-N -1 1 394.526 2.483 20 0 GEADMM CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820838583 606135299 /nfs/dbraw/zinc/13/52/99/606135299.db2.gz XAHJJAHLEJCXPJ-UHFFFAOYSA-N -1 1 385.405 2.316 20 0 GEADMM CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820838583 606135301 /nfs/dbraw/zinc/13/53/01/606135301.db2.gz XAHJJAHLEJCXPJ-UHFFFAOYSA-N -1 1 385.405 2.316 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820507643 606135601 /nfs/dbraw/zinc/13/56/01/606135601.db2.gz JAOCOAMUWRXACC-WDEREUQCSA-N -1 1 383.433 2.451 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820507643 606135602 /nfs/dbraw/zinc/13/56/02/606135602.db2.gz JAOCOAMUWRXACC-WDEREUQCSA-N -1 1 383.433 2.451 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC12CC3CC(CC(C3)C1)C2 ZINC000823027308 606136012 /nfs/dbraw/zinc/13/60/12/606136012.db2.gz QSZFPEARBIETTB-UHFFFAOYSA-N -1 1 387.465 2.170 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC12CC3CC(CC(C3)C1)C2 ZINC000823027308 606136014 /nfs/dbraw/zinc/13/60/14/606136014.db2.gz QSZFPEARBIETTB-UHFFFAOYSA-N -1 1 387.465 2.170 20 0 GEADMM O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823400574 606136641 /nfs/dbraw/zinc/13/66/41/606136641.db2.gz GXWMIOYDIYZKEY-UHFFFAOYSA-N -1 1 397.416 2.161 20 0 GEADMM O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823400574 606136644 /nfs/dbraw/zinc/13/66/44/606136644.db2.gz GXWMIOYDIYZKEY-UHFFFAOYSA-N -1 1 397.416 2.161 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(F)cc1F ZINC000820513119 606137097 /nfs/dbraw/zinc/13/70/97/606137097.db2.gz VFRYBDNGQKCLJG-ZETCQYMHSA-N -1 1 379.348 2.390 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(F)cc1F ZINC000820513119 606137098 /nfs/dbraw/zinc/13/70/98/606137098.db2.gz VFRYBDNGQKCLJG-ZETCQYMHSA-N -1 1 379.348 2.390 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCC[C@H](C)C1 ZINC000820706356 606137532 /nfs/dbraw/zinc/13/75/32/606137532.db2.gz YXPATARJQKOUCZ-SMDDNHRTSA-N -1 1 377.470 2.368 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCC[C@H](C)C1 ZINC000820706356 606137535 /nfs/dbraw/zinc/13/75/35/606137535.db2.gz YXPATARJQKOUCZ-SMDDNHRTSA-N -1 1 377.470 2.368 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706351 606137973 /nfs/dbraw/zinc/13/79/73/606137973.db2.gz YXPATARJQKOUCZ-BXUZGUMPSA-N -1 1 377.470 2.368 20 0 GEADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCC[C@@H](C)C1 ZINC000820706351 606137975 /nfs/dbraw/zinc/13/79/75/606137975.db2.gz YXPATARJQKOUCZ-BXUZGUMPSA-N -1 1 377.470 2.368 20 0 GEADMM COc1ccc2c(COC(=O)c3ccc(-c4nnn[n-]4)s3)cc(=O)oc2c1 ZINC000821850014 606137984 /nfs/dbraw/zinc/13/79/84/606137984.db2.gz VAMDUEFVMCHGNT-UHFFFAOYSA-N -1 1 384.373 2.400 20 0 GEADMM COc1ccc2c(COC(=O)c3ccc(-c4nn[n-]n4)s3)cc(=O)oc2c1 ZINC000821850014 606137985 /nfs/dbraw/zinc/13/79/85/606137985.db2.gz VAMDUEFVMCHGNT-UHFFFAOYSA-N -1 1 384.373 2.400 20 0 GEADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821596247 606162452 /nfs/dbraw/zinc/16/24/52/606162452.db2.gz FDDUWISOFHUAFH-GOEBONIOSA-N -1 1 396.455 2.232 20 0 GEADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821596247 606162454 /nfs/dbraw/zinc/16/24/54/606162454.db2.gz FDDUWISOFHUAFH-GOEBONIOSA-N -1 1 396.455 2.232 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ccccc2C(C)(C)C)n1 ZINC000822619888 606167735 /nfs/dbraw/zinc/16/77/35/606167735.db2.gz JQRTWURADSSTHW-UHFFFAOYSA-N -1 1 384.444 2.098 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ccccc2C(C)(C)C)n1 ZINC000822619888 606167736 /nfs/dbraw/zinc/16/77/36/606167736.db2.gz JQRTWURADSSTHW-UHFFFAOYSA-N -1 1 384.444 2.098 20 0 GEADMM CC(=O)N(Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1)C(C)C ZINC000819789774 606172254 /nfs/dbraw/zinc/17/22/54/606172254.db2.gz XNHUVPVHERKFKF-UHFFFAOYSA-N -1 1 397.443 2.001 20 0 GEADMM CC(=O)N(Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1)C(C)C ZINC000819789774 606172255 /nfs/dbraw/zinc/17/22/55/606172255.db2.gz XNHUVPVHERKFKF-UHFFFAOYSA-N -1 1 397.443 2.001 20 0 GEADMM CC(C)(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1C(=O)c2ccccc2C1=O ZINC000819987625 606178105 /nfs/dbraw/zinc/17/81/05/606178105.db2.gz CLYVLAIOUANCCY-UHFFFAOYSA-N -1 1 397.416 2.160 20 0 GEADMM CC(C)(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1C(=O)c2ccccc2C1=O ZINC000819987625 606178106 /nfs/dbraw/zinc/17/81/06/606178106.db2.gz CLYVLAIOUANCCY-UHFFFAOYSA-N -1 1 397.416 2.160 20 0 GEADMM O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397370 606181197 /nfs/dbraw/zinc/18/11/97/606181197.db2.gz WFRXBJICHQFBGG-ZDUSSCGKSA-N -1 1 383.433 2.134 20 0 GEADMM O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397370 606181199 /nfs/dbraw/zinc/18/11/99/606181199.db2.gz WFRXBJICHQFBGG-ZDUSSCGKSA-N -1 1 383.433 2.134 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000823656243 606241471 /nfs/dbraw/zinc/24/14/71/606241471.db2.gz ALLZLCBXZFLROG-UHFFFAOYSA-N -1 1 389.297 2.146 20 0 GEADMM CC(C)Cn1ncc2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cnc21 ZINC000820112668 606292273 /nfs/dbraw/zinc/29/22/73/606292273.db2.gz ZYXAIJJBDQBRMB-UHFFFAOYSA-N -1 1 378.396 2.225 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1)CC(F)F ZINC000823600024 606338289 /nfs/dbraw/zinc/33/82/89/606338289.db2.gz BWMIQSKAZLLOBR-UHFFFAOYSA-N -1 1 397.382 2.462 20 0 GEADMM CC[C@H](C)N1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000820876150 606393285 /nfs/dbraw/zinc/39/32/85/606393285.db2.gz MNCJVANHQRLPKD-ISVAXAHUSA-N -1 1 376.442 2.240 20 0 GEADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1Br ZINC000820281837 606402243 /nfs/dbraw/zinc/40/22/43/606402243.db2.gz YLLKLMSYLYADLC-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1Br ZINC000820281837 606402244 /nfs/dbraw/zinc/40/22/44/606402244.db2.gz YLLKLMSYLYADLC-VIFPVBQESA-N -1 1 376.218 2.299 20 0 GEADMM O=C1C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CN1c1cccc(C(F)(F)F)c1 ZINC000823520423 606427950 /nfs/dbraw/zinc/42/79/50/606427950.db2.gz LZXQZNAEIFSEBZ-LLVKDONJSA-N -1 1 389.341 2.498 20 0 GEADMM O=C1C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CN1c1cccc(C(F)(F)F)c1 ZINC000823520423 606427952 /nfs/dbraw/zinc/42/79/52/606427952.db2.gz LZXQZNAEIFSEBZ-LLVKDONJSA-N -1 1 389.341 2.498 20 0 GEADMM COC(=O)c1cc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc(C(=O)OC)c1 ZINC000821667874 606439785 /nfs/dbraw/zinc/43/97/85/606439785.db2.gz FFOZTXJEEMCYKC-UHFFFAOYSA-N -1 1 389.755 2.281 20 0 GEADMM COC(=O)c1cc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc(C(=O)OC)c1 ZINC000821667874 606439786 /nfs/dbraw/zinc/43/97/86/606439786.db2.gz FFOZTXJEEMCYKC-UHFFFAOYSA-N -1 1 389.755 2.281 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nccn1C(C)C ZINC000822009773 606449421 /nfs/dbraw/zinc/44/94/21/606449421.db2.gz FEZOROFCVCMMCW-UHFFFAOYSA-N -1 1 385.428 2.038 20 0 GEADMM O=S(=O)(CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000823557354 606452564 /nfs/dbraw/zinc/45/25/64/606452564.db2.gz KJNKDOYEMVIWIR-UHFFFAOYSA-N -1 1 392.872 2.332 20 0 GEADMM O=S(=O)(CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000823557354 606452565 /nfs/dbraw/zinc/45/25/65/606452565.db2.gz KJNKDOYEMVIWIR-UHFFFAOYSA-N -1 1 392.872 2.332 20 0 GEADMM O[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)COc1cccc(F)c1 ZINC000823690821 606456324 /nfs/dbraw/zinc/45/63/24/606456324.db2.gz VNLBGDGUKAVPNA-CYBMUJFWSA-N -1 1 380.383 2.406 20 0 GEADMM O[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)COc1cccc(F)c1 ZINC000823690821 606456325 /nfs/dbraw/zinc/45/63/25/606456325.db2.gz VNLBGDGUKAVPNA-CYBMUJFWSA-N -1 1 380.383 2.406 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821571977 606479611 /nfs/dbraw/zinc/47/96/11/606479611.db2.gz NAGSVUPWHPUVPE-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821571977 606479613 /nfs/dbraw/zinc/47/96/13/606479613.db2.gz NAGSVUPWHPUVPE-MRVPVSSYSA-N -1 1 385.881 2.422 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000822693424 606498812 /nfs/dbraw/zinc/49/88/12/606498812.db2.gz CYZWVTNDGMJMIC-CQSZACIVSA-N -1 1 383.412 2.320 20 0 GEADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000822693424 606498813 /nfs/dbraw/zinc/49/88/13/606498813.db2.gz CYZWVTNDGMJMIC-CQSZACIVSA-N -1 1 383.412 2.320 20 0 GEADMM O=C(COc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1)N1CCCC1 ZINC000823367349 606509233 /nfs/dbraw/zinc/50/92/33/606509233.db2.gz KDYFTSIVLCWGJK-UHFFFAOYSA-N -1 1 398.448 2.182 20 0 GEADMM O=C(COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1)N1CCCC1 ZINC000823367349 606509234 /nfs/dbraw/zinc/50/92/34/606509234.db2.gz KDYFTSIVLCWGJK-UHFFFAOYSA-N -1 1 398.448 2.182 20 0 GEADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC000819857829 606523833 /nfs/dbraw/zinc/52/38/33/606523833.db2.gz VTBZKBLPWFPDAL-LBPRGKRZSA-N -1 1 385.472 2.207 20 0 GEADMM CCCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821056652 606526401 /nfs/dbraw/zinc/52/64/01/606526401.db2.gz VRSJADDFNNBBIJ-UHFFFAOYSA-N -1 1 376.486 2.087 20 0 GEADMM CCCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821056652 606526403 /nfs/dbraw/zinc/52/64/03/606526403.db2.gz VRSJADDFNNBBIJ-UHFFFAOYSA-N -1 1 376.486 2.087 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000822541765 606529810 /nfs/dbraw/zinc/52/98/10/606529810.db2.gz QEAUAYPBRHIWHC-NSHDSACASA-N -1 1 398.423 2.163 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000822541765 606529811 /nfs/dbraw/zinc/52/98/11/606529811.db2.gz QEAUAYPBRHIWHC-NSHDSACASA-N -1 1 398.423 2.163 20 0 GEADMM COc1ccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)s3)CCOCC2)cc1 ZINC000821782683 606544337 /nfs/dbraw/zinc/54/43/37/606544337.db2.gz KMJWWGRILJAGMB-UHFFFAOYSA-N -1 1 385.449 2.373 20 0 GEADMM COc1ccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)s3)CCOCC2)cc1 ZINC000821782683 606544339 /nfs/dbraw/zinc/54/43/39/606544339.db2.gz KMJWWGRILJAGMB-UHFFFAOYSA-N -1 1 385.449 2.373 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821321545 606554974 /nfs/dbraw/zinc/55/49/74/606554974.db2.gz ZSXPCJJGOLLYAA-CYBMUJFWSA-N -1 1 385.449 2.175 20 0 GEADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821321545 606554975 /nfs/dbraw/zinc/55/49/75/606554975.db2.gz ZSXPCJJGOLLYAA-CYBMUJFWSA-N -1 1 385.449 2.175 20 0 GEADMM Cc1nc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)no1 ZINC000822444433 606555544 /nfs/dbraw/zinc/55/55/44/606555544.db2.gz QTVDSAMAKXDFPG-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM Cc1nc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)no1 ZINC000822444433 606555545 /nfs/dbraw/zinc/55/55/45/606555545.db2.gz QTVDSAMAKXDFPG-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)NC(=O)OC(C)(C)C ZINC000820020628 606564304 /nfs/dbraw/zinc/56/43/04/606564304.db2.gz IRDGLPBMYDBBDU-SNVBAGLBSA-N -1 1 380.474 2.207 20 0 GEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC000820020628 606564306 /nfs/dbraw/zinc/56/43/06/606564306.db2.gz IRDGLPBMYDBBDU-SNVBAGLBSA-N -1 1 380.474 2.207 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819939412 606573659 /nfs/dbraw/zinc/57/36/59/606573659.db2.gz AYULHIVTIWNTSS-WDEREUQCSA-N -1 1 392.485 2.351 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819939412 606573661 /nfs/dbraw/zinc/57/36/61/606573661.db2.gz AYULHIVTIWNTSS-WDEREUQCSA-N -1 1 392.485 2.351 20 0 GEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000823175253 606581350 /nfs/dbraw/zinc/58/13/50/606581350.db2.gz DANQEGJWJAARLX-AWEZNQCLSA-N -1 1 396.476 2.353 20 0 GEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000823175253 606581351 /nfs/dbraw/zinc/58/13/51/606581351.db2.gz DANQEGJWJAARLX-AWEZNQCLSA-N -1 1 396.476 2.353 20 0 GEADMM CC(C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)=C1CCCC1 ZINC000819858032 606618364 /nfs/dbraw/zinc/61/83/64/606618364.db2.gz YITUCFRPEMTVJO-UHFFFAOYSA-N -1 1 383.456 2.271 20 0 GEADMM O=C(N1CCC(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC000823140380 606633598 /nfs/dbraw/zinc/63/35/98/606633598.db2.gz URHUOPOSDRZZOC-UHFFFAOYSA-N -1 1 389.769 2.128 20 0 GEADMM O=C(N1CCC(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC000823140380 606633599 /nfs/dbraw/zinc/63/35/99/606633599.db2.gz URHUOPOSDRZZOC-UHFFFAOYSA-N -1 1 389.769 2.128 20 0 GEADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000821772745 606647363 /nfs/dbraw/zinc/64/73/63/606647363.db2.gz OCCFSGBUZVOCRB-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000821772745 606647364 /nfs/dbraw/zinc/64/73/64/606647364.db2.gz OCCFSGBUZVOCRB-UHFFFAOYSA-N -1 1 390.197 2.390 20 0 GEADMM O=C(Cc1ccc(Br)s1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082374 606649714 /nfs/dbraw/zinc/64/97/14/606649714.db2.gz FWMWAJZJMUQBLW-UHFFFAOYSA-N -1 1 380.227 2.372 20 0 GEADMM O=C(Cc1ccc(Br)s1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082374 606649715 /nfs/dbraw/zinc/64/97/15/606649715.db2.gz FWMWAJZJMUQBLW-UHFFFAOYSA-N -1 1 380.227 2.372 20 0 GEADMM CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820137422 606651924 /nfs/dbraw/zinc/65/19/24/606651924.db2.gz KIEHLYGTRKVTSS-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820137422 606651925 /nfs/dbraw/zinc/65/19/25/606651925.db2.gz KIEHLYGTRKVTSS-UHFFFAOYSA-N -1 1 381.396 2.149 20 0 GEADMM O=C(CCSc1ccc2c(c1)OCCO2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822974219 606652929 /nfs/dbraw/zinc/65/29/29/606652929.db2.gz BMWGHZSCRATYNH-UHFFFAOYSA-N -1 1 399.432 2.259 20 0 GEADMM O=C(CCSc1ccc2c(c1)OCCO2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822974219 606652930 /nfs/dbraw/zinc/65/29/30/606652930.db2.gz BMWGHZSCRATYNH-UHFFFAOYSA-N -1 1 399.432 2.259 20 0 GEADMM O=C(Cc1coc(-c2ccc(F)cc2)n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823118654 606653833 /nfs/dbraw/zinc/65/38/33/606653833.db2.gz KHXNZMLTXCYFDU-UHFFFAOYSA-N -1 1 380.339 2.342 20 0 GEADMM O=C(Cc1coc(-c2ccc(F)cc2)n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823118654 606653834 /nfs/dbraw/zinc/65/38/34/606653834.db2.gz KHXNZMLTXCYFDU-UHFFFAOYSA-N -1 1 380.339 2.342 20 0 GEADMM CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000821476389 606747040 /nfs/dbraw/zinc/74/70/40/606747040.db2.gz OBQLZNJJNKQNEE-NSHDSACASA-N -1 1 390.407 2.365 20 0 GEADMM CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000821476389 606747042 /nfs/dbraw/zinc/74/70/42/606747042.db2.gz OBQLZNJJNKQNEE-NSHDSACASA-N -1 1 390.407 2.365 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000822535175 606752403 /nfs/dbraw/zinc/75/24/03/606752403.db2.gz IRVYIWMOMNOGES-MCIONIFRSA-N -1 1 382.424 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000822535175 606752405 /nfs/dbraw/zinc/75/24/05/606752405.db2.gz IRVYIWMOMNOGES-MCIONIFRSA-N -1 1 382.424 2.246 20 0 GEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000819834655 606756298 /nfs/dbraw/zinc/75/62/98/606756298.db2.gz QIGURBSOERQAAB-UHFFFAOYSA-N -1 1 388.330 2.453 20 0 GEADMM CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821240200 606763429 /nfs/dbraw/zinc/76/34/29/606763429.db2.gz FOSUJLZHJHSGDZ-UHFFFAOYSA-N -1 1 377.401 2.230 20 0 GEADMM CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820995790 606764715 /nfs/dbraw/zinc/76/47/15/606764715.db2.gz YEXCFZSUJRZIOU-LBPRGKRZSA-N -1 1 389.412 2.372 20 0 GEADMM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000823387472 606765252 /nfs/dbraw/zinc/76/52/52/606765252.db2.gz LFOIFGWBFXGTCV-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCc2nc(C3CCCC3)no2)n1 ZINC000819972020 606810096 /nfs/dbraw/zinc/81/00/96/606810096.db2.gz XKWSHEGGKSIQEV-UHFFFAOYSA-N -1 1 399.459 2.430 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCc2nc(C3CCCC3)no2)n1 ZINC000819972020 606810098 /nfs/dbraw/zinc/81/00/98/606810098.db2.gz XKWSHEGGKSIQEV-UHFFFAOYSA-N -1 1 399.459 2.430 20 0 GEADMM O=C(NCCc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823223969 606812904 /nfs/dbraw/zinc/81/29/04/606812904.db2.gz MUMUIFJIDPFTTH-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=C(NCCc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823223969 606812905 /nfs/dbraw/zinc/81/29/05/606812905.db2.gz MUMUIFJIDPFTTH-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)c1ccncc1 ZINC000823601098 606813328 /nfs/dbraw/zinc/81/33/28/606813328.db2.gz QNUCKZYLYCSUFL-UHFFFAOYSA-N -1 1 393.432 2.052 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000823478777 606818068 /nfs/dbraw/zinc/81/80/68/606818068.db2.gz RWSVAJTWINMGEZ-UHFFFAOYSA-N -1 1 378.436 2.209 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000823478777 606818070 /nfs/dbraw/zinc/81/80/70/606818070.db2.gz RWSVAJTWINMGEZ-UHFFFAOYSA-N -1 1 378.436 2.209 20 0 GEADMM CCCCCC[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821050073 606820623 /nfs/dbraw/zinc/82/06/23/606820623.db2.gz PHBFHDYNOCWSGB-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM CCCCCC[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821050073 606820624 /nfs/dbraw/zinc/82/06/24/606820624.db2.gz PHBFHDYNOCWSGB-HUUCEWRRSA-N -1 1 386.504 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CCCCCC1 ZINC000820777118 606821278 /nfs/dbraw/zinc/82/12/78/606821278.db2.gz PGUOSCRPGYGVMY-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CCCCCC1 ZINC000820777118 606821280 /nfs/dbraw/zinc/82/12/80/606821280.db2.gz PGUOSCRPGYGVMY-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC1CCCCC1 ZINC000820777961 606824722 /nfs/dbraw/zinc/82/47/22/606824722.db2.gz UCJMTZRHXFDEJY-OAHLLOKOSA-N -1 1 398.515 2.444 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC1CCCCC1 ZINC000820777961 606824723 /nfs/dbraw/zinc/82/47/23/606824723.db2.gz UCJMTZRHXFDEJY-OAHLLOKOSA-N -1 1 398.515 2.444 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000823123180 606826090 /nfs/dbraw/zinc/82/60/90/606826090.db2.gz QUINTOYVVMREPV-SFHVURJKSA-N -1 1 378.436 2.076 20 0 GEADMM Cc1cc(C)cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822196314 606832029 /nfs/dbraw/zinc/83/20/29/606832029.db2.gz DTGKYBAIPIAUFN-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1cc(C)cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822196314 606832031 /nfs/dbraw/zinc/83/20/31/606832031.db2.gz DTGKYBAIPIAUFN-CQSZACIVSA-N -1 1 393.455 2.016 20 0 GEADMM CC(C)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820051940 606876347 /nfs/dbraw/zinc/87/63/47/606876347.db2.gz YMSITQHPCZHBFI-QGZVFWFLSA-N -1 1 384.465 2.206 20 0 GEADMM CC(C)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820051940 606876348 /nfs/dbraw/zinc/87/63/48/606876348.db2.gz YMSITQHPCZHBFI-QGZVFWFLSA-N -1 1 384.465 2.206 20 0 GEADMM O[C@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823674867 606877767 /nfs/dbraw/zinc/87/77/67/606877767.db2.gz SNLQDDZFVYMQGB-VXGBXAGGSA-N -1 1 392.872 2.306 20 0 GEADMM O[C@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823674867 606877768 /nfs/dbraw/zinc/87/77/68/606877768.db2.gz SNLQDDZFVYMQGB-VXGBXAGGSA-N -1 1 392.872 2.306 20 0 GEADMM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(C)c1 ZINC000822238799 606886997 /nfs/dbraw/zinc/88/69/97/606886997.db2.gz VJBGLGLGQMMYBQ-UHFFFAOYSA-N -1 1 379.392 2.240 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC(C(F)F)CC1 ZINC000823607389 607007392 /nfs/dbraw/zinc/00/73/92/607007392.db2.gz TVCPJNXFRHJTON-UHFFFAOYSA-N -1 1 377.804 2.186 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(C(F)F)CC1 ZINC000823607389 607007394 /nfs/dbraw/zinc/00/73/94/607007394.db2.gz TVCPJNXFRHJTON-UHFFFAOYSA-N -1 1 377.804 2.186 20 0 GEADMM O=C(C[C@@H]1COC(=O)C1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822945407 607024818 /nfs/dbraw/zinc/02/48/18/607024818.db2.gz DGEFTWBAYOEBJK-LBPRGKRZSA-N -1 1 383.433 2.165 20 0 GEADMM CCCC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000821026951 607026172 /nfs/dbraw/zinc/02/61/72/607026172.db2.gz IKUHNTAZUQSUCK-UHFFFAOYSA-N -1 1 385.472 2.351 20 0 GEADMM CCOC(=O)C(C)(C)n1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000821315412 607032105 /nfs/dbraw/zinc/03/21/05/607032105.db2.gz SYRCMRLBNJKIDV-UHFFFAOYSA-N -1 1 376.808 2.153 20 0 GEADMM CCOC(=O)C(C)(C)n1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000821315412 607032107 /nfs/dbraw/zinc/03/21/07/607032107.db2.gz SYRCMRLBNJKIDV-UHFFFAOYSA-N -1 1 376.808 2.153 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccnn2C(C)C)c1-c1nn[n-]n1 ZINC000822486420 607115547 /nfs/dbraw/zinc/11/55/47/607115547.db2.gz JKVHAACSDSOSML-UHFFFAOYSA-N -1 1 392.423 2.495 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c2cccnc12 ZINC000821838324 607122386 /nfs/dbraw/zinc/12/23/86/607122386.db2.gz LEOOIABRNHAFNU-UHFFFAOYSA-N -1 1 382.405 2.224 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(COC2CCOCC2)c1 ZINC000823436242 607159361 /nfs/dbraw/zinc/15/93/61/607159361.db2.gz NIZZCSOGHDEOBN-UHFFFAOYSA-N -1 1 395.419 2.314 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(COC2CCOCC2)c1 ZINC000823436242 607159363 /nfs/dbraw/zinc/15/93/63/607159363.db2.gz NIZZCSOGHDEOBN-UHFFFAOYSA-N -1 1 395.419 2.314 20 0 GEADMM O=C(NCc1ccc(O)c(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823253818 607162060 /nfs/dbraw/zinc/16/20/60/607162060.db2.gz MGERWXADWBNYAJ-UHFFFAOYSA-N -1 1 380.227 2.326 20 0 GEADMM CCS[C@@H](C)c1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000821449255 607165882 /nfs/dbraw/zinc/16/58/82/607165882.db2.gz RKHNYVGURHHNPB-JTQLQIEISA-N -1 1 383.437 2.427 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000822486232 607178354 /nfs/dbraw/zinc/17/83/54/607178354.db2.gz CFKSNOJWLGWMKF-SFHVURJKSA-N -1 1 390.403 2.138 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](CCO)c1cccs1 ZINC000822534918 607187030 /nfs/dbraw/zinc/18/70/30/607187030.db2.gz CBBIWKWHLMGCRQ-GFCCVEGCSA-N -1 1 398.448 2.474 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](CCO)c1cccs1 ZINC000822534918 607187031 /nfs/dbraw/zinc/18/70/31/607187031.db2.gz CBBIWKWHLMGCRQ-GFCCVEGCSA-N -1 1 398.448 2.474 20 0 GEADMM CCCCc1ccc2nc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)sc2c1 ZINC000821077984 607214128 /nfs/dbraw/zinc/21/41/28/607214128.db2.gz ZRNVZUHKEIQZIT-UHFFFAOYSA-N -1 1 383.441 2.049 20 0 GEADMM Cc1ccc(Oc2ccccc2)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822266812 607222361 /nfs/dbraw/zinc/22/23/61/607222361.db2.gz JXHXXEFZTYITSE-UHFFFAOYSA-N -1 1 376.380 2.198 20 0 GEADMM COc1ccc(OCC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1C ZINC000821842867 607239080 /nfs/dbraw/zinc/23/90/80/607239080.db2.gz WBUJBKRXMJBKHG-UHFFFAOYSA-N -1 1 385.428 2.153 20 0 GEADMM COc1ccc(OCC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1C ZINC000821842867 607239081 /nfs/dbraw/zinc/23/90/81/607239081.db2.gz WBUJBKRXMJBKHG-UHFFFAOYSA-N -1 1 385.428 2.153 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)CC2(O)CCCC2)c1-c1nn[n-]n1 ZINC000826231324 607777692 /nfs/dbraw/zinc/77/76/92/607777692.db2.gz GXTBUQHEBYMOFJ-UHFFFAOYSA-N -1 1 388.497 2.238 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccc2c(c1)OCCCO2 ZINC000826418681 607865683 /nfs/dbraw/zinc/86/56/83/607865683.db2.gz RAYALBRSHREIJE-UHFFFAOYSA-N -1 1 385.355 2.185 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccc2c(c1)OCCCO2 ZINC000826418681 607865684 /nfs/dbraw/zinc/86/56/84/607865684.db2.gz RAYALBRSHREIJE-UHFFFAOYSA-N -1 1 385.355 2.185 20 0 GEADMM COc1c(C)cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826167051 607867686 /nfs/dbraw/zinc/86/76/86/607867686.db2.gz NKMNBRWZFXVSDX-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM COc1c(C)cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826167051 607867687 /nfs/dbraw/zinc/86/76/87/607867687.db2.gz NKMNBRWZFXVSDX-UHFFFAOYSA-N -1 1 378.385 2.399 20 0 GEADMM COc1cc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000826177938 607867851 /nfs/dbraw/zinc/86/78/51/607867851.db2.gz BQXVBXFFNOOHQR-UHFFFAOYSA-N -1 1 394.384 2.099 20 0 GEADMM COc1cc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000826177938 607867852 /nfs/dbraw/zinc/86/78/52/607867852.db2.gz BQXVBXFFNOOHQR-UHFFFAOYSA-N -1 1 394.384 2.099 20 0 GEADMM Cc1ccnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)n1 ZINC000826309529 607893291 /nfs/dbraw/zinc/89/32/91/607893291.db2.gz RXYXZBVKKFIDSH-UHFFFAOYSA-N -1 1 398.224 2.091 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CCSC2)c1-c1nn[n-]n1 ZINC000826231448 607918481 /nfs/dbraw/zinc/91/84/81/607918481.db2.gz LQQGEXMQKWEDEA-JTQLQIEISA-N -1 1 376.511 2.439 20 0 GEADMM CS(=O)(=O)C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000826221961 607987014 /nfs/dbraw/zinc/98/70/14/607987014.db2.gz CDYRJBKHWROTCV-LBPRGKRZSA-N -1 1 378.845 2.113 20 0 GEADMM CS(=O)(=O)C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826221961 607987015 /nfs/dbraw/zinc/98/70/15/607987015.db2.gz CDYRJBKHWROTCV-LBPRGKRZSA-N -1 1 378.845 2.113 20 0 GEADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826290938 607990579 /nfs/dbraw/zinc/99/05/79/607990579.db2.gz HVYZHQHVRBOSSV-CQSZACIVSA-N -1 1 393.455 2.003 20 0 GEADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826290938 607990580 /nfs/dbraw/zinc/99/05/80/607990580.db2.gz HVYZHQHVRBOSSV-CQSZACIVSA-N -1 1 393.455 2.003 20 0 GEADMM O=C(CCCC(=O)Nc1ccccc1-c1nn[nH]n1)Nc1ccc(F)cc1[O-] ZINC000826405896 607996302 /nfs/dbraw/zinc/99/63/02/607996302.db2.gz YLLOOBFZHRZZRP-UHFFFAOYSA-N -1 1 384.371 2.459 20 0 GEADMM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826288135 607998053 /nfs/dbraw/zinc/99/80/53/607998053.db2.gz SFSJQKSOXGIXSA-INIZCTEOSA-N -1 1 392.419 2.010 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccnc1OCC(F)(F)F ZINC000826450728 607998291 /nfs/dbraw/zinc/99/82/91/607998291.db2.gz APXWBPFFIMRLMM-UHFFFAOYSA-N -1 1 380.286 2.161 20 0 GEADMM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824236457 607998383 /nfs/dbraw/zinc/99/83/83/607998383.db2.gz NWPPLMVNKRRVQV-ZDUSSCGKSA-N -1 1 390.444 2.450 20 0 GEADMM CC(C)CC(=O)N[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000824229136 607999050 /nfs/dbraw/zinc/99/90/50/607999050.db2.gz OIPYYMHCYHSBHD-GOSISDBHSA-N -1 1 394.435 2.414 20 0 GEADMM CN1C(=O)CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@@H]1c1ccccc1 ZINC000826011066 607999437 /nfs/dbraw/zinc/99/94/37/607999437.db2.gz VSMXWYVDMDNPRE-KDOFPFPSSA-N -1 1 392.419 2.121 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnnn1-c1ccccc1Cl ZINC000826450768 607999573 /nfs/dbraw/zinc/99/95/73/607999573.db2.gz CVEYVQKCBJSMJC-UHFFFAOYSA-N -1 1 382.771 2.059 20 0 GEADMM Cc1c([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n[nH]c1-c1ccccc1 ZINC000826233666 608012323 /nfs/dbraw/zinc/01/23/23/608012323.db2.gz QNESYYXVDFNVGH-UHFFFAOYSA-N -1 1 381.421 2.366 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000826425225 608013239 /nfs/dbraw/zinc/01/32/39/608013239.db2.gz VGRTZGATTYABIP-HNNXBMFYSA-N -1 1 383.412 2.170 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000826425225 608013240 /nfs/dbraw/zinc/01/32/40/608013240.db2.gz VGRTZGATTYABIP-HNNXBMFYSA-N -1 1 383.412 2.170 20 0 GEADMM O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1sccc1-c1nn[n-]n1 ZINC000826462026 608029286 /nfs/dbraw/zinc/02/92/86/608029286.db2.gz MHRCVCNYLZZEQM-AWEZNQCLSA-N -1 1 383.433 2.276 20 0 GEADMM Cc1nn(-c2ccccc2)c(Cn2cnc(C(C)C)cc2=O)c1-c1nn[n-]n1 ZINC000826332852 608078292 /nfs/dbraw/zinc/07/82/92/608078292.db2.gz KICJRWGUZSFXDU-UHFFFAOYSA-N -1 1 376.424 2.089 20 0 GEADMM O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826442572 608102145 /nfs/dbraw/zinc/10/21/45/608102145.db2.gz BBOVPIRTWFRMOC-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826442572 608102146 /nfs/dbraw/zinc/10/21/46/608102146.db2.gz BBOVPIRTWFRMOC-UHFFFAOYSA-N -1 1 399.414 2.444 20 0 GEADMM Cc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)cc1 ZINC000826286041 608125296 /nfs/dbraw/zinc/12/52/96/608125296.db2.gz QSOKPLQZZVITAJ-AWEZNQCLSA-N -1 1 387.440 2.492 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000826424898 608147822 /nfs/dbraw/zinc/14/78/22/608147822.db2.gz HVHJOJNODVORJO-GOSISDBHSA-N -1 1 385.431 2.238 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000826424898 608147824 /nfs/dbraw/zinc/14/78/24/608147824.db2.gz HVHJOJNODVORJO-GOSISDBHSA-N -1 1 385.431 2.238 20 0 GEADMM Cc1nc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(Cl)cc2)no1 ZINC000826323957 608165211 /nfs/dbraw/zinc/16/52/11/608165211.db2.gz ZCUZUTDXZSMCTE-CQSZACIVSA-N -1 1 396.798 2.126 20 0 GEADMM Cc1nc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(Cl)cc2)no1 ZINC000826323957 608165213 /nfs/dbraw/zinc/16/52/13/608165213.db2.gz ZCUZUTDXZSMCTE-CQSZACIVSA-N -1 1 396.798 2.126 20 0 GEADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000826011092 608183986 /nfs/dbraw/zinc/18/39/86/608183986.db2.gz WQRMFUHKIJKGCJ-SNVBAGLBSA-N -1 1 393.835 2.357 20 0 GEADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000826011092 608183988 /nfs/dbraw/zinc/18/39/88/608183988.db2.gz WQRMFUHKIJKGCJ-SNVBAGLBSA-N -1 1 393.835 2.357 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC/C=C\c1ccccc1 ZINC000825923646 608211737 /nfs/dbraw/zinc/21/17/37/608211737.db2.gz PXDYLLDNKUITRD-YHYXMXQVSA-N -1 1 380.456 2.057 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC/C=C\c1ccccc1 ZINC000825923646 608211738 /nfs/dbraw/zinc/21/17/38/608211738.db2.gz PXDYLLDNKUITRD-YHYXMXQVSA-N -1 1 380.456 2.057 20 0 GEADMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427178 608250911 /nfs/dbraw/zinc/25/09/11/608250911.db2.gz IDNXSKOJYLSYSN-KRWDZBQOSA-N -1 1 375.367 2.315 20 0 GEADMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427178 608250913 /nfs/dbraw/zinc/25/09/13/608250913.db2.gz IDNXSKOJYLSYSN-KRWDZBQOSA-N -1 1 375.367 2.315 20 0 GEADMM Cc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)s1 ZINC000826318644 608259214 /nfs/dbraw/zinc/25/92/14/608259214.db2.gz TWDQQPJELVWILT-UHFFFAOYSA-N -1 1 398.452 2.202 20 0 GEADMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825570672 608267588 /nfs/dbraw/zinc/26/75/88/608267588.db2.gz MJUGZUUVDKWBRK-UHFFFAOYSA-N -1 1 392.322 2.124 20 0 GEADMM CC[C@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825195548 608270595 /nfs/dbraw/zinc/27/05/95/608270595.db2.gz XCYCBOHUZABLQV-RISCZKNCSA-N -1 1 382.472 2.248 20 0 GEADMM CC[C@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825195548 608270596 /nfs/dbraw/zinc/27/05/96/608270596.db2.gz XCYCBOHUZABLQV-RISCZKNCSA-N -1 1 382.472 2.248 20 0 GEADMM CC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825195545 608270722 /nfs/dbraw/zinc/27/07/22/608270722.db2.gz XCYCBOHUZABLQV-FZMZJTMJSA-N -1 1 382.472 2.248 20 0 GEADMM CC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825195545 608270724 /nfs/dbraw/zinc/27/07/24/608270724.db2.gz XCYCBOHUZABLQV-FZMZJTMJSA-N -1 1 382.472 2.248 20 0 GEADMM CC[C@@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825195550 608270856 /nfs/dbraw/zinc/27/08/56/608270856.db2.gz XCYCBOHUZABLQV-SMDDNHRTSA-N -1 1 382.472 2.248 20 0 GEADMM CC[C@@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825195550 608270857 /nfs/dbraw/zinc/27/08/57/608270857.db2.gz XCYCBOHUZABLQV-SMDDNHRTSA-N -1 1 382.472 2.248 20 0 GEADMM CCOC(=O)CN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C(C)C ZINC000825511979 608311650 /nfs/dbraw/zinc/31/16/50/608311650.db2.gz NTYCKGRENRAYSS-UHFFFAOYSA-N -1 1 383.456 2.134 20 0 GEADMM CCC(=O)N1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000825034897 608346900 /nfs/dbraw/zinc/34/69/00/608346900.db2.gz SXRPDBIRIVYBHI-JTQLQIEISA-N -1 1 376.486 2.423 20 0 GEADMM CCC(=O)N1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000825034897 608346902 /nfs/dbraw/zinc/34/69/02/608346902.db2.gz SXRPDBIRIVYBHI-JTQLQIEISA-N -1 1 376.486 2.423 20 0 GEADMM FC(F)(F)c1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC000826368115 608398941 /nfs/dbraw/zinc/39/89/41/608398941.db2.gz CGAPRMPOYRKHAQ-UHFFFAOYSA-N -1 1 391.361 2.151 20 0 GEADMM FC(F)(F)c1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC000826368115 608398942 /nfs/dbraw/zinc/39/89/42/608398942.db2.gz CGAPRMPOYRKHAQ-UHFFFAOYSA-N -1 1 391.361 2.151 20 0 GEADMM CCN(Cc1ccncc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825439776 608415353 /nfs/dbraw/zinc/41/53/53/608415353.db2.gz NPPVQENVMNUDOW-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM CCN(Cc1ccncc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825439776 608415355 /nfs/dbraw/zinc/41/53/55/608415355.db2.gz NPPVQENVMNUDOW-UHFFFAOYSA-N -1 1 378.845 2.126 20 0 GEADMM Cc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(I)c1 ZINC000826292976 608428685 /nfs/dbraw/zinc/42/86/85/608428685.db2.gz VSKJFEADOWOXJZ-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM Cc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(I)c1 ZINC000826292976 608428686 /nfs/dbraw/zinc/42/86/86/608428686.db2.gz VSKJFEADOWOXJZ-UHFFFAOYSA-N -1 1 380.149 2.362 20 0 GEADMM O=C(NC1(CO)CCC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826427613 608474320 /nfs/dbraw/zinc/47/43/20/608474320.db2.gz VMSYEPGIZVHXEO-UHFFFAOYSA-N -1 1 383.383 2.443 20 0 GEADMM O=C(NC1(CO)CCC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826427613 608474323 /nfs/dbraw/zinc/47/43/23/608474323.db2.gz VMSYEPGIZVHXEO-UHFFFAOYSA-N -1 1 383.383 2.443 20 0 GEADMM CC(C)(NC(=O)CCCC(=O)c1ccc(Br)cc1)c1nn[n-]n1 ZINC000446313885 649977238 /nfs/dbraw/zinc/97/72/38/649977238.db2.gz AUQRBPRAYDNNAZ-UHFFFAOYSA-N -1 1 380.246 2.367 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2c1CCCC2 ZINC000825930020 608549480 /nfs/dbraw/zinc/54/94/80/608549480.db2.gz OFTJRZJWUKZWJV-UHFFFAOYSA-N -1 1 395.471 2.147 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2c1CCCC2 ZINC000825930020 608549482 /nfs/dbraw/zinc/54/94/82/608549482.db2.gz OFTJRZJWUKZWJV-UHFFFAOYSA-N -1 1 395.471 2.147 20 0 GEADMM CCCc1csc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)n1 ZINC000825353292 608562784 /nfs/dbraw/zinc/56/27/84/608562784.db2.gz UJXPFQIGYVSZKY-UHFFFAOYSA-N -1 1 377.455 2.351 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2SCCS2)c1-c1nn[n-]n1 ZINC000826332732 608565558 /nfs/dbraw/zinc/56/55/58/608565558.db2.gz FOHPJBODSQMWJM-UHFFFAOYSA-N -1 1 388.478 2.210 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826472537 608824369 /nfs/dbraw/zinc/82/43/69/608824369.db2.gz NSVPUYIFIBLNAB-BXKDBHETSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826472537 608824372 /nfs/dbraw/zinc/82/43/72/608824372.db2.gz NSVPUYIFIBLNAB-BXKDBHETSA-N -1 1 377.376 2.155 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000826424904 608894057 /nfs/dbraw/zinc/89/40/57/608894057.db2.gz HXJGBTDTSHSEJR-QGZVFWFLSA-N -1 1 391.460 2.299 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000826424904 608894062 /nfs/dbraw/zinc/89/40/62/608894062.db2.gz HXJGBTDTSHSEJR-QGZVFWFLSA-N -1 1 391.460 2.299 20 0 GEADMM CCc1ccc(CC)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825712140 609157853 /nfs/dbraw/zinc/15/78/53/609157853.db2.gz KVGHYJAOGCYWLU-UHFFFAOYSA-N -1 1 397.487 2.393 20 0 GEADMM CCc1ccc(CC)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825712140 609157855 /nfs/dbraw/zinc/15/78/55/609157855.db2.gz KVGHYJAOGCYWLU-UHFFFAOYSA-N -1 1 397.487 2.393 20 0 GEADMM CCC1(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCOCC1 ZINC000825176124 609162377 /nfs/dbraw/zinc/16/23/77/609162377.db2.gz HFZWJNQDJGWABN-UHFFFAOYSA-N -1 1 389.456 2.267 20 0 GEADMM CCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1CC ZINC000825712401 609162651 /nfs/dbraw/zinc/16/26/51/609162651.db2.gz QMDDMKMXKNOILB-UHFFFAOYSA-N -1 1 397.487 2.393 20 0 GEADMM CCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1CC ZINC000825712401 609162652 /nfs/dbraw/zinc/16/26/52/609162652.db2.gz QMDDMKMXKNOILB-UHFFFAOYSA-N -1 1 397.487 2.393 20 0 GEADMM Cc1nc(SCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)[n-]c(=O)c1C ZINC000826327747 609181252 /nfs/dbraw/zinc/18/12/52/609181252.db2.gz TVKSLLXNAJHGST-UHFFFAOYSA-N -1 1 382.409 2.321 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c1-c1nnn[n-]1 ZINC000826346916 609267380 /nfs/dbraw/zinc/26/73/80/609267380.db2.gz YUCPHGXNMUIRQP-AWEZNQCLSA-N -1 1 396.455 2.211 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c1-c1nn[n-]n1 ZINC000826346916 609267382 /nfs/dbraw/zinc/26/73/82/609267382.db2.gz YUCPHGXNMUIRQP-AWEZNQCLSA-N -1 1 396.455 2.211 20 0 GEADMM C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824936392 609278927 /nfs/dbraw/zinc/27/89/27/609278927.db2.gz GXWWXOMSLYAAOK-OCCSQVGLSA-N -1 1 398.446 2.298 20 0 GEADMM C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824936390 609279075 /nfs/dbraw/zinc/27/90/75/609279075.db2.gz GXWWXOMSLYAAOK-JSGCOSHPSA-N -1 1 398.446 2.298 20 0 GEADMM O=C(COCc1ccccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826416677 609289488 /nfs/dbraw/zinc/28/94/88/609289488.db2.gz KDLIGZFLQMUDPK-UHFFFAOYSA-N -1 1 393.382 2.347 20 0 GEADMM CCc1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000825750635 609292458 /nfs/dbraw/zinc/29/24/58/609292458.db2.gz UXBUAJRPRZHMGV-UHFFFAOYSA-N -1 1 384.400 2.463 20 0 GEADMM Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](OC(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000826341565 609298062 /nfs/dbraw/zinc/29/80/62/609298062.db2.gz KNRXXAUDWVYLBB-ONGXEEELSA-N -1 1 384.387 2.107 20 0 GEADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826283742 609301001 /nfs/dbraw/zinc/30/10/01/609301001.db2.gz ZEUIHXFMCZZGOE-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826283742 609301003 /nfs/dbraw/zinc/30/10/03/609301003.db2.gz ZEUIHXFMCZZGOE-ZDUSSCGKSA-N -1 1 397.487 2.124 20 0 GEADMM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825268169 609301910 /nfs/dbraw/zinc/30/19/10/609301910.db2.gz RFWAZPDOIKTTGY-QWHCGFSZSA-N -1 1 389.508 2.105 20 0 GEADMM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825268169 609301912 /nfs/dbraw/zinc/30/19/12/609301912.db2.gz RFWAZPDOIKTTGY-QWHCGFSZSA-N -1 1 389.508 2.105 20 0 GEADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCCCC1 ZINC000825134132 609302118 /nfs/dbraw/zinc/30/21/18/609302118.db2.gz SARQTEVLNXAFNA-ZDUSSCGKSA-N -1 1 389.508 2.105 20 0 GEADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCCCC1 ZINC000825134132 609302120 /nfs/dbraw/zinc/30/21/20/609302120.db2.gz SARQTEVLNXAFNA-ZDUSSCGKSA-N -1 1 389.508 2.105 20 0 GEADMM Cn1nccc1N1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000446444495 649980584 /nfs/dbraw/zinc/98/05/84/649980584.db2.gz NATVANPHDMFKAT-LBPRGKRZSA-N -1 1 379.258 2.287 20 0 GEADMM CCCCC[C@H](O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825268006 609312672 /nfs/dbraw/zinc/31/26/72/609312672.db2.gz PSRBEEZOCNZAOQ-LBPRGKRZSA-N -1 1 387.419 2.461 20 0 GEADMM CCC(CC)[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000825106598 609332036 /nfs/dbraw/zinc/33/20/36/609332036.db2.gz GHHRJIWYEGHXEJ-TZMCWYRMSA-N -1 1 397.476 2.268 20 0 GEADMM CCC(CC)[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000825106598 609332038 /nfs/dbraw/zinc/33/20/38/609332038.db2.gz GHHRJIWYEGHXEJ-TZMCWYRMSA-N -1 1 397.476 2.268 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3ccc(C(C)(C)C)cc3C2)n1 ZINC000826357068 609354600 /nfs/dbraw/zinc/35/46/00/609354600.db2.gz PWVVDGUESXDWAX-UHFFFAOYSA-N -1 1 380.456 2.488 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3ccc(C(C)(C)C)cc3C2)n1 ZINC000826357068 609354603 /nfs/dbraw/zinc/35/46/03/609354603.db2.gz PWVVDGUESXDWAX-UHFFFAOYSA-N -1 1 380.456 2.488 20 0 GEADMM CCCCOCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825291409 609358751 /nfs/dbraw/zinc/35/87/51/609358751.db2.gz REKVKSVQCDMFQZ-UHFFFAOYSA-N -1 1 388.407 2.130 20 0 GEADMM CS[C@@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826226194 609358922 /nfs/dbraw/zinc/35/89/22/609358922.db2.gz ULLZUWALYSQCRN-VIFPVBQESA-N -1 1 376.421 2.065 20 0 GEADMM CCn1cc(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825799481 609361291 /nfs/dbraw/zinc/36/12/91/609361291.db2.gz MGTBHDWLBVDEAT-UHFFFAOYSA-N -1 1 382.363 2.052 20 0 GEADMM O=C(NCc1ncccc1F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826444066 609364322 /nfs/dbraw/zinc/36/43/22/609364322.db2.gz OYGZRRACANZYIE-UHFFFAOYSA-N -1 1 397.349 2.047 20 0 GEADMM Cc1ncccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826330881 609397346 /nfs/dbraw/zinc/39/73/46/609397346.db2.gz LWYPHYUVVNVEIT-UHFFFAOYSA-N -1 1 385.327 2.357 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826472266 609399196 /nfs/dbraw/zinc/39/91/96/609399196.db2.gz FEEMNCMNFDLXJC-UHFFFAOYSA-N -1 1 377.433 2.312 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826472266 609399198 /nfs/dbraw/zinc/39/91/98/609399198.db2.gz FEEMNCMNFDLXJC-UHFFFAOYSA-N -1 1 377.433 2.312 20 0 GEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]2C ZINC000826212291 609426934 /nfs/dbraw/zinc/42/69/34/609426934.db2.gz MAJYAQAQPKZOMS-MNOVXSKESA-N -1 1 382.424 2.249 20 0 GEADMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]2C ZINC000826212291 609426936 /nfs/dbraw/zinc/42/69/36/609426936.db2.gz MAJYAQAQPKZOMS-MNOVXSKESA-N -1 1 382.424 2.249 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1-c1nnn[n-]1 ZINC000826346847 609470635 /nfs/dbraw/zinc/47/06/35/609470635.db2.gz XDYFTWQKCUPDNQ-LBPRGKRZSA-N -1 1 388.815 2.389 20 0 GEADMM Cc1onc(CC(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1-c1nn[n-]n1 ZINC000826346847 609470637 /nfs/dbraw/zinc/47/06/37/609470637.db2.gz XDYFTWQKCUPDNQ-LBPRGKRZSA-N -1 1 388.815 2.389 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1C(=O)[O-] ZINC000826291845 609529101 /nfs/dbraw/zinc/52/91/01/609529101.db2.gz YPRGOUSGOWCELV-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826494595 609588087 /nfs/dbraw/zinc/58/80/87/609588087.db2.gz JDGWDLHYAWKELS-CDNLZTBQSA-N -1 1 382.449 2.128 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000826494595 609588089 /nfs/dbraw/zinc/58/80/89/609588089.db2.gz JDGWDLHYAWKELS-CDNLZTBQSA-N -1 1 382.449 2.128 20 0 GEADMM O=S(=O)([N-]CCOc1ncccc1F)c1sccc1Br ZINC000446925963 649990703 /nfs/dbraw/zinc/99/07/03/649990703.db2.gz ULONQYNPGCTAPU-UHFFFAOYSA-N -1 1 381.248 2.402 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC(C)C ZINC000447275545 650004600 /nfs/dbraw/zinc/00/46/00/650004600.db2.gz VFOGPZHTMJQGJF-UHFFFAOYSA-N -1 1 384.479 2.230 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)[nH]n2)o1 ZINC000448517388 650016456 /nfs/dbraw/zinc/01/64/56/650016456.db2.gz QHJQVVXEGXFOJC-UHFFFAOYSA-N -1 1 380.348 2.351 20 0 GEADMM CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2[O-])CCN1C[C@H](C)O ZINC000450024909 650058339 /nfs/dbraw/zinc/05/83/39/650058339.db2.gz IQALLVWARPVZIO-QWRGUYRKSA-N -1 1 389.265 2.211 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCS[C@H](C)C2)c(F)c1 ZINC000451166868 650092247 /nfs/dbraw/zinc/09/22/47/650092247.db2.gz QDUDNEFHDGKZGM-LLVKDONJSA-N -1 1 396.531 2.103 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C)c(F)c1 ZINC000451276903 650100218 /nfs/dbraw/zinc/10/02/18/650100218.db2.gz PUMUGIOCBJUOJT-NEPJUHHUSA-N -1 1 378.491 2.396 20 0 GEADMM O=c1[n-]c(CN2CC[C@H](Cc3cccc(I)c3)C2)n[nH]1 ZINC000451189279 650094644 /nfs/dbraw/zinc/09/46/44/650094644.db2.gz JANHRFSRPVANAN-LLVKDONJSA-N -1 1 384.221 2.180 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCS2)c(F)c1 ZINC000451302993 650102052 /nfs/dbraw/zinc/10/20/52/650102052.db2.gz FXAUTEBRTDSHPV-LBPRGKRZSA-N -1 1 396.531 2.151 20 0 GEADMM O=S(=O)([N-]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1sccc1Cl ZINC000451358084 650106825 /nfs/dbraw/zinc/10/68/25/650106825.db2.gz ZSEXCAOFFWXYJU-ZIAGYGMSSA-N -1 1 386.926 2.315 20 0 GEADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2sccc2Cl)(C(=O)OC)C1(C)C ZINC000451441134 650114280 /nfs/dbraw/zinc/11/42/80/650114280.db2.gz YZCKAGAUAFCUCX-YGRLFVJLSA-N -1 1 381.903 2.427 20 0 GEADMM O=S(=O)([N-]CCCn1cc(CO)nn1)c1sc2ccccc2c1Cl ZINC000451559299 650124886 /nfs/dbraw/zinc/12/48/86/650124886.db2.gz CPGRZYFNFRGCKA-UHFFFAOYSA-N -1 1 386.886 2.007 20 0 GEADMM COCC(COC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000451889767 650150585 /nfs/dbraw/zinc/15/05/85/650150585.db2.gz NHUGPZWVCOIKHO-UHFFFAOYSA-N -1 1 378.697 2.104 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1COCC1(C)C ZINC000451980847 650160924 /nfs/dbraw/zinc/16/09/24/650160924.db2.gz RNWDVUBHHRFRHF-NSHDSACASA-N -1 1 382.265 2.483 20 0 GEADMM CC[C@H](NC(=O)c1cc(I)ccc1[O-])[C@@H](O)C(F)F ZINC000452948556 650201261 /nfs/dbraw/zinc/20/12/61/650201261.db2.gz WROSWLDOCPCHAS-WCBMZHEXSA-N -1 1 385.148 2.131 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)n1 ZINC000506915719 650451958 /nfs/dbraw/zinc/45/19/58/650451958.db2.gz WCFFDOJUPPECBT-UHFFFAOYSA-N -1 1 380.813 2.009 20 0 GEADMM Cc1cc(Br)c(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)s1 ZINC000461110478 650449314 /nfs/dbraw/zinc/44/93/14/650449314.db2.gz WLMGGHQSXMCSTR-UHFFFAOYSA-N -1 1 387.284 2.275 20 0 GEADMM Cc1c(Br)cccc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000461110607 650449353 /nfs/dbraw/zinc/44/93/53/650449353.db2.gz GNDQCGIPULDHNW-UHFFFAOYSA-N -1 1 381.255 2.214 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc([C@H](C)OC)nc2C)c1 ZINC000461461699 650454626 /nfs/dbraw/zinc/45/46/26/650454626.db2.gz ALDBMIRDNCYBSP-VIFPVBQESA-N -1 1 385.467 2.025 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)N(C)C)c2)ccc1F ZINC000507568059 650463156 /nfs/dbraw/zinc/46/31/56/650463156.db2.gz PCGAURZSBCGSSC-UHFFFAOYSA-N -1 1 390.433 2.324 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc(S(C)(=O)=O)c1 ZINC000507614075 650464925 /nfs/dbraw/zinc/46/49/25/650464925.db2.gz BJJSWNCNLCYERC-UHFFFAOYSA-N -1 1 383.447 2.102 20 0 GEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)c1C ZINC000508196660 650476945 /nfs/dbraw/zinc/47/69/45/650476945.db2.gz UAYVLYTXRJBZRL-UHFFFAOYSA-N -1 1 386.861 2.103 20 0 GEADMM O=C(NCCc1csc(=O)[nH]1)c1ccc(I)c([O-])c1 ZINC000508131991 650475415 /nfs/dbraw/zinc/47/54/15/650475415.db2.gz GRWUZMKOPCCJRK-UHFFFAOYSA-N -1 1 390.202 2.131 20 0 GEADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)c1 ZINC000509201441 650489539 /nfs/dbraw/zinc/48/95/39/650489539.db2.gz DTHNLXNJWWSWIE-UHFFFAOYSA-N -1 1 378.523 2.356 20 0 GEADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000509537182 650495451 /nfs/dbraw/zinc/49/54/51/650495451.db2.gz JLYRQKXANWCDNT-UHFFFAOYSA-N -1 1 397.503 2.347 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2ccc(I)cc2)n1 ZINC000509992691 650505379 /nfs/dbraw/zinc/50/53/79/650505379.db2.gz PIZMXCCYDJEXST-UHFFFAOYSA-N -1 1 399.188 2.372 20 0 GEADMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000510644977 650515927 /nfs/dbraw/zinc/51/59/27/650515927.db2.gz CUQJICTVUIPIQA-LLVKDONJSA-N -1 1 392.786 2.132 20 0 GEADMM O=C(COc1ccc2cc(Br)ccc2c1)NC1(c2nn[n-]n2)CC1 ZINC000470990117 650517700 /nfs/dbraw/zinc/51/77/00/650517700.db2.gz ZXXRSZIXMZMMFP-UHFFFAOYSA-N -1 1 388.225 2.300 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)sc1Cl ZINC000510984098 650522662 /nfs/dbraw/zinc/52/26/62/650522662.db2.gz OTMCANIWMPLSCU-SECBINFHSA-N -1 1 392.852 2.251 20 0 GEADMM O=S(=O)([N-]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(F)ccc1Cl ZINC000511027015 650523881 /nfs/dbraw/zinc/52/38/81/650523881.db2.gz GXFOKPQXJSVJDE-GFCCVEGCSA-N -1 1 390.786 2.021 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)[C@@H]1CCCOC1 ZINC000512405434 650547615 /nfs/dbraw/zinc/54/76/15/650547615.db2.gz KSEIQZFHDOXZPQ-IAQYHMDHSA-N -1 1 393.864 2.257 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cc1Cl ZINC000476327626 650548629 /nfs/dbraw/zinc/54/86/29/650548629.db2.gz VUYPRQBQQXWGEE-UHFFFAOYSA-N -1 1 380.813 2.125 20 0 GEADMM CC(C)N(Cc1ccco1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476953478 650563971 /nfs/dbraw/zinc/56/39/71/650563971.db2.gz QKDFRUNHNVVXGI-UHFFFAOYSA-N -1 1 390.458 2.390 20 0 GEADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000477042117 650567143 /nfs/dbraw/zinc/56/71/43/650567143.db2.gz VVRZMQTUADAAJY-UHFFFAOYSA-N -1 1 378.223 2.420 20 0 GEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)CS4)cc2o1 ZINC000514765310 650578697 /nfs/dbraw/zinc/57/86/97/650578697.db2.gz DSAMEFJYCRCEOW-UHFFFAOYSA-N -1 1 377.403 2.378 20 0 GEADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3Br)cc2C[C@@H]1C ZINC000515173836 650588653 /nfs/dbraw/zinc/58/86/53/650588653.db2.gz RQVPTAUYDUDATN-QMMMGPOBSA-N -1 1 399.270 2.271 20 0 GEADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc2c[nH]nc2cc1C ZINC000479125258 650596488 /nfs/dbraw/zinc/59/64/88/650596488.db2.gz HEJVMJFHYXNENV-UHFFFAOYSA-N -1 1 379.463 2.384 20 0 GEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)cc(C)c1C ZINC000479265508 650600517 /nfs/dbraw/zinc/60/05/17/650600517.db2.gz IWUVACIGRZDPMU-UHFFFAOYSA-N -1 1 387.435 2.107 20 0 GEADMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000520712446 650615681 /nfs/dbraw/zinc/61/56/81/650615681.db2.gz DVVYGXBTWYJEIG-UHFFFAOYSA-N -1 1 381.207 2.134 20 0 GEADMM C[C@H](Oc1ccccc1Br)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522927822 650629426 /nfs/dbraw/zinc/62/94/26/650629426.db2.gz FDSWRGGTIGFIGP-JTQLQIEISA-N -1 1 380.246 2.315 20 0 GEADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc(F)ccc1F ZINC000480759588 650631229 /nfs/dbraw/zinc/63/12/29/650631229.db2.gz GSZACGOZWDVMJL-NSHDSACASA-N -1 1 377.359 2.373 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000480923001 650637585 /nfs/dbraw/zinc/63/75/85/650637585.db2.gz AMTWOJPDJZYTCV-OAHLLOKOSA-N -1 1 393.864 2.257 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)o1 ZINC000480983688 650639268 /nfs/dbraw/zinc/63/92/68/650639268.db2.gz UESXUQGTUKAECL-UHFFFAOYSA-N -1 1 379.312 2.285 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cn2)c1 ZINC000481228225 650641919 /nfs/dbraw/zinc/64/19/19/650641919.db2.gz DRHPKNBSNPGSEE-MRVPVSSYSA-N -1 1 389.227 2.263 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C ZINC000525018289 650649646 /nfs/dbraw/zinc/64/96/46/650649646.db2.gz AUZMSIPSUKSXHE-UHFFFAOYSA-N -1 1 384.479 2.230 20 0 GEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)o1 ZINC000528364819 650691157 /nfs/dbraw/zinc/69/11/57/650691157.db2.gz OJKSGCNVMAIORK-UHFFFAOYSA-N -1 1 383.857 2.278 20 0 GEADMM Cc1ccc(-c2nnc([N-]C(=O)c3coc(S(N)(=O)=O)c3)s2)c(C)c1 ZINC000485966485 650703966 /nfs/dbraw/zinc/70/39/66/650703966.db2.gz KQYODSAZLILQHW-UHFFFAOYSA-N -1 1 378.435 2.315 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)c(F)c1Cl ZINC000530544849 650726100 /nfs/dbraw/zinc/72/61/00/650726100.db2.gz HQQKVOCJEWVFCO-QMMMGPOBSA-N -1 1 390.285 2.378 20 0 GEADMM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000487120535 650728801 /nfs/dbraw/zinc/72/88/01/650728801.db2.gz DVWYMKKPIURFOT-LLVKDONJSA-N -1 1 376.283 2.301 20 0 GEADMM CCOCC[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000487669834 650736730 /nfs/dbraw/zinc/73/67/30/650736730.db2.gz AKYWWVZKDKKLCN-UHFFFAOYSA-N -1 1 399.650 2.264 20 0 GEADMM NS(=O)(=O)c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)nc1 ZINC000487496566 650734443 /nfs/dbraw/zinc/73/44/43/650734443.db2.gz HXMKMKKHCWQTTA-UHFFFAOYSA-N -1 1 376.463 2.375 20 0 GEADMM O=C(NNC(=S)NCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000006223179 642330727 /nfs/dbraw/zinc/33/07/27/642330727.db2.gz FDULYIQSMOYSKI-UHFFFAOYSA-N -1 1 380.267 2.464 20 0 GEADMM O=S(=O)([N-][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(F)c(F)c1F ZINC000531657736 650742195 /nfs/dbraw/zinc/74/21/95/650742195.db2.gz HDTUBQABPKTZGI-CHWSQXEVSA-N -1 1 378.416 2.026 20 0 GEADMM NC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000013265660 642374605 /nfs/dbraw/zinc/37/46/05/642374605.db2.gz DCAYDRZXDHUTDP-UHFFFAOYSA-N -1 1 399.222 2.047 20 0 GEADMM CCc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2)ncn1 ZINC000532495921 650748893 /nfs/dbraw/zinc/74/88/93/650748893.db2.gz VIRIDTZKLYCEEC-CQSZACIVSA-N -1 1 381.527 2.060 20 0 GEADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1 ZINC000026542168 642434635 /nfs/dbraw/zinc/43/46/35/642434635.db2.gz CXBLQPVDKVWQLL-UHFFFAOYSA-N -1 1 384.841 2.265 20 0 GEADMM CCOc1ccc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1OCC ZINC000027940413 642442572 /nfs/dbraw/zinc/44/25/72/642442572.db2.gz ATJGQLGWQDWEBQ-UHFFFAOYSA-N -1 1 387.889 2.392 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)c1Cl ZINC000027968894 642443461 /nfs/dbraw/zinc/44/34/61/642443461.db2.gz QYCVQZVTSPGPHH-UHFFFAOYSA-N -1 1 383.779 2.493 20 0 GEADMM COc1cc(OC)cc(C(=O)NNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000028812949 642453223 /nfs/dbraw/zinc/45/32/23/642453223.db2.gz AIKDPPNJFLTRTI-UHFFFAOYSA-N -1 1 395.209 2.247 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(N)=O)sc1C ZINC000532932679 650755312 /nfs/dbraw/zinc/75/53/12/650755312.db2.gz MKXDDDKMDZJHJA-GFCCVEGCSA-N -1 1 387.914 2.036 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)c1Cl ZINC000041065313 642524833 /nfs/dbraw/zinc/52/48/33/642524833.db2.gz GXKOCWNWRUPPOA-UHFFFAOYSA-N -1 1 382.642 2.454 20 0 GEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000533954750 650767617 /nfs/dbraw/zinc/76/76/17/650767617.db2.gz OXFZMTJFFWGQKG-UHFFFAOYSA-N -1 1 382.463 2.158 20 0 GEADMM CC(C)CN(CC(C)C)C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000042775888 642557113 /nfs/dbraw/zinc/55/71/13/642557113.db2.gz QVFNBMJBNZYEAL-UHFFFAOYSA-N -1 1 390.527 2.417 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(=O)OC ZINC000534165833 650769694 /nfs/dbraw/zinc/76/96/94/650769694.db2.gz RCWBDJLZEBLEBH-RXMQYKEDSA-N -1 1 376.681 2.394 20 0 GEADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000047251207 642625109 /nfs/dbraw/zinc/62/51/09/642625109.db2.gz JYSZAZWKVRAANK-UHFFFAOYSA-N -1 1 395.384 2.122 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)o1 ZINC000048127454 642644601 /nfs/dbraw/zinc/64/46/01/642644601.db2.gz DPVHNWRPIHKHDA-UHFFFAOYSA-N -1 1 377.447 2.487 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(cccc3COC)s2)co1 ZINC000534417646 650775057 /nfs/dbraw/zinc/77/50/57/650775057.db2.gz WPKZZGWMKSYAAY-UHFFFAOYSA-N -1 1 381.435 2.196 20 0 GEADMM O=C(COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)N[N-]C(=O)c1cccs1 ZINC000051671661 642702399 /nfs/dbraw/zinc/70/23/99/642702399.db2.gz YHILLKMNSBQGKQ-ZJUUUORDSA-N -1 1 378.372 2.421 20 0 GEADMM O=C(NCCN1C(=O)c2ccccc2C1=O)c1cc(Br)ccc1[O-] ZINC000054254393 642749477 /nfs/dbraw/zinc/74/94/77/642749477.db2.gz VEAZXXUGPBFMIG-UHFFFAOYSA-N -1 1 389.205 2.181 20 0 GEADMM CC(N[C@H](c1cccs1)c1ccc(F)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000054505407 642754678 /nfs/dbraw/zinc/75/46/78/642754678.db2.gz JDHXIIIINZAWCF-AWEZNQCLSA-N -1 1 375.450 2.371 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)c(Cl)c2)c(C)c1 ZINC000055667610 642778813 /nfs/dbraw/zinc/77/88/13/642778813.db2.gz ADHHXYRKKLTBRP-UHFFFAOYSA-N -1 1 382.869 2.480 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c(F)c1 ZINC000057116197 642805199 /nfs/dbraw/zinc/80/51/99/642805199.db2.gz KZVOBFQMXJIXEW-UHFFFAOYSA-N -1 1 384.454 2.487 20 0 GEADMM CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000491268954 650784874 /nfs/dbraw/zinc/78/48/74/650784874.db2.gz XDKLPYUGQUZVHI-ZDUSSCGKSA-N -1 1 390.274 2.029 20 0 GEADMM CCOc1ccc2nc(NC(=O)c3coc(S(=O)(=O)[N-]C)c3)sc2c1 ZINC000535125184 650785124 /nfs/dbraw/zinc/78/51/24/650785124.db2.gz LGMUFHGHOLXFAW-UHFFFAOYSA-N -1 1 381.435 2.448 20 0 GEADMM CC(C)CN1C(=O)C(=CNc2cc([N+](=O)[O-])ccc2Cl)C(=O)[N-]C1=S ZINC000060861682 642839120 /nfs/dbraw/zinc/83/91/20/642839120.db2.gz PKQFLTKKNOJAJF-POHAHGRESA-N -1 1 382.829 2.443 20 0 GEADMM CC(C)CN1C(=O)C(=CNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[N-]C1=S ZINC000060860953 642839220 /nfs/dbraw/zinc/83/92/20/642839220.db2.gz CXLSLGRXOWVADX-POHAHGRESA-N -1 1 382.829 2.443 20 0 GEADMM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1sccc1Br ZINC000063217787 642855156 /nfs/dbraw/zinc/85/51/56/642855156.db2.gz XBVXMYATXOPKCZ-NSHDSACASA-N -1 1 376.297 2.393 20 0 GEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1 ZINC000063443954 642858990 /nfs/dbraw/zinc/85/89/90/642858990.db2.gz LTVXFBJQPQVYGZ-UHFFFAOYSA-N -1 1 381.841 2.459 20 0 GEADMM Cc1ccnc2nc(C(=O)[N-]c3n[nH]c(-c4ccc(Br)cc4)n3)nn21 ZINC000063497143 642859512 /nfs/dbraw/zinc/85/95/12/642859512.db2.gz JDDVGLXIYQZMRK-UHFFFAOYSA-N -1 1 399.212 2.233 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(C)cc1Cl ZINC000063766087 642863103 /nfs/dbraw/zinc/86/31/03/642863103.db2.gz FGHJZPOTJIGCMT-UHFFFAOYSA-N -1 1 391.280 2.261 20 0 GEADMM O=C(NCC1CC1)N[N-]C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000065192896 642879113 /nfs/dbraw/zinc/87/91/13/642879113.db2.gz DHQGFCYLBSYEGA-UHFFFAOYSA-N -1 1 378.230 2.193 20 0 GEADMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc(Cl)c1Br ZINC000493369715 650793775 /nfs/dbraw/zinc/79/37/75/650793775.db2.gz PAUSQTFODTVGTC-UHFFFAOYSA-N -1 1 393.650 2.185 20 0 GEADMM Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc(Cl)c1Br ZINC000493369715 650793778 /nfs/dbraw/zinc/79/37/78/650793778.db2.gz PAUSQTFODTVGTC-UHFFFAOYSA-N -1 1 393.650 2.185 20 0 GEADMM O=S(=O)(CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000066872986 642943674 /nfs/dbraw/zinc/94/36/74/642943674.db2.gz YYFIPGLGAVJNOB-UHFFFAOYSA-N -1 1 393.408 2.246 20 0 GEADMM Cn1c(CCNC(=O)CCOc2cccc(Br)c2)n[n-]c1=S ZINC000067051484 642961276 /nfs/dbraw/zinc/96/12/76/642961276.db2.gz YWOWRGBMUUIVMJ-UHFFFAOYSA-N -1 1 385.287 2.368 20 0 GEADMM O=C(NCCOc1ccc(Br)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000068370333 642992048 /nfs/dbraw/zinc/99/20/48/642992048.db2.gz ZIVKVIWGICEADI-UHFFFAOYSA-N -1 1 388.221 2.494 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cc(Cl)cc(Cl)c2)o1 ZINC000068933533 643017268 /nfs/dbraw/zinc/01/72/68/643017268.db2.gz BONHWVNLIQVGRE-UHFFFAOYSA-N -1 1 377.249 2.467 20 0 GEADMM CN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(Br)cc2[O-])no1 ZINC000094087055 643086443 /nfs/dbraw/zinc/08/64/43/643086443.db2.gz YHEWOQCPKKCGIV-UHFFFAOYSA-N -1 1 383.246 2.264 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1cc(Br)cnc1Cl ZINC000096846005 643091145 /nfs/dbraw/zinc/09/11/45/643091145.db2.gz YBLIQLYEKAFOPY-WCBMZHEXSA-N -1 1 383.695 2.327 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000537353724 650813988 /nfs/dbraw/zinc/81/39/88/650813988.db2.gz KJDISMFGQCTJGQ-GFCCVEGCSA-N -1 1 384.841 2.277 20 0 GEADMM COc1ccc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1OC(F)F ZINC000101579606 643111199 /nfs/dbraw/zinc/11/11/99/643111199.db2.gz GSZQPOJEFZSVTC-UHFFFAOYSA-N -1 1 395.815 2.205 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)c2cnc(-c3ccccc3Cl)s2)[n-]1 ZINC000101664123 643113914 /nfs/dbraw/zinc/11/39/14/643113914.db2.gz HRXJCHTXZUPGKY-UHFFFAOYSA-N -1 1 383.842 2.237 20 0 GEADMM CS(=O)(=O)c1nc(NC(=O)c2cnc(-c3ccccc3Cl)s2)n[n-]1 ZINC000101664123 643113919 /nfs/dbraw/zinc/11/39/19/643113919.db2.gz HRXJCHTXZUPGKY-UHFFFAOYSA-N -1 1 383.842 2.237 20 0 GEADMM O=C(Nc1nnn[n-]1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000102895155 643143547 /nfs/dbraw/zinc/14/35/47/643143547.db2.gz INAUPSFCPTYFQX-UHFFFAOYSA-N -1 1 387.197 2.467 20 0 GEADMM O=C(Nc1nn[n-]n1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000102895155 643143550 /nfs/dbraw/zinc/14/35/50/643143550.db2.gz INAUPSFCPTYFQX-UHFFFAOYSA-N -1 1 387.197 2.467 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccsc3)s2)c1 ZINC000537849034 650824806 /nfs/dbraw/zinc/82/48/06/650824806.db2.gz OCGRTQLNTDBITG-UHFFFAOYSA-N -1 1 381.460 2.477 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCSCC(F)(F)F)o1 ZINC000537699143 650821117 /nfs/dbraw/zinc/82/11/17/650821117.db2.gz GOPWBIZUHYPLHX-UHFFFAOYSA-N -1 1 388.433 2.382 20 0 GEADMM O=C(NCCNc1ncc(Cl)cc1Cl)c1nc2ccccc2c(=O)[n-]1 ZINC000107324037 643253937 /nfs/dbraw/zinc/25/39/37/643253937.db2.gz HTSKTUTYZGGHSD-UHFFFAOYSA-N -1 1 378.219 2.467 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1C(N)=O ZINC000107532357 643257375 /nfs/dbraw/zinc/25/73/75/643257375.db2.gz NZUKTLSOGSTBOG-UHFFFAOYSA-N -1 1 382.873 2.178 20 0 GEADMM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1cc(Br)ccc1[O-] ZINC000109212713 643290882 /nfs/dbraw/zinc/29/08/82/643290882.db2.gz IVHOGHMWMMJWLW-LBPRGKRZSA-N -1 1 387.299 2.442 20 0 GEADMM COC[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000113435218 643397940 /nfs/dbraw/zinc/39/79/40/643397940.db2.gz GRJBIRSGQFLVBR-SNVBAGLBSA-N -1 1 375.206 2.495 20 0 GEADMM Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538950922 650839677 /nfs/dbraw/zinc/83/96/77/650839677.db2.gz AQZCWGVJFSKPFA-UHFFFAOYSA-N -1 1 379.419 2.317 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000538951888 650839794 /nfs/dbraw/zinc/83/97/94/650839794.db2.gz NTQRGEWPWWBWRW-UHFFFAOYSA-N -1 1 391.232 2.364 20 0 GEADMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538951460 650839816 /nfs/dbraw/zinc/83/98/16/650839816.db2.gz IGCQDIAWUUPPLB-AWEZNQCLSA-N -1 1 384.841 2.489 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC2CC2)CC2CC2)c(F)c1 ZINC000115591138 643443452 /nfs/dbraw/zinc/44/34/52/643443452.db2.gz MMASLMUDBHUZDI-UHFFFAOYSA-N -1 1 376.475 2.008 20 0 GEADMM O=S(=O)([N-]CC1(O)CCCCC1)c1cc(Br)cnc1Cl ZINC000115633010 643443842 /nfs/dbraw/zinc/44/38/42/643443842.db2.gz SJJAQQIALVCISS-UHFFFAOYSA-N -1 1 383.695 2.471 20 0 GEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@]1(O)CCSC1 ZINC000497910607 650841228 /nfs/dbraw/zinc/84/12/28/650841228.db2.gz LNYUUDATVOKJQO-KRWDZBQOSA-N -1 1 378.475 2.294 20 0 GEADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000116704653 643468158 /nfs/dbraw/zinc/46/81/58/643468158.db2.gz 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GEADMM O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(Br)ccc1[O-] ZINC000156391904 644093776 /nfs/dbraw/zinc/09/37/76/644093776.db2.gz ANOFWXVEEAZCPM-UHFFFAOYSA-N -1 1 377.260 2.236 20 0 GEADMM C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000156512069 644100331 /nfs/dbraw/zinc/10/03/31/644100331.db2.gz UJVLSSDRZLXDMY-VHSXEESVSA-N -1 1 376.837 2.035 20 0 GEADMM O=S(=O)([N-]CC1CCS(=O)(=O)CC1)c1cc(Cl)sc1Cl ZINC000159294701 644184924 /nfs/dbraw/zinc/18/49/24/644184924.db2.gz ARJDDYIHNZSDSH-UHFFFAOYSA-N -1 1 378.324 2.158 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543393304 650909339 /nfs/dbraw/zinc/90/93/39/650909339.db2.gz ARGNTJAUCJFTKD-ZETCQYMHSA-N -1 1 390.177 2.063 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c1Cl ZINC000172260900 644338237 /nfs/dbraw/zinc/33/82/37/644338237.db2.gz GVOSIUAEKTVJJX-UHFFFAOYSA-N -1 1 378.679 2.357 20 0 GEADMM Cc1cc(C(=O)N2CCNC(C)(C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000175418492 644390010 /nfs/dbraw/zinc/39/00/10/644390010.db2.gz 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ZINC000181133564 644524817 /nfs/dbraw/zinc/52/48/17/644524817.db2.gz NAXBCTOUZQTTPV-UHFFFAOYSA-N -1 1 379.869 2.385 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)sc1Br ZINC000544609194 650945635 /nfs/dbraw/zinc/94/56/35/650945635.db2.gz KDNGKWHVRVAWMU-ZCFIWIBFSA-N -1 1 382.223 2.411 20 0 GEADMM CC[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000544849826 650956104 /nfs/dbraw/zinc/95/61/04/650956104.db2.gz ZTZJBDBHGHLHBY-MRVPVSSYSA-N -1 1 392.396 2.207 20 0 GEADMM Cc1[nH]n(C)c2nnc(NC(=O)c3ccc(I)c([O-])c3)c1-2 ZINC000544859194 650956337 /nfs/dbraw/zinc/95/63/37/650956337.db2.gz MJGFCDLDRCMFAB-UHFFFAOYSA-N -1 1 397.176 2.167 20 0 GEADMM COC(=O)c1ccnc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000544860107 650956362 /nfs/dbraw/zinc/95/63/62/650956362.db2.gz UWNZIACFJDDGDT-UHFFFAOYSA-N -1 1 398.156 2.431 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CN1c1ccc(F)cc1 ZINC000545123527 650962035 /nfs/dbraw/zinc/96/20/35/650962035.db2.gz CLIXXVZSBNDGTG-OAHLLOKOSA-N -1 1 386.807 2.453 20 0 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ZINC000194633504 645338771 /nfs/dbraw/zinc/33/87/71/645338771.db2.gz TUERMUSRURUMLE-XMMPIXPASA-N -1 1 380.491 2.068 20 0 GEADMM CC[C@@H](NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000195028982 645355826 /nfs/dbraw/zinc/35/58/26/645355826.db2.gz WFFFWMNSPVJWMT-CYBMUJFWSA-N -1 1 382.873 2.377 20 0 GEADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3c(C)nn(C)c3Cl)n2)cc1 ZINC000195119759 645357021 /nfs/dbraw/zinc/35/70/21/645357021.db2.gz IGISRJRFTHNKOH-UHFFFAOYSA-N -1 1 381.845 2.150 20 0 GEADMM COc1ccc(-c2nc(S(=O)(=O)Cc3c(C)nn(C)c3Cl)n[n-]2)cc1 ZINC000195119759 645357024 /nfs/dbraw/zinc/35/70/24/645357024.db2.gz IGISRJRFTHNKOH-UHFFFAOYSA-N -1 1 381.845 2.150 20 0 GEADMM CCC[C@@](C)(NC(=O)c1ccc(I)c([O-])c1)C(=O)OC ZINC000230890177 645400215 /nfs/dbraw/zinc/40/02/15/645400215.db2.gz ZYFZYPJBXKGIFS-CQSZACIVSA-N -1 1 391.205 2.458 20 0 GEADMM COc1cc(CNC(=O)c2ccc(I)c([O-])c2)ccn1 ZINC000230887295 645400558 /nfs/dbraw/zinc/40/05/58/645400558.db2.gz QYRFXXHZDKXELD-UHFFFAOYSA-N -1 1 384.173 2.330 20 0 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GEADMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000372614700 647809448 /nfs/dbraw/zinc/80/94/48/647809448.db2.gz VJAYNPSPTHXOCI-UHFFFAOYSA-N -1 1 378.435 2.429 20 0 GEADMM COCc1ncsc1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000376088903 647838852 /nfs/dbraw/zinc/83/88/52/647838852.db2.gz NVXNIPIHCVQNRK-NSHDSACASA-N -1 1 382.808 2.115 20 0 GEADMM COC[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000392848609 647895195 /nfs/dbraw/zinc/89/51/95/647895195.db2.gz PPGUMHMMJBRHNE-INIZCTEOSA-N -1 1 396.241 2.422 20 0 GEADMM O=C(c1ccc(I)c([O-])c1)N1CCN(CCCF)CC1 ZINC000402861073 647905004 /nfs/dbraw/zinc/90/50/04/647905004.db2.gz UPWYWFYREQFYKM-UHFFFAOYSA-N -1 1 392.212 2.114 20 0 GEADMM C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)cc3F)C2)C1 ZINC000408171821 647932107 /nfs/dbraw/zinc/93/21/07/647932107.db2.gz OINFIPQHQMHSJA-BLLLJJGKSA-N -1 1 390.502 2.398 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)ccc1F ZINC000410366322 648003063 /nfs/dbraw/zinc/00/30/63/648003063.db2.gz PVIZPUAAWTUWPN-UHFFFAOYSA-N -1 1 385.804 2.337 20 0 GEADMM CCOc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc(Cl)c1[O-] ZINC000413889975 648081039 /nfs/dbraw/zinc/08/10/39/648081039.db2.gz ADAVLLNTRXAWEH-CQSZACIVSA-N -1 1 387.885 2.484 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC)[C@@H](O)C(F)(F)F ZINC000416452283 648128671 /nfs/dbraw/zinc/12/86/71/648128671.db2.gz OVMDPTNDUPCZIJ-LDYMZIIASA-N -1 1 389.779 2.107 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)s1 ZINC000416481833 648142305 /nfs/dbraw/zinc/14/23/05/648142305.db2.gz CQASVROZDMFHAW-UHFFFAOYSA-N -1 1 375.859 2.019 20 0 GEADMM CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416638100 648197027 /nfs/dbraw/zinc/19/70/27/648197027.db2.gz VSXYZRWVNJQGHY-UHFFFAOYSA-N -1 1 378.491 2.396 20 0 GEADMM COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2cc(Br)ccc2OC)c[nH]1 ZINC000417559589 648252623 /nfs/dbraw/zinc/25/26/23/648252623.db2.gz IRXOKQHJBWUTDS-CQSZACIVSA-N -1 1 397.225 2.488 20 0 GEADMM O=C([O-])[C@@H]1CC(=O)N(CCNCc2cc(Br)ccc2Cl)C1 ZINC000417616116 648256415 /nfs/dbraw/zinc/25/64/15/648256415.db2.gz ATWGAYBDACJZCO-SNVBAGLBSA-N -1 1 375.650 2.125 20 0 GEADMM CC[C@@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000422129505 648524291 /nfs/dbraw/zinc/52/42/91/648524291.db2.gz UCFDLSVGHKFVHL-GHMZBOCLSA-N -1 1 395.308 2.346 20 0 GEADMM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(S(N)(=O)=O)s3)s2)cc1 ZINC000518659386 648606347 /nfs/dbraw/zinc/60/63/47/648606347.db2.gz GXSJSCUMAMSHRT-UHFFFAOYSA-N -1 1 394.503 2.399 20 0 GEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(CS(C)(=O)=O)cc2)c(F)c1 ZINC000425154146 648665239 /nfs/dbraw/zinc/66/52/39/648665239.db2.gz HIYHNGZKIVHWFG-UHFFFAOYSA-N -1 1 389.445 2.296 20 0 GEADMM Cc1cnc(C(=O)NC[C@H](O)COc2ccccc2Br)c([O-])c1 ZINC000427740262 648727260 /nfs/dbraw/zinc/72/72/60/648727260.db2.gz JFQNQGIETNZNKN-NSHDSACASA-N -1 1 381.226 2.028 20 0 GEADMM CC(C)CN1C[C@@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCN2C1=O ZINC000436818029 648794703 /nfs/dbraw/zinc/79/47/03/648794703.db2.gz ZOGQUANEJUDWNF-ZDUSSCGKSA-N -1 1 396.285 2.373 20 0 GEADMM COC(=O)[C@H]1CCN(C(=O)c2cc(I)ccc2[O-])[C@H]1C ZINC000436856862 648797505 /nfs/dbraw/zinc/79/75/05/648797505.db2.gz VIZKCEKGYWOEOP-WPRPVWTQSA-N -1 1 389.189 2.020 20 0 GEADMM O=C(NCc1cc(Br)c2c(c1)OCCO2)C(=O)c1ccc([O-])cc1 ZINC000436943341 648798987 /nfs/dbraw/zinc/79/89/87/648798987.db2.gz LRHSCIIZQXWLKA-UHFFFAOYSA-N -1 1 392.205 2.425 20 0 GEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442623781 648847234 /nfs/dbraw/zinc/84/72/34/648847234.db2.gz QQFWKYSLBKSZQA-UHFFFAOYSA-N -1 1 398.282 2.415 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)c1cccc(Cl)c1 ZINC000443035245 648856109 /nfs/dbraw/zinc/85/61/09/648856109.db2.gz TVZISCYWCNVPSN-UHFFFAOYSA-N -1 1 385.873 2.496 20 0 GEADMM COc1cc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc(Cl)c1[O-] ZINC000443207258 648867842 /nfs/dbraw/zinc/86/78/42/648867842.db2.gz HXZBOWBCMHRRNV-UHFFFAOYSA-N -1 1 381.837 2.484 20 0 GEADMM O=C(c1cccc(I)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000549713033 651099266 /nfs/dbraw/zinc/09/92/66/651099266.db2.gz KJFMPNNALFTSHT-UHFFFAOYSA-N -1 1 399.188 2.400 20 0 GEADMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)c(=O)n(C)c1 ZINC000551386422 651123278 /nfs/dbraw/zinc/12/32/78/651123278.db2.gz MWEPECMEJIVJBV-UHFFFAOYSA-N -1 1 391.232 2.280 20 0 GEADMM COc1cc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc(Cl)c1[O-] ZINC000552914128 651160869 /nfs/dbraw/zinc/16/08/69/651160869.db2.gz VDAUPUAXBKPCCV-SECBINFHSA-N -1 1 384.841 2.193 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)sc1C ZINC000555221727 651220826 /nfs/dbraw/zinc/22/08/26/651220826.db2.gz PULZYIKOFUWKHF-WFASDCNBSA-N -1 1 379.507 2.228 20 0 GEADMM COCn1nc(C)c(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1C ZINC000555413219 651224747 /nfs/dbraw/zinc/22/47/47/651224747.db2.gz JHKWDIHCAGHWJV-SNVBAGLBSA-N -1 1 384.405 2.142 20 0 GEADMM CN(C)c1n[nH]c(C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n1 ZINC000555544360 651228446 /nfs/dbraw/zinc/22/84/46/651228446.db2.gz LRKBBELVSOXQSM-UHFFFAOYSA-N -1 1 394.273 2.359 20 0 GEADMM C[C@H](CN(C)C(=O)C1(c2cc(F)cc(Br)c2)CC1)c1nn[n-]n1 ZINC000556982472 651259207 /nfs/dbraw/zinc/25/92/07/651259207.db2.gz BNBUZRNWAFAESB-SECBINFHSA-N -1 1 382.237 2.395 20 0 GEADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000603324087 651480929 /nfs/dbraw/zinc/48/09/29/651480929.db2.gz QISBUVXDZHMMFM-CAOSSQGBSA-N -1 1 387.885 2.054 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC2CC2)C2CCC2)c(F)c1 ZINC000562314745 651491681 /nfs/dbraw/zinc/49/16/81/651491681.db2.gz GLRIKLIZVAYWCB-UHFFFAOYSA-N -1 1 376.475 2.150 20 0 GEADMM O=C(NC1(CCO)CCOCC1)c1c([O-])cnc2c(Br)cccc21 ZINC000644055485 651518430 /nfs/dbraw/zinc/51/84/30/651518430.db2.gz RYZRPRKRWJLHQD-UHFFFAOYSA-N -1 1 395.253 2.364 20 0 GEADMM C[C@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC(=O)N1C ZINC000563305725 651523799 /nfs/dbraw/zinc/52/37/99/651523799.db2.gz OPQWUCXSNCTBPW-VIFPVBQESA-N -1 1 378.226 2.006 20 0 GEADMM CS(=O)(=O)CC1(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000564738746 651578208 /nfs/dbraw/zinc/57/82/08/651578208.db2.gz NSFQPBHBJPKAEB-UHFFFAOYSA-N -1 1 379.400 2.417 20 0 GEADMM CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645459950 651607093 /nfs/dbraw/zinc/60/70/93/651607093.db2.gz NPDAYXNLOKHORK-UHFFFAOYSA-N -1 1 379.404 2.026 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCN(CC(F)(F)F)C1)c1ncccc1C(F)(F)F ZINC000645511327 651614190 /nfs/dbraw/zinc/61/41/90/651614190.db2.gz DTBOHDMCODJPQB-VIFPVBQESA-N -1 1 391.337 2.263 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1NC(C)=O ZINC000609494626 651620578 /nfs/dbraw/zinc/62/05/78/651620578.db2.gz LCHBZEKTZFNWRA-XMMPIXPASA-N -1 1 382.463 2.192 20 0 GEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1Cl ZINC000609819211 651632658 /nfs/dbraw/zinc/63/26/58/651632658.db2.gz BWDJSXSZSOGKAO-UHFFFAOYSA-N -1 1 380.809 2.422 20 0 GEADMM Cc1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1I ZINC000609836896 651633452 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376.360 2.010 20 0 GEADMM COc1cc(Br)ccc1C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912859976 654771599 /nfs/dbraw/zinc/77/15/99/654771599.db2.gz GARVIAXQHDLBKP-JTQLQIEISA-N -1 1 386.275 2.195 20 0 GEADMM CSCC[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nn[n-]n1 ZINC000912862361 654771806 /nfs/dbraw/zinc/77/18/06/654771806.db2.gz NQNVKLXLJLOOIF-YPMHNXCESA-N -1 1 380.905 2.290 20 0 GEADMM CSCC[C@H](NC(=O)c1nc(Br)sc1Cl)c1nn[n-]n1 ZINC000912862738 654771840 /nfs/dbraw/zinc/77/18/40/654771840.db2.gz ARLJUSRMIRJKAW-BYPYZUCNSA-N -1 1 397.711 2.296 20 0 GEADMM CSCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)c1nn[n-]n1 ZINC000912862883 654772159 /nfs/dbraw/zinc/77/21/59/654772159.db2.gz YHPNSPQLYKCGFH-LBPRGKRZSA-N -1 1 384.303 2.424 20 0 GEADMM CSCC[C@H](NC(=O)Cc1ccc(C)cc1Br)c1nn[n-]n1 ZINC000912863117 654772166 /nfs/dbraw/zinc/77/21/66/654772166.db2.gz LRLPOLDQZYDKCM-LBPRGKRZSA-N -1 1 384.303 2.424 20 0 GEADMM O=C(CCCOc1cccc(Cl)c1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494560 654795827 /nfs/dbraw/zinc/79/58/27/654795827.db2.gz FJZWAHNSKQCXIW-NSHDSACASA-N -1 1 386.239 2.266 20 0 GEADMM CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494347 654795833 /nfs/dbraw/zinc/79/58/33/654795833.db2.gz DWGUWUORFZDITR-JSGCOSHPSA-N -1 1 394.273 2.131 20 0 GEADMM Cc1cc2c(o1)c(C(=O)N1CCOC[C@@H]1c1nn[n-]n1)ccc2Br ZINC000913496805 654796080 /nfs/dbraw/zinc/79/60/80/654796080.db2.gz DJZUGRAYHAQALP-GFCCVEGCSA-N -1 1 392.213 2.231 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)c1F ZINC000913903776 654815093 /nfs/dbraw/zinc/81/50/93/654815093.db2.gz SCFLQIOVRPGDAI-PSASIEDQSA-N -1 1 382.251 2.443 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(C)no2)c1F ZINC000913972420 654819537 /nfs/dbraw/zinc/81/95/37/654819537.db2.gz QYZYOCXYZGYLGD-UHFFFAOYSA-N -1 1 379.207 2.372 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2nc(C)no2)c1F ZINC000914030008 654822483 /nfs/dbraw/zinc/82/24/83/654822483.db2.gz KXEZYTHVNAPTJG-ZCFIWIBFSA-N -1 1 394.222 2.328 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(C)n[nH]2)c1F ZINC000914133389 654828823 /nfs/dbraw/zinc/82/88/23/654828823.db2.gz PZIUPBBMGIPDFJ-UHFFFAOYSA-N -1 1 378.223 2.107 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cc(C)[nH]n2)c1F ZINC000914133389 654828825 /nfs/dbraw/zinc/82/88/25/654828825.db2.gz PZIUPBBMGIPDFJ-UHFFFAOYSA-N -1 1 378.223 2.107 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](O)CC(C)C)c1F ZINC000914150162 654829954 /nfs/dbraw/zinc/82/99/54/654829954.db2.gz LWAFJROIFMNFAS-SECBINFHSA-N -1 1 384.267 2.282 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CO)CC2CC2)c1F ZINC000914290405 654842471 /nfs/dbraw/zinc/84/24/71/654842471.db2.gz ONNOBIUKJOBRSQ-VIFPVBQESA-N -1 1 382.251 2.036 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cnn(C)c2C)c1F ZINC000914300219 654843145 /nfs/dbraw/zinc/84/31/45/654843145.db2.gz ODMTYRLOQJKNHO-UHFFFAOYSA-N -1 1 392.250 2.117 20 0 GEADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000914306007 654843919 /nfs/dbraw/zinc/84/39/19/654843919.db2.gz WOFOSUUHUNAELJ-SNVBAGLBSA-N -1 1 376.406 2.285 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1CCCOCC1 ZINC000914333056 654846122 /nfs/dbraw/zinc/84/61/22/654846122.db2.gz PHRRRVJBGORVBK-QVQLBTGDSA-N -1 1 386.417 2.437 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(OC)CCC2)c1F ZINC000914344519 654847091 /nfs/dbraw/zinc/84/70/91/654847091.db2.gz JSWQACDQZVNOTN-UHFFFAOYSA-N -1 1 382.251 2.444 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)c1F ZINC000914358246 654848125 /nfs/dbraw/zinc/84/81/25/654848125.db2.gz FJNAQOQZANANDL-OQPBUACISA-N -1 1 382.251 2.443 20 0 GEADMM CC(F)(F)CCCS(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000915741414 654878311 /nfs/dbraw/zinc/87/83/11/654878311.db2.gz FHJABHHUJLVTFM-SNVBAGLBSA-N -1 1 380.379 2.142 20 0 GEADMM CC1(C)C[C@@](C)([N-]S(=O)(=O)Cc2cccc(F)c2Br)C(=O)O1 ZINC000915919673 654882497 /nfs/dbraw/zinc/88/24/97/654882497.db2.gz ANYSCVOOJXYIFU-CQSZACIVSA-N -1 1 394.262 2.492 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)CCCCO)c1F ZINC000916037795 654885589 /nfs/dbraw/zinc/88/55/89/654885589.db2.gz JFDLUAOHFDIKAM-SECBINFHSA-N -1 1 384.267 2.426 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC)c1F ZINC000916104036 654888281 /nfs/dbraw/zinc/88/82/81/654888281.db2.gz RDJGJIGLMYOKAO-NXEZZACHSA-N -1 1 382.251 2.443 20 0 GEADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000023389877 531598346 /nfs/dbraw/zinc/59/83/46/531598346.db2.gz HQNUEIQXAGHNKE-UHFFFAOYSA-N -1 1 381.262 2.442 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)co1 ZINC000154047226 531619707 /nfs/dbraw/zinc/61/97/07/531619707.db2.gz DWQXVWFDAULWRZ-ZDUSSCGKSA-N -1 1 380.491 2.442 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)o1 ZINC000027076636 531623703 /nfs/dbraw/zinc/62/37/03/531623703.db2.gz PQRBYBLNYRBWBA-UHFFFAOYSA-N -1 1 378.328 2.381 20 0 GEADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000028256601 531631478 /nfs/dbraw/zinc/63/14/78/531631478.db2.gz QZYIFNITEHQRET-UHFFFAOYSA-N -1 1 385.239 2.114 20 0 GEADMM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000032097854 531649796 /nfs/dbraw/zinc/64/97/96/531649796.db2.gz FFLKUYGNQUNGLR-UHFFFAOYSA-N -1 1 384.410 2.359 20 0 GEADMM COc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1OCC(N)=O ZINC000044641411 531685018 /nfs/dbraw/zinc/68/50/18/531685018.db2.gz RLXFEXPTTNNZLK-UHFFFAOYSA-N -1 1 395.209 2.280 20 0 GEADMM O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155566995 531690751 /nfs/dbraw/zinc/69/07/51/531690751.db2.gz IYGDCLFDPJDXJM-FPMFFAJLSA-N -1 1 376.258 2.472 20 0 GEADMM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000157761433 531753913 /nfs/dbraw/zinc/75/39/13/531753913.db2.gz PGMWIRAOHKOJFR-UHFFFAOYSA-N -1 1 398.359 2.293 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1OCC(N)=O ZINC000055606210 531795501 /nfs/dbraw/zinc/79/55/01/531795501.db2.gz KGSVGNIGWKGGRB-UHFFFAOYSA-N -1 1 384.841 2.322 20 0 GEADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000064476232 531866708 /nfs/dbraw/zinc/86/67/08/531866708.db2.gz IWOHEQQWWZDGHB-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM COc1cc(Br)cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000168856027 531881746 /nfs/dbraw/zinc/88/17/46/531881746.db2.gz JVJQRWCOIOEWQN-UHFFFAOYSA-N -1 1 375.200 2.285 20 0 GEADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000068209189 531902052 /nfs/dbraw/zinc/90/20/52/531902052.db2.gz RDZREGDAPJKGAQ-UHFFFAOYSA-N -1 1 380.373 2.489 20 0 GEADMM O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000171309906 531904721 /nfs/dbraw/zinc/90/47/21/531904721.db2.gz CVCMEEAEQDTGCE-UHFFFAOYSA-N -1 1 390.237 2.148 20 0 GEADMM CC(C)n1cnnc1CNC(=O)c1cc(I)ccc1[O-] ZINC000171853315 531920464 /nfs/dbraw/zinc/92/04/64/531920464.db2.gz ULBCKJFRLRIROQ-UHFFFAOYSA-N -1 1 386.193 2.099 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)ccc1Br ZINC000097543553 531937927 /nfs/dbraw/zinc/93/79/27/531937927.db2.gz ZKFUQDFARBFNMD-UHFFFAOYSA-N -1 1 399.266 2.489 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCN1CC(F)(F)F ZINC000112092451 531944087 /nfs/dbraw/zinc/94/40/87/531944087.db2.gz NUUORZYPWDQRMM-VIFPVBQESA-N -1 1 391.198 2.435 20 0 GEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1 ZINC000116712397 531960874 /nfs/dbraw/zinc/96/08/74/531960874.db2.gz RXAUDHIETIDVRC-XMMPIXPASA-N -1 1 380.491 2.034 20 0 GEADMM COc1ccc(OCCS(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1 ZINC000172895147 531972942 /nfs/dbraw/zinc/97/29/42/531972942.db2.gz CJWTZNGKUYGIDO-UHFFFAOYSA-N -1 1 379.360 2.275 20 0 GEADMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000174262432 532058475 /nfs/dbraw/zinc/05/84/75/532058475.db2.gz XLHISURMDYTPRE-XMMPIXPASA-N -1 1 378.475 2.352 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c(F)c2)o1 ZINC000174358231 532061624 /nfs/dbraw/zinc/06/16/24/532061624.db2.gz YRYIOJOXQPIQMA-UHFFFAOYSA-N -1 1 377.191 2.342 20 0 GEADMM Cc1cc(SCC(=O)NCCCc2nc(=O)[n-][nH]2)c(C)cc1Br ZINC000174581203 532071518 /nfs/dbraw/zinc/07/15/18/532071518.db2.gz RFERIGUOVMWUKE-UHFFFAOYSA-N -1 1 399.314 2.318 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCN1C1CCCCC1 ZINC000123047670 532090594 /nfs/dbraw/zinc/09/05/94/532090594.db2.gz DGKLLZBLAKRCGH-LBPRGKRZSA-N -1 1 376.400 2.316 20 0 GEADMM Cc1nn(C)c(C)c1CNC(=O)c1cc(I)ccc1[O-] ZINC000175293353 532097026 /nfs/dbraw/zinc/09/70/26/532097026.db2.gz ZHCSYFMBOSEBOA-UHFFFAOYSA-N -1 1 385.205 2.277 20 0 GEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000124005338 532112475 /nfs/dbraw/zinc/11/24/75/532112475.db2.gz HZQYIBNGBSVOBX-UHFFFAOYSA-N -1 1 376.360 2.459 20 0 GEADMM CC(C)Oc1cc(Br)cc(C(=O)NCCCc2nc(=O)[n-][nH]2)c1 ZINC000176261918 532132155 /nfs/dbraw/zinc/13/21/55/532132155.db2.gz XQQSTAWAVMXBAM-UHFFFAOYSA-N -1 1 383.246 2.010 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125356422 532135306 /nfs/dbraw/zinc/13/53/06/532135306.db2.gz YLOSWOCUKOJJKU-HNNXBMFYSA-N -1 1 375.222 2.468 20 0 GEADMM C[C@@H](NC(=O)c1cnn[nH]1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696615 532140367 /nfs/dbraw/zinc/14/03/67/532140367.db2.gz RXHRKDSBXJOFRA-SNVBAGLBSA-N -1 1 377.451 2.158 20 0 GEADMM O=S(=O)([N-]CC1(CO)CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000129405750 532177082 /nfs/dbraw/zinc/17/70/82/532177082.db2.gz HMLHLTIPHCUFRE-UHFFFAOYSA-N -1 1 387.807 2.426 20 0 GEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000130697910 532193468 /nfs/dbraw/zinc/19/34/68/532193468.db2.gz BHJDPNHQQYBDTK-QMMMGPOBSA-N -1 1 376.360 2.044 20 0 GEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000130697910 532193471 /nfs/dbraw/zinc/19/34/71/532193471.db2.gz BHJDPNHQQYBDTK-QMMMGPOBSA-N -1 1 376.360 2.044 20 0 GEADMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000133417558 532234370 /nfs/dbraw/zinc/23/43/70/532234370.db2.gz SZSKMUJUZGTCEX-MRVPVSSYSA-N -1 1 393.836 2.460 20 0 GEADMM COC[C@H](C)S(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000132763903 532220521 /nfs/dbraw/zinc/22/05/21/532220521.db2.gz LRONZLYIMFHJPW-ISVAXAHUSA-N -1 1 377.825 2.214 20 0 GEADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc(I)ccc1[O-] ZINC000179099472 532221372 /nfs/dbraw/zinc/22/13/72/532221372.db2.gz GNNWLBGUUBVOGR-CABZTGNLSA-N -1 1 375.206 2.230 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)co1 ZINC000179188815 532224482 /nfs/dbraw/zinc/22/44/82/532224482.db2.gz JVBHVHCJUFCZTG-SECBINFHSA-N -1 1 387.255 2.441 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000179193099 532224881 /nfs/dbraw/zinc/22/48/81/532224881.db2.gz SATAXIJLUNGPNE-AWEZNQCLSA-N -1 1 386.857 2.301 20 0 GEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)c1 ZINC000179227785 532225252 /nfs/dbraw/zinc/22/52/52/532225252.db2.gz ZSUOSHVTWYFSLG-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM CC(C)(C)[C@H](NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1)c1cccs1 ZINC000133786510 532242354 /nfs/dbraw/zinc/24/23/54/532242354.db2.gz AKIRZIDEUPXWSE-CYBMUJFWSA-N -1 1 382.511 2.421 20 0 GEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-n2ncn(C)c2=O)cc1 ZINC000179881163 532247767 /nfs/dbraw/zinc/24/77/67/532247767.db2.gz NEONGWHRZXFNNP-UHFFFAOYSA-N -1 1 378.841 2.334 20 0 GEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000180363498 532269812 /nfs/dbraw/zinc/26/98/12/532269812.db2.gz HSDBHLTYBXIINU-UHFFFAOYSA-N -1 1 375.673 2.449 20 0 GEADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000134349858 532254815 /nfs/dbraw/zinc/25/48/15/532254815.db2.gz HDJCHBAJWROHPS-XHDPSFHLSA-N -1 1 394.269 2.474 20 0 GEADMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180258088 532263672 /nfs/dbraw/zinc/26/36/72/532263672.db2.gz ZJCQQXKIDOEJRL-UHFFFAOYSA-N -1 1 377.319 2.314 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1Cl ZINC000180737511 532279393 /nfs/dbraw/zinc/27/93/93/532279393.db2.gz UMEFXFGGEUNGDE-RYUDHWBXSA-N -1 1 377.800 2.160 20 0 GEADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(Br)c(F)c1 ZINC000135809711 532279915 /nfs/dbraw/zinc/27/99/15/532279915.db2.gz XTEZYZVVLQWGRO-UHFFFAOYSA-N -1 1 398.217 2.365 20 0 GEADMM CC[C@]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)(C(N)=O)C(C)C ZINC000181530265 532300617 /nfs/dbraw/zinc/30/06/17/532300617.db2.gz JVLLSHAGFXPSGM-CYBMUJFWSA-N -1 1 399.257 2.296 20 0 GEADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)N1CCOCC1 ZINC000151058308 532306738 /nfs/dbraw/zinc/30/67/38/532306738.db2.gz YRCIZDZKTKIGKC-JTQLQIEISA-N -1 1 386.823 2.358 20 0 GEADMM C[C@H](CN(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nn[n-]n1 ZINC000183431460 532325288 /nfs/dbraw/zinc/32/52/88/532325288.db2.gz ZIRMEWLEFHBUJW-SNVBAGLBSA-N -1 1 390.245 2.024 20 0 GEADMM CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000185052760 532336686 /nfs/dbraw/zinc/33/66/86/532336686.db2.gz MLGLMGUSRRISMN-UHFFFAOYSA-N -1 1 386.470 2.338 20 0 GEADMM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188135288 532346861 /nfs/dbraw/zinc/34/68/61/532346861.db2.gz PSNYIPQVPFKCNP-ZETCQYMHSA-N -1 1 378.274 2.234 20 0 GEADMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1 ZINC000188339825 532347778 /nfs/dbraw/zinc/34/77/78/532347778.db2.gz ZPTVAKFRPFWXPE-UHFFFAOYSA-N -1 1 399.266 2.422 20 0 GEADMM Cc1noc(CC[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000190668272 532357350 /nfs/dbraw/zinc/35/73/50/532357350.db2.gz LPUGUPLRZFJXBI-UHFFFAOYSA-N -1 1 398.641 2.454 20 0 GEADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2snnc2C(C)(C)C)c1 ZINC000191428246 532360882 /nfs/dbraw/zinc/36/08/82/532360882.db2.gz HDELJVRZONXAAE-UHFFFAOYSA-N -1 1 386.474 2.477 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000187695483 532345178 /nfs/dbraw/zinc/34/51/78/532345178.db2.gz KWFLBWQYBCTACE-LLVKDONJSA-N -1 1 376.356 2.264 20 0 GEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000590496760 532374118 /nfs/dbraw/zinc/37/41/18/532374118.db2.gz XSAMLGCJCDBHEZ-UHFFFAOYSA-N -1 1 394.762 2.422 20 0 GEADMM Cc1cc(COc2ccc(C(=O)Nc3nnn[n-]3)cc2Br)on1 ZINC000590500988 532374776 /nfs/dbraw/zinc/37/47/76/532374776.db2.gz VOZSPGDPWJHXDL-UHFFFAOYSA-N -1 1 379.174 2.090 20 0 GEADMM Cc1cc(COc2ccc(C(=O)Nc3nn[n-]n3)cc2Br)on1 ZINC000590500988 532374780 /nfs/dbraw/zinc/37/47/80/532374780.db2.gz VOZSPGDPWJHXDL-UHFFFAOYSA-N -1 1 379.174 2.090 20 0 GEADMM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000425223181 532376941 /nfs/dbraw/zinc/37/69/41/532376941.db2.gz BPHLTUKDQIFHHP-UHFFFAOYSA-N -1 1 376.793 2.467 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)c(F)c1 ZINC000677519077 532377476 /nfs/dbraw/zinc/37/74/76/532377476.db2.gz UJLGLPQVSMONHZ-UHFFFAOYSA-N -1 1 376.425 2.076 20 0 GEADMM O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1ccc([O-])c(F)c1 ZINC000647011016 532363149 /nfs/dbraw/zinc/36/31/49/532363149.db2.gz DZEVNCFQDTYDMO-CYBMUJFWSA-N -1 1 379.185 2.439 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1cccc(S(=O)(=O)NC(C)(C)C)c1)C(C)C ZINC000647123059 532367075 /nfs/dbraw/zinc/36/70/75/532367075.db2.gz QKLXKPBYIKENOU-HNNXBMFYSA-N -1 1 392.543 2.176 20 0 GEADMM CC[C@@H](C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647128777 532368858 /nfs/dbraw/zinc/36/88/58/532368858.db2.gz OIVTUDNUJWTKJD-CJNGLKHVSA-N -1 1 392.543 2.176 20 0 GEADMM CSc1nnc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)s1 ZINC000278014857 532370162 /nfs/dbraw/zinc/37/01/62/532370162.db2.gz QXCVLWZYPLVJKV-ZCFIWIBFSA-N -1 1 389.509 2.411 20 0 GEADMM Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)[N-]CC(F)(F)F)C3)[nH]c2c1 ZINC000192027857 532378858 /nfs/dbraw/zinc/37/88/58/532378858.db2.gz WKNHSJCYPBFXGK-LLVKDONJSA-N -1 1 376.404 2.447 20 0 GEADMM O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000372268942 532380001 /nfs/dbraw/zinc/38/00/01/532380001.db2.gz UWNVAOMLZZVVCB-ZWNOBZJWSA-N -1 1 375.393 2.046 20 0 GEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000558117192 532385089 /nfs/dbraw/zinc/38/50/89/532385089.db2.gz TUOKDDJFLFNTAF-GFCCVEGCSA-N -1 1 375.841 2.078 20 0 GEADMM O=C(NC[C@]1(CCO)CCOC1)c1c([O-])cnc2c(Br)cccc21 ZINC000558546158 532394408 /nfs/dbraw/zinc/39/44/08/532394408.db2.gz ISJWZOVNHYQDLZ-KRWDZBQOSA-N -1 1 395.253 2.222 20 0 GEADMM Cc1c(NS(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)cnn1C ZINC000464839211 532406829 /nfs/dbraw/zinc/40/68/29/532406829.db2.gz PEQKFOUVPWTVSJ-UHFFFAOYSA-N -1 1 388.243 2.298 20 0 GEADMM Cc1nc(Cn2cc(C(=O)Nc3cc(C)cc(Br)c3[O-])nn2)no1 ZINC000427095290 532411049 /nfs/dbraw/zinc/41/10/49/532411049.db2.gz UDKQIVICSZATEO-UHFFFAOYSA-N -1 1 393.201 2.047 20 0 GEADMM Cc1cnc([C@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000427275212 532418713 /nfs/dbraw/zinc/41/87/13/532418713.db2.gz RUBPKUMGTFWADS-VIFPVBQESA-N -1 1 393.487 2.002 20 0 GEADMM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000591816898 532425120 /nfs/dbraw/zinc/42/51/20/532425120.db2.gz HXGPMBKGBMZABA-UHFFFAOYSA-N -1 1 378.416 2.419 20 0 GEADMM C[C@H](CN(C)C(=O)c1ccc(Br)c2c1OCCC2)c1nn[n-]n1 ZINC000518106297 532436081 /nfs/dbraw/zinc/43/60/81/532436081.db2.gz DZJYQSIUTOEIQL-SECBINFHSA-N -1 1 380.246 2.163 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O)c1ccccc1 ZINC000295322316 532433491 /nfs/dbraw/zinc/43/34/91/532433491.db2.gz OHJRREDIKWSWGV-MRXNPFEDSA-N -1 1 384.479 2.188 20 0 GEADMM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000592037720 532434591 /nfs/dbraw/zinc/43/45/91/532434591.db2.gz MFWBGADSTKFTIU-HFXCSBFXSA-N -1 1 384.445 2.459 20 0 GEADMM O=C(CCSc1ccccn1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281845836 532438594 /nfs/dbraw/zinc/43/85/94/532438594.db2.gz XRVCQPSYIZUJEH-UHFFFAOYSA-N -1 1 375.416 2.481 20 0 GEADMM CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2Br)cn1 ZINC000518852267 532448792 /nfs/dbraw/zinc/44/87/92/532448792.db2.gz NPZXSNBVDOBYNV-UHFFFAOYSA-N -1 1 388.243 2.253 20 0 GEADMM CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000650685572 532451194 /nfs/dbraw/zinc/45/11/94/532451194.db2.gz OAGUZIATSVEHEW-UHFFFAOYSA-N -1 1 382.507 2.128 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1C(N)=O ZINC000518995447 532452740 /nfs/dbraw/zinc/45/27/40/532452740.db2.gz FTDXXNSFRPLYRX-UHFFFAOYSA-N -1 1 383.857 2.314 20 0 GEADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000194598238 532454582 /nfs/dbraw/zinc/45/45/82/532454582.db2.gz WURFTMVQVJKNNY-UHFFFAOYSA-N -1 1 378.834 2.188 20 0 GEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000467754647 532454804 /nfs/dbraw/zinc/45/48/04/532454804.db2.gz PEPPLVFKBMJXAH-UHFFFAOYSA-N -1 1 385.781 2.331 20 0 GEADMM COCC[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)C(=O)OC ZINC000428501814 532455258 /nfs/dbraw/zinc/45/52/58/532455258.db2.gz XXJMDZXHCCQNFZ-LLVKDONJSA-N -1 1 397.225 2.011 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc(C(F)(F)F)c1 ZINC000683071916 532455745 /nfs/dbraw/zinc/45/57/45/532455745.db2.gz PXKZIEVYFHPRAR-UHFFFAOYSA-N -1 1 394.396 2.462 20 0 GEADMM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)C2)cn1 ZINC000373706975 532463980 /nfs/dbraw/zinc/46/39/80/532463980.db2.gz IJDQKTCPOOSIFB-VIFPVBQESA-N -1 1 393.271 2.423 20 0 GEADMM CN(C)c1nc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)ns1 ZINC000195112985 532469468 /nfs/dbraw/zinc/46/94/68/532469468.db2.gz AAYACBFHPFFQAB-UHFFFAOYSA-N -1 1 384.874 2.017 20 0 GEADMM CN(C)c1nc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)ns1 ZINC000195112985 532469473 /nfs/dbraw/zinc/46/94/73/532469473.db2.gz AAYACBFHPFFQAB-UHFFFAOYSA-N -1 1 384.874 2.017 20 0 GEADMM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(C)(C)CO ZINC000295728002 532472591 /nfs/dbraw/zinc/47/25/91/532472591.db2.gz MJWCHVSZGHIURO-NSHDSACASA-N -1 1 393.296 2.160 20 0 GEADMM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(C)(C)CO ZINC000295733162 532472943 /nfs/dbraw/zinc/47/29/43/532472943.db2.gz MVGXNHVLJRWJQF-ZDUSSCGKSA-N -1 1 393.843 2.390 20 0 GEADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000520353844 532490216 /nfs/dbraw/zinc/49/02/16/532490216.db2.gz MPPHPLSEPURQCL-UHFFFAOYSA-N -1 1 384.479 2.060 20 0 GEADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000295960710 532490285 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HNUATRNNWRTUKR-ZCFIWIBFSA-N -1 1 380.702 2.358 20 0 GEADMM COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000285476093 532683600 /nfs/dbraw/zinc/68/36/00/532683600.db2.gz VLFHOJOIHZWZLO-LURJTMIESA-N -1 1 393.238 2.063 20 0 GEADMM O=C([O-])C1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CCCC1 ZINC000534782650 532672764 /nfs/dbraw/zinc/67/27/64/532672764.db2.gz AOAMIIOZDJFERE-UHFFFAOYSA-N -1 1 384.198 2.403 20 0 GEADMM Cc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n[nH]1 ZINC000285343941 532673105 /nfs/dbraw/zinc/67/31/05/532673105.db2.gz GXSBNBAXJRXCRV-YFKPBYRVSA-N -1 1 379.225 2.158 20 0 GEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cnc(-c3cccnc3)s2)s1 ZINC000534887726 532674196 /nfs/dbraw/zinc/67/41/96/532674196.db2.gz GZZLQCAFXTUXQA-UHFFFAOYSA-N -1 1 375.435 2.415 20 0 GEADMM Cc1cc(CNC(=O)c2ccc(I)c([O-])c2)nc(C)n1 ZINC000568307392 532675103 /nfs/dbraw/zinc/67/51/03/532675103.db2.gz KZMILODDGMRETE-UHFFFAOYSA-N -1 1 383.189 2.334 20 0 GEADMM COc1cccnc1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000568452065 532676170 /nfs/dbraw/zinc/67/61/70/532676170.db2.gz HVWSZEVGHAGJHU-UHFFFAOYSA-N -1 1 390.248 2.314 20 0 GEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1O ZINC000298834874 532678687 /nfs/dbraw/zinc/67/86/87/532678687.db2.gz BSMVNLDXXSUUMV-UHFFFAOYSA-N -1 1 384.479 2.060 20 0 GEADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCOCC1 ZINC000484494190 532680036 /nfs/dbraw/zinc/68/00/36/532680036.db2.gz YIARZDDLZNPNPV-UHFFFAOYSA-N -1 1 385.360 2.018 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C3CCC2CC3)c(OC)c1 ZINC000536391498 532691544 /nfs/dbraw/zinc/69/15/44/532691544.db2.gz RAVCJMHEWODPQT-UHFFFAOYSA-N -1 1 388.511 2.162 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)CC)c(OC)c1 ZINC000536389806 532692173 /nfs/dbraw/zinc/69/21/73/532692173.db2.gz FLKSUHACTJWPHS-UHFFFAOYSA-N -1 1 378.516 2.314 20 0 GEADMM Cc1cnc(N)c(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000536903544 532699136 /nfs/dbraw/zinc/69/91/36/532699136.db2.gz DBURGYPNIXPZCO-UHFFFAOYSA-N -1 1 386.227 2.234 20 0 GEADMM O=S(=O)([N-]CC(F)(F)F)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC000439298811 532688290 /nfs/dbraw/zinc/68/82/90/532688290.db2.gz VWAYCKGCVBOMAS-DAXSKMNVSA-N -1 1 377.432 2.151 20 0 GEADMM CCc1nc(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)[n-]c(=O)c1C ZINC000569140134 532689330 /nfs/dbraw/zinc/68/93/30/532689330.db2.gz DAFQSPVLFKNHAN-UHFFFAOYSA-N -1 1 381.479 2.187 20 0 GEADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1nc2c(s1)CCC2 ZINC000569693798 532704292 /nfs/dbraw/zinc/70/42/92/532704292.db2.gz OKMGOEDUIJMYJO-UHFFFAOYSA-N -1 1 379.463 2.030 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC1(O)CCCCC1 ZINC000572654609 532708359 /nfs/dbraw/zinc/70/83/59/532708359.db2.gz JKPKZFDFKVMWLB-UHFFFAOYSA-N -1 1 395.308 2.083 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC(=O)N(CC2CC2)C1 ZINC000573258833 532710661 /nfs/dbraw/zinc/71/06/61/532710661.db2.gz UTAMXZBVKWDHCH-UHFFFAOYSA-N -1 1 390.237 2.355 20 0 GEADMM Cc1ncc(NS(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)cn1 ZINC000395140327 532711522 /nfs/dbraw/zinc/71/15/22/532711522.db2.gz CBZPUXJVKWNJRO-UHFFFAOYSA-N -1 1 386.227 2.355 20 0 GEADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1 ZINC000299348470 532712934 /nfs/dbraw/zinc/71/29/34/532712934.db2.gz PEWPTWIJEOXOGI-UHFFFAOYSA-N -1 1 382.507 2.474 20 0 GEADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C2CC2)n1 ZINC000645568381 532717728 /nfs/dbraw/zinc/71/77/28/532717728.db2.gz ZSVOGSALZPIYKN-ZDUSSCGKSA-N -1 1 383.495 2.484 20 0 GEADMM Cc1ccsc1[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000538881461 532721977 /nfs/dbraw/zinc/72/19/77/532721977.db2.gz MTABRDVVMHCSEF-NSHDSACASA-N -1 1 386.495 2.190 20 0 GEADMM COc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)c1 ZINC000442316203 532730452 /nfs/dbraw/zinc/73/04/52/532730452.db2.gz OIBOSEDQSFPGKT-UHFFFAOYSA-N -1 1 385.239 2.357 20 0 GEADMM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000442779768 532734568 /nfs/dbraw/zinc/73/45/68/532734568.db2.gz DYIGBKKIGPDQJE-NWDGAFQWSA-N -1 1 378.491 2.444 20 0 GEADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410401806 532739526 /nfs/dbraw/zinc/73/95/26/532739526.db2.gz XLRBXJNQVHVMQW-UHFFFAOYSA-N -1 1 386.788 2.165 20 0 GEADMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Br)cn2)s1 ZINC000268173453 532756829 /nfs/dbraw/zinc/75/68/29/532756829.db2.gz JTDVRZATCMPJCM-UHFFFAOYSA-N -1 1 391.316 2.472 20 0 GEADMM C[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@]1(C)C(=O)[O-] ZINC000581889941 532757906 /nfs/dbraw/zinc/75/79/06/532757906.db2.gz SEAVXJYSUTXBNJ-ABAIWWIYSA-N -1 1 390.299 2.265 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@H]2C)c(F)c1 ZINC000451220113 532761994 /nfs/dbraw/zinc/76/19/94/532761994.db2.gz QRNLXTKQCWXWFM-LLVKDONJSA-N -1 1 396.531 2.103 20 0 GEADMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1=O ZINC000286921375 532774956 /nfs/dbraw/zinc/77/49/56/532774956.db2.gz PDTWDRQDLQPKLG-SNVBAGLBSA-N -1 1 384.351 2.012 20 0 GEADMM Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)s1 ZINC000542702346 532777344 /nfs/dbraw/zinc/77/73/44/532777344.db2.gz XTJZXJKHJXTHCY-SSDOTTSWSA-N -1 1 382.223 2.411 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c(Br)n1C ZINC000287002094 532778000 /nfs/dbraw/zinc/77/80/00/532778000.db2.gz UDCVIIBFRWQCNI-NWDGAFQWSA-N -1 1 388.262 2.465 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2F)c(F)c1 ZINC000451593442 532765861 /nfs/dbraw/zinc/76/58/61/532765861.db2.gz PXSBLPWFVGKZOU-WCQYABFASA-N -1 1 382.454 2.146 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cn1 ZINC000509384708 532767627 /nfs/dbraw/zinc/76/76/27/532767627.db2.gz GNPNGNPETDJNSP-UHFFFAOYSA-N -1 1 376.312 2.410 20 0 GEADMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509430610 532769945 /nfs/dbraw/zinc/76/99/45/532769945.db2.gz LFVXXALXKLKCIJ-UFBFGSQYSA-N -1 1 384.281 2.465 20 0 GEADMM COc1ccc(C[C@@H](CO)CNC(=O)c2cncc([O-])c2)cc1Br ZINC000456492882 532782603 /nfs/dbraw/zinc/78/26/03/532782603.db2.gz MUIDHYJPTCERKM-GFCCVEGCSA-N -1 1 395.253 2.139 20 0 GEADMM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)c1ccc(Br)o1 ZINC000544720981 532782677 /nfs/dbraw/zinc/78/26/77/532782677.db2.gz XKMGSPHMNOETDH-SECBINFHSA-N -1 1 382.182 2.332 20 0 GEADMM C[S@](=O)Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000545749181 532784170 /nfs/dbraw/zinc/78/41/70/532784170.db2.gz QUBBZVLZKCOFES-DEOSSOPVSA-N -1 1 377.447 2.416 20 0 GEADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000546795987 532786047 /nfs/dbraw/zinc/78/60/47/532786047.db2.gz HPTHHQATJUHHJI-ZDUSSCGKSA-N -1 1 388.225 2.157 20 0 GEADMM O=S(=O)([N-]C[C@H](O)C1CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000269713994 532787233 /nfs/dbraw/zinc/78/72/33/532787233.db2.gz AJOGJBOOSPIEIG-LBPRGKRZSA-N -1 1 387.807 2.425 20 0 GEADMM O=C([O-])[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000547612355 532787824 /nfs/dbraw/zinc/78/78/24/532787824.db2.gz HJAFSFAKMKBRRU-JTQLQIEISA-N -1 1 376.799 2.414 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCC[C@@H]1CCOC1 ZINC000412407046 532790841 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COC(=O)c1cc([N-]S(=O)(=O)CCOC(C)C)ccc1Br ZINC000271591200 532809928 /nfs/dbraw/zinc/80/99/28/532809928.db2.gz FTEMWFCXFOVTPV-UHFFFAOYSA-N -1 1 380.260 2.402 20 0 GEADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2ccccc2)c(OC)c1 ZINC000270469149 532798940 /nfs/dbraw/zinc/79/89/40/532798940.db2.gz FWNUNGCSPHECOG-UHFFFAOYSA-N -1 1 384.479 2.282 20 0 GEADMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000551145317 532799269 /nfs/dbraw/zinc/79/92/69/532799269.db2.gz XNSFIMQMNIPMFF-UHFFFAOYSA-N -1 1 392.786 2.466 20 0 GEADMM Cc1nnc([C@H]2CCN(C(=O)c3ccc(I)c([O-])c3)C2)[nH]1 ZINC000412790429 532801097 /nfs/dbraw/zinc/80/10/97/532801097.db2.gz YYILRAMPBWMDBI-JTQLQIEISA-N -1 1 398.204 2.053 20 0 GEADMM CS(=O)(=O)CC1(CNC(=O)c2ccc(Br)cc2[O-])CCC1 ZINC000412889856 532803234 /nfs/dbraw/zinc/80/32/34/532803234.db2.gz LYOKFMRVJGMHOU-UHFFFAOYSA-N -1 1 376.272 2.099 20 0 GEADMM COC(=O)CC1(CNC(=O)c2ccc(Br)c([O-])c2)CCOCC1 ZINC000552368561 532803704 /nfs/dbraw/zinc/80/37/04/532803704.db2.gz MFFUXJYSSUMOMZ-UHFFFAOYSA-N -1 1 386.242 2.244 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCCO2)c(Br)o1 ZINC000272096665 532813294 /nfs/dbraw/zinc/81/32/94/532813294.db2.gz WDVHIFOGROIJDZ-BDAKNGLRSA-N -1 1 396.259 2.065 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c(Br)n1C ZINC000287979041 532814068 /nfs/dbraw/zinc/81/40/68/532814068.db2.gz YPXVMFRJMUGIJV-NSHDSACASA-N -1 1 384.255 2.097 20 0 GEADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000414034165 532817792 /nfs/dbraw/zinc/81/77/92/532817792.db2.gz MFRDSNJZQJKIAQ-UWVGGRQHSA-N -1 1 375.206 2.230 20 0 GEADMM CCOC(=O)C1CCN(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)CC1 ZINC000288561617 532831509 /nfs/dbraw/zinc/83/15/09/532831509.db2.gz QFDKZVSKUQGJEQ-UHFFFAOYSA-N -1 1 384.483 2.070 20 0 GEADMM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000414652151 532833820 /nfs/dbraw/zinc/83/38/20/532833820.db2.gz GZTSASSKDCAEPN-KBPBESRZSA-N -1 1 387.249 2.388 20 0 GEADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000273816470 532835393 /nfs/dbraw/zinc/83/53/93/532835393.db2.gz UVZRGZTVTAQDNO-UHFFFAOYSA-N -1 1 394.280 2.423 20 0 GEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Br)c(C)nc2OC)n1 ZINC000415645202 532851944 /nfs/dbraw/zinc/85/19/44/532851944.db2.gz HFOICLSVBTYVDU-UHFFFAOYSA-N -1 1 383.202 2.313 20 0 GEADMM COc1ncccc1CC[N-]S(=O)(=O)c1sccc1Br ZINC000289423931 532854611 /nfs/dbraw/zinc/85/46/11/532854611.db2.gz CLFWXNCAWJIKMN-UHFFFAOYSA-N -1 1 377.285 2.435 20 0 GEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000289604886 532860292 /nfs/dbraw/zinc/86/02/92/532860292.db2.gz RUGZKZRCPQIGEF-UHFFFAOYSA-N -1 1 380.264 2.481 20 0 GEADMM O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000275043015 532862363 /nfs/dbraw/zinc/86/23/63/532862363.db2.gz RHXRXDRXKQXFBP-NKWVEPMBSA-N -1 1 382.182 2.035 20 0 GEADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000275058708 532862593 /nfs/dbraw/zinc/86/25/93/532862593.db2.gz YODKFHSKKMZVAG-GFCCVEGCSA-N -1 1 381.281 2.211 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000416185672 532866246 /nfs/dbraw/zinc/86/62/46/532866246.db2.gz WGEKRCDTZYTBGQ-QMMMGPOBSA-N -1 1 394.225 2.246 20 0 GEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000416248063 532868447 /nfs/dbraw/zinc/86/84/47/532868447.db2.gz YXSJUZOQNFOJTM-SNVBAGLBSA-N -1 1 388.207 2.057 20 0 GEADMM O=S(=O)([N-][C@H]1CCc2nnnn2CC1)c1sc2ccccc2c1Cl ZINC000333886885 532874670 /nfs/dbraw/zinc/87/46/70/532874670.db2.gz WCJLTBFERWWBJB-VIFPVBQESA-N -1 1 383.886 2.225 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ncn(C)n1 ZINC000275598498 532879387 /nfs/dbraw/zinc/87/93/87/532879387.db2.gz FPJQWYGHAOHAJR-ZCFIWIBFSA-N -1 1 397.657 2.410 20 0 GEADMM CO[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000290377891 532879436 /nfs/dbraw/zinc/87/94/36/532879436.db2.gz QNVXRORJCOUAJW-LBPRGKRZSA-N -1 1 383.297 2.059 20 0 GEADMM CC[C@H]1[C@H](C)CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349613247 532883938 /nfs/dbraw/zinc/88/39/38/532883938.db2.gz WFEVYDYODKEWFJ-CABCVRRESA-N -1 1 389.543 2.054 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c1ccc(F)c(C)c1 ZINC000420688000 532885169 /nfs/dbraw/zinc/88/51/69/532885169.db2.gz KPGWGDQLJYGNKP-ZBFHGGJFSA-N -1 1 375.462 2.329 20 0 GEADMM COc1cc(-c2noc(COCc3nncn3C)n2)cc(Br)c1[O-] ZINC000350565572 532886373 /nfs/dbraw/zinc/88/63/73/532886373.db2.gz KSQLVIFMNNXCSE-UHFFFAOYSA-N -1 1 396.201 2.059 20 0 GEADMM Cc1nc2sccn2c1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000350944934 532886634 /nfs/dbraw/zinc/88/66/34/532886634.db2.gz WRNHZMJOLUEORR-UHFFFAOYSA-N -1 1 381.464 2.294 20 0 GEADMM C[C@@H]1CCCCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349615342 532883989 /nfs/dbraw/zinc/88/39/89/532883989.db2.gz KTSMQLIMQGZZGH-OAHLLOKOSA-N -1 1 389.543 2.055 20 0 GEADMM CN(C1CC(C)(C)C1)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349612195 532884257 /nfs/dbraw/zinc/88/42/57/532884257.db2.gz UOEJEOIMGQDGSF-UHFFFAOYSA-N -1 1 389.543 2.054 20 0 GEADMM O=S(=O)(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000360229958 532890119 /nfs/dbraw/zinc/89/01/19/532890119.db2.gz LIXIUUMZZHQLTK-SWLSCSKDSA-N -1 1 376.881 2.258 20 0 GEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)c(F)c1 ZINC000421150416 532888578 /nfs/dbraw/zinc/88/85/78/532888578.db2.gz IQBXRTLMSCGGKZ-AWEZNQCLSA-N -1 1 381.491 2.173 20 0 GEADMM CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCSC1 ZINC000290780488 532889339 /nfs/dbraw/zinc/88/93/39/532889339.db2.gz CAZRENKXRQUDBX-VIFPVBQESA-N -1 1 383.322 2.236 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCC(F)(F)[C@@H](CO)C1 ZINC000290995612 532894178 /nfs/dbraw/zinc/89/41/78/532894178.db2.gz CBYPREHNLXZWKD-MRVPVSSYSA-N -1 1 397.159 2.087 20 0 GEADMM Cc1ccc(OCCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(Br)c1 ZINC000362101075 532894870 /nfs/dbraw/zinc/89/48/70/532894870.db2.gz AEDGKEINANHCFM-LBPRGKRZSA-N -1 1 394.273 2.446 20 0 GEADMM CN(CC1(O)CCCC1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000291134171 532897113 /nfs/dbraw/zinc/89/71/13/532897113.db2.gz VSBCAZMDXVGZHH-UHFFFAOYSA-N -1 1 395.308 2.035 20 0 GEADMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000276534452 532897236 /nfs/dbraw/zinc/89/72/36/532897236.db2.gz VIDLPHWGGNPMAI-LURJTMIESA-N -1 1 387.658 2.045 20 0 GEADMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)Oc2ccccc21 ZINC000364706145 532908282 /nfs/dbraw/zinc/90/82/82/532908282.db2.gz NSIGQGKJEXZSMC-OAHLLOKOSA-N -1 1 382.825 2.211 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)c2cccc(Cl)c2)c(C(F)(F)F)n1 ZINC000293089174 532921953 /nfs/dbraw/zinc/92/19/53/532921953.db2.gz MZVPJGCDCRGCSE-ZDUSSCGKSA-N -1 1 397.806 2.278 20 0 GEADMM O=C(c1ncccc1[O-])N1CCC(O)(c2scnc2Br)CC1 ZINC000366683541 532920330 /nfs/dbraw/zinc/92/03/30/532920330.db2.gz YDJYXSGAQMESDW-UHFFFAOYSA-N -1 1 384.255 2.130 20 0 GEADMM CCOC(=O)c1csc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000292990752 532920857 /nfs/dbraw/zinc/92/08/57/532920857.db2.gz RXLRGAVRISAKKI-UHFFFAOYSA-N -1 1 379.404 2.210 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccccc2Cl)c(C(F)(F)F)n1 ZINC000293025142 532921360 /nfs/dbraw/zinc/92/13/60/532921360.db2.gz IQBBMRJLFQZPNF-CYBMUJFWSA-N -1 1 397.806 2.278 20 0 GEADMM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293148602 532922624 /nfs/dbraw/zinc/92/26/24/532922624.db2.gz QTYNWQRQDYUCRI-QMMMGPOBSA-N -1 1 381.401 2.440 20 0 GEADMM C[C@H](CN(C)C(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nn[n-]n1 ZINC000293400979 532926232 /nfs/dbraw/zinc/92/62/32/532926232.db2.gz FLSLPUOXEPISQR-SNVBAGLBSA-N -1 1 390.245 2.024 20 0 GEADMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293531074 532928203 /nfs/dbraw/zinc/92/82/03/532928203.db2.gz PNIWIOANNCEGFX-JQWIXIFHSA-N -1 1 377.388 2.229 20 0 GEADMM COC(=O)CCCCCCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293596754 532929406 /nfs/dbraw/zinc/92/94/06/532929406.db2.gz UUEVIBJYQASBRX-UHFFFAOYSA-N -1 1 385.408 2.231 20 0 GEADMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293358042 532925696 /nfs/dbraw/zinc/92/56/96/532925696.db2.gz FAPAWCIRSBOPPW-SNVBAGLBSA-N -1 1 375.372 2.379 20 0 GEADMM O=C(c1cc(Br)ccc1[O-])N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368911525 532935538 /nfs/dbraw/zinc/93/55/38/532935538.db2.gz QEEGPOCFYMBKKO-OAHLLOKOSA-N -1 1 397.269 2.008 20 0 GEADMM Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cs1 ZINC000368565053 532933228 /nfs/dbraw/zinc/93/32/28/532933228.db2.gz ZPKRJKNMXMKORH-OLZOCXBDSA-N -1 1 399.563 2.322 20 0 GEADMM O=C(N[C@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(Br)cc1[O-] ZINC000370600569 532944475 /nfs/dbraw/zinc/94/44/75/532944475.db2.gz YRCHYHIKRNCLMM-ZDUSSCGKSA-N -1 1 390.237 2.194 20 0 GEADMM CC(=O)N[C@@H](C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C(C)C ZINC000735473634 598833465 /nfs/dbraw/zinc/83/34/65/598833465.db2.gz CRGVRXFCBIMLBV-QGZVFWFLSA-N -1 1 398.492 2.372 20 0 GEADMM COc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nn1 ZINC000737066082 598834143 /nfs/dbraw/zinc/83/41/43/598834143.db2.gz ATJUMHBMYBUGNZ-UHFFFAOYSA-N -1 1 393.432 2.324 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccc(Cl)cc21 ZINC000738355534 598844547 /nfs/dbraw/zinc/84/45/47/598844547.db2.gz PIPBOGXYGXELAO-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccc(Cl)cc21 ZINC000738355534 598844548 /nfs/dbraw/zinc/84/45/48/598844548.db2.gz PIPBOGXYGXELAO-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000736290182 598866614 /nfs/dbraw/zinc/86/66/14/598866614.db2.gz PRPNGJPNBZJGEA-JTQLQIEISA-N -1 1 391.840 2.496 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000736290182 598866616 /nfs/dbraw/zinc/86/66/16/598866616.db2.gz PRPNGJPNBZJGEA-JTQLQIEISA-N -1 1 391.840 2.496 20 0 GEADMM COc1ccccc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737151807 598867342 /nfs/dbraw/zinc/86/73/42/598867342.db2.gz HEWMNKISKPAEDU-UHFFFAOYSA-N -1 1 379.829 2.354 20 0 GEADMM COc1ccccc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737151807 598867343 /nfs/dbraw/zinc/86/73/43/598867343.db2.gz HEWMNKISKPAEDU-UHFFFAOYSA-N -1 1 379.829 2.354 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2sccc2C1 ZINC000738355682 598875125 /nfs/dbraw/zinc/87/51/25/598875125.db2.gz SPAOMXWCSLPQSW-UHFFFAOYSA-N -1 1 381.870 2.329 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2sccc2C1 ZINC000738355682 598875126 /nfs/dbraw/zinc/87/51/26/598875126.db2.gz SPAOMXWCSLPQSW-UHFFFAOYSA-N -1 1 381.870 2.329 20 0 GEADMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000735485871 598929752 /nfs/dbraw/zinc/92/97/52/598929752.db2.gz XKBCPZPTQYXJQN-UHFFFAOYSA-N -1 1 386.437 2.243 20 0 GEADMM CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)ccc1OC ZINC000736626928 598948375 /nfs/dbraw/zinc/94/83/75/598948375.db2.gz USVBVSSJIOMXOU-UHFFFAOYSA-N -1 1 389.437 2.383 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000737225451 598947943 /nfs/dbraw/zinc/94/79/43/598947943.db2.gz NQJMBKXCNOFUFU-UHFFFAOYSA-N -1 1 398.448 2.103 20 0 GEADMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)c2)n[nH]1 ZINC000737463443 598949385 /nfs/dbraw/zinc/94/93/85/598949385.db2.gz SGLVXHBDAWUCAU-UHFFFAOYSA-N -1 1 396.436 2.069 20 0 GEADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736555360 598956230 /nfs/dbraw/zinc/95/62/30/598956230.db2.gz HQWMPOQFKGGOKQ-UHFFFAOYSA-N -1 1 399.418 2.485 20 0 GEADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736555360 598956232 /nfs/dbraw/zinc/95/62/32/598956232.db2.gz HQWMPOQFKGGOKQ-UHFFFAOYSA-N -1 1 399.418 2.485 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735633715 598961245 /nfs/dbraw/zinc/96/12/45/598961245.db2.gz QRXXWLNGRQQQFC-GFCCVEGCSA-N -1 1 396.455 2.303 20 0 GEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735633715 598961247 /nfs/dbraw/zinc/96/12/47/598961247.db2.gz QRXXWLNGRQQQFC-GFCCVEGCSA-N -1 1 396.455 2.303 20 0 GEADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)n1[C@@H](C)c1ccccc1 ZINC000737242592 598965061 /nfs/dbraw/zinc/96/50/61/598965061.db2.gz PCFJYVDOUVXKRK-LBPRGKRZSA-N -1 1 376.424 2.362 20 0 GEADMM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737755174 598980269 /nfs/dbraw/zinc/98/02/69/598980269.db2.gz JZAZEVFPEYSBOT-UHFFFAOYSA-N -1 1 391.416 2.341 20 0 GEADMM NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737755174 598980271 /nfs/dbraw/zinc/98/02/71/598980271.db2.gz JZAZEVFPEYSBOT-UHFFFAOYSA-N -1 1 391.416 2.341 20 0 GEADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737107257 598985257 /nfs/dbraw/zinc/98/52/57/598985257.db2.gz ABIDQAAFWLJWKQ-MRXNPFEDSA-N -1 1 380.408 2.256 20 0 GEADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737107257 598985260 /nfs/dbraw/zinc/98/52/60/598985260.db2.gz ABIDQAAFWLJWKQ-MRXNPFEDSA-N -1 1 380.408 2.256 20 0 GEADMM O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738118157 598993588 /nfs/dbraw/zinc/99/35/88/598993588.db2.gz ZBJBSIOPGJDHJN-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738118157 598993589 /nfs/dbraw/zinc/99/35/89/598993589.db2.gz ZBJBSIOPGJDHJN-UHFFFAOYSA-N -1 1 378.314 2.133 20 0 GEADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Br)cn1 ZINC000735857626 598995302 /nfs/dbraw/zinc/99/53/02/598995302.db2.gz WRYHSWYXYYBITF-UHFFFAOYSA-N -1 1 388.229 2.474 20 0 GEADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Br)cn1 ZINC000735857626 598995303 /nfs/dbraw/zinc/99/53/03/598995303.db2.gz WRYHSWYXYYBITF-UHFFFAOYSA-N -1 1 388.229 2.474 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(Br)c1 ZINC000737104429 599001873 /nfs/dbraw/zinc/00/18/73/599001873.db2.gz PEHUTZZEXFDOIV-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(Br)c1 ZINC000737104429 599001875 /nfs/dbraw/zinc/00/18/75/599001875.db2.gz PEHUTZZEXFDOIV-UHFFFAOYSA-N -1 1 375.186 2.285 20 0 GEADMM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738018684 599001914 /nfs/dbraw/zinc/00/19/14/599001914.db2.gz DSIZUMAZJJYYJR-JSGCOSHPSA-N -1 1 385.225 2.310 20 0 GEADMM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738018684 599001916 /nfs/dbraw/zinc/00/19/16/599001916.db2.gz DSIZUMAZJJYYJR-JSGCOSHPSA-N -1 1 385.225 2.310 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000738259768 599020284 /nfs/dbraw/zinc/02/02/84/599020284.db2.gz WDVRBRIZZUAHER-HNNXBMFYSA-N -1 1 378.392 2.010 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000738259768 599020286 /nfs/dbraw/zinc/02/02/86/599020286.db2.gz WDVRBRIZZUAHER-HNNXBMFYSA-N -1 1 378.392 2.010 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735626377 599027667 /nfs/dbraw/zinc/02/76/67/599027667.db2.gz JDUSDAOODZFOEH-CYBMUJFWSA-N -1 1 388.428 2.208 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735626377 599027669 /nfs/dbraw/zinc/02/76/69/599027669.db2.gz JDUSDAOODZFOEH-CYBMUJFWSA-N -1 1 388.428 2.208 20 0 GEADMM CSCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2[nH]1 ZINC000737183679 599031280 /nfs/dbraw/zinc/03/12/80/599031280.db2.gz USYLMPYPRRYJSI-OAHLLOKOSA-N -1 1 394.464 2.362 20 0 GEADMM CSCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2[nH]1 ZINC000737183679 599031282 /nfs/dbraw/zinc/03/12/82/599031282.db2.gz USYLMPYPRRYJSI-OAHLLOKOSA-N -1 1 394.464 2.362 20 0 GEADMM O=C1COc2ccccc2N1CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000823542893 599040864 /nfs/dbraw/zinc/04/08/64/599040864.db2.gz YTAKZOAEFPLEKC-UHFFFAOYSA-N -1 1 391.844 2.204 20 0 GEADMM O=C1COc2ccccc2N1CCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000823542893 599040867 /nfs/dbraw/zinc/04/08/67/599040867.db2.gz YTAKZOAEFPLEKC-UHFFFAOYSA-N -1 1 391.844 2.204 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000737200951 599091578 /nfs/dbraw/zinc/09/15/78/599091578.db2.gz OQSOZWIBRWRAKD-NVXWUHKLSA-N -1 1 392.463 2.264 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000737200497 599093754 /nfs/dbraw/zinc/09/37/54/599093754.db2.gz NDJXCBHUIMEONJ-IERDGZPVSA-N -1 1 392.463 2.363 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000823521275 599096377 /nfs/dbraw/zinc/09/63/77/599096377.db2.gz UTVWFANSRHUMTM-GUTXKFCHSA-N -1 1 395.854 2.484 20 0 GEADMM O=C1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000823521275 599096380 /nfs/dbraw/zinc/09/63/80/599096380.db2.gz UTVWFANSRHUMTM-GUTXKFCHSA-N -1 1 395.854 2.484 20 0 GEADMM OC[C@H](Cc1c[nH]c2ccccc12)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000823705996 599106467 /nfs/dbraw/zinc/10/64/67/599106467.db2.gz JVBSZYGBUGJQML-VIFPVBQESA-N -1 1 375.845 2.473 20 0 GEADMM OC[C@H](Cc1c[nH]c2ccccc12)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000823705996 599106469 /nfs/dbraw/zinc/10/64/69/599106469.db2.gz JVBSZYGBUGJQML-VIFPVBQESA-N -1 1 375.845 2.473 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(CCOC[C@@H]2CCCO2)c2ccc(Cl)cc12 ZINC000823658004 599126225 /nfs/dbraw/zinc/12/62/25/599126225.db2.gz XYVSVCAZFXYENB-LBPRGKRZSA-N -1 1 375.816 2.031 20 0 GEADMM CC(C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735723455 599137558 /nfs/dbraw/zinc/13/75/58/599137558.db2.gz YHYNFINHZFUUGW-QGZVFWFLSA-N -1 1 398.398 2.071 20 0 GEADMM CC(C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735723455 599137560 /nfs/dbraw/zinc/13/75/60/599137560.db2.gz YHYNFINHZFUUGW-QGZVFWFLSA-N -1 1 398.398 2.071 20 0 GEADMM CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736426651 599139030 /nfs/dbraw/zinc/13/90/30/599139030.db2.gz SPCPZLOJFRGAAM-XJKSGUPXSA-N -1 1 394.435 2.465 20 0 GEADMM CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736426651 599139033 /nfs/dbraw/zinc/13/90/33/599139033.db2.gz SPCPZLOJFRGAAM-XJKSGUPXSA-N -1 1 394.435 2.465 20 0 GEADMM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737215005 599141553 /nfs/dbraw/zinc/14/15/53/599141553.db2.gz DLKZHDVSXCVJRE-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737215005 599141555 /nfs/dbraw/zinc/14/15/55/599141555.db2.gz DLKZHDVSXCVJRE-SNVBAGLBSA-N -1 1 386.799 2.408 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000737908984 599141594 /nfs/dbraw/zinc/14/15/94/599141594.db2.gz OELLDKFGTKYMQZ-UHFFFAOYSA-N -1 1 377.282 2.320 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000737908984 599141595 /nfs/dbraw/zinc/14/15/95/599141595.db2.gz OELLDKFGTKYMQZ-UHFFFAOYSA-N -1 1 377.282 2.320 20 0 GEADMM O=C(OCCOc1ccccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738222165 599157569 /nfs/dbraw/zinc/15/75/69/599157569.db2.gz KPCQYLWASITOIV-UHFFFAOYSA-N -1 1 390.197 2.260 20 0 GEADMM O=C(OCCOc1ccccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738222165 599157572 /nfs/dbraw/zinc/15/75/72/599157572.db2.gz KPCQYLWASITOIV-UHFFFAOYSA-N -1 1 390.197 2.260 20 0 GEADMM COCCCn1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000736987075 599166335 /nfs/dbraw/zinc/16/63/35/599166335.db2.gz BRPGAWBHTMNNDO-UHFFFAOYSA-N -1 1 396.411 2.044 20 0 GEADMM COCCCn1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000736987075 599166336 /nfs/dbraw/zinc/16/63/36/599166336.db2.gz BRPGAWBHTMNNDO-UHFFFAOYSA-N -1 1 396.411 2.044 20 0 GEADMM CCc1nn(Cc2ncc(-c3ccccc3F)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707147 599166912 /nfs/dbraw/zinc/16/69/12/599166912.db2.gz PZUWNLRZWNDLFJ-UHFFFAOYSA-N -1 1 395.398 2.391 20 0 GEADMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2CCCOC2)c2ccc(Br)cc12 ZINC000823657147 607259359 /nfs/dbraw/zinc/25/93/59/607259359.db2.gz OKXFPUHGGYMPIF-SNVBAGLBSA-N -1 1 390.241 2.371 20 0 GEADMM O=C([O-])CCNS(=O)(=O)c1scc(Br)c1Br ZINC000261587924 596919598 /nfs/dbraw/zinc/91/95/98/596919598.db2.gz RYSJMYMDABOQSC-UHFFFAOYSA-N -1 1 393.078 2.026 20 0 GEADMM CNc1ncc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)s1 ZINC000821637405 607262046 /nfs/dbraw/zinc/26/20/46/607262046.db2.gz DTYCQJJTKHORAC-UHFFFAOYSA-N -1 1 396.436 2.216 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)Nc3cccc(CC(=O)[O-])c3)n2)cc1 ZINC000738083686 597198011 /nfs/dbraw/zinc/19/80/11/597198011.db2.gz WAJALJBLSFUKCO-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)Nc3cccc(CC(=O)[O-])c3)n[nH]2)cc1 ZINC000738083686 597198013 /nfs/dbraw/zinc/19/80/13/597198013.db2.gz WAJALJBLSFUKCO-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000532677542 597467444 /nfs/dbraw/zinc/46/74/44/597467444.db2.gz XIRVGDZNONQTCO-LBPRGKRZSA-N -1 1 392.433 2.041 20 0 GEADMM COc1ccc(C(=O)O[C@H](C)C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000738092437 597493155 /nfs/dbraw/zinc/49/31/55/597493155.db2.gz MJKOOHQUSGGPIX-GFCCVEGCSA-N -1 1 393.417 2.434 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])C1)N1CCCCC1 ZINC000818631133 597509496 /nfs/dbraw/zinc/50/94/96/597509496.db2.gz BUAYQTBZWHJPBQ-RDJZCZTQSA-N -1 1 375.469 2.338 20 0 GEADMM NC(=O)C1CCN(c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000822864984 607317949 /nfs/dbraw/zinc/31/79/49/607317949.db2.gz RCDYRARNYBPKMI-UHFFFAOYSA-N -1 1 383.481 2.242 20 0 GEADMM C[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(Br)cc1 ZINC000820225272 607323965 /nfs/dbraw/zinc/32/39/65/607323965.db2.gz FIYLDLFKCNYMRK-MRVPVSSYSA-N -1 1 376.218 2.242 20 0 GEADMM O=C([O-])[C@@H]1CC(C(=O)Nc2ccccc2-c2nnc[nH]2)=NN1c1ccccc1 ZINC000821470252 598158479 /nfs/dbraw/zinc/15/84/79/598158479.db2.gz HDKBYRFPCQDBHS-INIZCTEOSA-N -1 1 376.376 2.130 20 0 GEADMM O=C([O-])C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000520564987 598169769 /nfs/dbraw/zinc/16/97/69/598169769.db2.gz XBNYFEXKCFRHGS-SECBINFHSA-N -1 1 380.351 2.152 20 0 GEADMM CC[C@H](C)[C@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000263206841 598187331 /nfs/dbraw/zinc/18/73/31/598187331.db2.gz YIWVZGDPRIKJAP-RFUYNDQBSA-N -1 1 376.453 2.210 20 0 GEADMM O=C([O-])c1cccc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000821442017 598190523 /nfs/dbraw/zinc/19/05/23/598190523.db2.gz MBHWTWGLHFEZBO-UHFFFAOYSA-N -1 1 388.330 2.454 20 0 GEADMM Cc1ccc(-c2n[nH]c(NC(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)n2)o1 ZINC000821058625 598213147 /nfs/dbraw/zinc/21/31/47/598213147.db2.gz YYWKEVWNYITXJX-ZDUSSCGKSA-N -1 1 380.364 2.031 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000735636517 598246393 /nfs/dbraw/zinc/24/63/93/598246393.db2.gz XYFNKDYYSBWKAB-QMMMGPOBSA-N -1 1 385.881 2.328 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000735636517 598246395 /nfs/dbraw/zinc/24/63/95/598246395.db2.gz XYFNKDYYSBWKAB-QMMMGPOBSA-N -1 1 385.881 2.328 20 0 GEADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1nc(C)cs1 ZINC000736362971 598261449 /nfs/dbraw/zinc/26/14/49/598261449.db2.gz LMYDPEHJLYTWCY-SNVBAGLBSA-N -1 1 391.482 2.335 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735733725 598261643 /nfs/dbraw/zinc/26/16/43/598261643.db2.gz JCXODBWUCGVLGP-HNNXBMFYSA-N -1 1 376.417 2.076 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735733725 598261645 /nfs/dbraw/zinc/26/16/45/598261645.db2.gz JCXODBWUCGVLGP-HNNXBMFYSA-N -1 1 376.417 2.076 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000738355300 598262856 /nfs/dbraw/zinc/26/28/56/598262856.db2.gz OBIMCWJJCFTZIT-UHFFFAOYSA-N -1 1 398.492 2.295 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000738355300 598262858 /nfs/dbraw/zinc/26/28/58/598262858.db2.gz OBIMCWJJCFTZIT-UHFFFAOYSA-N -1 1 398.492 2.295 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1ccccc1Cl ZINC000738353786 598268061 /nfs/dbraw/zinc/26/80/61/598268061.db2.gz GXSVCIFUECIXJF-HNNXBMFYSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1ccccc1Cl ZINC000738353786 598268062 /nfs/dbraw/zinc/26/80/62/598268062.db2.gz GXSVCIFUECIXJF-HNNXBMFYSA-N -1 1 390.856 2.441 20 0 GEADMM Cc1c2ccccc2oc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737208534 598268889 /nfs/dbraw/zinc/26/88/89/598268889.db2.gz DBPKLBIVJQFOBG-LLVKDONJSA-N -1 1 384.421 2.356 20 0 GEADMM Cc1c2ccccc2oc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737208534 598268891 /nfs/dbraw/zinc/26/88/91/598268891.db2.gz DBPKLBIVJQFOBG-LLVKDONJSA-N -1 1 384.421 2.356 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC2(CCC2)c2c1cccc2F ZINC000738356014 598298324 /nfs/dbraw/zinc/29/83/24/598298324.db2.gz VFJCHSBGHKJOTK-UHFFFAOYSA-N -1 1 386.412 2.031 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC2(CCC2)c2c1cccc2F ZINC000738356014 598298326 /nfs/dbraw/zinc/29/83/26/598298326.db2.gz VFJCHSBGHKJOTK-UHFFFAOYSA-N -1 1 386.412 2.031 20 0 GEADMM Cc1ccn(CCOc2cccc(Br)c2)c(=O)c1-c1nn[n-]n1 ZINC000822374494 607349399 /nfs/dbraw/zinc/34/93/99/607349399.db2.gz ZEJRJULGFOKALA-UHFFFAOYSA-N -1 1 376.214 2.178 20 0 GEADMM O=S(=O)([N-]c1ccc(N2CCCCC2)nc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738342962 598333297 /nfs/dbraw/zinc/33/32/97/598333297.db2.gz UMQJMDDXYSCIMX-UHFFFAOYSA-N -1 1 385.453 2.053 20 0 GEADMM c1ccc(CCNc2nnc(Sc3nccnc3-c3nn[n-]n3)s2)cc1 ZINC000738432196 598340163 /nfs/dbraw/zinc/34/01/63/598340163.db2.gz DMMZHICLIUGBTG-UHFFFAOYSA-N -1 1 383.466 2.314 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000737549802 598366848 /nfs/dbraw/zinc/36/68/48/598366848.db2.gz ZARUPNNVHWVPFZ-UHFFFAOYSA-N -1 1 395.354 2.049 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000737549802 598366850 /nfs/dbraw/zinc/36/68/50/598366850.db2.gz ZARUPNNVHWVPFZ-UHFFFAOYSA-N -1 1 395.354 2.049 20 0 GEADMM CC(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000735497617 598369395 /nfs/dbraw/zinc/36/93/95/598369395.db2.gz FHUYRWMOTFPCKT-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM Cc1ccc(C)c(OCc2nnc(Sc3cnc(-c4nnn[n-]4)cn3)o2)c1 ZINC000737327334 598385483 /nfs/dbraw/zinc/38/54/83/598385483.db2.gz ZRBWWBCWGUTTFD-UHFFFAOYSA-N -1 1 382.409 2.387 20 0 GEADMM Cc1ccc(C)c(OCc2nnc(Sc3cnc(-c4nn[n-]n4)cn3)o2)c1 ZINC000737327334 598385484 /nfs/dbraw/zinc/38/54/84/598385484.db2.gz ZRBWWBCWGUTTFD-UHFFFAOYSA-N -1 1 382.409 2.387 20 0 GEADMM Cn1cc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)cn1 ZINC000737601367 598400714 /nfs/dbraw/zinc/40/07/14/598400714.db2.gz IDDIJCBJMZCVOH-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM Cn1cc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)cn1 ZINC000737601367 598400715 /nfs/dbraw/zinc/40/07/15/598400715.db2.gz IDDIJCBJMZCVOH-UHFFFAOYSA-N -1 1 393.382 2.462 20 0 GEADMM COC(=O)[C@H](C)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736893580 598401928 /nfs/dbraw/zinc/40/19/28/598401928.db2.gz RCXJUJIXGUXHNY-LLVKDONJSA-N -1 1 399.382 2.337 20 0 GEADMM COC(=O)[C@H](C)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736893580 598401929 /nfs/dbraw/zinc/40/19/29/598401929.db2.gz RCXJUJIXGUXHNY-LLVKDONJSA-N -1 1 399.382 2.337 20 0 GEADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736472768 598410765 /nfs/dbraw/zinc/41/07/65/598410765.db2.gz ZCQXFNRCGHFIMY-NSHDSACASA-N -1 1 392.485 2.111 20 0 GEADMM CCNC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736576295 598412049 /nfs/dbraw/zinc/41/20/49/598412049.db2.gz PCLPJWRWAYYINY-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM CCNC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736576295 598412050 /nfs/dbraw/zinc/41/20/50/598412050.db2.gz PCLPJWRWAYYINY-UHFFFAOYSA-N -1 1 385.355 2.091 20 0 GEADMM Cc1cccc(N(C)CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)c1 ZINC000737397590 598422066 /nfs/dbraw/zinc/42/20/66/598422066.db2.gz YWJDVJKCBUBLQX-UHFFFAOYSA-N -1 1 388.435 2.436 20 0 GEADMM Cc1cccc(N(C)CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)c1 ZINC000737397590 598422067 /nfs/dbraw/zinc/42/20/67/598422067.db2.gz YWJDVJKCBUBLQX-UHFFFAOYSA-N -1 1 388.435 2.436 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000737359943 598445982 /nfs/dbraw/zinc/44/59/82/598445982.db2.gz IUXOZISWUQUVGT-UHFFFAOYSA-N -1 1 391.391 2.218 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000737359943 598445984 /nfs/dbraw/zinc/44/59/84/598445984.db2.gz IUXOZISWUQUVGT-UHFFFAOYSA-N -1 1 391.391 2.218 20 0 GEADMM Cc1cccc(C2(NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCCC2)c1 ZINC000737390665 598464488 /nfs/dbraw/zinc/46/44/88/598464488.db2.gz URKBTTJALNIEIW-UHFFFAOYSA-N -1 1 384.465 2.318 20 0 GEADMM Cc1cccc(C2(NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCCC2)c1 ZINC000737390665 598464490 /nfs/dbraw/zinc/46/44/90/598464490.db2.gz URKBTTJALNIEIW-UHFFFAOYSA-N -1 1 384.465 2.318 20 0 GEADMM CC(C)(CO)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819984242 607356716 /nfs/dbraw/zinc/35/67/16/607356716.db2.gz SEVLPLYTCHBVKO-UHFFFAOYSA-N -1 1 386.481 2.413 20 0 GEADMM COc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1OC ZINC000737065184 598504220 /nfs/dbraw/zinc/50/42/20/598504220.db2.gz CHZLTJJVNWZHEI-UHFFFAOYSA-N -1 1 391.387 2.082 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Oc1cccc(F)c1F ZINC000737198695 598519131 /nfs/dbraw/zinc/51/91/31/598519131.db2.gz CKGOUBCVPCCGNF-UHFFFAOYSA-N -1 1 375.335 2.401 20 0 GEADMM Cc1ncsc1CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000737503197 598539847 /nfs/dbraw/zinc/53/98/47/598539847.db2.gz LSNLRYILNXTTIC-SNVBAGLBSA-N -1 1 375.458 2.300 20 0 GEADMM COc1ccc(OC)c([C@@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737107293 598572888 /nfs/dbraw/zinc/57/28/88/598572888.db2.gz AHILCWHWCQLJTK-LBPRGKRZSA-N -1 1 376.804 2.078 20 0 GEADMM COc1ccc(OC)c([C@@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737107293 598572889 /nfs/dbraw/zinc/57/28/89/598572889.db2.gz AHILCWHWCQLJTK-LBPRGKRZSA-N -1 1 376.804 2.078 20 0 GEADMM CCCCN(C)C(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736453005 598575880 /nfs/dbraw/zinc/57/58/80/598575880.db2.gz JLBJCHBJGLAKAF-UHFFFAOYSA-N -1 1 377.880 2.390 20 0 GEADMM CCCCN(C)C(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736453005 598575882 /nfs/dbraw/zinc/57/58/82/598575882.db2.gz JLBJCHBJGLAKAF-UHFFFAOYSA-N -1 1 377.880 2.390 20 0 GEADMM COc1cc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1OCCO ZINC000737042246 598576457 /nfs/dbraw/zinc/57/64/57/598576457.db2.gz PPVIGNBZLGJWJE-JTQLQIEISA-N -1 1 390.831 2.468 20 0 GEADMM COc1cc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1OCCO ZINC000737042246 598576459 /nfs/dbraw/zinc/57/64/59/598576459.db2.gz PPVIGNBZLGJWJE-JTQLQIEISA-N -1 1 390.831 2.468 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(-c2cccc(N)c2)no1 ZINC000737199640 598610980 /nfs/dbraw/zinc/61/09/80/598610980.db2.gz IUMXOOZFWOMCLJ-UHFFFAOYSA-N -1 1 378.396 2.002 20 0 GEADMM CCc1nn(Cc2coc(-c3cccs3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707227 598642679 /nfs/dbraw/zinc/64/26/79/598642679.db2.gz QXHFAFOQOLKWKD-UHFFFAOYSA-N -1 1 383.437 2.313 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCc2ccc(F)cc21 ZINC000738355827 598664554 /nfs/dbraw/zinc/66/45/54/598664554.db2.gz UXCHWJUCBINILX-UHFFFAOYSA-N -1 1 377.376 2.286 20 0 GEADMM CCOc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736643915 598687003 /nfs/dbraw/zinc/68/70/03/598687003.db2.gz PTIFXQFGPXVJJC-UHFFFAOYSA-N -1 1 391.428 2.225 20 0 GEADMM CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736636441 598688330 /nfs/dbraw/zinc/68/83/30/598688330.db2.gz JCUQQRMCKQWWLW-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737074584 598693324 /nfs/dbraw/zinc/69/33/24/598693324.db2.gz JENRHATYMORGFD-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM C[C@H](CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736002617 598694135 /nfs/dbraw/zinc/69/41/35/598694135.db2.gz RMEPFMFHJBCXDL-GFCCVEGCSA-N -1 1 375.429 2.430 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000738355366 598694159 /nfs/dbraw/zinc/69/41/59/598694159.db2.gz PPOLPLBVXBUUMG-MPEURRAXSA-N -1 1 377.445 2.205 20 0 GEADMM C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736296229 598719527 /nfs/dbraw/zinc/71/95/27/598719527.db2.gz GTKDUUFVJQOXRJ-ZDUSSCGKSA-N -1 1 386.415 2.159 20 0 GEADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1F ZINC000737357702 598719648 /nfs/dbraw/zinc/71/96/48/598719648.db2.gz RUBANNHHPPWPBN-UHFFFAOYSA-N -1 1 378.367 2.268 20 0 GEADMM CCCN(CCC)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736473516 598720851 /nfs/dbraw/zinc/72/08/51/598720851.db2.gz RIYOHPDZCUREGA-UHFFFAOYSA-N -1 1 388.859 2.484 20 0 GEADMM C[C@H]1CCCCN1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736267128 598720901 /nfs/dbraw/zinc/72/09/01/598720901.db2.gz LYQICOXMCOOVCG-NSHDSACASA-N -1 1 386.843 2.236 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)N2CCS[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000737188714 598754557 /nfs/dbraw/zinc/75/45/57/598754557.db2.gz DPKLUPPOMLKODZ-VIFPVBQESA-N -1 1 376.511 2.439 20 0 GEADMM Cc1oc(NC(=O)COC(=O)CO[C@@H]2CCC[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737552886 598800771 /nfs/dbraw/zinc/80/07/71/598800771.db2.gz RTQMGAKNOGDNBW-ZWNOBZJWSA-N -1 1 391.428 2.154 20 0 GEADMM Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000822427655 599343245 /nfs/dbraw/zinc/34/32/45/599343245.db2.gz SWEXDPSTDYJMIV-VIFPVBQESA-N -1 1 396.473 2.461 20 0 GEADMM Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000822427655 599343248 /nfs/dbraw/zinc/34/32/48/599343248.db2.gz SWEXDPSTDYJMIV-VIFPVBQESA-N -1 1 396.473 2.461 20 0 GEADMM CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820943982 599344624 /nfs/dbraw/zinc/34/46/24/599344624.db2.gz FNXRVGHGFWKSQD-CYBMUJFWSA-N -1 1 376.417 2.173 20 0 GEADMM CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820943982 599344626 /nfs/dbraw/zinc/34/46/26/599344626.db2.gz FNXRVGHGFWKSQD-CYBMUJFWSA-N -1 1 376.417 2.173 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1c1ccccc1 ZINC000820768062 599358109 /nfs/dbraw/zinc/35/81/09/599358109.db2.gz LLWJANPFBMZCNE-BBRMVZONSA-N -1 1 384.465 2.076 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1c1ccccc1 ZINC000820768062 599358111 /nfs/dbraw/zinc/35/81/11/599358111.db2.gz LLWJANPFBMZCNE-BBRMVZONSA-N -1 1 384.465 2.076 20 0 GEADMM CCc1nsc(N2CCCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000821558573 599360772 /nfs/dbraw/zinc/36/07/72/599360772.db2.gz BLISZWALUNXVCA-UHFFFAOYSA-N -1 1 397.921 2.107 20 0 GEADMM CCc1nsc(N2CCCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000821558573 599360774 /nfs/dbraw/zinc/36/07/74/599360774.db2.gz BLISZWALUNXVCA-UHFFFAOYSA-N -1 1 397.921 2.107 20 0 GEADMM CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821449116 599375219 /nfs/dbraw/zinc/37/52/19/599375219.db2.gz QCJNHHFPPJPAGT-GHMZBOCLSA-N -1 1 385.490 2.301 20 0 GEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ncc(-c2ccccc2Br)o1 ZINC000823657085 599385636 /nfs/dbraw/zinc/38/56/36/599385636.db2.gz NELJHRFXUOSORR-UHFFFAOYSA-N -1 1 399.208 2.494 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(O)CCCCCC1 ZINC000737548331 599386558 /nfs/dbraw/zinc/38/65/58/599386558.db2.gz OJZXJOWNNSRQEB-UHFFFAOYSA-N -1 1 384.440 2.374 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(O)CCCCCC1 ZINC000737548331 599386561 /nfs/dbraw/zinc/38/65/61/599386561.db2.gz OJZXJOWNNSRQEB-UHFFFAOYSA-N -1 1 384.440 2.374 20 0 GEADMM O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173106 599387377 /nfs/dbraw/zinc/38/73/77/599387377.db2.gz JERGIEAZYWSSOB-IRXDYDNUSA-N -1 1 380.408 2.196 20 0 GEADMM O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173106 599387380 /nfs/dbraw/zinc/38/73/80/599387380.db2.gz JERGIEAZYWSSOB-IRXDYDNUSA-N -1 1 380.408 2.196 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC000735975309 599415429 /nfs/dbraw/zinc/41/54/29/599415429.db2.gz KUXIKSFVJCWHHZ-HNNXBMFYSA-N -1 1 377.452 2.104 20 0 GEADMM C[C@@H](CC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC000735975309 599415431 /nfs/dbraw/zinc/41/54/31/599415431.db2.gz KUXIKSFVJCWHHZ-HNNXBMFYSA-N -1 1 377.452 2.104 20 0 GEADMM O=C1[C@@H](Nc2cccc(-c3nnn[n-]3)n2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000738296115 599439024 /nfs/dbraw/zinc/43/90/24/599439024.db2.gz KFBYTONSHJVANN-ZDUSSCGKSA-N -1 1 389.341 2.498 20 0 GEADMM O=C1[C@@H](Nc2cccc(-c3nn[n-]n3)n2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000738296115 599439026 /nfs/dbraw/zinc/43/90/26/599439026.db2.gz KFBYTONSHJVANN-ZDUSSCGKSA-N -1 1 389.341 2.498 20 0 GEADMM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1C ZINC000820643149 599492043 /nfs/dbraw/zinc/49/20/43/599492043.db2.gz QVMIAHBXJFBSCL-INIZCTEOSA-N -1 1 394.391 2.173 20 0 GEADMM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1C ZINC000820643149 599492044 /nfs/dbraw/zinc/49/20/44/599492044.db2.gz QVMIAHBXJFBSCL-INIZCTEOSA-N -1 1 394.391 2.173 20 0 GEADMM Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(-c3nnn[n-]3)o2)c1 ZINC000820633868 599492055 /nfs/dbraw/zinc/49/20/55/599492055.db2.gz FBBCGQVTCXFWIV-HNNXBMFYSA-N -1 1 395.448 2.200 20 0 GEADMM Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(-c3nn[n-]n3)o2)c1 ZINC000820633868 599492056 /nfs/dbraw/zinc/49/20/56/599492056.db2.gz FBBCGQVTCXFWIV-HNNXBMFYSA-N -1 1 395.448 2.200 20 0 GEADMM CCCC1=C(C(=O)OC)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CC1CC1 ZINC000821034970 599492179 /nfs/dbraw/zinc/49/21/79/599492179.db2.gz XPQKESMJYVXCLE-HNNXBMFYSA-N -1 1 386.412 2.163 20 0 GEADMM CCCC1=C(C(=O)OC)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CC1CC1 ZINC000821034970 599492181 /nfs/dbraw/zinc/49/21/81/599492181.db2.gz XPQKESMJYVXCLE-HNNXBMFYSA-N -1 1 386.412 2.163 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737187760 599495056 /nfs/dbraw/zinc/49/50/56/599495056.db2.gz UESWNGXPMNKZLM-XPTSAGLGSA-N -1 1 382.449 2.353 20 0 GEADMM C[C@@H]1c2c(F)cccc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736301448 599597073 /nfs/dbraw/zinc/59/70/73/599597073.db2.gz NJBLAISXVQBVPE-SNVBAGLBSA-N -1 1 391.403 2.453 20 0 GEADMM C[C@H]1c2ccc(F)cc2CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736305107 599597349 /nfs/dbraw/zinc/59/73/49/599597349.db2.gz SYFWAFPGXFBVSN-JTQLQIEISA-N -1 1 391.403 2.453 20 0 GEADMM Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737327810 599597682 /nfs/dbraw/zinc/59/76/82/599597682.db2.gz BMMDSINQCZQISO-OAHLLOKOSA-N -1 1 388.453 2.469 20 0 GEADMM Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737327810 599597684 /nfs/dbraw/zinc/59/76/84/599597684.db2.gz BMMDSINQCZQISO-OAHLLOKOSA-N -1 1 388.453 2.469 20 0 GEADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2nccn2C(F)F)c(-c2nn[n-]n2)c1C ZINC000822540465 599643210 /nfs/dbraw/zinc/64/32/10/599643210.db2.gz BERBQHMLLZWZQU-VIFPVBQESA-N -1 1 394.386 2.127 20 0 GEADMM O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1)OCCC1CC1 ZINC000823061126 599650922 /nfs/dbraw/zinc/65/09/22/599650922.db2.gz XCTOYULRZDSAAU-UHFFFAOYSA-N -1 1 389.359 2.422 20 0 GEADMM CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820967207 599656196 /nfs/dbraw/zinc/65/61/96/599656196.db2.gz LNMCAINCENEHLF-BXUZGUMPSA-N -1 1 382.472 2.106 20 0 GEADMM CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820967207 599656197 /nfs/dbraw/zinc/65/61/97/599656197.db2.gz LNMCAINCENEHLF-BXUZGUMPSA-N -1 1 382.472 2.106 20 0 GEADMM NC(=O)c1ccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nn1 ZINC000822884921 599685629 /nfs/dbraw/zinc/68/56/29/599685629.db2.gz DOPMIMOBVMUVDT-UHFFFAOYSA-N -1 1 378.421 2.096 20 0 GEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000736204198 599769975 /nfs/dbraw/zinc/76/99/75/599769975.db2.gz HMLKDWLXFFZULT-MRXNPFEDSA-N -1 1 391.487 2.045 20 0 GEADMM CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737369849 599775597 /nfs/dbraw/zinc/77/55/97/599775597.db2.gz LIPKKODFVRPPSL-UHFFFAOYSA-N -1 1 386.857 2.384 20 0 GEADMM C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736776233 599780052 /nfs/dbraw/zinc/78/00/52/599780052.db2.gz VBHAHGXSDFKTIO-GASCZTMLSA-N -1 1 384.498 2.081 20 0 GEADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCCCC(=O)[O-])c2C1 ZINC000736354828 599790463 /nfs/dbraw/zinc/79/04/63/599790463.db2.gz LRDVJRSXFLGBGA-AWEZNQCLSA-N -1 1 375.469 2.356 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c(C(=O)[O-])s1 ZINC000737681006 599813584 /nfs/dbraw/zinc/81/35/84/599813584.db2.gz ORMCOONDLMUYCP-UHFFFAOYSA-N -1 1 383.403 2.236 20 0 GEADMM CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736931647 599839682 /nfs/dbraw/zinc/83/96/82/599839682.db2.gz HOVFCDXFFCPVGS-MGPUTAFESA-N -1 1 389.452 2.139 20 0 GEADMM O=C([O-])CCc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000739767531 599855615 /nfs/dbraw/zinc/85/56/15/599855615.db2.gz UFXZHHFXQRRVCA-UHFFFAOYSA-N -1 1 391.449 2.069 20 0 GEADMM O=C([O-])c1ccc(CCNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000739429129 599905254 /nfs/dbraw/zinc/90/52/54/599905254.db2.gz BLUBEBYZYYSSDB-UHFFFAOYSA-N -1 1 383.383 2.351 20 0 GEADMM O=C([O-])c1ccc(CCNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000739429129 599905257 /nfs/dbraw/zinc/90/52/57/599905257.db2.gz BLUBEBYZYYSSDB-UHFFFAOYSA-N -1 1 383.383 2.351 20 0 GEADMM COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477419650 599907061 /nfs/dbraw/zinc/90/70/61/599907061.db2.gz BMRSOPNFKAPXCU-UHFFFAOYSA-N -1 1 392.433 2.204 20 0 GEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000736368811 599918176 /nfs/dbraw/zinc/91/81/76/599918176.db2.gz PGVVFFDFLDRDMT-KRWDZBQOSA-N -1 1 396.919 2.261 20 0 GEADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000476729702 599925432 /nfs/dbraw/zinc/92/54/32/599925432.db2.gz CEODSUDEMGTCLT-UHFFFAOYSA-N -1 1 392.433 2.139 20 0 GEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000738521735 599957494 /nfs/dbraw/zinc/95/74/94/599957494.db2.gz ZPEGYDHNDVBUIW-RDJZCZTQSA-N -1 1 397.479 2.411 20 0 GEADMM CCOC[C@H](O)CN1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000737162581 599972205 /nfs/dbraw/zinc/97/22/05/599972205.db2.gz SJIHGIBSRRCGTG-CYBMUJFWSA-N -1 1 396.484 2.254 20 0 GEADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3c2ccn3C)c1 ZINC000737652370 599981860 /nfs/dbraw/zinc/98/18/60/599981860.db2.gz AUEXCQUINNKZSZ-UHFFFAOYSA-N -1 1 388.401 2.464 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736650372 599984429 /nfs/dbraw/zinc/98/44/29/599984429.db2.gz NHEYLBHITBDJGG-XJKSGUPXSA-N -1 1 394.431 2.404 20 0 GEADMM O=C([O-])c1ccc(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000739256616 600035407 /nfs/dbraw/zinc/03/54/07/600035407.db2.gz QMOKDGGUOBJLFE-UHFFFAOYSA-N -1 1 395.503 2.251 20 0 GEADMM C[C@H](NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000736662301 600035604 /nfs/dbraw/zinc/03/56/04/600035604.db2.gz NVGXXYUOOVCBBJ-KSSFIOAISA-N -1 1 396.443 2.147 20 0 GEADMM NC(=O)Cc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000739159940 600053218 /nfs/dbraw/zinc/05/32/18/600053218.db2.gz COARSTAFVFUHBB-UHFFFAOYSA-N -1 1 390.442 2.428 20 0 GEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000739374011 600094971 /nfs/dbraw/zinc/09/49/71/600094971.db2.gz QVPPLVKOHAVAJG-UHFFFAOYSA-N -1 1 378.381 2.217 20 0 GEADMM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cc1 ZINC000737718544 600103667 /nfs/dbraw/zinc/10/36/67/600103667.db2.gz UJXWGGGPKASFEP-UHFFFAOYSA-N -1 1 384.435 2.100 20 0 GEADMM NC(=O)CCSc1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000739157584 600170059 /nfs/dbraw/zinc/17/00/59/600170059.db2.gz MVBNXCKTJVWVDS-UHFFFAOYSA-N -1 1 386.476 2.215 20 0 GEADMM O=C([O-])[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)Cc1ccc(O)cc1 ZINC000739498922 600172976 /nfs/dbraw/zinc/17/29/76/600172976.db2.gz NPWIIIXQTSNUAR-ICSRJNTNSA-N -1 1 382.460 2.416 20 0 GEADMM CCOCCN1CCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@@H]1CC ZINC000737176870 600270121 /nfs/dbraw/zinc/27/01/21/600270121.db2.gz SFRWXBPESVXHMA-INIZCTEOSA-N -1 1 393.484 2.036 20 0 GEADMM CCOCCN1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H]1CC ZINC000737176064 600270167 /nfs/dbraw/zinc/27/01/67/600270167.db2.gz HPIWOAOJCNMISM-SFHVURJKSA-N -1 1 377.485 2.070 20 0 GEADMM O=C([O-])[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c2ccccc21 ZINC000739601581 600278149 /nfs/dbraw/zinc/27/81/49/600278149.db2.gz DNQIRMGKKYJEHQ-AWEZNQCLSA-N -1 1 395.440 2.290 20 0 GEADMM COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738049954 600292808 /nfs/dbraw/zinc/29/28/08/600292808.db2.gz VLVCYWKFQSHYJN-CJNGLKHVSA-N -1 1 376.453 2.068 20 0 GEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N1CCN(c3cccc(Cl)c3)CC1)CC2 ZINC000739533323 600304993 /nfs/dbraw/zinc/30/49/93/600304993.db2.gz WWXKUNQSOFGOLO-KRWDZBQOSA-N -1 1 391.899 2.175 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736724042 600312814 /nfs/dbraw/zinc/31/28/14/600312814.db2.gz JQMBPPQRXCWNJG-XJKSGUPXSA-N -1 1 399.422 2.414 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)CC1 ZINC000422590446 600326063 /nfs/dbraw/zinc/32/60/63/600326063.db2.gz NHDHSGOFDRKYCS-UHFFFAOYSA-N -1 1 391.443 2.185 20 0 GEADMM C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)C[C@H](C)C(=O)[O-] ZINC000736576182 600366129 /nfs/dbraw/zinc/36/61/29/600366129.db2.gz XCXFDLOVFLMQBM-VHSXEESVSA-N -1 1 387.358 2.032 20 0 GEADMM O=C([O-])c1cc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccc1F ZINC000739404656 600385640 /nfs/dbraw/zinc/38/56/40/600385640.db2.gz ZMZRVHCPPOBOSD-INIZCTEOSA-N -1 1 387.411 2.065 20 0 GEADMM O=C([O-])c1ccc(CN2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 ZINC000263576028 600436222 /nfs/dbraw/zinc/43/62/22/600436222.db2.gz PWPXIJJZYWSGBA-UHFFFAOYSA-N -1 1 385.439 2.072 20 0 GEADMM O=C([O-])[C@H]1CCCN1CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000238091724 600438257 /nfs/dbraw/zinc/43/82/57/600438257.db2.gz AFDOQGXCQDCUQZ-HXUWFJFHSA-N -1 1 381.476 2.033 20 0 GEADMM CN1CCN(Cc2ccc(C(=O)NCCc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000737529189 600464411 /nfs/dbraw/zinc/46/44/11/600464411.db2.gz TXHXILKZAXZSQR-UHFFFAOYSA-N -1 1 396.491 2.496 20 0 GEADMM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1 ZINC000739742552 600482698 /nfs/dbraw/zinc/48/26/98/600482698.db2.gz NKGPGNXIVBWMSM-UHFFFAOYSA-N -1 1 393.343 2.100 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)N3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000738732644 600561045 /nfs/dbraw/zinc/56/10/45/600561045.db2.gz KKJXDOVMWQQEHF-UHFFFAOYSA-N -1 1 388.512 2.013 20 0 GEADMM COc1ccc2c(c1)N(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C[C@@H](C)O2 ZINC000821849465 607454367 /nfs/dbraw/zinc/45/43/67/607454367.db2.gz JEEDDECDKQWOQR-SNVBAGLBSA-N -1 1 398.423 2.311 20 0 GEADMM COCCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000737789635 600632559 /nfs/dbraw/zinc/63/25/59/600632559.db2.gz NYBFHDHZNPILCV-UHFFFAOYSA-N -1 1 396.241 2.403 20 0 GEADMM CN(C)[C@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000737358244 600646211 /nfs/dbraw/zinc/64/62/11/600646211.db2.gz JOGCICVFLPDJOM-GOSISDBHSA-N -1 1 389.427 2.391 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cs1 ZINC000614776087 600673814 /nfs/dbraw/zinc/67/38/14/600673814.db2.gz GQQRNJPTULLOCR-UHFFFAOYSA-N -1 1 391.434 2.236 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c[nH]1 ZINC000066814382 600682283 /nfs/dbraw/zinc/68/22/83/600682283.db2.gz OZKUZJOAPTZXCM-UHFFFAOYSA-N -1 1 387.421 2.109 20 0 GEADMM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000738669762 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2.120 20 0 GEADMM COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000776459948 601331312 /nfs/dbraw/zinc/33/13/12/601331312.db2.gz ICQGAGFMSONZRE-JXMROGBWSA-N -1 1 377.374 2.077 20 0 GEADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831439928 601331930 /nfs/dbraw/zinc/33/19/30/601331930.db2.gz GOZWKGSPRCKCQV-BJMVGYQFSA-N -1 1 391.401 2.380 20 0 GEADMM CN1CCOc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc21 ZINC000830964324 601362506 /nfs/dbraw/zinc/36/25/06/601362506.db2.gz JGJIRVZSPPBKKG-UHFFFAOYSA-N -1 1 384.360 2.292 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000833129510 601384340 /nfs/dbraw/zinc/38/43/40/601384340.db2.gz MGQQJUVKQITSIF-UHFFFAOYSA-N -1 1 395.824 2.126 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000833129877 601384346 /nfs/dbraw/zinc/38/43/46/601384346.db2.gz UQMFYRWCXBYAMC-UHFFFAOYSA-N -1 1 395.824 2.126 20 0 GEADMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1ccccc1 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SJPVHXUOXKEGON-PHIMTYICSA-N -1 1 376.425 2.204 20 0 GEADMM CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830608786 601596301 /nfs/dbraw/zinc/59/63/01/601596301.db2.gz ITAKAOPVVGXCOH-JXMROGBWSA-N -1 1 378.450 2.130 20 0 GEADMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000826045231 601609029 /nfs/dbraw/zinc/60/90/29/601609029.db2.gz QVLRNFQIOFMHLE-DNVCBOLYSA-N -1 1 382.464 2.025 20 0 GEADMM Cc1cc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc(C)c1OCC(=O)[O-] ZINC000777359798 601679401 /nfs/dbraw/zinc/67/94/01/601679401.db2.gz UYVRZCNBWOCONH-UHFFFAOYSA-N -1 1 380.404 2.482 20 0 GEADMM Cc1cc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc(C)c1OCC(=O)[O-] ZINC000777359798 601679403 /nfs/dbraw/zinc/67/94/03/601679403.db2.gz UYVRZCNBWOCONH-UHFFFAOYSA-N -1 1 380.404 2.482 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC1 ZINC000827374264 601687838 /nfs/dbraw/zinc/68/78/38/601687838.db2.gz FKRXQOGFCWVKHJ-GFCCVEGCSA-N -1 1 376.844 2.351 20 0 GEADMM CC[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)[O-] ZINC000828982323 601750058 /nfs/dbraw/zinc/75/00/58/601750058.db2.gz BPMICQCAWDQWKI-LBPRGKRZSA-N -1 1 382.463 2.450 20 0 GEADMM CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000440278185 601794785 /nfs/dbraw/zinc/79/47/85/601794785.db2.gz DTJVNDVCWFUVOC-UHFFFAOYSA-N -1 1 375.410 2.353 20 0 GEADMM COc1ccc(S(=O)(=O)N(CCN(C)C)C2CCCCC2)cc1C(=O)[O-] ZINC000832449417 601800388 /nfs/dbraw/zinc/80/03/88/601800388.db2.gz PIWHOZTVYBTNSP-UHFFFAOYSA-N -1 1 384.498 2.278 20 0 GEADMM C[C@@H]1CN(CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)C[C@H]1C(=O)[O-] ZINC000828448804 601815067 /nfs/dbraw/zinc/81/50/67/601815067.db2.gz GXYMXFLDFNVVBP-OOYBUDEJSA-N -1 1 385.464 2.245 20 0 GEADMM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2C[C@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC000829069359 601819204 /nfs/dbraw/zinc/81/92/04/601819204.db2.gz HKOGNKDRQQMCJH-UCMVZMLTSA-N -1 1 379.844 2.107 20 0 GEADMM Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877593 601834286 /nfs/dbraw/zinc/83/42/86/601834286.db2.gz BMJILPMYIJOFDM-UHFFFAOYSA-N -1 1 386.788 2.385 20 0 GEADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000833344785 601837016 /nfs/dbraw/zinc/83/70/16/601837016.db2.gz JZICCFRJEUYUBR-UHFFFAOYSA-N -1 1 397.796 2.191 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)c(Cl)cc1F ZINC000735270696 601841475 /nfs/dbraw/zinc/84/14/75/601841475.db2.gz QZCZWRGLOQFHSR-UHFFFAOYSA-N -1 1 398.799 2.264 20 0 GEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000740399267 601867741 /nfs/dbraw/zinc/86/77/41/601867741.db2.gz MFVHZKBYCJYNAL-HXUWFJFHSA-N -1 1 394.475 2.267 20 0 GEADMM CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000829069304 601895054 /nfs/dbraw/zinc/89/50/54/601895054.db2.gz FCSNNSFSWWMVPI-MSOLQXFVSA-N -1 1 379.844 2.251 20 0 GEADMM CN(CCN1C(=O)c2ccccc2C1=O)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830781329 601899151 /nfs/dbraw/zinc/89/91/51/601899151.db2.gz WXOZEIQMPGEWRI-INIZCTEOSA-N -1 1 392.333 2.458 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000740370447 601924429 /nfs/dbraw/zinc/92/44/29/601924429.db2.gz WVUQECSKWQDZCF-XMTFNYHQSA-N -1 1 379.501 2.153 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000740370447 601924431 /nfs/dbraw/zinc/92/44/31/601924431.db2.gz WVUQECSKWQDZCF-XMTFNYHQSA-N -1 1 379.501 2.153 20 0 GEADMM COc1ccccc1CCNC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739974618 601928991 /nfs/dbraw/zinc/92/89/91/601928991.db2.gz JOKVHYJIPKAEJA-QZTJIDSGSA-N -1 1 389.496 2.351 20 0 GEADMM COc1ccccc1CCNC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739974620 601929043 /nfs/dbraw/zinc/92/90/43/601929043.db2.gz JOKVHYJIPKAEJA-ROUUACIJSA-N -1 1 389.496 2.351 20 0 GEADMM COc1ccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000739909437 601929119 /nfs/dbraw/zinc/92/91/19/601929119.db2.gz SKBFHWZFNNSJAV-QZTJIDSGSA-N -1 1 375.469 2.308 20 0 GEADMM COC(=O)c1ccccc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739789401 601934216 /nfs/dbraw/zinc/93/42/16/601934216.db2.gz SZPIRFAKIDARGS-UHFFFAOYSA-N -1 1 375.425 2.019 20 0 GEADMM O=C([O-])NC[C@@H]1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000740641596 601945883 /nfs/dbraw/zinc/94/58/83/601945883.db2.gz JRCHGZWXKWPEBS-HNNXBMFYSA-N -1 1 382.464 2.373 20 0 GEADMM CCC[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000739313187 601950242 /nfs/dbraw/zinc/95/02/42/601950242.db2.gz NSTCGQMLYUAAAI-XJKSGUPXSA-N -1 1 380.464 2.191 20 0 GEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000740454177 601952933 /nfs/dbraw/zinc/95/29/33/601952933.db2.gz WIMKXIFAUWECJW-MRXNPFEDSA-N -1 1 377.404 2.193 20 0 GEADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000740454177 601952937 /nfs/dbraw/zinc/95/29/37/601952937.db2.gz WIMKXIFAUWECJW-MRXNPFEDSA-N -1 1 377.404 2.193 20 0 GEADMM CCCCc1nc(CS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000825296397 607535907 /nfs/dbraw/zinc/53/59/07/607535907.db2.gz HCWXJFPYQLFUPT-UHFFFAOYSA-N -1 1 378.483 2.176 20 0 GEADMM CCCCc1nc(CS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000825296397 607535909 /nfs/dbraw/zinc/53/59/09/607535909.db2.gz HCWXJFPYQLFUPT-UHFFFAOYSA-N -1 1 378.483 2.176 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000828168825 601969282 /nfs/dbraw/zinc/96/92/82/601969282.db2.gz QZMUWKQONWXVEK-XJKSGUPXSA-N -1 1 399.422 2.242 20 0 GEADMM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1-c1nn[nH]n1 ZINC000826303696 607536628 /nfs/dbraw/zinc/53/66/28/607536628.db2.gz AKVUGYIINRBHIX-UHFFFAOYSA-N -1 1 399.411 2.301 20 0 GEADMM O=C([O-])NCCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000738656694 601990229 /nfs/dbraw/zinc/99/02/29/601990229.db2.gz UAZDMAHFOHJMAI-UHFFFAOYSA-N -1 1 376.457 2.487 20 0 GEADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000449146849 602017533 /nfs/dbraw/zinc/01/75/33/602017533.db2.gz ONFNXKHBDLTOIQ-AWEZNQCLSA-N -1 1 399.188 2.104 20 0 GEADMM O=c1c2c3c(sc2ncn1Cc1ccnc(-c2nnn[n-]2)c1)CCCCC3 ZINC000826501585 607539584 /nfs/dbraw/zinc/53/95/84/607539584.db2.gz XCXRAPJYONCZTJ-UHFFFAOYSA-N -1 1 379.449 2.350 20 0 GEADMM O=c1c2c3c(sc2ncn1Cc1ccnc(-c2nn[n-]n2)c1)CCCCC3 ZINC000826501585 607539585 /nfs/dbraw/zinc/53/95/85/607539585.db2.gz XCXRAPJYONCZTJ-UHFFFAOYSA-N -1 1 379.449 2.350 20 0 GEADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCc1nc(C)no1)CC2 ZINC000572048082 602031614 /nfs/dbraw/zinc/03/16/14/602031614.db2.gz GQOAUOTYZYXWEO-OAHLLOKOSA-N -1 1 375.425 2.402 20 0 GEADMM C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738980048 602052718 /nfs/dbraw/zinc/05/27/18/602052718.db2.gz NKYSAUKJFNSOHB-ARFHVFGLSA-N -1 1 378.473 2.494 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)N1CCCC1 ZINC000832597449 602055743 /nfs/dbraw/zinc/05/57/43/602055743.db2.gz YGRKITRWXZQLMI-OXQOHEQNSA-N -1 1 375.469 2.338 20 0 GEADMM COc1cc(C=O)c(Br)cc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826178644 607543419 /nfs/dbraw/zinc/54/34/19/607543419.db2.gz GSZXJNIZYYAJDD-UHFFFAOYSA-N -1 1 390.197 2.424 20 0 GEADMM COc1cc(C=O)c(Br)cc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826178644 607543420 /nfs/dbraw/zinc/54/34/20/607543420.db2.gz GSZXJNIZYYAJDD-UHFFFAOYSA-N -1 1 390.197 2.424 20 0 GEADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cn1 ZINC000740703265 602085882 /nfs/dbraw/zinc/08/58/82/602085882.db2.gz IWSIBJIESUPZTB-MRXNPFEDSA-N -1 1 397.435 2.063 20 0 GEADMM C[C@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000738915769 602096860 /nfs/dbraw/zinc/09/68/60/602096860.db2.gz IJESFGRNKDXKRI-SJORKVTESA-N -1 1 388.512 2.465 20 0 GEADMM CCc1nn(Cc2ccc(C(=O)OC(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763153 607545118 /nfs/dbraw/zinc/54/51/18/607545118.db2.gz QDRBOYMCSHAJNE-UHFFFAOYSA-N -1 1 396.451 2.162 20 0 GEADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCN(C(=O)[O-])CC4)cn3)[nH]n2)o1 ZINC000740095117 602119272 /nfs/dbraw/zinc/11/92/72/602119272.db2.gz PNQXPDCKHQHXDN-UHFFFAOYSA-N -1 1 396.407 2.425 20 0 GEADMM Clc1ccc(Cc2nnn(Cc3ccnc(-c4nnn[n-]4)c3)n2)cc1Cl ZINC000826352417 607550995 /nfs/dbraw/zinc/55/09/95/607550995.db2.gz ZVLLKHOQHWKUGD-UHFFFAOYSA-N -1 1 388.222 2.194 20 0 GEADMM Clc1ccc(Cc2nnn(Cc3ccnc(-c4nn[n-]n4)c3)n2)cc1Cl ZINC000826352417 607550996 /nfs/dbraw/zinc/55/09/96/607550996.db2.gz ZVLLKHOQHWKUGD-UHFFFAOYSA-N -1 1 388.222 2.194 20 0 GEADMM COC(=O)c1nscc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000765101324 602155000 /nfs/dbraw/zinc/15/50/00/602155000.db2.gz LUHYJPGFCHUSTI-UHFFFAOYSA-N -1 1 394.789 2.221 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826340744 607551932 /nfs/dbraw/zinc/55/19/32/607551932.db2.gz JCTBOUACIIODIT-UONOGXRCSA-N -1 1 382.424 2.057 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826340744 607551934 /nfs/dbraw/zinc/55/19/34/607551934.db2.gz JCTBOUACIIODIT-UONOGXRCSA-N -1 1 382.424 2.057 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826340742 607551980 /nfs/dbraw/zinc/55/19/80/607551980.db2.gz JCTBOUACIIODIT-KBPBESRZSA-N -1 1 382.424 2.057 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826340742 607551982 /nfs/dbraw/zinc/55/19/82/607551982.db2.gz JCTBOUACIIODIT-KBPBESRZSA-N -1 1 382.424 2.057 20 0 GEADMM CCc1ccc([C@]2(CC)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000825704946 607553477 /nfs/dbraw/zinc/55/34/77/607553477.db2.gz RESYIQDTODKNSA-FQEVSTJZSA-N -1 1 391.435 2.181 20 0 GEADMM CCc1ccc([C@]2(CC)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000825704946 607553478 /nfs/dbraw/zinc/55/34/78/607553478.db2.gz RESYIQDTODKNSA-FQEVSTJZSA-N -1 1 391.435 2.181 20 0 GEADMM Cc1n[nH]c([C@@H]2CCCN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)n1 ZINC000832996876 602233582 /nfs/dbraw/zinc/23/35/82/602233582.db2.gz IEMCMTIPPOUCJT-LLVKDONJSA-N -1 1 389.481 2.180 20 0 GEADMM Cc1nnc([C@@H]2CCCN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)[nH]1 ZINC000832996876 602233585 /nfs/dbraw/zinc/23/35/85/602233585.db2.gz IEMCMTIPPOUCJT-LLVKDONJSA-N -1 1 389.481 2.180 20 0 GEADMM COc1cc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)ccc1NC(=O)[O-] ZINC000739868713 602256716 /nfs/dbraw/zinc/25/67/16/602256716.db2.gz VFKRSBHVKDFBKO-UHFFFAOYSA-N -1 1 397.391 2.420 20 0 GEADMM O=C([O-])N1CCC(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000740500791 602258246 /nfs/dbraw/zinc/25/82/46/602258246.db2.gz RNEKXCSJQHGTBA-UHFFFAOYSA-N -1 1 384.480 2.245 20 0 GEADMM CN(CCCC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC000737426999 602291751 /nfs/dbraw/zinc/29/17/51/602291751.db2.gz MNGAMKNKCIAWMH-UHFFFAOYSA-N -1 1 396.245 2.240 20 0 GEADMM CN(CCCC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)[O-] ZINC000737426999 602291754 /nfs/dbraw/zinc/29/17/54/602291754.db2.gz MNGAMKNKCIAWMH-UHFFFAOYSA-N -1 1 396.245 2.240 20 0 GEADMM COC[C@@](C)([N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1)C(F)(F)F ZINC000444056236 649932642 /nfs/dbraw/zinc/93/26/42/649932642.db2.gz JJZPTFVUMGRTAR-CQSZACIVSA-N -1 1 375.372 2.389 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000739030251 602443608 /nfs/dbraw/zinc/44/36/08/602443608.db2.gz YXGBOUGOERVDPE-CYBMUJFWSA-N -1 1 383.876 2.203 20 0 GEADMM COc1ccc(CN(C)C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)cc1OC ZINC000739909237 602444938 /nfs/dbraw/zinc/44/49/38/602444938.db2.gz PDLQMWZCTLYOBX-AWEZNQCLSA-N -1 1 393.484 2.030 20 0 GEADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000738628423 602452025 /nfs/dbraw/zinc/45/20/25/602452025.db2.gz DPPPJHVRANQRNF-JKSUJKDBSA-N -1 1 392.475 2.160 20 0 GEADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CC1 ZINC000739016042 602460480 /nfs/dbraw/zinc/46/04/80/602460480.db2.gz NJUMQFUJHSSFOA-SECBINFHSA-N -1 1 376.438 2.132 20 0 GEADMM O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(Br)c([O-])c1 ZINC000826441534 607569477 /nfs/dbraw/zinc/56/94/77/607569477.db2.gz IRNQUQGDAVXGNM-UHFFFAOYSA-N -1 1 392.188 2.404 20 0 GEADMM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000739688709 602494668 /nfs/dbraw/zinc/49/46/68/602494668.db2.gz QWKHXJXIWROGHJ-UHFFFAOYSA-N -1 1 391.859 2.098 20 0 GEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739186023 602498983 /nfs/dbraw/zinc/49/89/83/602498983.db2.gz CPMADVYNSIWUTH-JTDSTZFVSA-N -1 1 389.496 2.445 20 0 GEADMM CC[C@H](NC(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000739529817 602517279 /nfs/dbraw/zinc/51/72/79/602517279.db2.gz AHNHRSFAPXITQP-INIZCTEOSA-N -1 1 382.892 2.015 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1OC ZINC000738090142 602531822 /nfs/dbraw/zinc/53/18/22/602531822.db2.gz ARQJLPMLDWHPSN-CQSZACIVSA-N -1 1 393.484 2.125 20 0 GEADMM COc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826219642 607573282 /nfs/dbraw/zinc/57/32/82/607573282.db2.gz LCHKNYVMIJAHSI-UHFFFAOYSA-N -1 1 379.829 2.007 20 0 GEADMM CN1CCN(Cc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])cc2)CC1 ZINC000739736256 602566910 /nfs/dbraw/zinc/56/69/10/602566910.db2.gz DBGORHHFZCJDCD-HXUWFJFHSA-N -1 1 396.491 2.251 20 0 GEADMM CCOC(=O)c1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825565172 607575757 /nfs/dbraw/zinc/57/57/57/607575757.db2.gz NNBYZFDEIDOBIT-UHFFFAOYSA-N -1 1 388.405 2.120 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)C[C@H](C)O1 ZINC000739182524 602614283 /nfs/dbraw/zinc/61/42/83/602614283.db2.gz OREZYXJUUGNXML-HLLBOEOZSA-N -1 1 384.521 2.001 20 0 GEADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000739188465 602615275 /nfs/dbraw/zinc/61/52/75/602615275.db2.gz YDRYCDFLURTXJW-ARFHVFGLSA-N -1 1 392.500 2.093 20 0 GEADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739925772 602655757 /nfs/dbraw/zinc/65/57/57/602655757.db2.gz UFDPTNIZVDPQCY-UHFFFAOYSA-N -1 1 393.421 2.222 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740079155 602690255 /nfs/dbraw/zinc/69/02/55/602690255.db2.gz GFOSTWJZMXEBQK-MRXNPFEDSA-N -1 1 389.500 2.258 20 0 GEADMM O=S(=O)(NCCCOC1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491034 607580998 /nfs/dbraw/zinc/58/09/98/607580998.db2.gz QZWHQEIFJTXRBA-UHFFFAOYSA-N -1 1 383.449 2.024 20 0 GEADMM O=S(=O)(NCCCOC1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491034 607581000 /nfs/dbraw/zinc/58/10/00/607581000.db2.gz QZWHQEIFJTXRBA-UHFFFAOYSA-N -1 1 383.449 2.024 20 0 GEADMM COc1ccc(NC(=O)[O-])c(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000739918298 602691760 /nfs/dbraw/zinc/69/17/60/602691760.db2.gz QCGNQTJMWGMGHF-UHFFFAOYSA-N -1 1 385.380 2.331 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000739183355 602696395 /nfs/dbraw/zinc/69/63/95/602696395.db2.gz RJQMEDKESCFWNY-IYBDPMFKSA-N -1 1 392.500 2.032 20 0 GEADMM COc1cc(OC)cc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826181224 607577534 /nfs/dbraw/zinc/57/75/34/607577534.db2.gz QEBPPGKFNCENGS-UHFFFAOYSA-N -1 1 396.812 2.305 20 0 GEADMM COc1cc(OC)cc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826181224 607577536 /nfs/dbraw/zinc/57/75/36/607577536.db2.gz QEBPPGKFNCENGS-UHFFFAOYSA-N -1 1 396.812 2.305 20 0 GEADMM O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493525 607577855 /nfs/dbraw/zinc/57/78/55/607577855.db2.gz OVLWRXHZDQNHPY-UHFFFAOYSA-N -1 1 392.265 2.330 20 0 GEADMM O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493525 607577857 /nfs/dbraw/zinc/57/78/57/607577857.db2.gz OVLWRXHZDQNHPY-UHFFFAOYSA-N -1 1 392.265 2.330 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(Cc1ccccc1F)C1CC1 ZINC000826495547 607581777 /nfs/dbraw/zinc/58/17/77/607581777.db2.gz SWSPRHZKPACMJU-UHFFFAOYSA-N -1 1 391.403 2.498 20 0 GEADMM CCN(CCNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2)C(=O)[O-] ZINC000739418741 602769677 /nfs/dbraw/zinc/76/96/77/602769677.db2.gz COWGGFKLCBUGES-CQSZACIVSA-N -1 1 390.484 2.101 20 0 GEADMM C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825107981 602791145 /nfs/dbraw/zinc/79/11/45/602791145.db2.gz IUMSKGXSJJCCPT-HOCLYGCPSA-N -1 1 392.475 2.287 20 0 GEADMM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC ZINC000825148756 607586851 /nfs/dbraw/zinc/58/68/51/607586851.db2.gz TWTADHQLORXAQA-AWEZNQCLSA-N -1 1 391.428 2.444 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC ZINC000825148757 607587031 /nfs/dbraw/zinc/58/70/31/607587031.db2.gz TWTADHQLORXAQA-CQSZACIVSA-N -1 1 391.428 2.444 20 0 GEADMM O=C([O-])Nc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c([O-])c1 ZINC000740697934 602863321 /nfs/dbraw/zinc/86/33/21/602863321.db2.gz GSWGJVDWIMBOGJ-UHFFFAOYSA-N -1 1 377.441 2.247 20 0 GEADMM C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000824901044 607591375 /nfs/dbraw/zinc/59/13/75/607591375.db2.gz XGHUDLLOGGJNMS-KOLCDFICSA-N -1 1 377.401 2.201 20 0 GEADMM C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000824901044 607591376 /nfs/dbraw/zinc/59/13/76/607591376.db2.gz XGHUDLLOGGJNMS-KOLCDFICSA-N -1 1 377.401 2.201 20 0 GEADMM C[C@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739149213 602881679 /nfs/dbraw/zinc/88/16/79/602881679.db2.gz ZTGXFHVSWNEDIV-GJZGRUSLSA-N -1 1 375.473 2.043 20 0 GEADMM C[C@@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739149217 602881760 /nfs/dbraw/zinc/88/17/60/602881760.db2.gz ZTGXFHVSWNEDIV-HUUCEWRRSA-N -1 1 375.473 2.043 20 0 GEADMM CN(c1ccccn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826010882 607592402 /nfs/dbraw/zinc/59/24/02/607592402.db2.gz QFUJHHWZSMGYAM-UHFFFAOYSA-N -1 1 384.343 2.106 20 0 GEADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000739982125 602891608 /nfs/dbraw/zinc/89/16/08/602891608.db2.gz ZUZIHMNOSDFPMT-HOCLYGCPSA-N -1 1 377.466 2.485 20 0 GEADMM CCOc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825654300 607595697 /nfs/dbraw/zinc/59/56/97/607595697.db2.gz WAMYTUAVKQAVNM-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM CCOc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825654300 607595698 /nfs/dbraw/zinc/59/56/98/607595698.db2.gz WAMYTUAVKQAVNM-UHFFFAOYSA-N -1 1 393.856 2.397 20 0 GEADMM O=C([O-])N1CC[C@H](CN(CCO)Cc2cc(Br)ccc2F)C1 ZINC000740498516 602981264 /nfs/dbraw/zinc/98/12/64/602981264.db2.gz TVILYFDQITVTKG-LLVKDONJSA-N -1 1 375.238 2.382 20 0 GEADMM C[C@@H](NC(=O)CC(C)(C)NC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738957582 602981387 /nfs/dbraw/zinc/98/13/87/602981387.db2.gz JWZCUFYWZGUGOM-CYBMUJFWSA-N -1 1 380.464 2.191 20 0 GEADMM Cc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826292256 607598763 /nfs/dbraw/zinc/59/87/63/607598763.db2.gz NEOFPEVJXOEGOY-LBPRGKRZSA-N -1 1 391.428 2.060 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000826484341 607599095 /nfs/dbraw/zinc/59/90/95/607599095.db2.gz YZANSZSBVDNWEZ-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM O=Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000826484341 607599097 /nfs/dbraw/zinc/59/90/97/607599097.db2.gz YZANSZSBVDNWEZ-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825654362 607600695 /nfs/dbraw/zinc/60/06/95/607600695.db2.gz YRQKIOLUCWSMDB-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1F ZINC000824158107 607602751 /nfs/dbraw/zinc/60/27/51/607602751.db2.gz RDJWDCRHNWNXQP-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1F ZINC000824158107 607602753 /nfs/dbraw/zinc/60/27/53/607602753.db2.gz RDJWDCRHNWNXQP-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM CC(C)(C)[C@H]1CCCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000738674994 603050765 /nfs/dbraw/zinc/05/07/65/603050765.db2.gz IIPSHXCSSQHPIE-AWEZNQCLSA-N -1 1 380.489 2.157 20 0 GEADMM CCc1nnc([C@@H]2CN(C(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827619737 603076223 /nfs/dbraw/zinc/07/62/23/603076223.db2.gz AGTQIXJJRQSJIF-CABCVRRESA-N -1 1 387.440 2.056 20 0 GEADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)c3ccc(CNC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000823863736 603076790 /nfs/dbraw/zinc/07/67/90/603076790.db2.gz BKBWSJIMRJWXRE-AWEZNQCLSA-N -1 1 387.440 2.084 20 0 GEADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3ccc(CNC(=O)[O-])cc3)CCO2)[nH]1 ZINC000823863736 603076796 /nfs/dbraw/zinc/07/67/96/603076796.db2.gz BKBWSJIMRJWXRE-AWEZNQCLSA-N -1 1 387.440 2.084 20 0 GEADMM COCCN(CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000739818661 603106008 /nfs/dbraw/zinc/10/60/08/603106008.db2.gz KTCCSTAWDZSSES-UHFFFAOYSA-N -1 1 383.876 2.047 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824104226 607609985 /nfs/dbraw/zinc/60/99/85/607609985.db2.gz PJPSYDBJYMOOEH-ZDUSSCGKSA-N -1 1 388.428 2.095 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824104226 607609987 /nfs/dbraw/zinc/60/99/87/607609987.db2.gz PJPSYDBJYMOOEH-ZDUSSCGKSA-N -1 1 388.428 2.095 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2ccc(F)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488849 607611309 /nfs/dbraw/zinc/61/13/09/607611309.db2.gz AKZQGSDSMFODSL-CYBMUJFWSA-N -1 1 377.376 2.111 20 0 GEADMM O=S(=O)(N[C@@H]1CCc2ccc(F)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488849 607611310 /nfs/dbraw/zinc/61/13/10/607611310.db2.gz AKZQGSDSMFODSL-CYBMUJFWSA-N -1 1 377.376 2.111 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@H]2CSCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739894769 603182977 /nfs/dbraw/zinc/18/29/77/603182977.db2.gz RAOLSAPVIXFIMQ-JKSUJKDBSA-N -1 1 379.482 2.001 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000739455492 603183074 /nfs/dbraw/zinc/18/30/74/603183074.db2.gz IKPDAQQEBACEPP-HZPDHXFCSA-N -1 1 389.500 2.338 20 0 GEADMM CCc1nc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000825745565 607613547 /nfs/dbraw/zinc/61/35/47/607613547.db2.gz NMISMATYHOHGNV-QMMMGPOBSA-N -1 1 382.446 2.064 20 0 GEADMM CCc1nc([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000825745565 607613549 /nfs/dbraw/zinc/61/35/49/607613549.db2.gz NMISMATYHOHGNV-QMMMGPOBSA-N -1 1 382.446 2.064 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826467275 607614336 /nfs/dbraw/zinc/61/43/36/607614336.db2.gz OVHPKBSFFWQKBC-ZDUSSCGKSA-N -1 1 380.191 2.345 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826467275 607614337 /nfs/dbraw/zinc/61/43/37/607614337.db2.gz OVHPKBSFFWQKBC-ZDUSSCGKSA-N -1 1 380.191 2.345 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739456149 603234994 /nfs/dbraw/zinc/23/49/94/603234994.db2.gz MTEACESNLWVPPY-CABCVRRESA-N -1 1 392.475 2.145 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000830085330 603258243 /nfs/dbraw/zinc/25/82/43/603258243.db2.gz QXIYXDLYFZGCFW-MRXNPFEDSA-N -1 1 375.473 2.011 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000830084272 603258580 /nfs/dbraw/zinc/25/85/80/603258580.db2.gz IMLZPBRDDYNWEI-CRAIPNDOSA-N -1 1 389.500 2.305 20 0 GEADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824079582 607617768 /nfs/dbraw/zinc/61/77/68/607617768.db2.gz PPSQGRXCVGEBHK-IAQYHMDHSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824079582 607617769 /nfs/dbraw/zinc/61/77/69/607617769.db2.gz PPSQGRXCVGEBHK-IAQYHMDHSA-N -1 1 397.476 2.125 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000824157529 607618069 /nfs/dbraw/zinc/61/80/69/607618069.db2.gz ITYFZXGKZBCLDG-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000824157529 607618070 /nfs/dbraw/zinc/61/80/70/607618070.db2.gz ITYFZXGKZBCLDG-UHFFFAOYSA-N -1 1 393.419 2.401 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000739182092 603269454 /nfs/dbraw/zinc/26/94/54/603269454.db2.gz MEBPWUOJPKIKGJ-IOASZLSFSA-N -1 1 383.876 2.264 20 0 GEADMM O=C([O-])N1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000740400651 603315108 /nfs/dbraw/zinc/31/51/08/603315108.db2.gz QVESZDCAMFEQKE-ZFWWWQNUSA-N -1 1 385.386 2.396 20 0 GEADMM CC[C@@H]1CN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])CCN1CCOC ZINC000739277786 603340876 /nfs/dbraw/zinc/34/08/76/603340876.db2.gz HJMAKZRNYJPRKK-MRXNPFEDSA-N -1 1 378.473 2.371 20 0 GEADMM CC(C)[C@@H](CNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)N1CCN(C)CC1 ZINC000738782488 603359383 /nfs/dbraw/zinc/35/93/83/603359383.db2.gz IJSOQKVQEKLOSF-GOSISDBHSA-N -1 1 391.516 2.190 20 0 GEADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824257317 603363144 /nfs/dbraw/zinc/36/31/44/603363144.db2.gz OSXKMKUFUNTRPT-YOEHRIQHSA-N -1 1 378.473 2.494 20 0 GEADMM O=S(=O)(NC1(c2ccccc2F)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488579 607620684 /nfs/dbraw/zinc/62/06/84/607620684.db2.gz UAVGJDYDJJSDOW-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM O=S(=O)(NC1(c2ccccc2F)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488579 607620685 /nfs/dbraw/zinc/62/06/85/607620685.db2.gz UAVGJDYDJJSDOW-UHFFFAOYSA-N -1 1 377.376 2.113 20 0 GEADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000739604570 603382175 /nfs/dbraw/zinc/38/21/75/603382175.db2.gz YVCFZPDWFQLXAS-MRXNPFEDSA-N -1 1 388.399 2.273 20 0 GEADMM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000738954112 603413885 /nfs/dbraw/zinc/41/38/85/603413885.db2.gz UVNXHDNAWJHNMZ-RZLSGREXSA-N -1 1 391.468 2.002 20 0 GEADMM CCC1(CC)CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000826649465 603492193 /nfs/dbraw/zinc/49/21/93/603492193.db2.gz HCGLPLBDUSYOBB-KUHUBIRLSA-N -1 1 380.489 2.204 20 0 GEADMM CC1(C)CN(C2(CNC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CCCCC2)CCO1 ZINC000825734182 603584266 /nfs/dbraw/zinc/58/42/66/603584266.db2.gz LBQCPVZPHNHORO-HZPDHXFCSA-N -1 1 381.517 2.353 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CN(C1CC1)C1CCCCC1)C2=O ZINC000832499534 603595144 /nfs/dbraw/zinc/59/51/44/603595144.db2.gz RHVKRWRFBSCCRV-VLIAUNLRSA-N -1 1 392.500 2.489 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1)N1CCCC1 ZINC000829598566 603613624 /nfs/dbraw/zinc/61/36/24/603613624.db2.gz PKZVOBDGGSKNDT-RDJZCZTQSA-N -1 1 390.484 2.226 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)C(C)(C)CNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000826057724 603630288 /nfs/dbraw/zinc/63/02/88/603630288.db2.gz KGPYBDNGJYIUTD-GJZGRUSLSA-N -1 1 377.485 2.206 20 0 GEADMM C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])N1CCc2ccccc2C1 ZINC000824939317 603682759 /nfs/dbraw/zinc/68/27/59/603682759.db2.gz KQLQXYWYZRFHFW-AQXGTKIOSA-N -1 1 386.496 2.406 20 0 GEADMM Cc1nnc(SCC(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)[nH]1 ZINC000830678051 603750363 /nfs/dbraw/zinc/75/03/63/603750363.db2.gz LTJMWMHSFGBPRY-CQSZACIVSA-N -1 1 377.470 2.454 20 0 GEADMM Cc1n[nH]c(SCC(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000830678051 603750367 /nfs/dbraw/zinc/75/03/67/603750367.db2.gz LTJMWMHSFGBPRY-CQSZACIVSA-N -1 1 377.470 2.454 20 0 GEADMM CN(CC(=O)Nc1ccnn1Cc1cccs1)C1CCC(NC(=O)[O-])CC1 ZINC000828120888 603785577 /nfs/dbraw/zinc/78/55/77/603785577.db2.gz ZVVBCGPEFGMJCV-UHFFFAOYSA-N -1 1 391.497 2.442 20 0 GEADMM C[C@@H](NC(=O)C(C)(C)CNC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000825067100 603797060 /nfs/dbraw/zinc/79/70/60/603797060.db2.gz RYEXAIUOQWETIZ-CYBMUJFWSA-N -1 1 380.464 2.049 20 0 GEADMM Cc1ccccc1O[C@H](C)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826307424 607651312 /nfs/dbraw/zinc/65/13/12/607651312.db2.gz HTCJJWPILVVXRS-GFCCVEGCSA-N -1 1 391.428 2.060 20 0 GEADMM CN(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(F)cc1 ZINC000827993512 603807020 /nfs/dbraw/zinc/80/70/20/603807020.db2.gz DENHMTVEMHINPJ-NPYXIHBLSA-N -1 1 378.448 2.401 20 0 GEADMM CCC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000826774914 603824761 /nfs/dbraw/zinc/82/47/61/603824761.db2.gz LLQOSRRYPQJWGA-VCBZYWHSSA-N -1 1 380.489 2.204 20 0 GEADMM CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CCC(NC(=O)[O-])CC1 ZINC000828115467 603836126 /nfs/dbraw/zinc/83/61/26/603836126.db2.gz UVUCIFCWAFNPSB-UHFFFAOYSA-N -1 1 388.468 2.028 20 0 GEADMM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000827881196 603849836 /nfs/dbraw/zinc/84/98/36/603849836.db2.gz AMWUOSDCHTYBMW-SNVBAGLBSA-N -1 1 385.346 2.204 20 0 GEADMM CN(C)C(=O)COc1cccc(CNCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000827967490 603852704 /nfs/dbraw/zinc/85/27/04/603852704.db2.gz XTNMGWFAJIKJOO-UHFFFAOYSA-N -1 1 383.448 2.484 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H]1c1cccc(F)c1 ZINC000826495410 607655746 /nfs/dbraw/zinc/65/57/46/607655746.db2.gz OMNQPDFCDGLWNV-CQSZACIVSA-N -1 1 377.376 2.281 20 0 GEADMM CCSCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825675172 607656136 /nfs/dbraw/zinc/65/61/36/607656136.db2.gz YRTKREWBJIFGTJ-SECBINFHSA-N -1 1 375.907 2.330 20 0 GEADMM CCSCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825675172 607656137 /nfs/dbraw/zinc/65/61/37/607656137.db2.gz YRTKREWBJIFGTJ-SECBINFHSA-N -1 1 375.907 2.330 20 0 GEADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC(CCN3CCOCC3)CC1)C2 ZINC000831298189 603866546 /nfs/dbraw/zinc/86/65/46/603866546.db2.gz DMIJWWJPFRIIKA-YQQQUEKLSA-N -1 1 393.528 2.258 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(-c2nnc(CNC(=O)[O-])[n-]2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000825872063 603911487 /nfs/dbraw/zinc/91/14/87/603911487.db2.gz KFHWGBDKARQJDV-XQQFMLRXSA-N -1 1 386.456 2.439 20 0 GEADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000832514552 603919935 /nfs/dbraw/zinc/91/99/35/603919935.db2.gz NIESQYVLKCWKLG-PWSUYJOCSA-N -1 1 376.438 2.180 20 0 GEADMM C[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C1(N2CCOCC2)CCCC1 ZINC000825128285 603922820 /nfs/dbraw/zinc/92/28/20/603922820.db2.gz PUYKOCPJCTYLCL-HNNXBMFYSA-N -1 1 375.469 2.469 20 0 GEADMM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000832350326 603935549 /nfs/dbraw/zinc/93/55/49/603935549.db2.gz QGVFGYSDZMAJGR-RCCFBDPRSA-N -1 1 381.517 2.306 20 0 GEADMM CCCc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)[O-])CCO2)[nH]1 ZINC000826954716 603952299 /nfs/dbraw/zinc/95/22/99/603952299.db2.gz VBFCXLMUTDXCRX-ILXRZTDVSA-N -1 1 393.488 2.264 20 0 GEADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)[O-])CCO2)n1 ZINC000826954716 603952302 /nfs/dbraw/zinc/95/23/02/603952302.db2.gz VBFCXLMUTDXCRX-ILXRZTDVSA-N -1 1 393.488 2.264 20 0 GEADMM O=S(=O)(N[C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488223 607663329 /nfs/dbraw/zinc/66/33/29/607663329.db2.gz KWJWIYGAXWOZHL-SECBINFHSA-N -1 1 393.416 2.059 20 0 GEADMM CCOC(=O)c1cc(C)sc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000827338920 603977918 /nfs/dbraw/zinc/97/79/18/603977918.db2.gz PBWIORGOMIIBFQ-UHFFFAOYSA-N -1 1 383.470 2.246 20 0 GEADMM O=S(=O)(N[C@H]1CCCc2[nH]ccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488413 607664759 /nfs/dbraw/zinc/66/47/59/607664759.db2.gz PCHJMHZXBQKYOU-LBPRGKRZSA-N -1 1 378.845 2.204 20 0 GEADMM O=S(=O)(N[C@H]1CCCc2[nH]ccc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488413 607664761 /nfs/dbraw/zinc/66/47/61/607664761.db2.gz PCHJMHZXBQKYOU-LBPRGKRZSA-N -1 1 378.845 2.204 20 0 GEADMM CCS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825668560 607665580 /nfs/dbraw/zinc/66/55/80/607665580.db2.gz GRENQGLAAAJKRL-CHWSQXEVSA-N -1 1 385.490 2.348 20 0 GEADMM C[C@H](NC(=O)[C@]1(C)CCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000825073906 604052039 /nfs/dbraw/zinc/05/20/39/604052039.db2.gz DNKZHQLGVXMWBZ-VBKZILBWSA-N -1 1 392.475 2.145 20 0 GEADMM COc1cc(C)ccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826178055 607669724 /nfs/dbraw/zinc/66/97/24/607669724.db2.gz IAXCKVQGTWBIMI-UHFFFAOYSA-N -1 1 393.856 2.316 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC000824158390 607670323 /nfs/dbraw/zinc/67/03/23/607670323.db2.gz VLTVPPCMSBHMAP-ZDUSSCGKSA-N -1 1 399.904 2.394 20 0 GEADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC000824158390 607670324 /nfs/dbraw/zinc/67/03/24/607670324.db2.gz VLTVPPCMSBHMAP-ZDUSSCGKSA-N -1 1 399.904 2.394 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000826203269 607670638 /nfs/dbraw/zinc/67/06/38/607670638.db2.gz HDCIXVVREARJDN-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC000826203269 607670640 /nfs/dbraw/zinc/67/06/40/607670640.db2.gz HDCIXVVREARJDN-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000823677258 604101133 /nfs/dbraw/zinc/10/11/33/604101133.db2.gz JVFSXXKVOVOBAT-JKSUJKDBSA-N -1 1 389.496 2.491 20 0 GEADMM CN(C)Cc1ccc(NC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)cc1F ZINC000828046168 604133017 /nfs/dbraw/zinc/13/30/17/604133017.db2.gz HUOCFIHPTACQFL-UHFFFAOYSA-N -1 1 390.419 2.046 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC(F)(F)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487928 607677337 /nfs/dbraw/zinc/67/73/37/607677337.db2.gz DSOKDGMEBKLADF-MRVPVSSYSA-N -1 1 377.804 2.376 20 0 GEADMM O=S(=O)(N[C@@H]1CCCC(F)(F)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487928 607677340 /nfs/dbraw/zinc/67/73/40/607677340.db2.gz DSOKDGMEBKLADF-MRVPVSSYSA-N -1 1 377.804 2.376 20 0 GEADMM O=S(=O)(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488237 607678716 /nfs/dbraw/zinc/67/87/16/607678716.db2.gz LKAADBCCLASXTF-XGWLTEMNSA-N -1 1 385.424 2.013 20 0 GEADMM O=S(=O)(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488237 607678717 /nfs/dbraw/zinc/67/87/17/607678717.db2.gz LKAADBCCLASXTF-XGWLTEMNSA-N -1 1 385.424 2.013 20 0 GEADMM Cc1cccc(N2CCN(C(=O)CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)CC2)c1 ZINC000830506314 604216448 /nfs/dbraw/zinc/21/64/48/604216448.db2.gz ZOZXHZHNJLZLIA-ROUUACIJSA-N -1 1 388.512 2.012 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCc2cccc3cccnc32)C1 ZINC000825265237 604242237 /nfs/dbraw/zinc/24/22/37/604242237.db2.gz RDPXQYMXUDLQQX-CRAIPNDOSA-N -1 1 384.480 2.262 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000830084194 604302537 /nfs/dbraw/zinc/30/25/37/604302537.db2.gz HDCXAFCYAGUCNP-HXUWFJFHSA-N -1 1 389.500 2.305 20 0 GEADMM C[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678302 604360082 /nfs/dbraw/zinc/36/00/82/604360082.db2.gz BBUXNMXWOLETIT-ZFWWWQNUSA-N -1 1 390.484 2.202 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC(C)(C)CNC(=O)[O-] ZINC000827419702 604395049 /nfs/dbraw/zinc/39/50/49/604395049.db2.gz ZWMSZHOBILHURH-UHFFFAOYSA-N -1 1 393.488 2.005 20 0 GEADMM C[C@H](Cc1ccc(O)cc1)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000827586459 604395293 /nfs/dbraw/zinc/39/52/93/604395293.db2.gz NBZIICPENWGYHK-QRWLVFNGSA-N -1 1 382.460 2.293 20 0 GEADMM O=C([O-])C1(NCc2coc(-c3cccc(Cl)c3)n2)CCS(=O)(=O)CC1 ZINC000833176018 604439041 /nfs/dbraw/zinc/43/90/41/604439041.db2.gz VKWQMFRBHWYCPP-UHFFFAOYSA-N -1 1 384.841 2.117 20 0 GEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000833746275 604500643 /nfs/dbraw/zinc/50/06/43/604500643.db2.gz WSJAQQLADIQRHY-UHFFFAOYSA-N -1 1 393.465 2.147 20 0 GEADMM C[C@H](Oc1ccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1)C(=O)[O-] ZINC000833537029 604612229 /nfs/dbraw/zinc/61/22/29/604612229.db2.gz GFEFOHZVZVYQNH-KBPBESRZSA-N -1 1 392.477 2.379 20 0 GEADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833610634 604618565 /nfs/dbraw/zinc/61/85/65/604618565.db2.gz FWVCQZKXMMOKQH-LZNRXBQRSA-N -1 1 387.524 2.390 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830049746 604634799 /nfs/dbraw/zinc/63/47/99/604634799.db2.gz OVRWYOCAPJWMDT-INIZCTEOSA-N -1 1 390.484 2.308 20 0 GEADMM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000827652374 604678386 /nfs/dbraw/zinc/67/83/86/604678386.db2.gz DSBGCHIEFRPAON-HOCLYGCPSA-N -1 1 392.475 2.287 20 0 GEADMM CSC[C@@H]1CCCN1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000832758474 604701555 /nfs/dbraw/zinc/70/15/55/604701555.db2.gz GKILQWNUZGRSDY-YOEHRIQHSA-N -1 1 375.494 2.107 20 0 GEADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CCO1 ZINC000825329505 604703762 /nfs/dbraw/zinc/70/37/62/604703762.db2.gz ZKAJZDQEZZFUOG-BONVTDFDSA-N -1 1 378.816 2.227 20 0 GEADMM Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000832932310 604772637 /nfs/dbraw/zinc/77/26/37/604772637.db2.gz GGRKFWIJONEHNU-UHFFFAOYSA-N -1 1 377.466 2.428 20 0 GEADMM COc1ccc2oc([C@H](C)NCC(=O)N3CCN(C(=O)[O-])CC3)c(C)c2c1 ZINC000829527407 604773881 /nfs/dbraw/zinc/77/38/81/604773881.db2.gz YLKFJTDPEZJPDF-ZDUSSCGKSA-N -1 1 375.425 2.223 20 0 GEADMM CCO[C@H](C)c1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cs1 ZINC000825576966 607715942 /nfs/dbraw/zinc/71/59/42/607715942.db2.gz QOTWFDYQAIMGGK-LLVKDONJSA-N -1 1 397.464 2.487 20 0 GEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cn2cc(Cl)ccc2n1 ZINC000826295268 607717263 /nfs/dbraw/zinc/71/72/63/607717263.db2.gz ZQVATLVQLXDJBN-UHFFFAOYSA-N -1 1 392.810 2.234 20 0 GEADMM CCc1[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(C)c1C(=O)[O-] ZINC000830191862 604917218 /nfs/dbraw/zinc/91/72/18/604917218.db2.gz KFIPCWYSINNVAF-WMZOPIPTSA-N -1 1 399.491 2.197 20 0 GEADMM CCOCCN1CCN(C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)C[C@@H]1CC ZINC000827399242 604922182 /nfs/dbraw/zinc/92/21/82/604922182.db2.gz BURLXKBMTYGNEB-WMZOPIPTSA-N -1 1 383.533 2.362 20 0 GEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC3(CCOC3)CC2)cc(C(=O)[O-])c1 ZINC000833713071 604932505 /nfs/dbraw/zinc/93/25/05/604932505.db2.gz MPKAXMZJGWHEAD-ZDUSSCGKSA-N -1 1 390.436 2.001 20 0 GEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000833551841 604933180 /nfs/dbraw/zinc/93/31/80/604933180.db2.gz WUOOHWSPKLXQNQ-YOEHRIQHSA-N -1 1 375.473 2.049 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCC[C@H]3CNC(=O)[O-])n2)cc1 ZINC000830160305 604962852 /nfs/dbraw/zinc/96/28/52/604962852.db2.gz PSZVNZLQGFTRIP-UONOGXRCSA-N -1 1 389.481 2.425 20 0 GEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3CN(C)C(=O)[O-])n2)cc1 ZINC000830159845 604968189 /nfs/dbraw/zinc/96/81/89/604968189.db2.gz IOBWHVISNDRAHR-CQSZACIVSA-N -1 1 389.481 2.473 20 0 GEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)n[nH]1 ZINC000833512129 605018471 /nfs/dbraw/zinc/01/84/71/605018471.db2.gz ILNKRKMUWZOHIL-LLVKDONJSA-N -1 1 388.428 2.015 20 0 GEADMM COCC1(C)CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000833722761 605021455 /nfs/dbraw/zinc/02/14/55/605021455.db2.gz HRMOSPLFSVLWBO-GOSISDBHSA-N -1 1 387.480 2.028 20 0 GEADMM CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC000833512734 605023512 /nfs/dbraw/zinc/02/35/12/605023512.db2.gz SJFAFGDKZLIMAS-QMMMGPOBSA-N -1 1 379.804 2.096 20 0 GEADMM CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)[O-] ZINC000424439086 605028563 /nfs/dbraw/zinc/02/85/63/605028563.db2.gz SKEVAICFRCFQEM-VIFPVBQESA-N -1 1 382.367 2.302 20 0 GEADMM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000833389582 605042490 /nfs/dbraw/zinc/04/24/90/605042490.db2.gz PXZGSCXFHABWTD-SMDDNHRTSA-N -1 1 376.413 2.162 20 0 GEADMM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000833389581 605042666 /nfs/dbraw/zinc/04/26/66/605042666.db2.gz PXZGSCXFHABWTD-RISCZKNCSA-N -1 1 376.413 2.162 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc(Br)cs1 ZINC000833626866 605046525 /nfs/dbraw/zinc/04/65/25/605046525.db2.gz SETAXMNORNIZCO-JTQLQIEISA-N -1 1 390.303 2.201 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000833622650 605048115 /nfs/dbraw/zinc/04/81/15/605048115.db2.gz FKDWMXVPRHOQJQ-POAQFYNOSA-N -1 1 389.496 2.345 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000833767663 605079024 /nfs/dbraw/zinc/07/90/24/605079024.db2.gz LSYFZLDSNMASMS-LBPRGKRZSA-N -1 1 377.198 2.079 20 0 GEADMM C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H](C)CN1Cc1ccccc1 ZINC000646170030 605091139 /nfs/dbraw/zinc/09/11/39/605091139.db2.gz XFELSHJTLMPVJF-SJORKVTESA-N -1 1 389.496 2.172 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)c3cncc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000833629540 605100604 /nfs/dbraw/zinc/10/06/04/605100604.db2.gz KMQLQCSNSYGASH-GJZGRUSLSA-N -1 1 383.448 2.319 20 0 GEADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833539807 605101565 /nfs/dbraw/zinc/10/15/65/605101565.db2.gz HUPMGKZGAQSIBM-CHWSQXEVSA-N -1 1 399.285 2.224 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000833626129 605102521 /nfs/dbraw/zinc/10/25/21/605102521.db2.gz NYMUXKDYZAOUBP-CYBMUJFWSA-N -1 1 384.436 2.235 20 0 GEADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)c1)C(=O)[O-] ZINC000827167907 605122379 /nfs/dbraw/zinc/12/23/79/605122379.db2.gz QRPGFYTWCPFALB-HNNXBMFYSA-N -1 1 385.424 2.042 20 0 GEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])C[C@H]1C ZINC000833655899 605165010 /nfs/dbraw/zinc/16/50/10/605165010.db2.gz HFAFIXZYKCPSDC-CABCVRRESA-N -1 1 390.484 2.168 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000833618519 605168379 /nfs/dbraw/zinc/16/83/79/605168379.db2.gz BVCSISYCUZGEFN-OAHLLOKOSA-N -1 1 394.899 2.396 20 0 GEADMM C[C@H](c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1)[NH+]1CCOCC1 ZINC000833548346 605183683 /nfs/dbraw/zinc/18/36/83/605183683.db2.gz NSPVVHKIRXWCDT-GFCCVEGCSA-N -1 1 380.422 2.172 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833628621 605187514 /nfs/dbraw/zinc/18/75/14/605187514.db2.gz MDVHGXCTBQVTHX-LBPRGKRZSA-N -1 1 389.374 2.005 20 0 GEADMM CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1nc(-c2cccnc2)no1 ZINC000833470560 605199718 /nfs/dbraw/zinc/19/97/18/605199718.db2.gz KVTMXWVVVGVXBR-ZDUSSCGKSA-N -1 1 392.393 2.098 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000833599582 605208533 /nfs/dbraw/zinc/20/85/33/605208533.db2.gz YTFFYDKGQOBDOK-GUYCJALGSA-N -1 1 392.452 2.465 20 0 GEADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)CCN1Cc1ccccc1 ZINC000694151604 605208686 /nfs/dbraw/zinc/20/86/86/605208686.db2.gz LHWNRJZMWFGAOX-XJKSGUPXSA-N -1 1 378.450 2.309 20 0 GEADMM C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833540301 605274777 /nfs/dbraw/zinc/27/47/77/605274777.db2.gz SMVVYPLJUPGEMW-QWHCGFSZSA-N -1 1 399.285 2.224 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C[C@@H](c4cccc(F)c4)CC3=O)C[C@@H]21 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/nfs/dbraw/zinc/45/73/13/605457313.db2.gz BLWRQNGKVFCEAB-LBPRGKRZSA-N -1 1 375.400 2.009 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccsc3C(=O)[O-])CC2)CC1 ZINC000833604745 605471885 /nfs/dbraw/zinc/47/18/85/605471885.db2.gz UPIXFRJAUNZDOH-UHFFFAOYSA-N -1 1 379.482 2.108 20 0 GEADMM CCOCCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000825589859 607758691 /nfs/dbraw/zinc/75/86/91/607758691.db2.gz KUHQNAZLXCZGIA-UHFFFAOYSA-N -1 1 384.440 2.495 20 0 GEADMM CCOCCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000825589859 607758692 /nfs/dbraw/zinc/75/86/92/607758692.db2.gz KUHQNAZLXCZGIA-UHFFFAOYSA-N -1 1 384.440 2.495 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)NCc2ncccc2F)c1-c1nn[n-]n1 ZINC000826231181 607759031 /nfs/dbraw/zinc/75/90/31/607759031.db2.gz AKXIANNUHIJDGN-UHFFFAOYSA-N -1 1 385.428 2.325 20 0 GEADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000834055511 605540284 /nfs/dbraw/zinc/54/02/84/605540284.db2.gz TUPRNHOJGRFVTC-BBRMVZONSA-N -1 1 384.367 2.421 20 0 GEADMM Cc1noc(C)c1[C@H](C)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826338165 607765908 /nfs/dbraw/zinc/76/59/08/607765908.db2.gz MYNHBHDBZWOWHW-SECBINFHSA-N -1 1 399.455 2.041 20 0 GEADMM C[C@H](C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833791973 605618322 /nfs/dbraw/zinc/61/83/22/605618322.db2.gz XDLYFVYURSIXEY-BONVTDFDSA-N -1 1 381.392 2.245 20 0 GEADMM O=C([O-])N1CC[C@]2(C1)C[C@H](NCCNC(=O)c1ccco1)c1ccccc1O2 ZINC000834042628 605629580 /nfs/dbraw/zinc/62/95/80/605629580.db2.gz ZVCNAXALSDJTKK-MGPUTAFESA-N -1 1 385.420 2.245 20 0 GEADMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824884322 607767765 /nfs/dbraw/zinc/76/77/65/607767765.db2.gz NIDRCTYMYWRQIJ-GHMZBOCLSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824884322 607767766 /nfs/dbraw/zinc/76/77/66/607767766.db2.gz NIDRCTYMYWRQIJ-GHMZBOCLSA-N -1 1 392.485 2.304 20 0 GEADMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824884323 607768009 /nfs/dbraw/zinc/76/80/09/607768009.db2.gz NIDRCTYMYWRQIJ-MNOVXSKESA-N -1 1 392.485 2.304 20 0 GEADMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824884323 607768010 /nfs/dbraw/zinc/76/80/10/607768010.db2.gz NIDRCTYMYWRQIJ-MNOVXSKESA-N -1 1 392.485 2.304 20 0 GEADMM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC(CCN(C)C(=O)[O-])CC2)c1 ZINC000833878673 605652316 /nfs/dbraw/zinc/65/23/16/605652316.db2.gz ZTHSFTRSNXGKII-AWEZNQCLSA-N -1 1 390.484 2.085 20 0 GEADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000831730603 605684115 /nfs/dbraw/zinc/68/41/15/605684115.db2.gz JQRVPAGYEUIMRT-KRWDZBQOSA-N -1 1 377.404 2.365 20 0 GEADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000831730603 605684118 /nfs/dbraw/zinc/68/41/18/605684118.db2.gz JQRVPAGYEUIMRT-KRWDZBQOSA-N -1 1 377.404 2.365 20 0 GEADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000831730604 605684143 /nfs/dbraw/zinc/68/41/43/605684143.db2.gz JQRVPAGYEUIMRT-QGZVFWFLSA-N -1 1 377.404 2.365 20 0 GEADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000831730604 605684147 /nfs/dbraw/zinc/68/41/47/605684147.db2.gz JQRVPAGYEUIMRT-QGZVFWFLSA-N -1 1 377.404 2.365 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4cc[nH]c4n3)cc2)n1 ZINC000834246966 605698595 /nfs/dbraw/zinc/69/85/95/605698595.db2.gz LKMVSONJRVRVMS-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4cc[nH]c4n3)cc2)n[nH]1 ZINC000834246966 605698599 /nfs/dbraw/zinc/69/85/99/605698599.db2.gz LKMVSONJRVRVMS-UHFFFAOYSA-N -1 1 377.364 2.368 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@]1(C)CCCN1C(=O)[O-] ZINC000833862149 605704920 /nfs/dbraw/zinc/70/49/20/605704920.db2.gz RLWUEZPQPYOXNH-FQEVSTJZSA-N -1 1 390.484 2.308 20 0 GEADMM O=C([O-])N[C@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000834159609 605795373 /nfs/dbraw/zinc/79/53/73/605795373.db2.gz QPZUDTNZYWCHHW-IRXDYDNUSA-N -1 1 375.450 2.008 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834211174 605822535 /nfs/dbraw/zinc/82/25/35/605822535.db2.gz ACHKXSGHSBEIMD-ZNMIVQPWSA-N -1 1 390.488 2.398 20 0 GEADMM O=C([O-])NC1(C(=O)N2CCC(CCCN3CCOCC3)CC2)CCCCC1 ZINC000834151177 605852974 /nfs/dbraw/zinc/85/29/74/605852974.db2.gz DXKNIOJDPVZUHA-UHFFFAOYSA-N -1 1 381.517 2.308 20 0 GEADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CN1Cc1ccccc1 ZINC000833596177 605939012 /nfs/dbraw/zinc/93/90/12/605939012.db2.gz JGFKHTRPWWKGDR-ZFWWWQNUSA-N -1 1 399.422 2.242 20 0 GEADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000834093927 605942145 /nfs/dbraw/zinc/94/21/45/605942145.db2.gz TVOIGCZWNWOAKJ-PMPSAXMXSA-N -1 1 376.457 2.343 20 0 GEADMM O=C([O-])N1CCSC[C@@H]1CC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000833989353 605975352 /nfs/dbraw/zinc/97/53/52/605975352.db2.gz VICMDQOWYVSFGL-HNNXBMFYSA-N -1 1 393.509 2.067 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H]1NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000834172513 605985879 /nfs/dbraw/zinc/98/58/79/605985879.db2.gz BGNOUBYSIFCFTH-JKSUJKDBSA-N -1 1 381.498 2.140 20 0 GEADMM CCCN(CCNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)C(=O)[O-] ZINC000833854966 605993214 /nfs/dbraw/zinc/99/32/14/605993214.db2.gz INVLXPMRJBSNPI-UHFFFAOYSA-N -1 1 377.489 2.258 20 0 GEADMM CCO[C@H](CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC000821351223 606030894 /nfs/dbraw/zinc/03/08/94/606030894.db2.gz NJVKMYBZOCPBNA-OAHLLOKOSA-N -1 1 390.488 2.084 20 0 GEADMM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000833825187 606039006 /nfs/dbraw/zinc/03/90/06/606039006.db2.gz BNGYYKYIFIQVGR-SCLBCKFNSA-N -1 1 375.404 2.444 20 0 GEADMM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000833825187 606039011 /nfs/dbraw/zinc/03/90/11/606039011.db2.gz BNGYYKYIFIQVGR-SCLBCKFNSA-N -1 1 375.404 2.444 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(Cl)cn1 ZINC000820512304 606133418 /nfs/dbraw/zinc/13/34/18/606133418.db2.gz JJRXJJMJJJXSCZ-SSDOTTSWSA-N -1 1 378.801 2.161 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(Cl)cn1 ZINC000820512304 606133419 /nfs/dbraw/zinc/13/34/19/606133419.db2.gz JJRXJJMJJJXSCZ-SSDOTTSWSA-N -1 1 378.801 2.161 20 0 GEADMM COCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000821694175 606136694 /nfs/dbraw/zinc/13/66/94/606136694.db2.gz AWEUMAFXQBDCGN-UHFFFAOYSA-N -1 1 389.437 2.033 20 0 GEADMM COCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000821694175 606136695 /nfs/dbraw/zinc/13/66/95/606136695.db2.gz AWEUMAFXQBDCGN-UHFFFAOYSA-N -1 1 389.437 2.033 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCCC1=CCCCC1 ZINC000820512982 606137319 /nfs/dbraw/zinc/13/73/19/606137319.db2.gz RJFMELRCVYMNKT-LLVKDONJSA-N -1 1 375.454 2.480 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCCC1=CCCCC1 ZINC000820512982 606137320 /nfs/dbraw/zinc/13/73/20/606137320.db2.gz RJFMELRCVYMNKT-LLVKDONJSA-N -1 1 375.454 2.480 20 0 GEADMM CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)on1 ZINC000819959018 606138822 /nfs/dbraw/zinc/13/88/22/606138822.db2.gz VBCHVHMRTYQHNE-UHFFFAOYSA-N -1 1 376.398 2.009 20 0 GEADMM CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)on1 ZINC000819959018 606138825 /nfs/dbraw/zinc/13/88/25/606138825.db2.gz VBCHVHMRTYQHNE-UHFFFAOYSA-N -1 1 376.398 2.009 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614877 606156451 /nfs/dbraw/zinc/15/64/51/606156451.db2.gz VURVZRZOTIEGJM-CABZTGNLSA-N -1 1 392.345 2.297 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000822614877 606156453 /nfs/dbraw/zinc/15/64/53/606156453.db2.gz VURVZRZOTIEGJM-CABZTGNLSA-N -1 1 392.345 2.297 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000820380128 606164010 /nfs/dbraw/zinc/16/40/10/606164010.db2.gz LSIYWENXNCVQGR-JTQLQIEISA-N -1 1 379.384 2.138 20 0 GEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000820380128 606164011 /nfs/dbraw/zinc/16/40/11/606164011.db2.gz LSIYWENXNCVQGR-JTQLQIEISA-N -1 1 379.384 2.138 20 0 GEADMM FC(F)(F)c1cccc([C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)c1 ZINC000822728734 606164952 /nfs/dbraw/zinc/16/49/52/606164952.db2.gz LIQOIYBMSZXZCC-LBPRGKRZSA-N -1 1 377.330 2.253 20 0 GEADMM FC(F)(F)c1cccc([C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)c1 ZINC000822728734 606164953 /nfs/dbraw/zinc/16/49/53/606164953.db2.gz LIQOIYBMSZXZCC-LBPRGKRZSA-N -1 1 377.330 2.253 20 0 GEADMM Cc1nn2cc(CCCOC(=O)c3ccc(-c4nnn[n-]4)s3)cnc2c1C ZINC000822505526 606177529 /nfs/dbraw/zinc/17/75/29/606177529.db2.gz MUKNGWIXUBUQFF-UHFFFAOYSA-N -1 1 383.437 2.377 20 0 GEADMM Cc1nn2cc(CCCOC(=O)c3ccc(-c4nn[n-]n4)s3)cnc2c1C ZINC000822505526 606177530 /nfs/dbraw/zinc/17/75/30/606177530.db2.gz MUKNGWIXUBUQFF-UHFFFAOYSA-N -1 1 383.437 2.377 20 0 GEADMM O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397368 606181004 /nfs/dbraw/zinc/18/10/04/606181004.db2.gz WFRXBJICHQFBGG-CYBMUJFWSA-N -1 1 383.433 2.134 20 0 GEADMM O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397368 606181005 /nfs/dbraw/zinc/18/10/05/606181005.db2.gz WFRXBJICHQFBGG-CYBMUJFWSA-N -1 1 383.433 2.134 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823290227 606195882 /nfs/dbraw/zinc/19/58/82/606195882.db2.gz VBNGKOZJZGKBLX-OAHLLOKOSA-N -1 1 392.419 2.063 20 0 GEADMM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000820669160 606196450 /nfs/dbraw/zinc/19/64/50/606196450.db2.gz ZFRIFRLJOZNYGN-IINYFYTJSA-N -1 1 378.392 2.419 20 0 GEADMM Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C[C@H](C)O2 ZINC000822280474 606202502 /nfs/dbraw/zinc/20/25/02/606202502.db2.gz OWSWMHKEPDVTHH-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM COC(=O)/C(C)=C\COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000821638829 606226490 /nfs/dbraw/zinc/22/64/90/606226490.db2.gz JCXKBZJJFRXNGG-TWGQIWQCSA-N -1 1 389.437 2.137 20 0 GEADMM COC(=O)/C(C)=C\COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821638829 606226492 /nfs/dbraw/zinc/22/64/92/606226492.db2.gz JCXKBZJJFRXNGG-TWGQIWQCSA-N -1 1 389.437 2.137 20 0 GEADMM Cc1cccc(N2C[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)c1C ZINC000822308233 606292799 /nfs/dbraw/zinc/29/27/99/606292799.db2.gz AQOOGSBJXJRARH-AWEZNQCLSA-N -1 1 392.419 2.181 20 0 GEADMM Cc1ccc(N2CCC(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2)nc1 ZINC000822240978 606292946 /nfs/dbraw/zinc/29/29/46/606292946.db2.gz HHEZKPYYWDXJDF-UHFFFAOYSA-N -1 1 379.424 2.131 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819933248 606294866 /nfs/dbraw/zinc/29/48/66/606294866.db2.gz LAOCCQQUBXNWBX-GFCCVEGCSA-N -1 1 388.428 2.300 20 0 GEADMM CCS[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821457428 606325836 /nfs/dbraw/zinc/32/58/36/606325836.db2.gz WOLHZSRXNZXMRJ-ZIAGYGMSSA-N -1 1 390.513 2.307 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)CCOCC2CC2)c1-c1nn[n-]n1 ZINC000822487072 606381475 /nfs/dbraw/zinc/38/14/75/606381475.db2.gz ZWJGLWRFJOMSBJ-UHFFFAOYSA-N -1 1 382.424 2.221 20 0 GEADMM CC[C@H](C)N1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000820876152 606393412 /nfs/dbraw/zinc/39/34/12/606393412.db2.gz MNCJVANHQRLPKD-SDBXPKJASA-N -1 1 376.442 2.240 20 0 GEADMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1C ZINC000821033654 606393648 /nfs/dbraw/zinc/39/36/48/606393648.db2.gz CYNFIGMTERHCLL-CYBMUJFWSA-N -1 1 376.442 2.242 20 0 GEADMM CCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OCC(C)C)=C1C ZINC000821241219 606393722 /nfs/dbraw/zinc/39/37/22/606393722.db2.gz KYLZCWKYPAFWJX-CQSZACIVSA-N -1 1 390.469 2.488 20 0 GEADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000820770165 606432526 /nfs/dbraw/zinc/43/25/26/606432526.db2.gz ZDNGWWDGOUURPB-IUCAKERBSA-N -1 1 375.376 2.162 20 0 GEADMM Cn1c(=O)c2ccsc2nc1Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822604943 606440607 /nfs/dbraw/zinc/44/06/07/606440607.db2.gz RIWBFQAEWYSWKX-UHFFFAOYSA-N -1 1 377.842 2.375 20 0 GEADMM Cn1c(=O)c2ccsc2nc1Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822604943 606440608 /nfs/dbraw/zinc/44/06/08/606440608.db2.gz RIWBFQAEWYSWKX-UHFFFAOYSA-N -1 1 377.842 2.375 20 0 GEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000820455246 606442714 /nfs/dbraw/zinc/44/27/14/606442714.db2.gz FWJSYSRPUCSOJU-LLVKDONJSA-N -1 1 395.448 2.235 20 0 GEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000820455246 606442715 /nfs/dbraw/zinc/44/27/15/606442715.db2.gz FWJSYSRPUCSOJU-LLVKDONJSA-N -1 1 395.448 2.235 20 0 GEADMM CC(C)[C@@H](CCN(C)c1nccnc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820021508 606478420 /nfs/dbraw/zinc/47/84/20/606478420.db2.gz VSMLMPHVXDYPPP-GFCCVEGCSA-N -1 1 376.465 2.032 20 0 GEADMM CC(C)[C@@H](CCN(C)c1nccnc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820021508 606478422 /nfs/dbraw/zinc/47/84/22/606478422.db2.gz VSMLMPHVXDYPPP-GFCCVEGCSA-N -1 1 376.465 2.032 20 0 GEADMM Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822694250 606495915 /nfs/dbraw/zinc/49/59/15/606495915.db2.gz ZTZMTLQZLDZZMX-UHFFFAOYSA-N -1 1 379.405 2.145 20 0 GEADMM Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822694250 606495917 /nfs/dbraw/zinc/49/59/17/606495917.db2.gz ZTZMTLQZLDZZMX-UHFFFAOYSA-N -1 1 379.405 2.145 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cn2)C[C@H](C)O1 ZINC000820776255 606511049 /nfs/dbraw/zinc/51/10/49/606511049.db2.gz LHBGMEDWERSRHF-QWRGUYRKSA-N -1 1 385.453 2.189 20 0 GEADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)C[C@H](C)O1 ZINC000820776255 606511050 /nfs/dbraw/zinc/51/10/50/606511050.db2.gz LHBGMEDWERSRHF-QWRGUYRKSA-N -1 1 385.453 2.189 20 0 GEADMM O=C(CCC1CCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822950515 606523359 /nfs/dbraw/zinc/52/33/59/606523359.db2.gz RGLKLDVXQJXEED-UHFFFAOYSA-N -1 1 397.439 2.344 20 0 GEADMM COC(=O)C1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCCC1 ZINC000821653439 606524773 /nfs/dbraw/zinc/52/47/73/606524773.db2.gz BHSQYTKRLIWECU-UHFFFAOYSA-N -1 1 398.423 2.022 20 0 GEADMM COC(=O)C1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCCC1 ZINC000821653439 606524775 /nfs/dbraw/zinc/52/47/75/606524775.db2.gz BHSQYTKRLIWECU-UHFFFAOYSA-N -1 1 398.423 2.022 20 0 GEADMM O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823201396 606525181 /nfs/dbraw/zinc/52/51/81/606525181.db2.gz IANFIEUTBCFMMU-UHFFFAOYSA-N -1 1 383.359 2.184 20 0 GEADMM O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823201396 606525183 /nfs/dbraw/zinc/52/51/83/606525183.db2.gz IANFIEUTBCFMMU-UHFFFAOYSA-N -1 1 383.359 2.184 20 0 GEADMM COc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1OCc1ccccc1 ZINC000821702977 606530853 /nfs/dbraw/zinc/53/08/53/606530853.db2.gz JMSUTPXGNDPNFM-UHFFFAOYSA-N -1 1 391.391 2.430 20 0 GEADMM COc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1OCc1ccccc1 ZINC000821702977 606530855 /nfs/dbraw/zinc/53/08/55/606530855.db2.gz JMSUTPXGNDPNFM-UHFFFAOYSA-N -1 1 391.391 2.430 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819940305 606534022 /nfs/dbraw/zinc/53/40/22/606534022.db2.gz WJGFSCYUHIHANO-LLVKDONJSA-N -1 1 392.485 2.305 20 0 GEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819940305 606534024 /nfs/dbraw/zinc/53/40/24/606534024.db2.gz WJGFSCYUHIHANO-LLVKDONJSA-N -1 1 392.485 2.305 20 0 GEADMM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821056823 606540506 /nfs/dbraw/zinc/54/05/06/606540506.db2.gz YJGVKKJHODPVID-CYBMUJFWSA-N -1 1 390.513 2.477 20 0 GEADMM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821056823 606540508 /nfs/dbraw/zinc/54/05/08/606540508.db2.gz YJGVKKJHODPVID-CYBMUJFWSA-N -1 1 390.513 2.477 20 0 GEADMM CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819928738 606546652 /nfs/dbraw/zinc/54/66/52/606546652.db2.gz WGHNIAOKTNLSNG-UHFFFAOYSA-N -1 1 378.458 2.058 20 0 GEADMM CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819928738 606546654 /nfs/dbraw/zinc/54/66/54/606546654.db2.gz WGHNIAOKTNLSNG-UHFFFAOYSA-N -1 1 378.458 2.058 20 0 GEADMM O=C(CC1CCCC1)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822940708 606557258 /nfs/dbraw/zinc/55/72/58/606557258.db2.gz BEYVQRCWQGVGJR-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM O=C(CC1CCCC1)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822940708 606557259 /nfs/dbraw/zinc/55/72/59/606557259.db2.gz BEYVQRCWQGVGJR-UHFFFAOYSA-N -1 1 388.497 2.229 20 0 GEADMM O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823431268 606558211 /nfs/dbraw/zinc/55/82/11/606558211.db2.gz OILKPCXFHGTDHS-CYBMUJFWSA-N -1 1 383.433 2.276 20 0 GEADMM O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823431268 606558213 /nfs/dbraw/zinc/55/82/13/606558213.db2.gz OILKPCXFHGTDHS-CYBMUJFWSA-N -1 1 383.433 2.276 20 0 GEADMM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819939492 606569482 /nfs/dbraw/zinc/56/94/82/606569482.db2.gz DKLBUVSFVLUQGW-UHFFFAOYSA-N -1 1 392.485 2.494 20 0 GEADMM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819939492 606569484 /nfs/dbraw/zinc/56/94/84/606569484.db2.gz DKLBUVSFVLUQGW-UHFFFAOYSA-N -1 1 392.485 2.494 20 0 GEADMM COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000821854734 606577660 /nfs/dbraw/zinc/57/76/60/606577660.db2.gz SZJWQDKHJIHLAN-VIFPVBQESA-N -1 1 397.420 2.478 20 0 GEADMM COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000821854734 606577662 /nfs/dbraw/zinc/57/76/62/606577662.db2.gz SZJWQDKHJIHLAN-VIFPVBQESA-N -1 1 397.420 2.478 20 0 GEADMM C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000736121532 606580694 /nfs/dbraw/zinc/58/06/94/606580694.db2.gz CXYNKPHMTZLISL-LLVKDONJSA-N -1 1 398.398 2.005 20 0 GEADMM C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000736121532 606580696 /nfs/dbraw/zinc/58/06/96/606580696.db2.gz CXYNKPHMTZLISL-LLVKDONJSA-N -1 1 398.398 2.005 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821970153 606585021 /nfs/dbraw/zinc/58/50/21/606585021.db2.gz JEMOHEFUNOFJBK-RYUDHWBXSA-N -1 1 392.510 2.189 20 0 GEADMM Cn1ccc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)cc1=O ZINC000822688849 606597069 /nfs/dbraw/zinc/59/70/69/606597069.db2.gz AZLBWZNQNCQLSX-UHFFFAOYSA-N -1 1 375.392 2.365 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000822152354 606625372 /nfs/dbraw/zinc/62/53/72/606625372.db2.gz HEICPKKWJDTORY-UHFFFAOYSA-N -1 1 383.433 2.495 20 0 GEADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H](c3ccco3)C2)c(-c2nn[n-]n2)c1C ZINC000822542026 606632221 /nfs/dbraw/zinc/63/22/21/606632221.db2.gz SOGCFUDUPHFREE-SMDDNHRTSA-N -1 1 386.412 2.070 20 0 GEADMM COc1cc2[nH]c(CCCNc3nccnc3-c3nnn[n-]3)cc2c(OC)c1 ZINC000821723762 606633956 /nfs/dbraw/zinc/63/39/56/606633956.db2.gz JFJYZOLOTOZTOR-UHFFFAOYSA-N -1 1 380.412 2.200 20 0 GEADMM COc1cc2[nH]c(CCCNc3nccnc3-c3nn[n-]n3)cc2c(OC)c1 ZINC000821723762 606633957 /nfs/dbraw/zinc/63/39/57/606633957.db2.gz JFJYZOLOTOZTOR-UHFFFAOYSA-N -1 1 380.412 2.200 20 0 GEADMM COCCn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000821695333 606650206 /nfs/dbraw/zinc/65/02/06/606650206.db2.gz SRZOIZRJRKCLCU-UHFFFAOYSA-N -1 1 378.392 2.220 20 0 GEADMM COCCn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000821695333 606650207 /nfs/dbraw/zinc/65/02/07/606650207.db2.gz SRZOIZRJRKCLCU-UHFFFAOYSA-N -1 1 378.392 2.220 20 0 GEADMM COc1ccc(Cl)cc1NCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821828196 606651834 /nfs/dbraw/zinc/65/18/34/606651834.db2.gz RNLGMBZZHCOYQV-UHFFFAOYSA-N -1 1 388.815 2.469 20 0 GEADMM COc1ccc(Cl)cc1NCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821828196 606651835 /nfs/dbraw/zinc/65/18/35/606651835.db2.gz RNLGMBZZHCOYQV-UHFFFAOYSA-N -1 1 388.815 2.469 20 0 GEADMM O=C(CCc1nc(-c2ccsc2)no1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986581 606652118 /nfs/dbraw/zinc/65/21/18/606652118.db2.gz HTELWPYKBJOOOG-UHFFFAOYSA-N -1 1 383.393 2.049 20 0 GEADMM O=C(CCc1nc(-c2ccsc2)no1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986581 606652119 /nfs/dbraw/zinc/65/21/19/606652119.db2.gz HTELWPYKBJOOOG-UHFFFAOYSA-N -1 1 383.393 2.049 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OCC(F)(F)F)c1 ZINC000822238399 606688868 /nfs/dbraw/zinc/68/88/68/606688868.db2.gz GKGIGQPHBLJADJ-UHFFFAOYSA-N -1 1 392.341 2.441 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OCC(F)(F)F)c1 ZINC000822238399 606688869 /nfs/dbraw/zinc/68/88/69/606688869.db2.gz GKGIGQPHBLJADJ-UHFFFAOYSA-N -1 1 392.341 2.441 20 0 GEADMM COc1ccc(-n2cc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)nn2)cc1 ZINC000821770506 606725371 /nfs/dbraw/zinc/72/53/71/606725371.db2.gz VNIDNFHSPFTMJS-UHFFFAOYSA-N -1 1 383.803 2.117 20 0 GEADMM COc1ccc(-n2cc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)nn2)cc1 ZINC000821770506 606725372 /nfs/dbraw/zinc/72/53/72/606725372.db2.gz VNIDNFHSPFTMJS-UHFFFAOYSA-N -1 1 383.803 2.117 20 0 GEADMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)ccc1Cl ZINC000823387367 606763811 /nfs/dbraw/zinc/76/38/11/606763811.db2.gz IYDYCXOEKPZWFQ-UHFFFAOYSA-N -1 1 397.775 2.158 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCc2cc(F)c(F)cc21 ZINC000823606231 606763844 /nfs/dbraw/zinc/76/38/44/606763844.db2.gz HCWGPXFCZWFBHA-UHFFFAOYSA-N -1 1 395.366 2.426 20 0 GEADMM O=S(=O)([N-]c1cc(C2CCCCCC2)n[nH]1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823583702 606780193 /nfs/dbraw/zinc/78/01/93/606780193.db2.gz YPXUVOHBHWNHAZ-UHFFFAOYSA-N -1 1 388.457 2.223 20 0 GEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCC1(c2ccccc2)CCCCC1 ZINC000823123389 606825936 /nfs/dbraw/zinc/82/59/36/606825936.db2.gz XXLOCSLEPFSGKX-UHFFFAOYSA-N -1 1 392.463 2.047 20 0 GEADMM CN(CC1CC1)C(=O)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821596518 606826929 /nfs/dbraw/zinc/82/69/29/606826929.db2.gz MKEIHFGHNVZXMV-UHFFFAOYSA-N -1 1 379.424 2.334 20 0 GEADMM CC[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820972338 606827897 /nfs/dbraw/zinc/82/78/97/606827897.db2.gz NGIKHEXBODEVCV-CZUORRHYSA-N -1 1 382.472 2.154 20 0 GEADMM CC[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820972338 606827899 /nfs/dbraw/zinc/82/78/99/606827899.db2.gz NGIKHEXBODEVCV-CZUORRHYSA-N -1 1 382.472 2.154 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)c1 ZINC000822248863 606831868 /nfs/dbraw/zinc/83/18/68/606831868.db2.gz QVTIQRULWIYEOT-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)c1 ZINC000822248863 606831869 /nfs/dbraw/zinc/83/18/69/606831869.db2.gz QVTIQRULWIYEOT-AWEZNQCLSA-N -1 1 393.455 2.016 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2[nH]c3ccccc3c2C1 ZINC000823606105 606841552 /nfs/dbraw/zinc/84/15/52/606841552.db2.gz FIKXFYRVQSIBLT-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000823601218 606844446 /nfs/dbraw/zinc/84/44/46/606844446.db2.gz WTBFIXAHXOPXNN-GFCCVEGCSA-N -1 1 391.403 2.323 20 0 GEADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCCC1 ZINC000820062742 606854569 /nfs/dbraw/zinc/85/45/69/606854569.db2.gz OCAFUTBBCHBDJA-HNNXBMFYSA-N -1 1 398.515 2.300 20 0 GEADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCCC1 ZINC000820062742 606854571 /nfs/dbraw/zinc/85/45/71/606854571.db2.gz OCAFUTBBCHBDJA-HNNXBMFYSA-N -1 1 398.515 2.300 20 0 GEADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)cc2F)c1 ZINC000129710961 606863506 /nfs/dbraw/zinc/86/35/06/606863506.db2.gz VWQJOPGXLFXZNX-UHFFFAOYSA-N -1 1 399.411 2.301 20 0 GEADMM CCc1nnc(Sc2nc3nc(C)c(C)c(C)n3n2)c(-c2nn[n-]n2)c1CC ZINC000821547859 606922521 /nfs/dbraw/zinc/92/25/21/606922521.db2.gz DQODYCLEHXKOLJ-UHFFFAOYSA-N -1 1 396.484 2.296 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000737548002 606932737 /nfs/dbraw/zinc/93/27/37/606932737.db2.gz NESAKZLCTIUGOU-SNVBAGLBSA-N -1 1 386.412 2.019 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000737548002 606932740 /nfs/dbraw/zinc/93/27/40/606932740.db2.gz NESAKZLCTIUGOU-SNVBAGLBSA-N -1 1 386.412 2.019 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@@H](c3ccsc3)C2)c(-c2nn[n-]n2)c1C ZINC000822548802 606982715 /nfs/dbraw/zinc/98/27/15/606982715.db2.gz OGFPNSLBMKBGPH-CYBMUJFWSA-N -1 1 388.453 2.150 20 0 GEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000823380417 607024550 /nfs/dbraw/zinc/02/45/50/607024550.db2.gz XEZBYQKFGJEVPG-UHFFFAOYSA-N -1 1 396.436 2.320 20 0 GEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000823380417 607024552 /nfs/dbraw/zinc/02/45/52/607024552.db2.gz XEZBYQKFGJEVPG-UHFFFAOYSA-N -1 1 396.436 2.320 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000822535183 607077381 /nfs/dbraw/zinc/07/73/81/607077381.db2.gz IWJBYWUHZBUFMI-VBKZILBWSA-N -1 1 396.451 2.326 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000822535183 607077382 /nfs/dbraw/zinc/07/73/82/607077382.db2.gz IWJBYWUHZBUFMI-VBKZILBWSA-N -1 1 396.451 2.326 20 0 GEADMM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822345995 607104701 /nfs/dbraw/zinc/10/47/01/607104701.db2.gz ZEQWPOUVGIKONK-ZDUSSCGKSA-N -1 1 399.480 2.415 20 0 GEADMM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822345995 607104702 /nfs/dbraw/zinc/10/47/02/607104702.db2.gz ZEQWPOUVGIKONK-ZDUSSCGKSA-N -1 1 399.480 2.415 20 0 GEADMM O=C(O[C@@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823392987 607112790 /nfs/dbraw/zinc/11/27/90/607112790.db2.gz VLMNZLZRIFSTJI-OAHLLOKOSA-N -1 1 397.366 2.234 20 0 GEADMM O=C(O[C@@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823392987 607112791 /nfs/dbraw/zinc/11/27/91/607112791.db2.gz VLMNZLZRIFSTJI-OAHLLOKOSA-N -1 1 397.366 2.234 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000822224016 607112962 /nfs/dbraw/zinc/11/29/62/607112962.db2.gz SMZQTHMCKIIWJK-UHFFFAOYSA-N -1 1 377.401 2.324 20 0 GEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000822153041 607112964 /nfs/dbraw/zinc/11/29/64/607112964.db2.gz KOQZNSGIIGOJHN-UHFFFAOYSA-N -1 1 377.401 2.324 20 0 GEADMM Cc1oc(NC(=O)CN2CCO[C@](C)(c3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000822549194 607123441 /nfs/dbraw/zinc/12/34/41/607123441.db2.gz VJDCTCQIVIMSKR-FQEVSTJZSA-N -1 1 396.451 2.263 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2cccc(C)n2)cc1-c1nn[n-]n1 ZINC000821971243 607159523 /nfs/dbraw/zinc/15/95/23/607159523.db2.gz ZMWKDAOQPGOCKZ-AWEZNQCLSA-N -1 1 397.464 2.370 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](CCO)c1cccs1 ZINC000822534919 607187165 /nfs/dbraw/zinc/18/71/65/607187165.db2.gz CBBIWKWHLMGCRQ-LBPRGKRZSA-N -1 1 398.448 2.474 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](CCO)c1cccs1 ZINC000822534919 607187166 /nfs/dbraw/zinc/18/71/66/607187166.db2.gz CBBIWKWHLMGCRQ-LBPRGKRZSA-N -1 1 398.448 2.474 20 0 GEADMM NC(=O)C1(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nn[n-]n3)c2)CC1 ZINC000822858514 607223134 /nfs/dbraw/zinc/22/31/34/607223134.db2.gz BCQLYOSRANTICU-UHFFFAOYSA-N -1 1 398.810 2.060 20 0 GEADMM Cc1ccc(OCCCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000822263345 607239169 /nfs/dbraw/zinc/23/91/69/607239169.db2.gz NHSFKORYGCBMSJ-UHFFFAOYSA-N -1 1 375.820 2.360 20 0 GEADMM Cc1ccc(OCCCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000822263345 607239170 /nfs/dbraw/zinc/23/91/70/607239170.db2.gz NHSFKORYGCBMSJ-UHFFFAOYSA-N -1 1 375.820 2.360 20 0 GEADMM CC(C)N(CCc1nccs1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824293797 607818238 /nfs/dbraw/zinc/81/82/38/607818238.db2.gz XLWHQLPQBJHPLM-UHFFFAOYSA-N -1 1 396.473 2.104 20 0 GEADMM Fc1cccc(OCc2nc(-c3ccc4c(c3)OCO4)no2)c1-c1nnn[n-]1 ZINC000826377748 607864599 /nfs/dbraw/zinc/86/45/99/607864599.db2.gz DUWSBKLDBCLPNR-UHFFFAOYSA-N -1 1 382.311 2.364 20 0 GEADMM Fc1cccc(OCc2nc(-c3ccc4c(c3)OCO4)no2)c1-c1nn[n-]n1 ZINC000826377748 607864600 /nfs/dbraw/zinc/86/46/00/607864600.db2.gz DUWSBKLDBCLPNR-UHFFFAOYSA-N -1 1 382.311 2.364 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)ccc1C ZINC000823999956 607867456 /nfs/dbraw/zinc/86/74/56/607867456.db2.gz OPJXCKURLYRCJT-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM CC(=O)Nc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)ccc1C ZINC000823999956 607867457 /nfs/dbraw/zinc/86/74/57/607867457.db2.gz OPJXCKURLYRCJT-UHFFFAOYSA-N -1 1 391.384 2.040 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)nc1Cl ZINC000826493431 607868135 /nfs/dbraw/zinc/86/81/35/607868135.db2.gz KFGNXTUMZHHAFR-UHFFFAOYSA-N -1 1 390.183 2.475 20 0 GEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)nc1Cl ZINC000826493431 607868136 /nfs/dbraw/zinc/86/81/36/607868136.db2.gz KFGNXTUMZHHAFR-UHFFFAOYSA-N -1 1 390.183 2.475 20 0 GEADMM COc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826180001 607868472 /nfs/dbraw/zinc/86/84/72/607868472.db2.gz OMWYGQHWNLLVRR-UHFFFAOYSA-N -1 1 384.776 2.436 20 0 GEADMM COc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826180001 607868473 /nfs/dbraw/zinc/86/84/73/607868473.db2.gz OMWYGQHWNLLVRR-UHFFFAOYSA-N -1 1 384.776 2.436 20 0 GEADMM CCOc1ccc(C[C@H](CNc2cccc(-c3nnn[n-]3)n2)C(=O)OC)cc1 ZINC000825638645 607897958 /nfs/dbraw/zinc/89/79/58/607897958.db2.gz MUOAUGNDIIMZQN-CQSZACIVSA-N -1 1 382.424 2.104 20 0 GEADMM CCOc1ccc(C[C@H](CNc2cccc(-c3nn[n-]n3)n2)C(=O)OC)cc1 ZINC000825638645 607897959 /nfs/dbraw/zinc/89/79/59/607897959.db2.gz MUOAUGNDIIMZQN-CQSZACIVSA-N -1 1 382.424 2.104 20 0 GEADMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826328739 607910931 /nfs/dbraw/zinc/91/09/31/607910931.db2.gz AXQHRAWUHUJSRK-OAHLLOKOSA-N -1 1 388.435 2.225 20 0 GEADMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826328739 607910932 /nfs/dbraw/zinc/91/09/32/607910932.db2.gz AXQHRAWUHUJSRK-OAHLLOKOSA-N -1 1 388.435 2.225 20 0 GEADMM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826332879 607930596 /nfs/dbraw/zinc/93/05/96/607930596.db2.gz LHAMRSTZPSVAHQ-UHFFFAOYSA-N -1 1 387.469 2.397 20 0 GEADMM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826332879 607930597 /nfs/dbraw/zinc/93/05/97/607930597.db2.gz LHAMRSTZPSVAHQ-UHFFFAOYSA-N -1 1 387.469 2.397 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1c(C)noc1C ZINC000825148369 607938983 /nfs/dbraw/zinc/93/89/83/607938983.db2.gz QCAQYAKEDJITOR-GFCCVEGCSA-N -1 1 380.405 2.040 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000826451117 607997226 /nfs/dbraw/zinc/99/72/26/607997226.db2.gz QUQFPMIECIBIPX-ZDUSSCGKSA-N -1 1 398.448 2.267 20 0 GEADMM CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825044974 607997363 /nfs/dbraw/zinc/99/73/63/607997363.db2.gz WXKVOZHBNGRGGR-GOSISDBHSA-N -1 1 390.444 2.452 20 0 GEADMM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826328337 607997477 /nfs/dbraw/zinc/99/74/77/607997477.db2.gz OBMHNQZNRAAZSX-UHFFFAOYSA-N -1 1 378.396 2.459 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103641 607997739 /nfs/dbraw/zinc/99/77/39/607997739.db2.gz FGVXVZBNVQVLTM-CYBMUJFWSA-N -1 1 388.428 2.300 20 0 GEADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824236456 607998501 /nfs/dbraw/zinc/99/85/01/607998501.db2.gz NWPPLMVNKRRVQV-CYBMUJFWSA-N -1 1 390.444 2.450 20 0 GEADMM CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824167770 607999034 /nfs/dbraw/zinc/99/90/34/607999034.db2.gz USNXMQUROBHYIL-UHFFFAOYSA-N -1 1 381.396 2.111 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000826233232 608008541 /nfs/dbraw/zinc/00/85/41/608008541.db2.gz YXLQKKWOJPKIOX-GOSISDBHSA-N -1 1 393.451 2.179 20 0 GEADMM O=C(Cn1ccnc1-c1nnn[n-]1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000826425226 608013048 /nfs/dbraw/zinc/01/30/48/608013048.db2.gz VGRTZGATTYABIP-OAHLLOKOSA-N -1 1 383.412 2.170 20 0 GEADMM O=C(Cn1ccnc1-c1nn[n-]n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000826425226 608013049 /nfs/dbraw/zinc/01/30/49/608013049.db2.gz VGRTZGATTYABIP-OAHLLOKOSA-N -1 1 383.412 2.170 20 0 GEADMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2nc1C1CC1 ZINC000826355375 608017336 /nfs/dbraw/zinc/01/73/36/608017336.db2.gz WWMUWCKJVQWDTO-UHFFFAOYSA-N -1 1 395.448 2.432 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCc2ccsc2C1 ZINC000826232779 608027229 /nfs/dbraw/zinc/02/72/29/608027229.db2.gz ICLMSYUGIFSTGO-UHFFFAOYSA-N -1 1 384.465 2.163 20 0 GEADMM O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826461835 608029070 /nfs/dbraw/zinc/02/90/70/608029070.db2.gz HSJQFQXRZKFOCF-CYBMUJFWSA-N -1 1 383.433 2.276 20 0 GEADMM O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826461835 608029071 /nfs/dbraw/zinc/02/90/71/608029071.db2.gz HSJQFQXRZKFOCF-CYBMUJFWSA-N -1 1 383.433 2.276 20 0 GEADMM O=S(=O)(NC1CCC(F)(F)CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488561 608056958 /nfs/dbraw/zinc/05/69/58/608056958.db2.gz SUTVNJYBYBOGMH-UHFFFAOYSA-N -1 1 377.804 2.376 20 0 GEADMM O=S(=O)(NC1CCC(F)(F)CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488561 608056959 /nfs/dbraw/zinc/05/69/59/608056959.db2.gz SUTVNJYBYBOGMH-UHFFFAOYSA-N -1 1 377.804 2.376 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCCC(F)(F)F ZINC000826327966 608075738 /nfs/dbraw/zinc/07/57/38/608075738.db2.gz AYZAOZFYVJUZGG-UHFFFAOYSA-N -1 1 397.361 2.345 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCCC(F)(F)F ZINC000826327966 608075739 /nfs/dbraw/zinc/07/57/39/608075739.db2.gz AYZAOZFYVJUZGG-UHFFFAOYSA-N -1 1 397.361 2.345 20 0 GEADMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824466567 608123987 /nfs/dbraw/zinc/12/39/87/608123987.db2.gz YGXXQVGFPAMJAE-LBPRGKRZSA-N -1 1 399.418 2.020 20 0 GEADMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824466567 608123988 /nfs/dbraw/zinc/12/39/88/608123988.db2.gz YGXXQVGFPAMJAE-LBPRGKRZSA-N -1 1 399.418 2.020 20 0 GEADMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824466563 608124090 /nfs/dbraw/zinc/12/40/90/608124090.db2.gz YGXXQVGFPAMJAE-GFCCVEGCSA-N -1 1 399.418 2.020 20 0 GEADMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824466563 608124091 /nfs/dbraw/zinc/12/40/91/608124091.db2.gz YGXXQVGFPAMJAE-GFCCVEGCSA-N -1 1 399.418 2.020 20 0 GEADMM CC(=O)c1ccc(F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000824025037 608140305 /nfs/dbraw/zinc/14/03/05/608140305.db2.gz SZWQQEMOXCJUND-UHFFFAOYSA-N -1 1 398.398 2.497 20 0 GEADMM O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426509 608168447 /nfs/dbraw/zinc/16/84/47/608168447.db2.gz OVOJQHYWSMFVTM-JTQLQIEISA-N -1 1 383.355 2.410 20 0 GEADMM O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426509 608168448 /nfs/dbraw/zinc/16/84/48/608168448.db2.gz OVOJQHYWSMFVTM-JTQLQIEISA-N -1 1 383.355 2.410 20 0 GEADMM COc1ccccc1-n1nnnc1Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000826218080 608171063 /nfs/dbraw/zinc/17/10/63/608171063.db2.gz NXSGSXHLSQKIIX-UHFFFAOYSA-N -1 1 393.845 2.112 20 0 GEADMM COc1ccccc1-n1nnnc1Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000826218080 608171065 /nfs/dbraw/zinc/17/10/65/608171065.db2.gz NXSGSXHLSQKIIX-UHFFFAOYSA-N -1 1 393.845 2.112 20 0 GEADMM CC(C)COC(=O)N1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824266256 608180166 /nfs/dbraw/zinc/18/01/66/608180166.db2.gz IHNZGRVAVKOIQX-UHFFFAOYSA-N -1 1 385.881 2.281 20 0 GEADMM CC(C)COC(=O)N1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824266256 608180168 /nfs/dbraw/zinc/18/01/68/608180168.db2.gz IHNZGRVAVKOIQX-UHFFFAOYSA-N -1 1 385.881 2.281 20 0 GEADMM FC(F)(F)c1ccnc(NCCNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000826369049 608186081 /nfs/dbraw/zinc/18/60/81/608186081.db2.gz KOZNBNWTRGPAFZ-UHFFFAOYSA-N -1 1 391.770 2.309 20 0 GEADMM FC(F)(F)c1ccnc(NCCNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000826369049 608186083 /nfs/dbraw/zinc/18/60/83/608186083.db2.gz KOZNBNWTRGPAFZ-UHFFFAOYSA-N -1 1 391.770 2.309 20 0 GEADMM CCOC(=O)CCN(Cc1cccnc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825512070 608190583 /nfs/dbraw/zinc/19/05/83/608190583.db2.gz RWFQFMBFBDWJTG-UHFFFAOYSA-N -1 1 393.860 2.331 20 0 GEADMM CCOC(=O)CCN(Cc1cccnc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825512070 608190585 /nfs/dbraw/zinc/19/05/85/608190585.db2.gz RWFQFMBFBDWJTG-UHFFFAOYSA-N -1 1 393.860 2.331 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000735624833 608192707 /nfs/dbraw/zinc/19/27/07/608192707.db2.gz BFPKYJPZUDBDOI-JTQLQIEISA-N -1 1 379.442 2.485 20 0 GEADMM Cc1cnc([C@H](C)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826317788 608204946 /nfs/dbraw/zinc/20/49/46/608204946.db2.gz NLLQUMMXAUDURH-LBPRGKRZSA-N -1 1 396.411 2.294 20 0 GEADMM Cc1ccccc1[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826306430 608211953 /nfs/dbraw/zinc/21/19/53/608211953.db2.gz YPLGYWCOYSRHOM-ZDUSSCGKSA-N -1 1 382.472 2.065 20 0 GEADMM Cc1ccccc1[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826306430 608211955 /nfs/dbraw/zinc/21/19/55/608211955.db2.gz YPLGYWCOYSRHOM-ZDUSSCGKSA-N -1 1 382.472 2.065 20 0 GEADMM CSc1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccn1 ZINC000826230402 608249612 /nfs/dbraw/zinc/24/96/12/608249612.db2.gz RLQHTSUOHRBAHW-UHFFFAOYSA-N -1 1 396.885 2.116 20 0 GEADMM CSc1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccn1 ZINC000826230402 608249613 /nfs/dbraw/zinc/24/96/13/608249613.db2.gz RLQHTSUOHRBAHW-UHFFFAOYSA-N -1 1 396.885 2.116 20 0 GEADMM O=C(CN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N-]OCc1ccccc1 ZINC000826409640 608259589 /nfs/dbraw/zinc/25/95/89/608259589.db2.gz IMYBLDLRAGKUOK-UHFFFAOYSA-N -1 1 378.436 2.079 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472391 608315381 /nfs/dbraw/zinc/31/53/81/608315381.db2.gz JJVJYFIVLRVEIW-KRWDZBQOSA-N -1 1 389.868 2.401 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472391 608315383 /nfs/dbraw/zinc/31/53/83/608315383.db2.gz JJVJYFIVLRVEIW-KRWDZBQOSA-N -1 1 389.868 2.401 20 0 GEADMM COCC1(C)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000826152511 608336166 /nfs/dbraw/zinc/33/61/66/608336166.db2.gz BUDDQIYVRPOGBA-UHFFFAOYSA-N -1 1 384.440 2.448 20 0 GEADMM COCC1(C)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000826152511 608336168 /nfs/dbraw/zinc/33/61/68/608336168.db2.gz BUDDQIYVRPOGBA-UHFFFAOYSA-N -1 1 384.440 2.448 20 0 GEADMM COc1cc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)ccc1OC(F)F ZINC000826179332 608391936 /nfs/dbraw/zinc/39/19/36/608391936.db2.gz KDFNPMMQZMLKKP-UHFFFAOYSA-N -1 1 389.366 2.436 20 0 GEADMM COc1cc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)ccc1OC(F)F ZINC000826179332 608391938 /nfs/dbraw/zinc/39/19/38/608391938.db2.gz KDFNPMMQZMLKKP-UHFFFAOYSA-N -1 1 389.366 2.436 20 0 GEADMM Fc1ccc(-c2noc([C@H]3CCCN(c4ccc(-c5nnn[n-]5)nn4)C3)n2)cc1 ZINC000826373399 608410729 /nfs/dbraw/zinc/41/07/29/608410729.db2.gz KSOAPKMSTMCGHG-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1ccc(-c2noc([C@H]3CCCN(c4ccc(-c5nn[n-]n5)nn4)C3)n2)cc1 ZINC000826373399 608410732 /nfs/dbraw/zinc/41/07/32/608410732.db2.gz KSOAPKMSTMCGHG-LBPRGKRZSA-N -1 1 393.386 2.230 20 0 GEADMM Fc1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1I ZINC000826377756 608436098 /nfs/dbraw/zinc/43/60/98/608436098.db2.gz FCYVENCBYGRGEK-UHFFFAOYSA-N -1 1 384.112 2.193 20 0 GEADMM Fc1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1I ZINC000826377756 608436100 /nfs/dbraw/zinc/43/61/00/608436100.db2.gz FCYVENCBYGRGEK-UHFFFAOYSA-N -1 1 384.112 2.193 20 0 GEADMM Cc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1C1CC1 ZINC000826341102 608440338 /nfs/dbraw/zinc/44/03/38/608440338.db2.gz WPWROVJDVRYAPI-UHFFFAOYSA-N -1 1 394.395 2.151 20 0 GEADMM Cc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1C1CC1 ZINC000826341102 608440340 /nfs/dbraw/zinc/44/03/40/608440340.db2.gz WPWROVJDVRYAPI-UHFFFAOYSA-N -1 1 394.395 2.151 20 0 GEADMM Cc1c(Cl)cccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826236947 608549087 /nfs/dbraw/zinc/54/90/87/608549087.db2.gz IROXWQZHJDLJAL-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Cc1c(Cl)cccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826236947 608549088 /nfs/dbraw/zinc/54/90/88/608549088.db2.gz IROXWQZHJDLJAL-UHFFFAOYSA-N -1 1 389.851 2.230 20 0 GEADMM Clc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1-c1nnn[n-]1 ZINC000826351873 608552703 /nfs/dbraw/zinc/55/27/03/608552703.db2.gz DYBVKUOMSHRUJM-UHFFFAOYSA-N -1 1 395.858 2.114 20 0 GEADMM Clc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1-c1nn[n-]n1 ZINC000826351873 608552705 /nfs/dbraw/zinc/55/27/05/608552705.db2.gz DYBVKUOMSHRUJM-UHFFFAOYSA-N -1 1 395.858 2.114 20 0 GEADMM C[C@H](CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824402462 608559973 /nfs/dbraw/zinc/55/99/73/608559973.db2.gz WXFQLLDDFKVPDI-CYBMUJFWSA-N -1 1 382.472 2.147 20 0 GEADMM C[C@H](CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824402462 608559975 /nfs/dbraw/zinc/55/99/75/608559975.db2.gz WXFQLLDDFKVPDI-CYBMUJFWSA-N -1 1 382.472 2.147 20 0 GEADMM CC(C)(C)n1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000824148137 608589425 /nfs/dbraw/zinc/58/94/25/608589425.db2.gz NDCBVXXQDHJDJW-UHFFFAOYSA-N -1 1 397.487 2.006 20 0 GEADMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)ccc12 ZINC000826322268 608754600 /nfs/dbraw/zinc/75/46/00/608754600.db2.gz FNIYFMXZOLPUCC-UHFFFAOYSA-N -1 1 391.363 2.130 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(Cl)c(F)c1 ZINC000824999823 608839745 /nfs/dbraw/zinc/83/97/45/608839745.db2.gz KJNFFIMAAMMFDK-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(Cl)c(F)c1 ZINC000824999823 608839749 /nfs/dbraw/zinc/83/97/49/608839749.db2.gz KJNFFIMAAMMFDK-LLVKDONJSA-N -1 1 388.838 2.160 20 0 GEADMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)ccc2[nH]1 ZINC000825694482 609155931 /nfs/dbraw/zinc/15/59/31/609155931.db2.gz QWOPCRJXYNBTRE-UHFFFAOYSA-N -1 1 396.432 2.071 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1Cl ZINC000825930307 609158239 /nfs/dbraw/zinc/15/82/39/609158239.db2.gz RSPXWPSRJNFQCS-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1Cl ZINC000825930307 609158240 /nfs/dbraw/zinc/15/82/40/609158240.db2.gz RSPXWPSRJNFQCS-UHFFFAOYSA-N -1 1 393.814 2.061 20 0 GEADMM Fc1ccc(-c2nnc3n2C[C@@H](Nc2cccc(-c4nnn[n-]4)n2)CC3)cc1 ZINC000826372983 609172611 /nfs/dbraw/zinc/17/26/11/609172611.db2.gz UQJXCSBATGZUNY-ZDUSSCGKSA-N -1 1 377.387 2.086 20 0 GEADMM Fc1ccc(-c2nnc3n2C[C@@H](Nc2cccc(-c4nn[n-]n4)n2)CC3)cc1 ZINC000826372983 609172612 /nfs/dbraw/zinc/17/26/12/609172612.db2.gz UQJXCSBATGZUNY-ZDUSSCGKSA-N -1 1 377.387 2.086 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1C1CCOCC1 ZINC000826495045 609182903 /nfs/dbraw/zinc/18/29/03/609182903.db2.gz AQHXMBIHKKZOIO-ZDUSSCGKSA-N -1 1 397.888 2.100 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1C1CCOCC1 ZINC000826495045 609182905 /nfs/dbraw/zinc/18/29/05/609182905.db2.gz AQHXMBIHKKZOIO-ZDUSSCGKSA-N -1 1 397.888 2.100 20 0 GEADMM COc1ccc([C@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)C(F)(F)F)cc1 ZINC000826189129 609266707 /nfs/dbraw/zinc/26/67/07/609266707.db2.gz ODCPNAAWOHBQAC-AWEZNQCLSA-N -1 1 396.329 2.134 20 0 GEADMM COc1ccc([C@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C(F)(F)F)cc1 ZINC000826189129 609266709 /nfs/dbraw/zinc/26/67/09/609266709.db2.gz ODCPNAAWOHBQAC-AWEZNQCLSA-N -1 1 396.329 2.134 20 0 GEADMM C[C@@H]1C[C@@H](C)CN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824875315 609278029 /nfs/dbraw/zinc/27/80/29/609278029.db2.gz LGRCGFDXIOLSJL-CHWSQXEVSA-N -1 1 398.446 2.108 20 0 GEADMM CC[C@H]1C[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000825184684 609290411 /nfs/dbraw/zinc/29/04/11/609290411.db2.gz YBCFLCKJMLAKSF-RYUDHWBXSA-N -1 1 385.403 2.335 20 0 GEADMM COc1ccccc1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826219742 609290476 /nfs/dbraw/zinc/29/04/76/609290476.db2.gz PEKWSMLYQIFKCV-UHFFFAOYSA-N -1 1 393.382 2.381 20 0 GEADMM Cc1nscc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826340054 609294484 /nfs/dbraw/zinc/29/44/84/609294484.db2.gz FZGYBDZOWGCGOL-UHFFFAOYSA-N -1 1 381.421 2.483 20 0 GEADMM COc1ccc(C[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000826191285 609296130 /nfs/dbraw/zinc/29/61/30/609296130.db2.gz BTPZRBOMNKMPRY-GFCCVEGCSA-N -1 1 383.408 2.201 20 0 GEADMM COc1ccc(C[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000826191285 609296132 /nfs/dbraw/zinc/29/61/32/609296132.db2.gz BTPZRBOMNKMPRY-GFCCVEGCSA-N -1 1 383.408 2.201 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCCc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000826229815 609298553 /nfs/dbraw/zinc/29/85/53/609298553.db2.gz SGIXKTBXRAYRMC-UHFFFAOYSA-N -1 1 386.412 2.421 20 0 GEADMM CCc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc(=O)[nH]1 ZINC000825693985 609312596 /nfs/dbraw/zinc/31/25/96/609312596.db2.gz JRQDJMVEMDBUMK-UHFFFAOYSA-N -1 1 394.370 2.107 20 0 GEADMM CCC(CC)[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000825106494 609331952 /nfs/dbraw/zinc/33/19/52/609331952.db2.gz DWMSHLJCYHOTSJ-UKRRQHHQSA-N -1 1 397.476 2.268 20 0 GEADMM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCSC1 ZINC000825820546 609359168 /nfs/dbraw/zinc/35/91/68/609359168.db2.gz JWPZTQRQWMHLII-JTQLQIEISA-N -1 1 388.432 2.161 20 0 GEADMM CN(Cc1cscn1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825992292 609361271 /nfs/dbraw/zinc/36/12/71/609361271.db2.gz TXKJPMZGODTXSU-UHFFFAOYSA-N -1 1 399.415 2.312 20 0 GEADMM COCCC(C)(C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826153311 609361745 /nfs/dbraw/zinc/36/17/45/609361745.db2.gz IXHIUNYVETVSFM-UHFFFAOYSA-N -1 1 388.407 2.128 20 0 GEADMM CN(Cc1ccoc1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825985835 609363323 /nfs/dbraw/zinc/36/33/23/609363323.db2.gz CDGZKXAOSDAYLN-UHFFFAOYSA-N -1 1 382.359 2.448 20 0 GEADMM O=C(NC[C@@H]1CCCS1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435308 609364103 /nfs/dbraw/zinc/36/41/03/609364103.db2.gz LPHGRJLQIDWWMX-JTQLQIEISA-N -1 1 388.432 2.209 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](CO)c1ccccc1 ZINC000826340599 609389151 /nfs/dbraw/zinc/38/91/51/609389151.db2.gz DOWJRMAWRVNTPH-AWEZNQCLSA-N -1 1 378.392 2.022 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](CO)c1ccccc1 ZINC000826340599 609389154 /nfs/dbraw/zinc/38/91/54/609389154.db2.gz DOWJRMAWRVNTPH-AWEZNQCLSA-N -1 1 378.392 2.022 20 0 GEADMM CC(C)Cn1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000824280563 609405735 /nfs/dbraw/zinc/40/57/35/609405735.db2.gz ORTZUELLBMZFCH-UHFFFAOYSA-N -1 1 395.402 2.296 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N[C@@H](CO)C1CC1 ZINC000826442231 609451537 /nfs/dbraw/zinc/45/15/37/609451537.db2.gz NWHGEIQZWVZCGA-AWEZNQCLSA-N -1 1 384.465 2.165 20 0 GEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(Br)c2Cl)n1 ZINC000826357783 609591816 /nfs/dbraw/zinc/59/18/16/609591816.db2.gz QUCFHXSZCWCWMP-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(Br)c2Cl)n1 ZINC000826357783 609591817 /nfs/dbraw/zinc/59/18/17/609591817.db2.gz QUCFHXSZCWCWMP-UHFFFAOYSA-N -1 1 382.609 2.268 20 0 GEADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC(C)(C)C1 ZINC000824865126 609592868 /nfs/dbraw/zinc/59/28/68/609592868.db2.gz HEMBKFSPTVGIFL-KFWWJZLASA-N -1 1 398.515 2.156 20 0 GEADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC(C)(C)C1 ZINC000824865126 609592870 /nfs/dbraw/zinc/59/28/70/609592870.db2.gz HEMBKFSPTVGIFL-KFWWJZLASA-N -1 1 398.515 2.156 20 0 GEADMM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451000963 650079215 /nfs/dbraw/zinc/07/92/15/650079215.db2.gz JDXLGJPSYFTKQA-UHFFFAOYSA-N -1 1 375.809 2.331 20 0 GEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Br)c(C)cc2OC)n1 ZINC000451022633 650080759 /nfs/dbraw/zinc/08/07/59/650080759.db2.gz CYWYUGUJNUVTBF-UHFFFAOYSA-N -1 1 375.248 2.247 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(S(C)(=O)=O)c1)c1ccccc1 ZINC000451095375 650085789 /nfs/dbraw/zinc/08/57/89/650085789.db2.gz KTSQEZYIIKOYBW-HNNXBMFYSA-N -1 1 387.454 2.359 20 0 GEADMM O=C(c1ccncc1)N1CCC([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451121530 650088743 /nfs/dbraw/zinc/08/87/43/650088743.db2.gz RWEJIQMGQCMIBC-UHFFFAOYSA-N -1 1 385.898 2.380 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)N1CCOCC1 ZINC000451123812 650089025 /nfs/dbraw/zinc/08/90/25/650089025.db2.gz FYNDHRFCHJKDSK-JTQLQIEISA-N -1 1 388.898 2.080 20 0 GEADMM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000451347559 650106019 /nfs/dbraw/zinc/10/60/19/650106019.db2.gz GHYIUSWBLARBFI-IINYFYTJSA-N -1 1 381.853 2.285 20 0 GEADMM 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COC(=O)c1c[n-]c(S(=O)(=O)Cc2ccc(F)c(Br)c2)n1 ZINC000506862434 650451346 /nfs/dbraw/zinc/45/13/46/650451346.db2.gz QSKMPTMBDFKFPE-UHFFFAOYSA-N -1 1 377.191 2.072 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(Cl)cccc2OC)c1 ZINC000461453668 650454459 /nfs/dbraw/zinc/45/44/59/650454459.db2.gz PJZNLOPKPYTGAW-UHFFFAOYSA-N -1 1 384.841 2.144 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn[nH]c2-c2ccsc2)c1 ZINC000461462878 650454640 /nfs/dbraw/zinc/45/46/40/650454640.db2.gz KCOCZBLMODHNGR-UHFFFAOYSA-N -1 1 378.435 2.004 20 0 GEADMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc(S(C)(=O)=O)c1 ZINC000507613886 650464959 /nfs/dbraw/zinc/46/49/59/650464959.db2.gz ADKIGPJZMFEAOZ-UHFFFAOYSA-N -1 1 381.475 2.388 20 0 GEADMM CN(C)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F ZINC000507640048 650465702 /nfs/dbraw/zinc/46/57/02/650465702.db2.gz YZDQLKNZVVZLRE-UHFFFAOYSA-N -1 1 394.396 2.155 20 0 GEADMM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000509166668 650488411 /nfs/dbraw/zinc/48/84/11/650488411.db2.gz BVNOUEUBSOMUNW-JTQLQIEISA-N -1 1 384.841 2.360 20 0 GEADMM Cn1cc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)nn1 ZINC000462928952 650492834 /nfs/dbraw/zinc/49/28/34/650492834.db2.gz ULIRFBXKXGYKEM-UHFFFAOYSA-N -1 1 382.605 2.325 20 0 GEADMM COC[C@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(F)(F)F ZINC000464509289 650497318 /nfs/dbraw/zinc/49/73/18/650497318.db2.gz NYALDYUEJKEZAW-ZDUSSCGKSA-N -1 1 386.392 2.054 20 0 GEADMM COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(F)(F)F ZINC000464509288 650497329 /nfs/dbraw/zinc/49/73/29/650497329.db2.gz NYALDYUEJKEZAW-CYBMUJFWSA-N -1 1 386.392 2.054 20 0 GEADMM CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCOC(C)C ZINC000472734086 650522116 /nfs/dbraw/zinc/52/21/16/650522116.db2.gz JJAACSGTYRAMTO-HNNXBMFYSA-N -1 1 377.890 2.159 20 0 GEADMM Cn1[n-]c(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)nc1=O ZINC000475728189 650536601 /nfs/dbraw/zinc/53/66/01/650536601.db2.gz JXWFRPQQKDZULG-OAHLLOKOSA-N -1 1 388.269 2.340 20 0 GEADMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)c1 ZINC000475833742 650541119 /nfs/dbraw/zinc/54/11/19/650541119.db2.gz GRZCVAPLDPVWRX-UHFFFAOYSA-N -1 1 385.829 2.103 20 0 GEADMM CS(=O)(=O)c1n[n-]c(NC(=O)CSCc2ccc(Cl)cc2Cl)n1 ZINC000512620981 650551877 /nfs/dbraw/zinc/55/18/77/650551877.db2.gz YIUKOAXRBNGCCA-UHFFFAOYSA-N -1 1 395.293 2.387 20 0 GEADMM CS(=O)(=O)c1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)[n-]1 ZINC000512620981 650551878 /nfs/dbraw/zinc/55/18/78/650551878.db2.gz YIUKOAXRBNGCCA-UHFFFAOYSA-N -1 1 395.293 2.387 20 0 GEADMM COc1cc(C)c(Br)cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000512710606 650552764 /nfs/dbraw/zinc/55/27/64/650552764.db2.gz WBKHXDMFMUDXPI-UHFFFAOYSA-N -1 1 380.246 2.479 20 0 GEADMM COc1ccc(NC(=O)c2nc3cccnc3s2)cc1[N-]S(C)(=O)=O ZINC000513337779 650561429 /nfs/dbraw/zinc/56/14/29/650561429.db2.gz FXXWGEMBOZRDGW-UHFFFAOYSA-N -1 1 378.435 2.324 20 0 GEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c3ncccc23)c1 ZINC000513638636 650566992 /nfs/dbraw/zinc/56/69/92/650566992.db2.gz 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C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nc3cc(Cl)ccc3s2)o1 ZINC000518791667 650607893 /nfs/dbraw/zinc/60/78/93/650607893.db2.gz SAJPHGTZHHCESH-UHFFFAOYSA-N -1 1 385.854 2.381 20 0 GEADMM COCc1nc(CS(=O)(=O)c2nc(-c3ccc(OC)cc3)n[n-]2)cs1 ZINC000519303041 650609104 /nfs/dbraw/zinc/60/91/04/650609104.db2.gz DZSXHCGTKPNFKB-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM COCc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc(OC)cc3)n2)cs1 ZINC000519303041 650609106 /nfs/dbraw/zinc/60/91/06/650609106.db2.gz DZSXHCGTKPNFKB-UHFFFAOYSA-N -1 1 380.451 2.057 20 0 GEADMM NS(=O)(=O)c1ccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c(Cl)c1 ZINC000481010392 650640001 /nfs/dbraw/zinc/64/00/01/650640001.db2.gz VAUAHUITQBJGTR-UHFFFAOYSA-N -1 1 382.854 2.113 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)co1 ZINC000482850311 650669807 /nfs/dbraw/zinc/66/98/07/650669807.db2.gz UDJPLHHZJCKBAE-BMIGLBTASA-N -1 1 386.857 2.347 20 0 GEADMM O=C(NCCC[N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000527485215 650676728 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GEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC)C(=O)OC(C)(C)C ZINC000530379917 650724056 /nfs/dbraw/zinc/72/40/56/650724056.db2.gz OUKLXVHMQCTWTH-FQUUOJAGSA-N -1 1 377.503 2.004 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1F)Nc1ccc(F)c(F)c1F ZINC000008498120 642352432 /nfs/dbraw/zinc/35/24/32/642352432.db2.gz WLXALKYQIFJSLB-UHFFFAOYSA-N -1 1 380.294 2.299 20 0 GEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000014097747 642375996 /nfs/dbraw/zinc/37/59/96/642375996.db2.gz BIXBTYBXIMQVKU-UHFFFAOYSA-N -1 1 381.841 2.459 20 0 GEADMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)ccc1Cl ZINC000016099326 642385162 /nfs/dbraw/zinc/38/51/62/642385162.db2.gz VQPXBMLKPRXATF-UHFFFAOYSA-N -1 1 380.773 2.025 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccnc(OC3CCOCC3)c2)sc1C ZINC000532496114 650748899 /nfs/dbraw/zinc/74/88/99/650748899.db2.gz OTYLNWDLXNOACD-UHFFFAOYSA-N -1 1 383.495 2.191 20 0 GEADMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000028257248 642448525 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O=S(=O)(Cc1ccc(Cl)nc1)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000725828385 651480742 /nfs/dbraw/zinc/48/07/42/651480742.db2.gz DGAMYAVPQXVILV-UHFFFAOYSA-N -1 1 378.841 2.328 20 0 GEADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CC(C)(C)OC ZINC000562003061 651487186 /nfs/dbraw/zinc/48/71/86/651487186.db2.gz KVTVUOCFNUNWEC-CQSZACIVSA-N -1 1 377.890 2.159 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C3CC3)CC2)c(F)c1 ZINC000644281976 651530411 /nfs/dbraw/zinc/53/04/11/651530411.db2.gz RUGKOFCJYXDCGX-UHFFFAOYSA-N -1 1 376.475 2.008 20 0 GEADMM COc1ccc(CCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1Br ZINC000605381522 651535923 /nfs/dbraw/zinc/53/59/23/651535923.db2.gz XGXNKONJQIQLHG-UHFFFAOYSA-N -1 1 394.273 2.489 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)cc1Cl ZINC000728185459 651539881 /nfs/dbraw/zinc/53/98/81/651539881.db2.gz ROPCPVSJHILWSD-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)C2 ZINC000563756799 651542385 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COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000611416326 651723196 /nfs/dbraw/zinc/72/31/96/651723196.db2.gz HBXDEJXLXQDSQH-BZNIZROVSA-N -1 1 377.409 2.374 20 0 GEADMM CCC[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)c1nn[n-]n1 ZINC000612060626 651744249 /nfs/dbraw/zinc/74/42/49/651744249.db2.gz LYUYDGSHQRQNTF-JTQLQIEISA-N -1 1 382.218 2.005 20 0 GEADMM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(I)c([O-])c1 ZINC000612829658 651772276 /nfs/dbraw/zinc/77/22/76/651772276.db2.gz CUNURONKIZSBPQ-UHFFFAOYSA-N -1 1 384.173 2.256 20 0 GEADMM C[C@@H](CN(C)C(=O)C(C)(C)Oc1ccc(Br)cc1)c1nn[n-]n1 ZINC000613473915 651787505 /nfs/dbraw/zinc/78/75/05/651787505.db2.gz CWQZJKOUVIPWSE-JTQLQIEISA-N -1 1 382.262 2.382 20 0 GEADMM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000649147771 651817532 /nfs/dbraw/zinc/81/75/32/651817532.db2.gz UTFFROFYOHDQKS-ZDUSSCGKSA-N -1 1 395.175 2.295 20 0 GEADMM COC(=O)C1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000571251921 651820576 /nfs/dbraw/zinc/82/05/76/651820576.db2.gz 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CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000575756044 652075450 /nfs/dbraw/zinc/07/54/50/652075450.db2.gz LUXJITQJPUFIDH-NEPJUHHUSA-N -1 1 386.242 2.284 20 0 GEADMM C[C@@]1(C[N-]S(=O)(=O)c2ncccc2Br)CCO[C@@H]1C1CC1 ZINC000656963698 652076001 /nfs/dbraw/zinc/07/60/01/652076001.db2.gz QIWXQLLKCKYTIJ-OCCSQVGLSA-N -1 1 375.288 2.328 20 0 GEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000575756047 652076259 /nfs/dbraw/zinc/07/62/59/652076259.db2.gz LUXJITQJPUFIDH-VXGBXAGGSA-N -1 1 386.242 2.284 20 0 GEADMM O=S(=O)(Cc1cc(F)ccc1Br)[N-]Cc1nnc(C2CC2)o1 ZINC000656966494 652076901 /nfs/dbraw/zinc/07/69/01/652076901.db2.gz SEDXHILCQQEZFI-UHFFFAOYSA-N -1 1 390.234 2.468 20 0 GEADMM Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ncccc2Br)cc1 ZINC000656969198 652078157 /nfs/dbraw/zinc/07/81/57/652078157.db2.gz MVMYVDJDXAHKPV-CYBMUJFWSA-N -1 1 385.283 2.034 20 0 GEADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)c1ccnn1C ZINC000656971383 652079148 /nfs/dbraw/zinc/07/91/48/652079148.db2.gz 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C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)c(F)c2)o1 ZINC000748879559 652222029 /nfs/dbraw/zinc/22/20/29/652222029.db2.gz STYDFKLIOYVDCD-UHFFFAOYSA-N -1 1 392.202 2.446 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C3CCCC3)C2)c(F)c1 ZINC000578345554 652264741 /nfs/dbraw/zinc/26/47/41/652264741.db2.gz JMKINPVJIANTTL-ZDUSSCGKSA-N -1 1 390.502 2.398 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)o1 ZINC000578528364 652276469 /nfs/dbraw/zinc/27/64/69/652276469.db2.gz VNIUOHFYJFPYAG-UHFFFAOYSA-N -1 1 378.328 2.001 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)[C@H]1CCC[C@@H](OC)C1 ZINC000578777727 652293434 /nfs/dbraw/zinc/29/34/34/652293434.db2.gz VKHMUAFKBNZFFW-IGQOVBAYSA-N -1 1 383.457 2.088 20 0 GEADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000578942495 652304802 /nfs/dbraw/zinc/30/48/02/652304802.db2.gz YXUGLYKVQYEUIF-BMIGLBTASA-N -1 1 397.324 2.185 20 0 GEADMM O=S(=O)(C[C@H]1CCCO1)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751292525 652339648 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653426252 /nfs/dbraw/zinc/42/62/52/653426252.db2.gz FZLIXYIPARGSJZ-UHFFFAOYSA-N -1 1 385.820 2.173 20 0 GEADMM CC(C)(C)OC(=O)NCC(F)(F)C[N-]S(=O)(=O)c1cccnc1Cl ZINC000778094319 653426412 /nfs/dbraw/zinc/42/64/12/653426412.db2.gz LCRKPKBHAQVCFQ-UHFFFAOYSA-N -1 1 385.820 2.173 20 0 GEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1c(Br)nc2n1CCCC2 ZINC000837360509 653430013 /nfs/dbraw/zinc/43/00/13/653430013.db2.gz PAZGAJSXSNTFBN-UHFFFAOYSA-N -1 1 379.140 2.371 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C12CCC2 ZINC000859290856 653435298 /nfs/dbraw/zinc/43/52/98/653435298.db2.gz TZRKEUONCZYYIN-NSHDSACASA-N -1 1 390.893 2.274 20 0 GEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)CC[C@@H]1CCCCO1 ZINC000837448573 653438843 /nfs/dbraw/zinc/43/88/43/653438843.db2.gz YXMBDQSIKOKOKE-LBPRGKRZSA-N -1 1 375.468 2.195 20 0 GEADMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000859342865 653444606 /nfs/dbraw/zinc/44/46/06/653444606.db2.gz UNODTGUQGWQGNZ-UWVGGRQHSA-N -1 1 397.280 2.025 20 0 GEADMM O=S(=O)([N-][C@H]1CCN(c2ccc(Cl)cc2F)C1)c1c[nH]nc1Cl ZINC000859371863 653452927 /nfs/dbraw/zinc/45/29/27/653452927.db2.gz YSUBCDMBBYZSKJ-VIFPVBQESA-N -1 1 379.244 2.413 20 0 GEADMM COCOCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000859383991 653454456 /nfs/dbraw/zinc/45/44/56/653454456.db2.gz SVVOKSUOJUJIEZ-UHFFFAOYSA-N -1 1 378.697 2.453 20 0 GEADMM Cc1cc(C2([N-]S(=O)(=O)c3cnc(Cl)c(F)c3)CCOCC2)on1 ZINC000859414607 653460740 /nfs/dbraw/zinc/46/07/40/653460740.db2.gz IXSYJAHSCMZDGZ-UHFFFAOYSA-N -1 1 375.809 2.155 20 0 GEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccccc1Br)N(C)C ZINC000813200554 653467163 /nfs/dbraw/zinc/46/71/63/653467163.db2.gz UPOBORXRWPOARN-AWEZNQCLSA-N -1 1 391.331 2.024 20 0 GEADMM C[C@@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(F)c(Br)c1 ZINC000813445519 653480580 /nfs/dbraw/zinc/48/05/80/653480580.db2.gz YVRNQORTWVWWQG-ZANVPECISA-N -1 1 398.236 2.195 20 0 GEADMM NC(=O)C1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CCCC1 ZINC000813454486 653496970 /nfs/dbraw/zinc/49/69/70/653496970.db2.gz QWRFANWOBXDUEU-UHFFFAOYSA-N -1 1 378.226 2.231 20 0 GEADMM C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C(N)=O ZINC000813719235 653612482 /nfs/dbraw/zinc/61/24/82/653612482.db2.gz WRWCIQYRBNZTMN-JOYOIKCWSA-N -1 1 388.276 2.324 20 0 GEADMM COCc1ncc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000813999217 653621728 /nfs/dbraw/zinc/62/17/28/653621728.db2.gz BAQLJPBWJDSMAD-UHFFFAOYSA-N -1 1 388.467 2.316 20 0 GEADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780367240 653624769 /nfs/dbraw/zinc/62/47/69/653624769.db2.gz XRQYUYQYRIKRAJ-UHFFFAOYSA-N -1 1 376.406 2.333 20 0 GEADMM Nc1ccc(Br)c(F)c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000781227072 653639641 /nfs/dbraw/zinc/63/96/41/653639641.db2.gz MVUJCJXQKWHLTK-UHFFFAOYSA-N -1 1 395.184 2.284 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)[C@@H]1CCCOC1 ZINC000781411916 653641545 /nfs/dbraw/zinc/64/15/45/653641545.db2.gz ZGDSQBFIPUSULF-BXKDBHETSA-N -1 1 397.280 2.025 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCCC2(C)C)c(F)cc1Cl ZINC000815063195 653649098 /nfs/dbraw/zinc/64/90/98/653649098.db2.gz WWJXAQPRKYUIJA-INIZCTEOSA-N -1 1 393.864 2.485 20 0 GEADMM O=C([O-])c1c[nH]c(=O)c2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc12 ZINC000781862143 653650793 /nfs/dbraw/zinc/65/07/93/653650793.db2.gz LHJXDSNNQGWLSS-UHFFFAOYSA-N -1 1 379.781 2.488 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H]2C)c(F)cc1Cl ZINC000815095282 653651454 /nfs/dbraw/zinc/65/14/54/653651454.db2.gz UYOZTXOPDPMZDC-RFAUZJTJSA-N -1 1 379.837 2.095 20 0 GEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@]2(C)Br)n[n-]1 ZINC000861388100 653656354 /nfs/dbraw/zinc/65/63/54/653656354.db2.gz REDABPVPNHCVJJ-AMJWSMQMSA-N -1 1 387.278 2.358 20 0 GEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@]2(C)Br)[n-]1 ZINC000861388100 653656355 /nfs/dbraw/zinc/65/63/55/653656355.db2.gz REDABPVPNHCVJJ-AMJWSMQMSA-N -1 1 387.278 2.358 20 0 GEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2C[C@@]2(C)Br)n1 ZINC000861388100 653656358 /nfs/dbraw/zinc/65/63/58/653656358.db2.gz REDABPVPNHCVJJ-AMJWSMQMSA-N -1 1 387.278 2.358 20 0 GEADMM C[C@H](C(=O)NCC(F)(F)F)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000879446315 653669262 /nfs/dbraw/zinc/66/92/62/653669262.db2.gz CXCSRLDXXDRSFP-LLVKDONJSA-N -1 1 379.810 2.230 20 0 GEADMM CSc1ccc(NC(=O)CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000879764441 653681190 /nfs/dbraw/zinc/68/11/90/653681190.db2.gz VSUJIRYOEYKESF-HNNXBMFYSA-N -1 1 375.416 2.490 20 0 GEADMM C[C@H](C(=O)Nc1nc(Br)ccc1[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000783904864 653686234 /nfs/dbraw/zinc/68/62/34/653686234.db2.gz FJQOHEDSZWTKIO-OPRDCNLKSA-N -1 1 396.241 2.052 20 0 GEADMM O=C(Cn1cc(Br)cn1)Nc1nc(Br)ccc1[O-] ZINC000783905164 653686453 /nfs/dbraw/zinc/68/64/53/653686453.db2.gz NWFOSJPEEOKUCT-UHFFFAOYSA-N -1 1 376.008 2.147 20 0 GEADMM O=C(CN1CCCCS1(=O)=O)Nc1c([O-])cc(Br)cc1Cl ZINC000879950759 653689790 /nfs/dbraw/zinc/68/97/90/653689790.db2.gz BNWBZRFZMKQROF-UHFFFAOYSA-N -1 1 397.678 2.172 20 0 GEADMM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)[n-][nH]c2=O)ccc1Cl ZINC000816741167 653692323 /nfs/dbraw/zinc/69/23/23/653692323.db2.gz ZWBWSFGEWSKIOV-UHFFFAOYSA-N -1 1 386.861 2.360 20 0 GEADMM CSCCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000784375814 653692751 /nfs/dbraw/zinc/69/27/51/653692751.db2.gz UCCHNDALZXKCJV-UHFFFAOYSA-N -1 1 398.547 2.399 20 0 GEADMM CN(C(=O)c1cc(I)ccc1[O-])[C@H]1CC(C)(C)OC1=O ZINC000817073032 653699751 /nfs/dbraw/zinc/69/97/51/653699751.db2.gz INFUXEMFAKZNSV-JTQLQIEISA-N -1 1 389.189 2.163 20 0 GEADMM Cn1ncc(-c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)c1Cl ZINC000817093332 653699935 /nfs/dbraw/zinc/69/99/35/653699935.db2.gz WNFNZUOIXARESB-UHFFFAOYSA-N -1 1 385.833 2.460 20 0 GEADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000785496835 653710629 /nfs/dbraw/zinc/71/06/29/653710629.db2.gz YOKPGHZIKUWWBT-XDTLVQLUSA-N -1 1 387.807 2.187 20 0 GEADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cc(O)ccc1Cl ZINC000863532483 653715015 /nfs/dbraw/zinc/71/50/15/653715015.db2.gz JSSREZPLSUBSSV-RYUDHWBXSA-N -1 1 380.750 2.142 20 0 GEADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000863532483 653715017 /nfs/dbraw/zinc/71/50/17/653715017.db2.gz JSSREZPLSUBSSV-RYUDHWBXSA-N -1 1 380.750 2.142 20 0 GEADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1cc(O)ccc1Cl ZINC000863532483 653715020 /nfs/dbraw/zinc/71/50/20/653715020.db2.gz JSSREZPLSUBSSV-RYUDHWBXSA-N -1 1 380.750 2.142 20 0 GEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)NOC/C=C/Cl)C(F)(F)F ZINC000817783769 653719504 /nfs/dbraw/zinc/71/95/04/653719504.db2.gz ATAMNZSNNUPPMA-ZXCPCRMDSA-N -1 1 377.750 2.490 20 0 GEADMM COCCOC(=O)c1sc2[n-]c(-c3cnn(C)c3Cl)nc(=O)c2c1C ZINC000841496827 653721426 /nfs/dbraw/zinc/72/14/26/653721426.db2.gz AGOCXZQGPGJZHD-UHFFFAOYSA-N -1 1 382.829 2.150 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)c(F)cc1Cl ZINC000841511354 653723749 /nfs/dbraw/zinc/72/37/49/653723749.db2.gz COQFXFWCVLQQEQ-XYPYZODXSA-N -1 1 393.864 2.485 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C2(C)C)c(F)cc1Cl ZINC000841514376 653724489 /nfs/dbraw/zinc/72/44/89/653724489.db2.gz FUMZYOCIBDDAQI-OLZOCXBDSA-N -1 1 379.837 2.094 20 0 GEADMM C[C@H](Cc1cnc[nH]1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000864126176 653726569 /nfs/dbraw/zinc/72/65/69/653726569.db2.gz OEVPSKBWROBZDL-QLJPJBMISA-N -1 1 380.242 2.467 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCCCO)c(F)cc1Cl ZINC000841522595 653726601 /nfs/dbraw/zinc/72/66/01/653726601.db2.gz AKEMULLDCIYZLL-JTQLQIEISA-N -1 1 381.853 2.485 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)CCCO)c(F)cc1Cl ZINC000841524206 653727000 /nfs/dbraw/zinc/72/70/00/653727000.db2.gz QPXNYIFRSAQCDU-SNVBAGLBSA-N -1 1 381.853 2.343 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H]2C)c(F)cc1Cl ZINC000841525622 653727396 /nfs/dbraw/zinc/72/73/96/653727396.db2.gz MTRKMSUVQPVTKH-HWPZZCPQSA-N -1 1 393.864 2.485 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2COCC2(C)C)c(F)cc1Cl ZINC000841527325 653727701 /nfs/dbraw/zinc/72/77/01/653727701.db2.gz XNBDHMNNYFBZAU-ZDUSSCGKSA-N -1 1 379.837 2.359 20 0 GEADMM COc1ccc(F)cc1CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000881923530 653750526 /nfs/dbraw/zinc/75/05/26/653750526.db2.gz QUOKOOLQCXOIJR-AWEZNQCLSA-N -1 1 375.368 2.266 20 0 GEADMM O=C(CCc1cc(Br)cs1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788146558 653750678 /nfs/dbraw/zinc/75/06/78/653750678.db2.gz COKFRGGERUOCNZ-SNVBAGLBSA-N -1 1 388.316 2.273 20 0 GEADMM Cc1nc(C)c(C[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)s1 ZINC000881938318 653751713 /nfs/dbraw/zinc/75/17/13/653751713.db2.gz IEESTSVFZGKOTQ-HSZRJFAPSA-N -1 1 388.540 2.098 20 0 GEADMM COCCOCCCCNC(=O)c1ccc(I)cc1[O-] ZINC000865085668 653753258 /nfs/dbraw/zinc/75/32/58/653753258.db2.gz JMPJPLCAZNUFSC-UHFFFAOYSA-N -1 1 393.221 2.170 20 0 GEADMM Cc1cnc([C@H](C)[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)s1 ZINC000881972719 653753923 /nfs/dbraw/zinc/75/39/23/653753923.db2.gz PBJPEJPVVHVENI-DAOPMYJZSA-N -1 1 388.540 2.351 20 0 GEADMM COCCN(CC(F)F)C(=O)c1ccc(I)cc1[O-] ZINC000865106969 653754021 /nfs/dbraw/zinc/75/40/21/653754021.db2.gz BSTJSEPFPGGTBU-UHFFFAOYSA-N -1 1 385.148 2.351 20 0 GEADMM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881980173 653754507 /nfs/dbraw/zinc/75/45/07/653754507.db2.gz CHKAFWQJDYMDLY-DTWKUNHWSA-N -1 1 388.795 2.226 20 0 GEADMM CN1C(=O)Cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc21 ZINC000788488026 653757278 /nfs/dbraw/zinc/75/72/78/653757278.db2.gz CIQSWKRMBLNGLM-UHFFFAOYSA-N -1 1 380.809 2.358 20 0 GEADMM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)n1 ZINC000819891784 653760430 /nfs/dbraw/zinc/76/04/30/653760430.db2.gz YFEAQKUORKNLPY-UHFFFAOYSA-N -1 1 379.269 2.400 20 0 GEADMM CC(C)C[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)OC(C)(C)C ZINC000819897606 653761070 /nfs/dbraw/zinc/76/10/70/653761070.db2.gz RJYFSVBVEDJURY-LLVKDONJSA-N -1 1 379.910 2.356 20 0 GEADMM CO[C@H](CC[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)C(F)(F)F ZINC000882113106 653763145 /nfs/dbraw/zinc/76/31/45/653763145.db2.gz GSWIXGDUPGSLFH-RKFFSXRUSA-N -1 1 380.454 2.219 20 0 GEADMM O=S(=O)([N-]Cc1nncn1C1CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000882140163 653765382 /nfs/dbraw/zinc/76/53/82/653765382.db2.gz KZPMBVUNKCEDTJ-UHFFFAOYSA-N -1 1 381.767 2.159 20 0 GEADMM C[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820225640 653768952 /nfs/dbraw/zinc/76/89/52/653768952.db2.gz NQMNLCWSVDAVQF-SECBINFHSA-N -1 1 390.245 2.495 20 0 GEADMM C[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820225640 653768953 /nfs/dbraw/zinc/76/89/53/653768953.db2.gz NQMNLCWSVDAVQF-SECBINFHSA-N -1 1 390.245 2.495 20 0 GEADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000820225641 653769029 /nfs/dbraw/zinc/76/90/29/653769029.db2.gz NQMNLCWSVDAVQF-VIFPVBQESA-N -1 1 390.245 2.495 20 0 GEADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000820225641 653769032 /nfs/dbraw/zinc/76/90/32/653769032.db2.gz NQMNLCWSVDAVQF-VIFPVBQESA-N -1 1 390.245 2.495 20 0 GEADMM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2F)C1 ZINC000842875286 653771551 /nfs/dbraw/zinc/77/15/51/653771551.db2.gz KESAUJVKNUGTFR-INIZCTEOSA-N -1 1 378.416 2.123 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@H]([C@@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000882238589 653771823 /nfs/dbraw/zinc/77/18/23/653771823.db2.gz UOOCKDABIQXXGE-PBPSECFOSA-N -1 1 378.560 2.048 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C[C@H]2CCCCN12 ZINC000882245649 653772437 /nfs/dbraw/zinc/77/24/37/653772437.db2.gz JRMAPRPEBHYTPU-PSASIEDQSA-N -1 1 397.806 2.186 20 0 GEADMM CCCN1C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1=O ZINC000882270696 653774115 /nfs/dbraw/zinc/77/41/15/653774115.db2.gz BMNHCBCSYQWGQO-SECBINFHSA-N -1 1 399.822 2.291 20 0 GEADMM Cc1cc(OC(F)F)c(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)s1 ZINC000843018390 653777161 /nfs/dbraw/zinc/77/71/61/653777161.db2.gz OUWWKKFLWBWANK-UHFFFAOYSA-N -1 1 382.454 2.202 20 0 GEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017900 653777169 /nfs/dbraw/zinc/77/71/69/653777169.db2.gz ILSDEYMUOKIVFC-LLVKDONJSA-N -1 1 392.880 2.177 20 0 GEADMM Cc1cc(Br)ccc1CC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000789923906 653782992 /nfs/dbraw/zinc/78/29/92/653782992.db2.gz QONYMGPVCOUYRD-GFCCVEGCSA-N -1 1 382.287 2.130 20 0 GEADMM CC(C)COc1ncc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1Cl ZINC000789923846 653783013 /nfs/dbraw/zinc/78/30/13/653783013.db2.gz PRZJVHQSQDAILE-GFCCVEGCSA-N -1 1 382.877 2.213 20 0 GEADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cn1 ZINC000820801825 653784351 /nfs/dbraw/zinc/78/43/51/653784351.db2.gz IIEPZHYNOHTQAL-UHFFFAOYSA-N -1 1 389.886 2.005 20 0 GEADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c(F)cc1F ZINC000790053682 653786288 /nfs/dbraw/zinc/78/62/88/653786288.db2.gz RERRKHBEQSAINU-UHFFFAOYSA-N -1 1 380.323 2.186 20 0 GEADMM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000882539136 653787584 /nfs/dbraw/zinc/78/75/84/653787584.db2.gz KFRURYZZWZUJST-UHFFFAOYSA-N -1 1 376.891 2.123 20 0 GEADMM COc1ccc(NC(=O)C(F)(F)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000790262450 653788632 /nfs/dbraw/zinc/78/86/32/653788632.db2.gz CHIMQCAQOUCEHA-UHFFFAOYSA-N -1 1 378.397 2.067 20 0 GEADMM CC(C)(CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(F)F ZINC000882577219 653789319 /nfs/dbraw/zinc/78/93/19/653789319.db2.gz CGLNKYAFBJPIBZ-UHFFFAOYSA-N -1 1 388.433 2.157 20 0 GEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)c1 ZINC000821132104 653791463 /nfs/dbraw/zinc/79/14/63/653791463.db2.gz IUZXZNAUVFEWBH-UHFFFAOYSA-N -1 1 399.255 2.499 20 0 GEADMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000866390806 653792511 /nfs/dbraw/zinc/79/25/11/653792511.db2.gz TVBMTJFANORIIA-GXTWGEPZSA-N -1 1 380.293 2.274 20 0 GEADMM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000821190663 653792594 /nfs/dbraw/zinc/79/25/94/653792594.db2.gz DUPPHZZOVUZIBM-UHFFFAOYSA-N -1 1 383.267 2.294 20 0 GEADMM CSCC[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000866410432 653793706 /nfs/dbraw/zinc/79/37/06/653793706.db2.gz JTAKRQFDFNNGBY-GOSISDBHSA-N -1 1 387.346 2.103 20 0 GEADMM COC(=O)[C@H](CC1CCOCC1)[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000882643060 653793959 /nfs/dbraw/zinc/79/39/59/653793959.db2.gz YSWDSYCYUCBEHA-KBPBESRZSA-N -1 1 383.457 2.090 20 0 GEADMM COC(=O)[C@@H](CC1CCOCC1)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000882644233 653794308 /nfs/dbraw/zinc/79/43/08/653794308.db2.gz XJFHNOFMGVSODF-OAHLLOKOSA-N -1 1 393.864 2.257 20 0 GEADMM Cc1c([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)cccc1OCC(F)(F)F ZINC000882693048 653798224 /nfs/dbraw/zinc/79/82/24/653798224.db2.gz MGZREQKEVAGFOY-HSZRJFAPSA-N -1 1 389.421 2.167 20 0 GEADMM CCN(CC)C(=O)c1ccc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)cc1 ZINC000866485432 653798246 /nfs/dbraw/zinc/79/82/46/653798246.db2.gz QRNJNJXPUDPNAL-UHFFFAOYSA-N -1 1 389.543 2.011 20 0 GEADMM CCn1nc(C)c([N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)c1C ZINC000882707788 653799131 /nfs/dbraw/zinc/79/91/31/653799131.db2.gz AMPVRMMZHMLHTF-XMMPIXPASA-N -1 1 385.515 2.180 20 0 GEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(N2CCCCCC2)nc1 ZINC000866514015 653800018 /nfs/dbraw/zinc/80/00/18/653800018.db2.gz TWMCIYOLUSMYBM-UHFFFAOYSA-N -1 1 388.559 2.304 20 0 GEADMM CN=[S@@](C)(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000882736867 653801877 /nfs/dbraw/zinc/80/18/77/653801877.db2.gz VANPSROWNUFKEJ-DEOSSOPVSA-N -1 1 382.463 2.345 20 0 GEADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000882748013 653804256 /nfs/dbraw/zinc/80/42/56/653804256.db2.gz PGGKKTHSFRXSGN-JOCHJYFZSA-N -1 1 395.812 2.470 20 0 GEADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000866593691 653805102 /nfs/dbraw/zinc/80/51/02/653805102.db2.gz NSUOQDIJQCJODH-CQSZACIVSA-N -1 1 389.189 2.022 20 0 GEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCC3)O2)c1F ZINC000882776636 653806580 /nfs/dbraw/zinc/80/65/80/653806580.db2.gz HKIFAMHRVFFGBV-LLVKDONJSA-N -1 1 375.393 2.131 20 0 GEADMM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)cc1 ZINC000866640028 653807444 /nfs/dbraw/zinc/80/74/44/653807444.db2.gz ARYHFRXPNHMIAV-NSHDSACASA-N -1 1 377.388 2.493 20 0 GEADMM CS(=O)(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000882804327 653809614 /nfs/dbraw/zinc/80/96/14/653809614.db2.gz BFUOHDYGXLKFJX-ZKCHVHJHSA-N -1 1 391.820 2.213 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)sn1 ZINC000866695432 653812525 /nfs/dbraw/zinc/81/25/25/653812525.db2.gz WOVGNQUHCVPOSK-LBPRGKRZSA-N -1 1 375.516 2.377 20 0 GEADMM CO[C@@H](C)CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000866710068 653813479 /nfs/dbraw/zinc/81/34/79/653813479.db2.gz VIUNLYQMVCEAGE-FVINQWEUSA-N -1 1 399.332 2.165 20 0 GEADMM CCOc1ccccc1CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866721272 653815430 /nfs/dbraw/zinc/81/54/30/653815430.db2.gz SZYKNAGWQFELHM-UHFFFAOYSA-N -1 1 377.388 2.359 20 0 GEADMM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2nc[nH]c2Br)n1 ZINC000866739976 653817540 /nfs/dbraw/zinc/81/75/40/653817540.db2.gz LZPPRNCOLRARCY-UHFFFAOYSA-N -1 1 393.332 2.447 20 0 GEADMM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000844787174 653818186 /nfs/dbraw/zinc/81/81/86/653818186.db2.gz SZHPPDVKQBAASS-LLVKDONJSA-N -1 1 383.800 2.166 20 0 GEADMM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000866767331 653821921 /nfs/dbraw/zinc/82/19/21/653821921.db2.gz PRLLUDNQJWPJRJ-ZDUSSCGKSA-N -1 1 397.925 2.006 20 0 GEADMM CO[C@H](C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C(F)(F)F ZINC000866785869 653825677 /nfs/dbraw/zinc/82/56/77/653825677.db2.gz IWKBGYBQWAXGRJ-SSDOTTSWSA-N -1 1 375.781 2.200 20 0 GEADMM O=S(=O)([N-]C1CCN(C[C@H]2CCCO2)CC1)c1onc(C2CC2)c1Cl ZINC000866793865 653827361 /nfs/dbraw/zinc/82/73/61/653827361.db2.gz SSUFWHFEMACFAN-CYBMUJFWSA-N -1 1 389.905 2.127 20 0 GEADMM COc1ccc(OC)c([C@H](O)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000866832161 653834611 /nfs/dbraw/zinc/83/46/11/653834611.db2.gz AQUFLQLSYPENLY-LLVKDONJSA-N -1 1 377.365 2.246 20 0 GEADMM C[C@H](O)COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1O ZINC000792201651 653837690 /nfs/dbraw/zinc/83/76/90/653837690.db2.gz FNUBYESZMMFBER-JTQLQIEISA-N -1 1 385.825 2.384 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1C(F)(F)F ZINC000866854559 653838669 /nfs/dbraw/zinc/83/86/69/653838669.db2.gz HNYNYCUAQKZLFK-UHFFFAOYSA-N -1 1 394.322 2.393 20 0 GEADMM C[C@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)Oc1cccc(F)c1 ZINC000866882578 653842393 /nfs/dbraw/zinc/84/23/93/653842393.db2.gz SBKNLHPJVHWXDN-SECBINFHSA-N -1 1 381.351 2.324 20 0 GEADMM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)cc1 ZINC000866883363 653842900 /nfs/dbraw/zinc/84/29/00/653842900.db2.gz RHVGGBJLUSRQSO-NSHDSACASA-N -1 1 377.388 2.493 20 0 GEADMM C[C@]1(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCCC[C@@H]1O ZINC000866916632 653849130 /nfs/dbraw/zinc/84/91/30/653849130.db2.gz VUJUHWZROZFWOS-AQKDONEWSA-N -1 1 378.491 2.058 20 0 GEADMM C[C@]1(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCCC[C@H]1O ZINC000866916635 653849150 /nfs/dbraw/zinc/84/91/50/653849150.db2.gz VUJUHWZROZFWOS-WBPRFABPSA-N -1 1 378.491 2.058 20 0 GEADMM O=C(c1cc2ccc(Br)cc2s1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000823189969 653857280 /nfs/dbraw/zinc/85/72/80/653857280.db2.gz AFMIQKOQJOIZFY-JTQLQIEISA-N -1 1 394.254 2.391 20 0 GEADMM O=S(=O)([N-][C@H]1CCOC2(CCOCC2)C1)c1cc(Cl)cnc1Cl ZINC000866985630 653860200 /nfs/dbraw/zinc/86/02/00/653860200.db2.gz JNPBYLLXAZNXIY-NSHDSACASA-N -1 1 381.281 2.395 20 0 GEADMM O=S(=O)([N-]CC1([C@@H](O)c2ccccc2)CC1)c1c[nH]nc1C(F)(F)F ZINC000867000029 653863233 /nfs/dbraw/zinc/86/32/33/653863233.db2.gz CVWHVVCLSMLVGW-ZDUSSCGKSA-N -1 1 375.372 2.221 20 0 GEADMM Cn1ncc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c1C(F)(F)F ZINC000867003049 653863895 /nfs/dbraw/zinc/86/38/95/653863895.db2.gz ZCHCLNBIBQIOIK-UHFFFAOYSA-N -1 1 383.779 2.450 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-]CCSCC(F)(F)F)c1ccccc1 ZINC000867045961 653870573 /nfs/dbraw/zinc/87/05/73/653870573.db2.gz YLAUGQBTDQBLLJ-OAQYLSRUSA-N -1 1 376.447 2.273 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c(C)cc1F ZINC000793395686 653877348 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O=S(=O)([N-]C[C@H]1CCCN(c2ccccc2)C1)c1nc[nH]c1Br ZINC000867206415 653894235 /nfs/dbraw/zinc/89/42/35/653894235.db2.gz LDGSWSXFJKSQDW-GFCCVEGCSA-N -1 1 399.314 2.367 20 0 GEADMM CO[C@@H]1C[C@H](CC(=O)[O-])N(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846285038 653894961 /nfs/dbraw/zinc/89/49/61/653894961.db2.gz NALZGGVOQVNBEA-GYSYKLTISA-N -1 1 376.222 2.186 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cccc(Br)c2)sn1 ZINC000867230672 653898852 /nfs/dbraw/zinc/89/88/52/653898852.db2.gz OIHLDRLVMWNDJR-NSHDSACASA-N -1 1 377.285 2.226 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Cl)cnc1Cl ZINC000867240124 653901356 /nfs/dbraw/zinc/90/13/56/653901356.db2.gz SZRCWWCXEKZHID-GXFFZTMASA-N -1 1 395.308 2.234 20 0 GEADMM COc1c(Cl)cccc1CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000897124593 653908306 /nfs/dbraw/zinc/90/83/06/653908306.db2.gz KXPDLYDITZFPPR-UHFFFAOYSA-N -1 1 379.766 2.169 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2ccns2)CCN1c1ccccc1C(F)(F)F ZINC000885112120 653913210 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/nfs/dbraw/zinc/75/12/85/654751285.db2.gz GKCMAAWYSGKANM-ZETCQYMHSA-N -1 1 387.259 2.225 20 0 GEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(Br)s2)[n-]1 ZINC000912362478 654751286 /nfs/dbraw/zinc/75/12/86/654751286.db2.gz GKCMAAWYSGKANM-ZETCQYMHSA-N -1 1 387.259 2.225 20 0 GEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(Br)s2)n1 ZINC000912362478 654751289 /nfs/dbraw/zinc/75/12/89/654751289.db2.gz GKCMAAWYSGKANM-ZETCQYMHSA-N -1 1 387.259 2.225 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000912537687 654758896 /nfs/dbraw/zinc/75/88/96/654758896.db2.gz JHJUFSJCUBRKGM-QMMMGPOBSA-N -1 1 392.264 2.413 20 0 GEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000912544356 654759187 /nfs/dbraw/zinc/75/91/87/654759187.db2.gz NIZINFPDBSFADK-LLVKDONJSA-N -1 1 390.248 2.469 20 0 GEADMM CSCC[C@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)c1nn[n-]n1 ZINC000912858282 654771507 /nfs/dbraw/zinc/77/15/07/654771507.db2.gz JGEHCVBBQYNSRY-VIFPVBQESA-N -1 1 394.448 2.304 20 0 GEADMM CC[C@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Br)cc1 ZINC000913493170 654795710 /nfs/dbraw/zinc/79/57/10/654795710.db2.gz FXAPPEFNOUALLG-STQMWFEESA-N -1 1 380.246 2.056 20 0 GEADMM O=C(c1ccc(C2SCCCS2)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493351 654795737 /nfs/dbraw/zinc/79/57/37/654795737.db2.gz PKSRMDKVRDWSCA-ZDUSSCGKSA-N -1 1 377.495 2.282 20 0 GEADMM O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913498965 654796370 /nfs/dbraw/zinc/79/63/70/654796370.db2.gz SIOHKOYNPVLRRJ-JTQLQIEISA-N -1 1 392.630 2.139 20 0 GEADMM COc1ccc(CCC(=O)N2CCC(c3nn[n-]n3)CC2)cc1Br ZINC000913742842 654807289 /nfs/dbraw/zinc/80/72/89/654807289.db2.gz XKQCPIBFVOIPNL-UHFFFAOYSA-N -1 1 394.273 2.310 20 0 GEADMM CCOC(=O)CCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000913887818 654813818 /nfs/dbraw/zinc/81/38/18/654813818.db2.gz MERZXJYASMRBQV-UHFFFAOYSA-N -1 1 398.250 2.218 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCN(C3CC3)C2)c1F ZINC000913969576 654819607 /nfs/dbraw/zinc/81/96/07/654819607.db2.gz WWXNRSKTSQETKA-SECBINFHSA-N -1 1 393.278 2.112 20 0 GEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)Cc2cccc(F)c2Br)n1 ZINC000914030354 654822440 /nfs/dbraw/zinc/82/24/40/654822440.db2.gz URAOIOZVLJBUIY-ZETCQYMHSA-N -1 1 378.223 2.460 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2O)c1F ZINC000914196940 654834524 /nfs/dbraw/zinc/83/45/24/654834524.db2.gz INGZSPWSWOHTIA-WPRPVWTQSA-N -1 1 382.251 2.036 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)c1F ZINC000914286517 654841961 /nfs/dbraw/zinc/84/19/61/654841961.db2.gz GCQIMYLZXBWIRG-KYZUINATSA-N -1 1 382.251 2.179 20 0 GEADMM C[C@@H](CO)CCC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914301487 654843420 /nfs/dbraw/zinc/84/34/20/654843420.db2.gz ZRAOQBOQDRCIFR-QVQLBTGDSA-N -1 1 388.433 2.276 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H]1CCCOCC1 ZINC000914333057 654846170 /nfs/dbraw/zinc/84/61/70/654846170.db2.gz PHRRRVJBGORVBK-RULNZOCKSA-N -1 1 386.417 2.437 20 0 GEADMM Cc1cc(I)cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000935037067 654872125 /nfs/dbraw/zinc/87/21/25/654872125.db2.gz MUYYWSCIGOOKLD-JTQLQIEISA-N -1 1 397.220 2.133 20 0 GEADMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)NCc1cccs1 ZINC000915876176 654881378 /nfs/dbraw/zinc/88/13/78/654881378.db2.gz KNSINILBCGPRSA-SECBINFHSA-N -1 1 388.492 2.043 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)CCO)c1F ZINC000915993046 654884448 /nfs/dbraw/zinc/88/44/48/654884448.db2.gz YQENDAYAHHWKSN-SECBINFHSA-N -1 1 384.267 2.284 20 0 GEADMM C[C@H](CCCO)C[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916021556 654885072 /nfs/dbraw/zinc/88/50/72/654885072.db2.gz SXGOLOZFPJXELH-QVQLBTGDSA-N -1 1 388.433 2.276 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-][C@H]1CC12CCOCC2 ZINC000916109382 654888580 /nfs/dbraw/zinc/88/85/80/654888580.db2.gz FONMYQPUGUBJEY-MCFWBGNESA-N -1 1 398.428 2.437 20 0 GEADMM S=c1nc2[n-]cnc(N3CCc4ncc(CN5CCCC5)n4CC3)c-2s1 ZINC001164736519 720577919 /nfs/dbraw/zinc/57/79/19/720577919.db2.gz MQHNCTFJSFOZHC-UHFFFAOYSA-N -1 1 387.538 2.230 20 0 GEADMM CCCCCN(CCNS(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC001465112171 804119756 /nfs/dbraw/zinc/11/97/56/804119756.db2.gz HAENLNMWFGUARS-ZWKOTPCHSA-N -1 1 382.526 2.461 20 0 GEADMM CC(C)CC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000152334552 531545806 /nfs/dbraw/zinc/54/58/06/531545806.db2.gz WCPMSHDUWVDKJM-UHFFFAOYSA-N -1 1 378.491 2.302 20 0 GEADMM NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000152176587 531533932 /nfs/dbraw/zinc/53/39/32/531533932.db2.gz DCVBPULQATVRIO-HQJQHLMTSA-N -1 1 397.241 2.050 20 0 GEADMM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000153259549 531594761 /nfs/dbraw/zinc/59/47/61/531594761.db2.gz SIBPLQDJTBGKPX-UHFFFAOYSA-N -1 1 386.779 2.089 20 0 GEADMM O=C(NCCNS(=O)(=O)c1cccs1)c1cc2ccccc2cc1[O-] ZINC000154945712 531643290 /nfs/dbraw/zinc/64/32/90/531643290.db2.gz JMQOAQHSOJTSIE-UHFFFAOYSA-N -1 1 376.459 2.315 20 0 GEADMM O=S(=O)([N-]c1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccc(F)cc1 ZINC000031721459 531645737 /nfs/dbraw/zinc/64/57/37/531645737.db2.gz WNSSQPCZPSBHDO-UHFFFAOYSA-N -1 1 384.454 2.315 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(N)=O ZINC000032080980 531648127 /nfs/dbraw/zinc/64/81/27/531648127.db2.gz DLLSNVWMKHRLDB-UHFFFAOYSA-N -1 1 385.239 2.357 20 0 GEADMM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066302 531661788 /nfs/dbraw/zinc/66/17/88/531661788.db2.gz IZRJPTHFYONZOT-QMMMGPOBSA-N -1 1 379.667 2.061 20 0 GEADMM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(C(=O)OC)s2)s1 ZINC000047078917 531710732 /nfs/dbraw/zinc/71/07/32/531710732.db2.gz AVXWQSLBNHVVRZ-UHFFFAOYSA-N -1 1 387.464 2.294 20 0 GEADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1 ZINC000157866956 531757842 /nfs/dbraw/zinc/75/78/42/531757842.db2.gz HURJDJMVQAOVPO-UHFFFAOYSA-N -1 1 394.396 2.240 20 0 GEADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000055546043 531791688 /nfs/dbraw/zinc/79/16/88/531791688.db2.gz QWOVPUPBFKRGDX-UHFFFAOYSA-N -1 1 383.447 2.052 20 0 GEADMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1S(N)(=O)=O ZINC000055565198 531793943 /nfs/dbraw/zinc/79/39/43/531793943.db2.gz DBKINKFINCEYCN-UHFFFAOYSA-N -1 1 390.870 2.105 20 0 GEADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1Br ZINC000058190966 531828525 /nfs/dbraw/zinc/82/85/25/531828525.db2.gz OFXNFEDVHWWNFZ-UHFFFAOYSA-N -1 1 398.217 2.365 20 0 GEADMM CN(C)[C@@H](CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)c1ccsc1 ZINC000063758975 531860670 /nfs/dbraw/zinc/86/06/70/531860670.db2.gz AHXSINZVQCAPFI-HNNXBMFYSA-N -1 1 385.486 2.291 20 0 GEADMM O=C(NC[C@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000067147512 531876773 /nfs/dbraw/zinc/87/67/73/531876773.db2.gz NUDSRVJQEHSSTP-LBPRGKRZSA-N -1 1 384.201 2.464 20 0 GEADMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000078496338 531920020 /nfs/dbraw/zinc/92/00/20/531920020.db2.gz CNXMSYLJAXIOGI-LLVKDONJSA-N -1 1 382.251 2.454 20 0 GEADMM CCN(Cc1ccoc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000097546041 531937781 /nfs/dbraw/zinc/93/77/81/531937781.db2.gz YOASRMORKAXGFO-UHFFFAOYSA-N -1 1 376.431 2.001 20 0 GEADMM COCC1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000112401486 531946987 /nfs/dbraw/zinc/94/69/87/531946987.db2.gz HSLLQSAKVFUSPZ-UHFFFAOYSA-N -1 1 375.206 2.495 20 0 GEADMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000172658194 531964076 /nfs/dbraw/zinc/96/40/76/531964076.db2.gz YAKGVWXYHQVMQT-LLVKDONJSA-N -1 1 391.820 2.214 20 0 GEADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1nnc[nH]1 ZINC000174565043 532069257 /nfs/dbraw/zinc/06/92/57/532069257.db2.gz BJMKSPIBTVDUNS-JTQLQIEISA-N -1 1 377.451 2.158 20 0 GEADMM C[C@@H](CN(C)C(=O)c1[nH]nc(-c2ccccc2)c1Br)c1nn[n-]n1 ZINC000124394546 532121357 /nfs/dbraw/zinc/12/13/57/532121357.db2.gz VMOCDOAPGWGRQG-VIFPVBQESA-N -1 1 390.245 2.228 20 0 GEADMM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(CNS(C)(=O)=O)o3)n2)s1 ZINC000176617216 532143422 /nfs/dbraw/zinc/14/34/22/532143422.db2.gz ZRKNWGRXIXHFGM-UHFFFAOYSA-N -1 1 398.491 2.470 20 0 GEADMM COC(=O)[C@@]1(C)CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000177393614 532170768 /nfs/dbraw/zinc/17/07/68/532170768.db2.gz RLIPJGGNPZUNTJ-AWEZNQCLSA-N -1 1 389.189 2.022 20 0 GEADMM COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000129079124 532171965 /nfs/dbraw/zinc/17/19/65/532171965.db2.gz GHRHKXWCUHGPGZ-SSDOTTSWSA-N -1 1 397.309 2.086 20 0 GEADMM O=S(=O)(CC[N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000131327462 532196147 /nfs/dbraw/zinc/19/61/47/532196147.db2.gz UTBRBXQPOGRJMF-UHFFFAOYSA-N -1 1 377.846 2.231 20 0 GEADMM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179311818 532228782 /nfs/dbraw/zinc/22/87/82/532228782.db2.gz AFTWIDDGYXVTQF-SNVBAGLBSA-N -1 1 399.669 2.189 20 0 GEADMM O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000133290367 532231309 /nfs/dbraw/zinc/23/13/09/532231309.db2.gz RMYRBTQOMGBADE-UHFFFAOYSA-N -1 1 384.251 2.358 20 0 GEADMM O=C(C1CCCC1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000133313062 532231437 /nfs/dbraw/zinc/23/14/37/532231437.db2.gz DFKBXFIEDUXGCH-NSHDSACASA-N -1 1 376.400 2.173 20 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ZINC000594862628 532537163 /nfs/dbraw/zinc/53/71/63/532537163.db2.gz BHNYQDVRQDHMKO-NSHDSACASA-N -1 1 388.280 2.389 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000594866105 532538361 /nfs/dbraw/zinc/53/83/61/532538361.db2.gz YYAPIWRBKLJTOY-RYUDHWBXSA-N -1 1 394.276 2.362 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000594866107 532538656 /nfs/dbraw/zinc/53/86/56/532538656.db2.gz YYAPIWRBKLJTOY-VXGBXAGGSA-N -1 1 394.276 2.362 20 0 GEADMM O=C1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H](C2CC2)N1 ZINC000375179762 532540226 /nfs/dbraw/zinc/54/02/26/532540226.db2.gz HUIPIYYORYWNNC-WCQYABFASA-N -1 1 381.256 2.468 20 0 GEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c1 ZINC000471124590 532543308 /nfs/dbraw/zinc/54/33/08/532543308.db2.gz MCTZIMRVPQSNKS-JOCHJYFZSA-N -1 1 387.504 2.018 20 0 GEADMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000471142063 532543500 /nfs/dbraw/zinc/54/35/00/532543500.db2.gz 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CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OC ZINC000594785967 532527548 /nfs/dbraw/zinc/52/75/48/532527548.db2.gz WPSOMDKDSHWPBM-ONGXEEELSA-N -1 1 379.276 2.100 20 0 GEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)cc1 ZINC000470448202 532528467 /nfs/dbraw/zinc/52/84/67/532528467.db2.gz MMHRDMDSVDAZAK-UHFFFAOYSA-N -1 1 385.438 2.374 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccsc1 ZINC000432181502 532528731 /nfs/dbraw/zinc/52/87/31/532528731.db2.gz BYPDVQNDGIBYRW-INIZCTEOSA-N -1 1 379.459 2.460 20 0 GEADMM COCC[C@H](C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1Br ZINC000594842707 532532907 /nfs/dbraw/zinc/53/29/07/532532907.db2.gz GUCGTRWMMTZCMM-GXFFZTMASA-N -1 1 394.287 2.008 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C ZINC000525534735 532533018 /nfs/dbraw/zinc/53/30/18/532533018.db2.gz PGHNKRCREKHWHX-DEOSSOPVSA-N -1 1 381.475 2.461 20 0 GEADMM CCN(C(=O)c1[nH]nc2ccc(I)cc21)[C@H](C)C(=O)[O-] ZINC000595278731 532551420 /nfs/dbraw/zinc/55/14/20/532551420.db2.gz CVQXMMPOUYYZSA-SSDOTTSWSA-N -1 1 387.177 2.103 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(OC)CCCC2)c(Br)o1 ZINC000296922754 532553968 /nfs/dbraw/zinc/55/39/68/532553968.db2.gz FTKVKSHXQLIYSS-UHFFFAOYSA-N -1 1 396.259 2.066 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)cc1C ZINC000595341331 532557909 /nfs/dbraw/zinc/55/79/09/532557909.db2.gz VSXOKSGSYGHBEL-ZDUSSCGKSA-N -1 1 387.841 2.430 20 0 GEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)cc1C ZINC000595349099 532560208 /nfs/dbraw/zinc/56/02/08/532560208.db2.gz YEDWSLPECUSARG-NSHDSACASA-N -1 1 383.447 2.206 20 0 GEADMM COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2cncc([O-])c2)c1 ZINC000297028564 532561326 /nfs/dbraw/zinc/56/13/26/532561326.db2.gz UCJCWHUOSIPQFH-OAHLLOKOSA-N -1 1 381.226 2.364 20 0 GEADMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000296843985 532547691 /nfs/dbraw/zinc/54/76/91/532547691.db2.gz SWUHISGBYQXEHZ-JTQLQIEISA-N -1 1 389.265 2.211 20 0 GEADMM CC[C@@H]([N-]S(=O)(=O)Cc1ncsc1Br)[C@H](O)C(F)(F)F ZINC000632162519 532584997 /nfs/dbraw/zinc/58/49/97/532584997.db2.gz GKSMBSOOMQIPCE-VDTYLAMSSA-N -1 1 397.238 2.027 20 0 GEADMM O=S(=O)([N-][C@@H](c1ccccc1)[C@@H]1CCOC1)c1c[nH]nc1C(F)(F)F ZINC000632177226 532586406 /nfs/dbraw/zinc/58/64/06/532586406.db2.gz OVZNZUHRGNULCK-YPMHNXCESA-N -1 1 375.372 2.485 20 0 GEADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000433615665 532575070 /nfs/dbraw/zinc/57/50/70/532575070.db2.gz JBWZFCINEDJUDI-UHFFFAOYSA-N -1 1 388.442 2.397 20 0 GEADMM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000595999024 532581378 /nfs/dbraw/zinc/58/13/78/532581378.db2.gz HUMNGCHPNUIFGW-SNVBAGLBSA-N -1 1 387.177 2.463 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Cl)ccc1F ZINC000284743863 532615293 /nfs/dbraw/zinc/61/52/93/532615293.db2.gz TYQSQHKMWCQSOD-ABAIWWIYSA-N -1 1 377.865 2.325 20 0 GEADMM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000566582122 532617844 /nfs/dbraw/zinc/61/78/44/532617844.db2.gz MGSRFLHVISLHGA-UHFFFAOYSA-N -1 1 380.369 2.212 20 0 GEADMM CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC(C(=O)[O-])CC1 ZINC000262686097 532598019 /nfs/dbraw/zinc/59/80/19/532598019.db2.gz XXGQKFKXFWKWRR-UHFFFAOYSA-N -1 1 399.285 2.083 20 0 GEADMM O=C(CCCc1ccc(Br)s1)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297615970 532598363 /nfs/dbraw/zinc/59/83/63/532598363.db2.gz ASXOIYVHWYVMTB-UHFFFAOYSA-N -1 1 398.286 2.482 20 0 GEADMM COc1cccc(OC)c1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655662019 532599824 /nfs/dbraw/zinc/59/98/24/532599824.db2.gz MAIRTWAIGUFMKR-GXFFZTMASA-N -1 1 383.388 2.482 20 0 GEADMM Cc1noc2ncc(S(=O)(=O)[N-][C@H](C[C@@H]3CCCO3)C(F)(F)F)cc12 ZINC000655662016 532600131 /nfs/dbraw/zinc/60/01/31/532600131.db2.gz LYTUUVAKBZMCRT-JOYOIKCWSA-N -1 1 379.360 2.310 20 0 GEADMM COc1ccc(NS(C)(=O)=O)cc1[N-]S(=O)(=O)CCc1cccs1 ZINC000566660275 532621545 /nfs/dbraw/zinc/62/15/45/532621545.db2.gz NGLIQTILMVEMCD-UHFFFAOYSA-N -1 1 390.508 2.113 20 0 GEADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(N3CCOCC3)ncn2)c1 ZINC000632323796 532601555 /nfs/dbraw/zinc/60/15/55/532601555.db2.gz GCLINGLFDNSHQY-UHFFFAOYSA-N -1 1 393.241 2.342 20 0 GEADMM CO[C@H](C[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-])C1CC1 ZINC000656165914 532606446 /nfs/dbraw/zinc/60/64/46/532606446.db2.gz AMLYDJCCRVPMRP-WDEREUQCSA-N -1 1 383.800 2.165 20 0 GEADMM O=c1ccc(Br)cn1CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632380555 532607528 /nfs/dbraw/zinc/60/75/28/532607528.db2.gz FDNFHNMQJMWPAC-UHFFFAOYSA-N -1 1 397.197 2.120 20 0 GEADMM O=C1[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCN1C1CCOCC1 ZINC000474212025 532610909 /nfs/dbraw/zinc/61/09/09/532610909.db2.gz OGOOHEKBABDZFA-SECBINFHSA-N -1 1 399.321 2.113 20 0 GEADMM O=C1CCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000566682947 532622921 /nfs/dbraw/zinc/62/29/21/532622921.db2.gz VRBJTOFBPGVVTQ-UHFFFAOYSA-N -1 1 399.669 2.142 20 0 GEADMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O)C1CCCC1 ZINC000656617064 532622832 /nfs/dbraw/zinc/62/28/32/532622832.db2.gz ZMVKDMDFCLHODV-OAHLLOKOSA-N -1 1 376.500 2.005 20 0 GEADMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1 ZINC000656613588 532623149 /nfs/dbraw/zinc/62/31/49/532623149.db2.gz MJUXCHPGKNKDBW-GFCCVEGCSA-N -1 1 384.479 2.312 20 0 GEADMM O=S(=O)([N-]C[C@@H]1C[C@H](c2ccccc2)CO1)c1c[nH]nc1C(F)(F)F ZINC000632557744 532626184 /nfs/dbraw/zinc/62/61/84/532626184.db2.gz VOTBCWSERDATKA-RYUDHWBXSA-N -1 1 375.372 2.280 20 0 GEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1N(C)S(C)(=O)=O)C1CCCC1 ZINC000656624926 532626829 /nfs/dbraw/zinc/62/68/29/532626829.db2.gz XESSSQSGPFGDKR-INIZCTEOSA-N -1 1 390.527 2.029 20 0 GEADMM COc1cc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)cc(OC)c1Cl ZINC000656632408 532628096 /nfs/dbraw/zinc/62/80/96/532628096.db2.gz XLIMBZYFTWVMEN-IINYFYTJSA-N -1 1 379.862 2.150 20 0 GEADMM COc1cccc([C@@H](C[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)OC)c1 ZINC000632589258 532628060 /nfs/dbraw/zinc/62/80/60/532628060.db2.gz JJPFMYWLWJSVNH-LLVKDONJSA-N -1 1 379.360 2.103 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000298119924 532628416 /nfs/dbraw/zinc/62/84/16/532628416.db2.gz RUXAIRNYASDGFZ-LBPRGKRZSA-N -1 1 385.442 2.241 20 0 GEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCS2(=O)=O)c1 ZINC000656632339 532628480 /nfs/dbraw/zinc/62/84/80/532628480.db2.gz CXFQAVIXPLBHBP-UHFFFAOYSA-N -1 1 380.491 2.331 20 0 GEADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)n1 ZINC000436200273 532630569 /nfs/dbraw/zinc/63/05/69/532630569.db2.gz VBQBRYAHRNTVTO-JTQLQIEISA-N -1 1 381.479 2.267 20 0 GEADMM NS(=O)(=O)c1cc(Cl)cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000656768177 532630879 /nfs/dbraw/zinc/63/08/79/532630879.db2.gz VPOIPVFBAKOECE-OWCLPIDISA-N -1 1 386.901 2.453 20 0 GEADMM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]C[C@@H](n1cncn1)C(F)(F)F ZINC000632645942 532633955 /nfs/dbraw/zinc/63/39/55/532633955.db2.gz YSZTYDAVVIZJNG-LLVKDONJSA-N -1 1 386.758 2.294 20 0 GEADMM Cc1nc(C(=O)NC(C)(C)c2nn[n-]n2)nn1-c1c(Cl)cccc1Cl ZINC000475001801 532634756 /nfs/dbraw/zinc/63/47/56/532634756.db2.gz YBHMOPGUMSHCEH-UHFFFAOYSA-N -1 1 381.227 2.061 20 0 GEADMM C[C@@]1(CO)CCC[C@H]1NC(=O)c1cc(I)ccc1[O-] ZINC000436907720 532646350 /nfs/dbraw/zinc/64/63/50/532646350.db2.gz SWMYWZRNMTVGJZ-OCCSQVGLSA-N -1 1 375.206 2.278 20 0 GEADMM COC(=O)C1(NC(=O)c2cc(I)ccc2[O-])CCCC1 ZINC000436514757 532636822 /nfs/dbraw/zinc/63/68/22/532636822.db2.gz POJOFSMYIOBGKK-UHFFFAOYSA-N -1 1 389.189 2.212 20 0 GEADMM O=C(CSC(F)(F)F)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000298389167 532646462 /nfs/dbraw/zinc/64/64/62/532646462.db2.gz CHBWUFHTWWAHPV-UHFFFAOYSA-N -1 1 384.401 2.368 20 0 GEADMM O=C(C(=O)N(CCO)Cc1cccc(Br)c1)c1ccc([O-])cc1 ZINC000436617037 532639299 /nfs/dbraw/zinc/63/92/99/532639299.db2.gz MBKVSIRDWZXHLJ-UHFFFAOYSA-N -1 1 378.222 2.359 20 0 GEADMM O=S(=O)([N-]C[C@H]1OCCc2ccccc21)c1ncccc1Br ZINC000656901118 532641011 /nfs/dbraw/zinc/64/10/11/532641011.db2.gz CRJSFXLHECBZEV-CQSZACIVSA-N -1 1 383.267 2.436 20 0 GEADMM O=C(Nc1ccn(CC(F)F)n1)c1cc(I)ccc1[O-] ZINC000436680627 532641725 /nfs/dbraw/zinc/64/17/25/532641725.db2.gz OILMCWTUPAMUBA-UHFFFAOYSA-N -1 1 393.131 2.711 20 0 GEADMM O=C(CNC(=O)c1cc(Br)ccc1[O-])N1CCc2ccccc2C1 ZINC000436716130 532642716 /nfs/dbraw/zinc/64/27/16/532642716.db2.gz ZMRGJFGIZWIDQV-UHFFFAOYSA-N -1 1 389.249 2.469 20 0 GEADMM Cc1nnc(NC(=O)c2cc(I)ccc2[O-])n1C1CC1 ZINC000436731721 532643621 /nfs/dbraw/zinc/64/36/21/532643621.db2.gz AKRDQXHIOJDYDV-UHFFFAOYSA-N -1 1 384.177 2.484 20 0 GEADMM O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377595467 532663679 /nfs/dbraw/zinc/66/36/79/532663679.db2.gz OFJKVZMBLOVGBU-GFCCVEGCSA-N -1 1 376.829 2.190 20 0 GEADMM CCOC(=O)C(=C([O-])CSc1nnnn1CC(C)C)c1nc(C)cs1 ZINC000298436279 532649151 /nfs/dbraw/zinc/64/91/51/532649151.db2.gz LPDXXGZVHWAGTA-GFCCVEGCSA-N -1 1 383.499 2.102 20 0 GEADMM COCC[C@@H]([N-]S(=O)(=O)c1ncccc1Br)c1ccco1 ZINC000656955019 532650206 /nfs/dbraw/zinc/65/02/06/532650206.db2.gz DOSHYRIKHMDGLZ-LLVKDONJSA-N -1 1 375.244 2.493 20 0 GEADMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](c2nc(C)cs2)C2CC2)on1 ZINC000599242551 532655556 /nfs/dbraw/zinc/65/55/56/532655556.db2.gz OKUUARSSAHLMOC-ZDUSSCGKSA-N -1 1 385.467 2.187 20 0 GEADMM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccncc2)C1)c1ncccc1Br ZINC000657002297 532657470 /nfs/dbraw/zinc/65/74/70/532657470.db2.gz IPSZGONMBJUBEF-GXTWGEPZSA-N -1 1 398.282 2.438 20 0 GEADMM CCSCC[C@H](C)N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000439238269 532685864 /nfs/dbraw/zinc/68/58/64/532685864.db2.gz XBHBKGNZLHYUPC-NSHDSACASA-N -1 1 398.547 2.349 20 0 GEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H]1n1cccn1 ZINC000568133841 532671955 /nfs/dbraw/zinc/67/19/55/532671955.db2.gz NEWSKCQGHNQSHX-YUELXQCFSA-N -1 1 380.242 2.500 20 0 GEADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccccc2Br)n[n-]1 ZINC000603167715 532691816 /nfs/dbraw/zinc/69/18/16/532691816.db2.gz YLKFFTRSZDPVPT-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccccc2Br)[n-]1 ZINC000603167715 532691821 /nfs/dbraw/zinc/69/18/21/532691821.db2.gz YLKFFTRSZDPVPT-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccccc2Br)n1 ZINC000603167715 532691826 /nfs/dbraw/zinc/69/18/26/532691826.db2.gz YLKFFTRSZDPVPT-VIFPVBQESA-N -1 1 381.230 2.164 20 0 GEADMM Cn1nccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCO1 ZINC000569197211 532692444 /nfs/dbraw/zinc/69/24/44/532692444.db2.gz JUYTWIIXNVVNCO-YMTOWFKASA-N -1 1 375.372 2.036 20 0 GEADMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(=O)OC ZINC000488672987 532701007 /nfs/dbraw/zinc/70/10/07/532701007.db2.gz OQXUVHQXCZVHNQ-GFCCVEGCSA-N -1 1 386.214 2.347 20 0 GEADMM C[C@H]1CCC[C@]1(O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000381401134 532701386 /nfs/dbraw/zinc/70/13/86/532701386.db2.gz ONSAVPXVWMKDAJ-XPTSAGLGSA-N -1 1 375.206 2.278 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCc1ccccn1 ZINC000641974727 532703593 /nfs/dbraw/zinc/70/35/93/532703593.db2.gz XVBDIDIAKLBSQB-UHFFFAOYSA-N -1 1 388.276 2.026 20 0 GEADMM CC[C@@]1(CO)CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000440086299 532707516 /nfs/dbraw/zinc/70/75/16/532707516.db2.gz GGGUZEKNJKPKNX-AWEZNQCLSA-N -1 1 375.206 2.374 20 0 GEADMM Cn1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)cc1C(=O)[O-] ZINC000392198495 532707937 /nfs/dbraw/zinc/70/79/37/532707937.db2.gz WIIXMIMKYNWOTD-UHFFFAOYSA-N -1 1 380.813 2.363 20 0 GEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1)[C@H](C)CC ZINC000489564172 532709856 /nfs/dbraw/zinc/70/98/56/532709856.db2.gz RNPGKCPTCBGEEK-ZIAGYGMSSA-N -1 1 377.503 2.007 20 0 GEADMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000573792487 532712065 /nfs/dbraw/zinc/71/20/65/532712065.db2.gz CEZCIADABWKIOQ-QWHCGFSZSA-N -1 1 375.443 2.206 20 0 GEADMM CCCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)[nH]n1 ZINC000539232422 532727199 /nfs/dbraw/zinc/72/71/99/532727199.db2.gz FWVIYDXUPGMJPU-UHFFFAOYSA-N -1 1 391.902 2.361 20 0 GEADMM CC(C)(CNC(=O)c1cc(=O)n2[n-]cnc2n1)c1c(Cl)cccc1Cl ZINC000576792420 532728794 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CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCN(C)C1=O ZINC000290172436 532874573 /nfs/dbraw/zinc/87/45/73/532874573.db2.gz YCUFYXOMHLCRJD-LLVKDONJSA-N -1 1 378.226 2.006 20 0 GEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)o1 ZINC000416408111 532876788 /nfs/dbraw/zinc/87/67/88/532876788.db2.gz NYNDTHYUUCEEOW-LLVKDONJSA-N -1 1 377.413 2.488 20 0 GEADMM CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349522324 532882274 /nfs/dbraw/zinc/88/22/74/532882274.db2.gz MUMAEGLILUYUDC-UHFFFAOYSA-N -1 1 389.543 2.116 20 0 GEADMM Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C2CCCC2)n1 ZINC000349595185 532883488 /nfs/dbraw/zinc/88/34/88/532883488.db2.gz XBYZICAOQCQFPE-UHFFFAOYSA-N -1 1 389.543 2.116 20 0 GEADMM CC[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349497853 532881354 /nfs/dbraw/zinc/88/13/54/532881354.db2.gz CCJICZQPULSRLY-CYBMUJFWSA-N -1 1 395.934 2.071 20 0 GEADMM C[C@@H](CNC(=O)c1c([O-])cnc2c(Br)cccc21)c1nncn1C ZINC000290624137 532885259 /nfs/dbraw/zinc/88/52/59/532885259.db2.gz CIWHKBMQCSUFRG-VIFPVBQESA-N -1 1 390.241 2.365 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1ccc(F)c(C)c1 ZINC000420687999 532885260 /nfs/dbraw/zinc/88/52/60/532885260.db2.gz KPGWGDQLJYGNKP-HOCLYGCPSA-N -1 1 375.462 2.329 20 0 GEADMM CC[C@@H]1C[C@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccccn1 ZINC000349609005 532884216 /nfs/dbraw/zinc/88/42/16/532884216.db2.gz HMHDEYDRAWROPC-LSDHHAIUSA-N -1 1 389.543 2.054 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CCSC1 ZINC000290990741 532894437 /nfs/dbraw/zinc/89/44/37/532894437.db2.gz ZSSLEZUHDYAOLI-SECBINFHSA-N -1 1 383.322 2.141 20 0 GEADMM CCOc1cc(C(=O)N(C)CCOCCOCCOC)cc(Cl)c1[O-] ZINC000276286514 532892783 /nfs/dbraw/zinc/89/27/83/532892783.db2.gz WFZHFXNUDIBCDV-UHFFFAOYSA-N -1 1 375.849 2.196 20 0 GEADMM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CCN(C2CCOCC2)CC1 ZINC000363941126 532902153 /nfs/dbraw/zinc/90/21/53/532902153.db2.gz VRHZYTXYAALXSS-UHFFFAOYSA-N -1 1 379.511 2.017 20 0 GEADMM COCC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000291462892 532902540 /nfs/dbraw/zinc/90/25/40/532902540.db2.gz DFYSTBJQXNLCCR-UHFFFAOYSA-N -1 1 395.308 2.205 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCOC2(CCC2)C1 ZINC000291509296 532903023 /nfs/dbraw/zinc/90/30/23/532903023.db2.gz TVKIKCIZJQMVEX-UHFFFAOYSA-N -1 1 393.292 2.053 20 0 GEADMM CCCN(CC(=O)NC)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291522254 532903502 /nfs/dbraw/zinc/90/35/02/532903502.db2.gz RXPLDUSXVBUFKQ-UHFFFAOYSA-N -1 1 380.242 2.301 20 0 GEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCCc1nccs1 ZINC000291839922 532909482 /nfs/dbraw/zinc/90/94/82/532909482.db2.gz GRWDLZQTSYSCOF-GHMZBOCLSA-N -1 1 378.420 2.317 20 0 GEADMM O=C([N-]CC1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000291759499 532908377 /nfs/dbraw/zinc/90/83/77/532908377.db2.gz UTEPNSMJSDVKQU-ZDUSSCGKSA-N -1 1 378.778 2.291 20 0 GEADMM O=S(=O)([N-]Cc1nnc(-c2ccncc2F)s1)c1cccc(F)c1F ZINC000366550971 532918870 /nfs/dbraw/zinc/91/88/70/532918870.db2.gz ZIMVIUYPFJVDCY-UHFFFAOYSA-N -1 1 386.380 2.496 20 0 GEADMM Cn1cc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c(C(F)(F)F)n1 ZINC000293326197 532925263 /nfs/dbraw/zinc/92/52/63/532925263.db2.gz CNEKJQBXFIDGND-UHFFFAOYSA-N -1 1 393.372 2.029 20 0 GEADMM CO[C@H](C)CS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000367038119 532922554 /nfs/dbraw/zinc/92/25/54/532922554.db2.gz XDAZHTXZZXMXBK-AMIZOPFISA-N -1 1 377.825 2.214 20 0 GEADMM Nc1nccc([C@@H]2CCCN(C(=O)c3cc(Br)ccc3[O-])C2)n1 ZINC000367120665 532922664 /nfs/dbraw/zinc/92/26/64/532922664.db2.gz HDLBMCBQHLFLHL-SNVBAGLBSA-N -1 1 377.242 2.547 20 0 GEADMM CCOc1cc(C(=O)N2CCC(CS(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000293587951 532929095 /nfs/dbraw/zinc/92/90/95/532929095.db2.gz AUDWDUTZIWFVME-UHFFFAOYSA-N -1 1 375.874 2.341 20 0 GEADMM O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370857957 532945849 /nfs/dbraw/zinc/94/58/49/532945849.db2.gz AWKWWZAKYPPWMK-LLVKDONJSA-N -1 1 392.630 2.139 20 0 GEADMM O=C(CCOc1cccc(Br)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000371361097 532947725 /nfs/dbraw/zinc/94/77/25/532947725.db2.gz QNFFLOYIPFJSBA-NSHDSACASA-N -1 1 380.246 2.137 20 0 GEADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911176 222069813 /nfs/dbraw/zinc/06/98/13/222069813.db2.gz OVMMRGXFADFSQX-UHFFFAOYSA-N -1 1 398.359 2.293 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000095969794 222367132 /nfs/dbraw/zinc/36/71/32/222367132.db2.gz SNBOZGLQKKDHRO-UHFFFAOYSA-N -1 1 392.433 2.089 20 0 GEADMM Cc1nnc(CC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)o1 ZINC000737519601 598834182 /nfs/dbraw/zinc/83/41/82/598834182.db2.gz AVOACVSACNBSLG-UHFFFAOYSA-N -1 1 381.421 2.146 20 0 GEADMM Cn1cccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1=O ZINC000737614681 598836073 /nfs/dbraw/zinc/83/60/73/598836073.db2.gz XPSYCSZFZVHWNH-UHFFFAOYSA-N -1 1 392.444 2.224 20 0 GEADMM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172338 598850562 /nfs/dbraw/zinc/85/05/62/598850562.db2.gz HQUMPQCPRDQBHT-CYBMUJFWSA-N -1 1 383.387 2.244 20 0 GEADMM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172338 598850563 /nfs/dbraw/zinc/85/05/63/598850563.db2.gz HQUMPQCPRDQBHT-CYBMUJFWSA-N -1 1 383.387 2.244 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1c1cccnc1 ZINC000738355157 598874543 /nfs/dbraw/zinc/87/45/43/598874543.db2.gz MEKWXSHSRRCSEU-ZDUSSCGKSA-N -1 1 390.856 2.441 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1c1cccnc1 ZINC000738355157 598874545 /nfs/dbraw/zinc/87/45/45/598874545.db2.gz MEKWXSHSRRCSEU-ZDUSSCGKSA-N -1 1 390.856 2.441 20 0 GEADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000737263953 598874692 /nfs/dbraw/zinc/87/46/92/598874692.db2.gz MMNDYLQZXNSVGO-LBPRGKRZSA-N -1 1 394.844 2.342 20 0 GEADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000737263953 598874693 /nfs/dbraw/zinc/87/46/93/598874693.db2.gz MMNDYLQZXNSVGO-LBPRGKRZSA-N -1 1 394.844 2.342 20 0 GEADMM COC[C@H](C)S(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736969220 598877300 /nfs/dbraw/zinc/87/73/00/598877300.db2.gz KRFSNAHMPIZTQT-NSHDSACASA-N -1 1 393.494 2.050 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)c1ccsc1 ZINC000737549868 598892174 /nfs/dbraw/zinc/89/21/74/598892174.db2.gz ZLWYCBADGVQTIE-GFCCVEGCSA-N -1 1 384.421 2.084 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)c1ccsc1 ZINC000737549868 598892177 /nfs/dbraw/zinc/89/21/77/598892177.db2.gz ZLWYCBADGVQTIE-GFCCVEGCSA-N -1 1 384.421 2.084 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)NCC1(O)CCC1 ZINC000738111711 598907605 /nfs/dbraw/zinc/90/76/05/598907605.db2.gz JFJLXCWDCKTORT-UHFFFAOYSA-N -1 1 384.465 2.309 20 0 GEADMM Cc1ccc(C(=O)NCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1F ZINC000737313700 598934773 /nfs/dbraw/zinc/93/47/73/598934773.db2.gz YPYSIUPAZZKOQP-UHFFFAOYSA-N -1 1 392.398 2.099 20 0 GEADMM Cc1ccc(C(=O)NCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1F ZINC000737313700 598934775 /nfs/dbraw/zinc/93/47/75/598934775.db2.gz YPYSIUPAZZKOQP-UHFFFAOYSA-N -1 1 392.398 2.099 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)c3snc(Cl)c3-c3nnn[n-]3)C2)nn1 ZINC000737350362 598941388 /nfs/dbraw/zinc/94/13/88/598941388.db2.gz FRMUPWBSGOSNKQ-JTQLQIEISA-N -1 1 391.892 2.180 20 0 GEADMM Cc1ccc(N2CCC[C@H](N(C)c3snc(Cl)c3-c3nn[n-]n3)C2)nn1 ZINC000737350362 598941390 /nfs/dbraw/zinc/94/13/90/598941390.db2.gz FRMUPWBSGOSNKQ-JTQLQIEISA-N -1 1 391.892 2.180 20 0 GEADMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)cc21 ZINC000736731898 598948290 /nfs/dbraw/zinc/94/82/90/598948290.db2.gz RQRAEUCARLGBAI-UHFFFAOYSA-N -1 1 383.437 2.346 20 0 GEADMM O=S(=O)([N-]CCC(F)(F)F)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000823573637 599378720 /nfs/dbraw/zinc/37/87/20/599378720.db2.gz YEQJGJRNFAVXHV-UHFFFAOYSA-N -1 1 389.281 2.116 20 0 GEADMM COCC(=O)Nc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736965822 598958366 /nfs/dbraw/zinc/95/83/66/598958366.db2.gz HTBXTRSKUITDDH-UHFFFAOYSA-N -1 1 390.407 2.007 20 0 GEADMM COCC(=O)Nc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736965822 598958368 /nfs/dbraw/zinc/95/83/68/598958368.db2.gz HTBXTRSKUITDDH-UHFFFAOYSA-N -1 1 390.407 2.007 20 0 GEADMM COc1cccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c1OC ZINC000737132121 598960151 /nfs/dbraw/zinc/96/01/51/598960151.db2.gz WEPQVMPNFKENKV-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM COc1cccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c1OC ZINC000737132121 598960152 /nfs/dbraw/zinc/96/01/52/598960152.db2.gz WEPQVMPNFKENKV-UHFFFAOYSA-N -1 1 377.408 2.482 20 0 GEADMM Cc1cc(C)n([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737255526 598967166 /nfs/dbraw/zinc/96/71/66/598967166.db2.gz IOXWUKQLNJFSLS-AWEZNQCLSA-N -1 1 375.440 2.465 20 0 GEADMM Cc1cc(C)n([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737255526 598967168 /nfs/dbraw/zinc/96/71/68/598967168.db2.gz IOXWUKQLNJFSLS-AWEZNQCLSA-N -1 1 375.440 2.465 20 0 GEADMM CC(=O)N(c1nc(COC(=O)c2sccc2-c2nn[n-]n2)cs1)C1CC1 ZINC000735460598 598963975 /nfs/dbraw/zinc/96/39/75/598963975.db2.gz KMICXEBZPZYXKM-UHFFFAOYSA-N -1 1 390.450 2.257 20 0 GEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000737301133 598969324 /nfs/dbraw/zinc/96/93/24/598969324.db2.gz IGQWBAIDRJPFRN-UHFFFAOYSA-N -1 1 395.448 2.376 20 0 GEADMM COC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736949137 598983189 /nfs/dbraw/zinc/98/31/89/598983189.db2.gz CUHHUBSUYNVFCT-UHFFFAOYSA-N -1 1 375.344 2.421 20 0 GEADMM COC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736949137 598983190 /nfs/dbraw/zinc/98/31/90/598983190.db2.gz CUHHUBSUYNVFCT-UHFFFAOYSA-N -1 1 375.344 2.421 20 0 GEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)OCCO2 ZINC000735721839 598984667 /nfs/dbraw/zinc/98/46/67/598984667.db2.gz RINXDBIJXGKRTQ-QGZVFWFLSA-N -1 1 380.408 2.160 20 0 GEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)OCCO2 ZINC000735721839 598984668 /nfs/dbraw/zinc/98/46/68/598984668.db2.gz RINXDBIJXGKRTQ-QGZVFWFLSA-N -1 1 380.408 2.160 20 0 GEADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828577 598986135 /nfs/dbraw/zinc/98/61/35/598986135.db2.gz OAKYEEHOVRFIEA-UHFFFAOYSA-N -1 1 378.314 2.433 20 0 GEADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828577 598986137 /nfs/dbraw/zinc/98/61/37/598986137.db2.gz OAKYEEHOVRFIEA-UHFFFAOYSA-N -1 1 378.314 2.433 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736117769 598988003 /nfs/dbraw/zinc/98/80/03/598988003.db2.gz GUNCNCZMMHRACF-NSHDSACASA-N -1 1 377.408 2.101 20 0 GEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736117769 598988005 /nfs/dbraw/zinc/98/80/05/598988005.db2.gz GUNCNCZMMHRACF-NSHDSACASA-N -1 1 377.408 2.101 20 0 GEADMM C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736287825 598993782 /nfs/dbraw/zinc/99/37/82/598993782.db2.gz GHGQGKRFJWIJRP-KBPBESRZSA-N -1 1 393.451 2.123 20 0 GEADMM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087772 598994866 /nfs/dbraw/zinc/99/48/66/598994866.db2.gz AYATXQIEXHTUEF-UHFFFAOYSA-N -1 1 378.314 2.089 20 0 GEADMM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087772 598994868 /nfs/dbraw/zinc/99/48/68/598994868.db2.gz AYATXQIEXHTUEF-UHFFFAOYSA-N -1 1 378.314 2.089 20 0 GEADMM O=C(NCc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738102709 598996598 /nfs/dbraw/zinc/99/65/98/598996598.db2.gz ACGNWCYIZGOXHD-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(NCc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738102709 598996600 /nfs/dbraw/zinc/99/66/00/598996600.db2.gz ACGNWCYIZGOXHD-UHFFFAOYSA-N -1 1 377.177 2.093 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000738260055 599000973 /nfs/dbraw/zinc/00/09/73/599000973.db2.gz YBKSYCIJIXGPKN-INIZCTEOSA-N -1 1 382.399 2.222 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000738260055 599000975 /nfs/dbraw/zinc/00/09/75/599000975.db2.gz YBKSYCIJIXGPKN-INIZCTEOSA-N -1 1 382.399 2.222 20 0 GEADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1(C)C ZINC000736609785 599008457 /nfs/dbraw/zinc/00/84/57/599008457.db2.gz FTBBGDWJBOKDIB-OLZOCXBDSA-N -1 1 399.904 2.344 20 0 GEADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1(C)C ZINC000736609785 599008458 /nfs/dbraw/zinc/00/84/58/599008458.db2.gz FTBBGDWJBOKDIB-OLZOCXBDSA-N -1 1 399.904 2.344 20 0 GEADMM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738041512 599015839 /nfs/dbraw/zinc/01/58/39/599015839.db2.gz RWJQHNSVLVDKCW-LBPRGKRZSA-N -1 1 379.207 2.032 20 0 GEADMM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738041512 599015840 /nfs/dbraw/zinc/01/58/40/599015840.db2.gz RWJQHNSVLVDKCW-LBPRGKRZSA-N -1 1 379.207 2.032 20 0 GEADMM CC1CCN(Cc2csc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)CC1 ZINC000736276171 599023382 /nfs/dbraw/zinc/02/33/82/599023382.db2.gz MKZZLODPAVTFLZ-UHFFFAOYSA-N -1 1 384.469 2.202 20 0 GEADMM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736296844 599025487 /nfs/dbraw/zinc/02/54/87/599025487.db2.gz KAZWXNWVWIWKQL-CQSZACIVSA-N -1 1 389.463 2.318 20 0 GEADMM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736296844 599025489 /nfs/dbraw/zinc/02/54/89/599025489.db2.gz KAZWXNWVWIWKQL-CQSZACIVSA-N -1 1 389.463 2.318 20 0 GEADMM O=C(Oc1ccc(O[C@@H]2CCCCNC2=O)cc1)c1sccc1-c1nn[n-]n1 ZINC000738247205 599027057 /nfs/dbraw/zinc/02/70/57/599027057.db2.gz OKYYNIUWGUBIJA-CQSZACIVSA-N -1 1 399.432 2.195 20 0 GEADMM CC(C)N(CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000735860210 599029203 /nfs/dbraw/zinc/02/92/03/599029203.db2.gz AQKNQVUNNDPEFJ-UHFFFAOYSA-N -1 1 389.460 2.027 20 0 GEADMM CC(C)N(CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000735860210 599029205 /nfs/dbraw/zinc/02/92/05/599029205.db2.gz AQKNQVUNNDPEFJ-UHFFFAOYSA-N -1 1 389.460 2.027 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2[nH]c3ccccc3c2C1 ZINC000738354068 599033818 /nfs/dbraw/zinc/03/38/18/599033818.db2.gz HCNNCUUZJFWHEA-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2[nH]c3ccccc3c2C1 ZINC000738354068 599033820 /nfs/dbraw/zinc/03/38/20/599033820.db2.gz HCNNCUUZJFWHEA-UHFFFAOYSA-N -1 1 398.423 2.234 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000819933183 599056851 /nfs/dbraw/zinc/05/68/51/599056851.db2.gz IUDNSKFJRQVAOE-CYBMUJFWSA-N -1 1 382.428 2.335 20 0 GEADMM CC(C)(C)OC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000819933183 599056854 /nfs/dbraw/zinc/05/68/54/599056854.db2.gz IUDNSKFJRQVAOE-CYBMUJFWSA-N -1 1 382.428 2.335 20 0 GEADMM CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736510048 599084590 /nfs/dbraw/zinc/08/45/90/599084590.db2.gz OOALCVRACROSBI-NSHDSACASA-N -1 1 376.417 2.173 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000737488489 599088124 /nfs/dbraw/zinc/08/81/24/599088124.db2.gz WECRTDYNRDVJMV-CHWSQXEVSA-N -1 1 396.499 2.496 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000737488489 599088128 /nfs/dbraw/zinc/08/81/28/599088128.db2.gz WECRTDYNRDVJMV-CHWSQXEVSA-N -1 1 396.499 2.496 20 0 GEADMM CCc1ccc2c(COC(=O)c3ccc(-c4nnn[n-]4)nc3)cc(=O)oc2c1 ZINC000736692809 599131896 /nfs/dbraw/zinc/13/18/96/599131896.db2.gz YYKNKBKLSXIPHC-UHFFFAOYSA-N -1 1 377.360 2.288 20 0 GEADMM CCc1ccc2c(COC(=O)c3ccc(-c4nn[n-]n4)nc3)cc(=O)oc2c1 ZINC000736692809 599131898 /nfs/dbraw/zinc/13/18/98/599131898.db2.gz YYKNKBKLSXIPHC-UHFFFAOYSA-N -1 1 377.360 2.288 20 0 GEADMM Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737262764 599132176 /nfs/dbraw/zinc/13/21/76/599132176.db2.gz GEUWQQDILMQYMM-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737262764 599132177 /nfs/dbraw/zinc/13/21/77/599132177.db2.gz GEUWQQDILMQYMM-JTQLQIEISA-N -1 1 386.799 2.408 20 0 GEADMM O=C(OCCCc1nc(-c2cccs2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738221398 599132807 /nfs/dbraw/zinc/13/28/07/599132807.db2.gz JGKPQNPHMXJABH-UHFFFAOYSA-N -1 1 383.393 2.163 20 0 GEADMM O=C(OCCCc1nc(-c2cccs2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738221398 599132809 /nfs/dbraw/zinc/13/28/09/599132809.db2.gz JGKPQNPHMXJABH-UHFFFAOYSA-N -1 1 383.393 2.163 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736158833 599142776 /nfs/dbraw/zinc/14/27/76/599142776.db2.gz SMFUGEZAMDJTCF-CHWSQXEVSA-N -1 1 392.419 2.175 20 0 GEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000736158833 599142778 /nfs/dbraw/zinc/14/27/78/599142778.db2.gz SMFUGEZAMDJTCF-CHWSQXEVSA-N -1 1 392.419 2.175 20 0 GEADMM Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737328888 599179610 /nfs/dbraw/zinc/17/96/10/599179610.db2.gz DVVFEWFVMIBWEM-AWEZNQCLSA-N -1 1 377.401 2.433 20 0 GEADMM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823161039 599187055 /nfs/dbraw/zinc/18/70/55/599187055.db2.gz KEQSCUZQITUPBZ-NSHDSACASA-N -1 1 377.191 2.432 20 0 GEADMM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823161039 599187056 /nfs/dbraw/zinc/18/70/56/599187056.db2.gz KEQSCUZQITUPBZ-NSHDSACASA-N -1 1 377.191 2.432 20 0 GEADMM O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738342767 599194037 /nfs/dbraw/zinc/19/40/37/599194037.db2.gz PPVWQMYYWHXDOQ-UHFFFAOYSA-N -1 1 385.453 2.053 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cnn(CC(F)F)c1 ZINC000737549683 599205293 /nfs/dbraw/zinc/20/52/93/599205293.db2.gz XBWOYFCRZLEFPV-UHFFFAOYSA-N -1 1 388.338 2.273 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cnn(CC(F)F)c1 ZINC000737549683 599205296 /nfs/dbraw/zinc/20/52/96/599205296.db2.gz XBWOYFCRZLEFPV-UHFFFAOYSA-N -1 1 388.338 2.273 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822234024 599219440 /nfs/dbraw/zinc/21/94/40/599219440.db2.gz ZZRBHIQSDKLTLC-MAUKXSAKSA-N -1 1 378.436 2.468 20 0 GEADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822234024 599219443 /nfs/dbraw/zinc/21/94/43/599219443.db2.gz ZZRBHIQSDKLTLC-MAUKXSAKSA-N -1 1 378.436 2.468 20 0 GEADMM O=C([O-])C[C@H]1CCCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000819357500 597058903 /nfs/dbraw/zinc/05/89/03/597058903.db2.gz ATDPVVFUNCMVQQ-GOSISDBHSA-N -1 1 388.512 2.095 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2C)c(=O)[n-]1 ZINC000821988839 607267780 /nfs/dbraw/zinc/26/77/80/607267780.db2.gz HTFHJNFZLRHLPB-UHFFFAOYSA-N -1 1 385.453 2.272 20 0 GEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000819381012 597079085 /nfs/dbraw/zinc/07/90/85/597079085.db2.gz XOZDOQGDACJJCS-HNNXBMFYSA-N -1 1 387.480 2.484 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000737270224 599242852 /nfs/dbraw/zinc/24/28/52/599242852.db2.gz LPSYINLUVPYZIS-INIZCTEOSA-N -1 1 396.382 2.062 20 0 GEADMM Cc1cc(F)ccc1N1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000737270224 599242855 /nfs/dbraw/zinc/24/28/55/599242855.db2.gz LPSYINLUVPYZIS-INIZCTEOSA-N -1 1 396.382 2.062 20 0 GEADMM COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccccc3CC(=O)[O-])n2)cc1 ZINC000818570776 597323070 /nfs/dbraw/zinc/32/30/70/597323070.db2.gz VIWSUUNAZHJZPA-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM COc1ccc(-c2nc(CNC(=O)Nc3ccccc3CC(=O)[O-])n[nH]2)cc1 ZINC000818570776 597323075 /nfs/dbraw/zinc/32/30/75/597323075.db2.gz VIWSUUNAZHJZPA-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000737172062 599262078 /nfs/dbraw/zinc/26/20/78/599262078.db2.gz RLAYQBKRARTKDD-XMMPIXPASA-N -1 1 397.869 2.058 20 0 GEADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc1 ZINC000533189332 597464675 /nfs/dbraw/zinc/46/46/75/597464675.db2.gz NZCHRTIEITYISH-LBPRGKRZSA-N -1 1 392.433 2.041 20 0 GEADMM C[C@@H](C(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1)n1cncn1 ZINC000819866980 607312144 /nfs/dbraw/zinc/31/21/44/607312144.db2.gz PQWVDRXTYMBTNF-NSHDSACASA-N -1 1 395.452 2.332 20 0 GEADMM O=C([O-])[C@H]1CCCN1C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000269111503 597514366 /nfs/dbraw/zinc/51/43/66/597514366.db2.gz JFLMDZQCIORTGP-OAHLLOKOSA-N -1 1 389.477 2.321 20 0 GEADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000822699200 607305602 /nfs/dbraw/zinc/30/56/02/607305602.db2.gz RYAKYFBUYRBRIH-ACJLOTCBSA-N -1 1 390.451 2.098 20 0 GEADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000822699200 607305603 /nfs/dbraw/zinc/30/56/03/607305603.db2.gz RYAKYFBUYRBRIH-ACJLOTCBSA-N -1 1 390.451 2.098 20 0 GEADMM CC(C)[C@H](NC(=O)CN1CC[C@H](C(=O)[O-])C1)c1ccc2c(c1)OCCCO2 ZINC000262641282 597530280 /nfs/dbraw/zinc/53/02/80/597530280.db2.gz JALUEUICSFZYFE-KXBFYZLASA-N -1 1 376.453 2.068 20 0 GEADMM CC(=O)NCCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@@H](C)C(=O)[O-] ZINC000819753108 597694968 /nfs/dbraw/zinc/69/49/68/597694968.db2.gz ORUDRKZMRXGKSL-JTQLQIEISA-N -1 1 378.812 2.250 20 0 GEADMM Cc1nc2ccccc2n1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822462326 607322202 /nfs/dbraw/zinc/32/22/02/607322202.db2.gz GTBAUHNSUXWYBB-UHFFFAOYSA-N -1 1 379.428 2.115 20 0 GEADMM Cc1nc2ccccc2n1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000822462326 607322203 /nfs/dbraw/zinc/32/22/03/607322203.db2.gz GTBAUHNSUXWYBB-UHFFFAOYSA-N -1 1 379.428 2.115 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000819940361 607326775 /nfs/dbraw/zinc/32/67/75/607326775.db2.gz YNELBFMMBXSIIF-QMMMGPOBSA-N -1 1 385.881 2.470 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000819940361 607326776 /nfs/dbraw/zinc/32/67/76/607326776.db2.gz YNELBFMMBXSIIF-QMMMGPOBSA-N -1 1 385.881 2.470 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738352888 598254732 /nfs/dbraw/zinc/25/47/32/598254732.db2.gz BSVNCEIJMKLKAT-GFCCVEGCSA-N -1 1 391.403 2.323 20 0 GEADMM CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccn1 ZINC000736431775 598260383 /nfs/dbraw/zinc/26/03/83/598260383.db2.gz TYGSVBWXMCPXCX-CYBMUJFWSA-N -1 1 385.453 2.355 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3c(C)cccc3C2)cc1-c1nn[n-]n1 ZINC000737187741 598260552 /nfs/dbraw/zinc/26/05/52/598260552.db2.gz SZFIJYVXEHYDFT-UHFFFAOYSA-N -1 1 382.449 2.196 20 0 GEADMM CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736793805 598263482 /nfs/dbraw/zinc/26/34/82/598263482.db2.gz LTDRLWIWOGVOOY-UHFFFAOYSA-N -1 1 388.497 2.099 20 0 GEADMM CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736793805 598263483 /nfs/dbraw/zinc/26/34/83/598263483.db2.gz LTDRLWIWOGVOOY-UHFFFAOYSA-N -1 1 388.497 2.099 20 0 GEADMM CCc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736692562 598265589 /nfs/dbraw/zinc/26/55/89/598265589.db2.gz RJWXLVXINIGGKO-UHFFFAOYSA-N -1 1 384.465 2.177 20 0 GEADMM CCc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736692562 598265591 /nfs/dbraw/zinc/26/55/91/598265591.db2.gz RJWXLVXINIGGKO-UHFFFAOYSA-N -1 1 384.465 2.177 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000738353758 598268522 /nfs/dbraw/zinc/26/85/22/598268522.db2.gz GPFQITIYTOJDLO-QGZVFWFLSA-N -1 1 382.449 2.102 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000738353758 598268524 /nfs/dbraw/zinc/26/85/24/598268524.db2.gz GPFQITIYTOJDLO-QGZVFWFLSA-N -1 1 382.449 2.102 20 0 GEADMM Cc1nnc([N-]C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)s1 ZINC000737523518 598326011 /nfs/dbraw/zinc/32/60/11/598326011.db2.gz ZUTOPAGOIPHABG-UHFFFAOYSA-N -1 1 383.393 2.451 20 0 GEADMM COc1cc(C=O)c(Br)cc1Oc1nccnc1-c1nn[n-]n1 ZINC000737044860 598349986 /nfs/dbraw/zinc/34/99/86/598349986.db2.gz UUELVLYDTBTDPY-UHFFFAOYSA-N -1 1 377.158 2.033 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2(C)CCOCC2)c1-c1nn[n-]n1 ZINC000737503731 598371405 /nfs/dbraw/zinc/37/14/05/598371405.db2.gz KNEVCTRISHRKNE-UHFFFAOYSA-N -1 1 382.424 2.221 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000737186980 598410736 /nfs/dbraw/zinc/41/07/36/598410736.db2.gz MVZAYLZUXLTLGQ-ZDUSSCGKSA-N -1 1 386.412 2.246 20 0 GEADMM CC(C)NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735887954 598411107 /nfs/dbraw/zinc/41/11/07/598411107.db2.gz GKJQNXVVFNEGRH-UHFFFAOYSA-N -1 1 399.382 2.480 20 0 GEADMM CC(C)NC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735887954 598411110 /nfs/dbraw/zinc/41/11/10/598411110.db2.gz GKJQNXVVFNEGRH-UHFFFAOYSA-N -1 1 399.382 2.480 20 0 GEADMM O=C(COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)NC1CC1 ZINC000737911663 598412288 /nfs/dbraw/zinc/41/22/88/598412288.db2.gz UAVZZVOYTFRCEC-UHFFFAOYSA-N -1 1 397.366 2.234 20 0 GEADMM O=C(COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)NC1CC1 ZINC000737911663 598412290 /nfs/dbraw/zinc/41/22/90/598412290.db2.gz UAVZZVOYTFRCEC-UHFFFAOYSA-N -1 1 397.366 2.234 20 0 GEADMM O=C(OCCn1cncn1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738220672 598412600 /nfs/dbraw/zinc/41/26/00/598412600.db2.gz AZBKKYZNJPHZGB-UHFFFAOYSA-N -1 1 395.354 2.247 20 0 GEADMM O=C(OCCn1cncn1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738220672 598412601 /nfs/dbraw/zinc/41/26/01/598412601.db2.gz AZBKKYZNJPHZGB-UHFFFAOYSA-N -1 1 395.354 2.247 20 0 GEADMM CCn1nc(C)c(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1C ZINC000736729572 598447017 /nfs/dbraw/zinc/44/70/17/598447017.db2.gz WDLARGQHIMZHGC-UHFFFAOYSA-N -1 1 394.439 2.322 20 0 GEADMM CCn1nc(C)c(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1C ZINC000736729572 598447019 /nfs/dbraw/zinc/44/70/19/598447019.db2.gz WDLARGQHIMZHGC-UHFFFAOYSA-N -1 1 394.439 2.322 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1nccnc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000736636819 598467313 /nfs/dbraw/zinc/46/73/13/598467313.db2.gz SSUBJNYNKDQCKW-JKOKRWQUSA-N -1 1 379.424 2.347 20 0 GEADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1nccnc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000736636819 598467315 /nfs/dbraw/zinc/46/73/15/598467315.db2.gz SSUBJNYNKDQCKW-JKOKRWQUSA-N -1 1 379.424 2.347 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2ccc3[nH]ccc3c2)c(-c2nn[n-]n2)c1C ZINC000737551910 598476115 /nfs/dbraw/zinc/47/61/15/598476115.db2.gz LEXHAOKSBQKBHY-UHFFFAOYSA-N -1 1 380.364 2.353 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nc2c(s1)COCC2 ZINC000737549876 598500643 /nfs/dbraw/zinc/50/06/43/598500643.db2.gz ZOXCEDCLOJLWAF-UHFFFAOYSA-N -1 1 397.420 2.340 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nc2c(s1)COCC2 ZINC000737549876 598500645 /nfs/dbraw/zinc/50/06/45/598500645.db2.gz ZOXCEDCLOJLWAF-UHFFFAOYSA-N -1 1 397.420 2.340 20 0 GEADMM Nc1n[nH]c(CCCNc2nc(C(F)F)nc3ccccc32)c1-c1nnn[n-]1 ZINC000737769909 598536538 /nfs/dbraw/zinc/53/65/38/598536538.db2.gz QOYWORAOFPAZHQ-UHFFFAOYSA-N -1 1 386.370 2.098 20 0 GEADMM Nc1n[nH]c(CCCNc2nc(C(F)F)nc3ccccc32)c1-c1nn[n-]n1 ZINC000737769909 598536540 /nfs/dbraw/zinc/53/65/40/598536540.db2.gz QOYWORAOFPAZHQ-UHFFFAOYSA-N -1 1 386.370 2.098 20 0 GEADMM Clc1ccc(N2CCC[C@@H](c3nnc4ccccn43)C2)nc1-c1nnn[n-]1 ZINC000737577389 598571381 /nfs/dbraw/zinc/57/13/81/598571381.db2.gz VXXBVTIKDCBDEG-LLVKDONJSA-N -1 1 381.831 2.342 20 0 GEADMM Clc1ccc(N2CCC[C@@H](c3nnc4ccccn43)C2)nc1-c1nn[n-]n1 ZINC000737577389 598571382 /nfs/dbraw/zinc/57/13/82/598571382.db2.gz VXXBVTIKDCBDEG-LLVKDONJSA-N -1 1 381.831 2.342 20 0 GEADMM O=C(c1ccccc1)N1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738277240 598573513 /nfs/dbraw/zinc/57/35/13/598573513.db2.gz ANJMPPVZJPWLEC-UHFFFAOYSA-N -1 1 383.843 2.268 20 0 GEADMM O=C(c1ccccc1)N1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738277240 598573514 /nfs/dbraw/zinc/57/35/14/598573514.db2.gz ANJMPPVZJPWLEC-UHFFFAOYSA-N -1 1 383.843 2.268 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000735636507 598578600 /nfs/dbraw/zinc/57/86/00/598578600.db2.gz XQWLTXWJHACWNI-JTQLQIEISA-N -1 1 379.852 2.266 20 0 GEADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000735636507 598578601 /nfs/dbraw/zinc/57/86/01/598578601.db2.gz XQWLTXWJHACWNI-JTQLQIEISA-N -1 1 379.852 2.266 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(-c2ccc(O)cc2)no1 ZINC000737202248 598608686 /nfs/dbraw/zinc/60/86/86/598608686.db2.gz YPDLUDAWCTZCFM-UHFFFAOYSA-N -1 1 379.380 2.125 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(C2CCCC2)no1 ZINC000737488244 598610120 /nfs/dbraw/zinc/61/01/20/598610120.db2.gz SIILQPYMHCQYLD-UHFFFAOYSA-N -1 1 379.428 2.352 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(C2CCCC2)no1 ZINC000737488244 598610121 /nfs/dbraw/zinc/61/01/21/598610121.db2.gz SIILQPYMHCQYLD-UHFFFAOYSA-N -1 1 379.428 2.352 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2cccc(Cl)c21 ZINC000738355620 598692308 /nfs/dbraw/zinc/69/23/08/598692308.db2.gz RISUORKEHGNTDW-UHFFFAOYSA-N -1 1 379.804 2.411 20 0 GEADMM CCOc1cccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736654239 598693116 /nfs/dbraw/zinc/69/31/16/598693116.db2.gz HWTXZSOMLJOCGW-LLVKDONJSA-N -1 1 391.428 2.444 20 0 GEADMM CN([C@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736748816 598695008 /nfs/dbraw/zinc/69/50/08/598695008.db2.gz XPBMOMIAELRFTI-CYBMUJFWSA-N -1 1 398.370 2.186 20 0 GEADMM CN([C@H](c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736748816 598695010 /nfs/dbraw/zinc/69/50/10/598695010.db2.gz XPBMOMIAELRFTI-CYBMUJFWSA-N -1 1 398.370 2.186 20 0 GEADMM CC(C)N(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)C(C)C ZINC000735851297 598720534 /nfs/dbraw/zinc/72/05/34/598720534.db2.gz PICHFYRKXMFUOS-UHFFFAOYSA-N -1 1 388.859 2.480 20 0 GEADMM CN(Cc1ccco1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736828444 598721188 /nfs/dbraw/zinc/72/11/88/598721188.db2.gz JZRVFZQQTASKFY-UHFFFAOYSA-N -1 1 398.810 2.087 20 0 GEADMM COC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC000736947149 598721455 /nfs/dbraw/zinc/72/14/55/598721455.db2.gz DRXGXNSESKDSIK-UHFFFAOYSA-N -1 1 385.767 2.263 20 0 GEADMM COCC1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)CC1 ZINC000736971032 598767475 /nfs/dbraw/zinc/76/74/75/598767475.db2.gz GPZYVXZRNXHZCP-UHFFFAOYSA-N -1 1 388.497 2.360 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC/C=C/c1ccccc1 ZINC000737201894 598792158 /nfs/dbraw/zinc/79/21/58/598792158.db2.gz XJYDRCMRCCWGHT-RMKNXTFCSA-N -1 1 378.436 2.346 20 0 GEADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000737486305 598809634 /nfs/dbraw/zinc/80/96/34/598809634.db2.gz CZXLUXAEJHPABY-BWACUDIHSA-N -1 1 396.499 2.400 20 0 GEADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000737486305 598809635 /nfs/dbraw/zinc/80/96/35/598809635.db2.gz CZXLUXAEJHPABY-BWACUDIHSA-N -1 1 396.499 2.400 20 0 GEADMM CNC(=O)CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736870128 598812149 /nfs/dbraw/zinc/81/21/49/598812149.db2.gz FCPMAZSVQDTMCQ-UHFFFAOYSA-N -1 1 398.398 2.054 20 0 GEADMM CNC(=O)CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736870128 598812151 /nfs/dbraw/zinc/81/21/51/598812151.db2.gz FCPMAZSVQDTMCQ-UHFFFAOYSA-N -1 1 398.398 2.054 20 0 GEADMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000822238423 599304824 /nfs/dbraw/zinc/30/48/24/599304824.db2.gz HATLXAOBZALOMU-UHFFFAOYSA-N -1 1 379.829 2.122 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)cc1C(=O)[O-] ZINC000822259229 599306741 /nfs/dbraw/zinc/30/67/41/599306741.db2.gz QFTRKWSVQRFOND-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)cc1C(=O)[O-] ZINC000822259507 599307351 /nfs/dbraw/zinc/30/73/51/599307351.db2.gz ZSWPRKXMZXOQSW-UHFFFAOYSA-N -1 1 393.812 2.328 20 0 GEADMM CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821610811 599336162 /nfs/dbraw/zinc/33/61/62/599336162.db2.gz GGXDYIYWKDONPD-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821610811 599336168 /nfs/dbraw/zinc/33/61/68/599336168.db2.gz GGXDYIYWKDONPD-UHFFFAOYSA-N -1 1 383.355 2.105 20 0 GEADMM CN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821592598 599345996 /nfs/dbraw/zinc/34/59/96/599345996.db2.gz MLXRRNGWOAOVJN-AWEZNQCLSA-N -1 1 387.440 2.184 20 0 GEADMM CN([C@H]1CCc2ccccc2C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821592598 599345999 /nfs/dbraw/zinc/34/59/99/599345999.db2.gz MLXRRNGWOAOVJN-AWEZNQCLSA-N -1 1 387.440 2.184 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCC2(CCOCC2)C1 ZINC000823607031 599355213 /nfs/dbraw/zinc/35/52/13/599355213.db2.gz PJTPVIDUSWKGKX-UHFFFAOYSA-N -1 1 397.888 2.101 20 0 GEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCC2(CCOCC2)C1 ZINC000823607031 599355215 /nfs/dbraw/zinc/35/52/15/599355215.db2.gz PJTPVIDUSWKGKX-UHFFFAOYSA-N -1 1 397.888 2.101 20 0 GEADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOC2(CCCCC2)C1 ZINC000823601007 599360889 /nfs/dbraw/zinc/36/08/89/599360889.db2.gz NZTXQJCHYSOJNV-UHFFFAOYSA-N -1 1 397.888 2.244 20 0 GEADMM O=C1CCCc2c(OS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)cccc21 ZINC000823530059 599366603 /nfs/dbraw/zinc/36/66/03/599366603.db2.gz BHJGLJGRVOOQTG-UHFFFAOYSA-N -1 1 388.380 2.293 20 0 GEADMM CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821449120 599374664 /nfs/dbraw/zinc/37/46/64/599374664.db2.gz QCJNHHFPPJPAGT-WDEREUQCSA-N -1 1 385.490 2.301 20 0 GEADMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1C ZINC000820637493 599492381 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CN1CCN(Cc2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cc2)CC1 ZINC000830955045 600908110 /nfs/dbraw/zinc/90/81/10/600908110.db2.gz YGUHAGDQRCAFEC-OAQYLSRUSA-N -1 1 393.487 2.086 20 0 GEADMM O=C([O-])CCN(Cc1ccccc1)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000833233768 600911832 /nfs/dbraw/zinc/91/18/32/600911832.db2.gz CQHQZJCICDQJFP-UHFFFAOYSA-N -1 1 396.491 2.097 20 0 GEADMM CCN(CC)[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000676214241 600930128 /nfs/dbraw/zinc/93/01/28/600930128.db2.gz QOBIOFWCNOCWSS-LSDHHAIUSA-N -1 1 388.386 2.400 20 0 GEADMM CN1CCN(CCOc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000515844016 600936291 /nfs/dbraw/zinc/93/62/91/600936291.db2.gz IZQUYAYXXQHEGJ-UHFFFAOYSA-N -1 1 383.448 2.263 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)c2cccc(CN3CCN(C)CC3)c2)C(=O)[O-])cc1 ZINC000832921850 600939717 /nfs/dbraw/zinc/93/97/17/600939717.db2.gz ALGHOTMBGOWVOE-OAQYLSRUSA-N -1 1 395.503 2.341 20 0 GEADMM CN1CCN(CCOc2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000830954879 600976997 /nfs/dbraw/zinc/97/69/97/600976997.db2.gz PMVWWLGDTQJDCT-SJORKVTESA-N -1 1 389.496 2.142 20 0 GEADMM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cn1 ZINC000833274587 600981741 /nfs/dbraw/zinc/98/17/41/600981741.db2.gz FYXBAPHZYDRRLT-UHFFFAOYSA-N -1 1 398.872 2.412 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c[nH]1 ZINC000833304202 600981996 /nfs/dbraw/zinc/98/19/96/600981996.db2.gz VHPYGCRTIVPZRV-UHFFFAOYSA-N -1 1 383.389 2.223 20 0 GEADMM CC[C@H](O)CN1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000829004206 601012715 /nfs/dbraw/zinc/01/27/15/601012715.db2.gz BZJZNKOAXGOTOC-KRWDZBQOSA-N -1 1 375.494 2.397 20 0 GEADMM COC(=O)c1c(NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)sc2c1CCCC2 ZINC000831230833 601033206 /nfs/dbraw/zinc/03/32/06/601033206.db2.gz OBDNXSZAYURKOA-GOSISDBHSA-N -1 1 380.466 2.195 20 0 GEADMM COC(=O)CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CCOCC1 ZINC000831154906 601048887 /nfs/dbraw/zinc/04/88/87/601048887.db2.gz CDIAIFHALXTMTH-UHFFFAOYSA-N -1 1 398.481 2.046 20 0 GEADMM O=C([O-])CCN(CC(=O)Nc1nc2ccc(F)cc2s1)C1CCOCC1 ZINC000833231985 601051636 /nfs/dbraw/zinc/05/16/36/601051636.db2.gz JQFFXAXDSVCIEL-UHFFFAOYSA-N -1 1 381.429 2.330 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000630225824 601086576 /nfs/dbraw/zinc/08/65/76/601086576.db2.gz XLSUURVTVCSEFE-CYBMUJFWSA-N -1 1 390.871 2.362 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000630224334 601087101 /nfs/dbraw/zinc/08/71/01/601087101.db2.gz NMMOKDHNBSDLMF-CYBMUJFWSA-N -1 1 384.436 2.235 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)CC1 ZINC000827357683 601093697 /nfs/dbraw/zinc/09/36/97/601093697.db2.gz ZRJJTKWMHLDBKV-SJKOYZFVSA-N -1 1 385.867 2.089 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000827369074 601094376 /nfs/dbraw/zinc/09/43/76/601094376.db2.gz NKAWSCCSJULJKG-LLVKDONJSA-N -1 1 399.278 2.191 20 0 GEADMM CCc1nc2ccc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc2nc1CC ZINC000830323166 601094763 /nfs/dbraw/zinc/09/47/63/601094763.db2.gz WMRPPPDFMFZAER-AWEZNQCLSA-N -1 1 384.480 2.376 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000827363259 601094839 /nfs/dbraw/zinc/09/48/39/601094839.db2.gz ZXBBRGSBHJOXTN-CYBMUJFWSA-N -1 1 399.285 2.225 20 0 GEADMM Cc1c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cnn1-c1ccccc1Cl ZINC000630222386 601100040 /nfs/dbraw/zinc/10/00/40/601100040.db2.gz DMNQIKOFURZPMT-ZDUSSCGKSA-N -1 1 390.871 2.455 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000630223200 601100555 /nfs/dbraw/zinc/10/05/55/601100555.db2.gz IOBCXOAZWKHVBI-OAHLLOKOSA-N -1 1 394.899 2.396 20 0 GEADMM Cc1c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cnn1-c1ccc(Cl)cc1 ZINC000630222490 601103898 /nfs/dbraw/zinc/10/38/98/601103898.db2.gz FQQPFVYRYZFTRK-ZDUSSCGKSA-N -1 1 390.871 2.455 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)CC1 ZINC000630224420 601103919 /nfs/dbraw/zinc/10/39/19/601103919.db2.gz OAVDHTZWBMUUCJ-MRXNPFEDSA-N -1 1 399.447 2.260 20 0 GEADMM COc1ccccc1Nc1ncccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832628987 601106582 /nfs/dbraw/zinc/10/65/82/601106582.db2.gz ZWXBRTDVXNFHDX-HNNXBMFYSA-N -1 1 398.463 2.455 20 0 GEADMM Cc1noc2ncc(NS(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)cc12 ZINC000738954975 601116968 /nfs/dbraw/zinc/11/69/68/601116968.db2.gz CQYQMNRISOXDNN-UHFFFAOYSA-N -1 1 377.378 2.186 20 0 GEADMM CN(Cc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1)C(=O)[O-] ZINC000830831422 601122460 /nfs/dbraw/zinc/12/24/60/601122460.db2.gz XOGOCVQCCNHWCR-UHFFFAOYSA-N -1 1 398.444 2.434 20 0 GEADMM CCN(CC)C(=O)c1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000829658720 601126599 /nfs/dbraw/zinc/12/65/99/601126599.db2.gz NULNDQMJMIYCNX-OAHLLOKOSA-N -1 1 390.484 2.181 20 0 GEADMM COC(=O)C(C)(C)c1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000831053160 601135368 /nfs/dbraw/zinc/13/53/68/601135368.db2.gz MPKGHOOWMSKFML-CQSZACIVSA-N -1 1 391.468 2.150 20 0 GEADMM Cc1ccc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000832944373 601146056 /nfs/dbraw/zinc/14/60/56/601146056.db2.gz DSRAPKXIVAMQND-SFHVURJKSA-N -1 1 383.448 2.234 20 0 GEADMM CN(C)[C@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)Cc1ccccc1 ZINC000830585090 601207111 /nfs/dbraw/zinc/20/71/11/601207111.db2.gz OAUZZIOHMPFICX-HGZMWJMZSA-N -1 1 388.489 2.236 20 0 GEADMM CN(C)CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737950367 601219089 /nfs/dbraw/zinc/21/90/89/601219089.db2.gz SIRMLODXDNRJIU-UHFFFAOYSA-N -1 1 394.468 2.319 20 0 GEADMM Cc1oc(S(=O)(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000833026193 601219190 /nfs/dbraw/zinc/21/91/90/601219190.db2.gz BVRMMFOWDKJIEJ-UHFFFAOYSA-N -1 1 384.429 2.178 20 0 GEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826870873 601232716 /nfs/dbraw/zinc/23/27/16/601232716.db2.gz DUYHMMJCAXYVBZ-UHFFFAOYSA-N -1 1 390.452 2.404 20 0 GEADMM C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc(C(C)(C)C)no1 ZINC000827760702 601239470 /nfs/dbraw/zinc/23/94/70/601239470.db2.gz PCSIEGPCHLGXPU-ZETCQYMHSA-N -1 1 389.380 2.383 20 0 GEADMM C[C@@](O)(c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C(F)(F)F ZINC000820467561 607498011 /nfs/dbraw/zinc/49/80/11/607498011.db2.gz JQPVGHQXBUNABG-OAHLLOKOSA-N -1 1 379.298 2.251 20 0 GEADMM C[C@@](O)(c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)C(F)(F)F ZINC000820467561 607498013 /nfs/dbraw/zinc/49/80/13/607498013.db2.gz JQPVGHQXBUNABG-OAHLLOKOSA-N -1 1 379.298 2.251 20 0 GEADMM C[C@@H](Sc1ccccc1C(=O)N1CCN(C2CCOCC2)CC1)C(=O)[O-] ZINC000827915022 601271877 /nfs/dbraw/zinc/27/18/77/601271877.db2.gz JYZUZLOELDYIQN-CQSZACIVSA-N -1 1 378.494 2.189 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000042792006 601322876 /nfs/dbraw/zinc/32/28/76/601322876.db2.gz IYGBMRGMLCQQBA-UHFFFAOYSA-N -1 1 394.405 2.161 20 0 GEADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1C ZINC000485099325 601329758 /nfs/dbraw/zinc/32/97/58/601329758.db2.gz KOQLYISZZBYVSX-UHFFFAOYSA-N -1 1 379.390 2.289 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000609658281 601330730 /nfs/dbraw/zinc/33/07/30/601330730.db2.gz DWKTUTYGSVHZDP-XMMPIXPASA-N -1 1 383.447 2.073 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000609658280 601330863 /nfs/dbraw/zinc/33/08/63/601330863.db2.gz DWKTUTYGSVHZDP-DEOSSOPVSA-N -1 1 383.447 2.073 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)nn1-c1ccccn1 ZINC000550404126 601358148 /nfs/dbraw/zinc/35/81/48/601358148.db2.gz ILMARGOWBZMGCR-UHFFFAOYSA-N -1 1 388.405 2.083 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)COC2(C)CCC2)c1-c1nn[n-]n1 ZINC000822486491 607506792 /nfs/dbraw/zinc/50/67/92/607506792.db2.gz LPSGOYPYJVTLNW-UHFFFAOYSA-N -1 1 382.424 2.363 20 0 GEADMM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000833099529 601440439 /nfs/dbraw/zinc/44/04/39/601440439.db2.gz DELYTGTUUHGMSG-AWEZNQCLSA-N -1 1 377.185 2.415 20 0 GEADMM CCN1C(=O)[C@H]2CN(Cc3c(C(=O)[O-])sc4cccc(F)c43)CCN2C1=O ZINC000829745880 601465459 /nfs/dbraw/zinc/46/54/59/601465459.db2.gz UKUPEVFCZJSMCH-GFCCVEGCSA-N -1 1 391.424 2.207 20 0 GEADMM COC[C@@](C)(CC(=O)[O-])NCc1cc(OC)c(OC)cc1Br ZINC000831579092 601486887 /nfs/dbraw/zinc/48/68/87/601486887.db2.gz VAFSKTLNPBWRAE-OAHLLOKOSA-N -1 1 376.247 2.436 20 0 GEADMM C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263366111 601502619 /nfs/dbraw/zinc/50/26/19/601502619.db2.gz TXQMCIPIONSVGS-JFGNBEQYSA-N -1 1 399.369 2.032 20 0 GEADMM C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828413674 601502700 /nfs/dbraw/zinc/50/27/00/601502700.db2.gz TXQMCIPIONSVGS-SCVCMEIPSA-N -1 1 399.369 2.032 20 0 GEADMM COc1cccc([C@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)N2CCCC2)c1 ZINC000832533354 601505477 /nfs/dbraw/zinc/50/54/77/601505477.db2.gz LXSGCTSCXPGFMD-KRWDZBQOSA-N -1 1 396.509 2.006 20 0 GEADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829873041 601525893 /nfs/dbraw/zinc/52/58/93/601525893.db2.gz JFMDYBNQTMKWLM-COPLHBTASA-N -1 1 382.482 2.467 20 0 GEADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000567409145 601541293 /nfs/dbraw/zinc/54/12/93/601541293.db2.gz RTSPABPZRKRWFG-ZBFHGGJFSA-N -1 1 391.493 2.364 20 0 GEADMM C[C@@H]1CN(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C[C@@H]1C(=O)[O-] ZINC000828353692 601542113 /nfs/dbraw/zinc/54/21/13/601542113.db2.gz AHQUHAWLNKVJJG-CVEARBPZSA-N -1 1 381.517 2.162 20 0 GEADMM Cc1ccc2cccc(S(=O)(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)c2n1 ZINC000531486813 601557553 /nfs/dbraw/zinc/55/75/53/601557553.db2.gz ZIPNLBHNYKODKM-UHFFFAOYSA-N -1 1 399.428 2.158 20 0 GEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000826045234 601609036 /nfs/dbraw/zinc/60/90/36/601609036.db2.gz QVLRNFQIOFMHLE-KXBFYZLASA-N -1 1 382.464 2.025 20 0 GEADMM COc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)N2CCCC2)cc1 ZINC000832240758 601637317 /nfs/dbraw/zinc/63/73/17/601637317.db2.gz HIYKKXGOSCLQQW-QGTPRVQTSA-N -1 1 375.469 2.194 20 0 GEADMM COC(=O)[C@H](C)[C@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000831059402 601656913 /nfs/dbraw/zinc/65/69/13/601656913.db2.gz HCISCROUXSUJGK-PBHICJAKSA-N -1 1 376.453 2.030 20 0 GEADMM C[C@H](c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000827934076 601768961 /nfs/dbraw/zinc/76/89/61/601768961.db2.gz CKKZKUUQTCLASI-LLVKDONJSA-N -1 1 397.478 2.035 20 0 GEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000439579098 601785234 /nfs/dbraw/zinc/78/52/34/601785234.db2.gz YSHWOQBFSDJTCZ-UHFFFAOYSA-N -1 1 396.396 2.035 20 0 GEADMM CCCc1nc([C@H]2CN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000829570909 601794257 /nfs/dbraw/zinc/79/42/57/601794257.db2.gz LGAWRTGABRNZNI-CQSZACIVSA-N -1 1 388.428 2.130 20 0 GEADMM CCCc1n[nH]c([C@H]2CN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CCO2)n1 ZINC000829570909 601794258 /nfs/dbraw/zinc/79/42/58/601794258.db2.gz LGAWRTGABRNZNI-CQSZACIVSA-N -1 1 388.428 2.130 20 0 GEADMM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448816 601813561 /nfs/dbraw/zinc/81/35/61/601813561.db2.gz GYFKIHFXDPPIDC-ZQWRNJAYSA-N -1 1 387.480 2.361 20 0 GEADMM C[C@H]1CN(CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828448803 601815054 /nfs/dbraw/zinc/81/50/54/601815054.db2.gz GXYMXFLDFNVVBP-GGXMVYKUSA-N -1 1 385.464 2.245 20 0 GEADMM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)C1=O ZINC000829069358 601819373 /nfs/dbraw/zinc/81/93/73/601819373.db2.gz HKOGNKDRQQMCJH-KQYVJACZSA-N -1 1 379.844 2.107 20 0 GEADMM O=C([O-])CCC1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000659398184 601827371 /nfs/dbraw/zinc/82/73/71/601827371.db2.gz SEEXTXNQRAQPKE-UHFFFAOYSA-N -1 1 375.404 2.397 20 0 GEADMM O=C([O-])CCC1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000659398184 601827372 /nfs/dbraw/zinc/82/73/72/601827372.db2.gz SEEXTXNQRAQPKE-UHFFFAOYSA-N -1 1 375.404 2.397 20 0 GEADMM NC(=O)CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833081863 601829498 /nfs/dbraw/zinc/82/94/98/601829498.db2.gz JYYLLYMWUBVRPJ-UHFFFAOYSA-N -1 1 398.824 2.093 20 0 GEADMM COCCOc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000831783415 601836985 /nfs/dbraw/zinc/83/69/85/601836985.db2.gz KZVXWKXUBRKYFS-UHFFFAOYSA-N -1 1 386.813 2.259 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc(F)c1F ZINC000755967879 601840911 /nfs/dbraw/zinc/84/09/11/601840911.db2.gz TWQIZEFPCVRHTG-UHFFFAOYSA-N -1 1 389.307 2.390 20 0 GEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(Cl)cc1F ZINC000071091533 601841751 /nfs/dbraw/zinc/84/17/51/601841751.db2.gz GFSXTAHDTKPKAQ-UHFFFAOYSA-N -1 1 384.772 2.473 20 0 GEADMM CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccco1 ZINC000829666768 601853602 /nfs/dbraw/zinc/85/36/02/601853602.db2.gz RGNLNVFVYHWGES-HNNXBMFYSA-N -1 1 391.399 2.255 20 0 GEADMM COc1ccc(CN(C(=O)CN2CCSC[C@@H]2CC(=O)[O-])C2CC2)cc1 ZINC000832304362 601894649 /nfs/dbraw/zinc/89/46/49/601894649.db2.gz KGRANRTVYZFTTN-INIZCTEOSA-N -1 1 378.494 2.078 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000740370445 601924264 /nfs/dbraw/zinc/92/42/64/601924264.db2.gz WVUQECSKWQDZCF-VSZNYVQBSA-N -1 1 379.501 2.153 20 0 GEADMM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000740370445 601924266 /nfs/dbraw/zinc/92/42/66/601924266.db2.gz WVUQECSKWQDZCF-VSZNYVQBSA-N -1 1 379.501 2.153 20 0 GEADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828168707 601968892 /nfs/dbraw/zinc/96/88/92/601968892.db2.gz QBEVRYUGXHOXPY-KBXCAEBGSA-N -1 1 396.447 2.494 20 0 GEADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000828167558 601968924 /nfs/dbraw/zinc/96/89/24/601968924.db2.gz IMAJMOIGYAREHD-BEFAXECRSA-N -1 1 395.459 2.031 20 0 GEADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CN1Cc1ccccc1 ZINC000828168819 601969343 /nfs/dbraw/zinc/96/93/43/601969343.db2.gz QZMUWKQONWXVEK-CZUORRHYSA-N -1 1 399.422 2.242 20 0 GEADMM Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000477479216 601988918 /nfs/dbraw/zinc/98/89/18/601988918.db2.gz UFTDQIUDVKDMCU-UHFFFAOYSA-N -1 1 386.433 2.312 20 0 GEADMM C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827460927 602003949 /nfs/dbraw/zinc/00/39/49/602003949.db2.gz HANANKMUWZYLIY-LLVKDONJSA-N -1 1 388.390 2.161 20 0 GEADMM COCC(=O)NC1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000831541491 602034851 /nfs/dbraw/zinc/03/48/51/602034851.db2.gz XRVJUKQJANMPCU-HNNXBMFYSA-N -1 1 375.252 2.346 20 0 GEADMM CCCc1ccc([C@]2(C)NC(=O)N(Cc3ccnc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000825348081 607541640 /nfs/dbraw/zinc/54/16/40/607541640.db2.gz BXTDBYVJFYVXFH-FQEVSTJZSA-N -1 1 391.435 2.181 20 0 GEADMM CCCc1ccc([C@]2(C)NC(=O)N(Cc3ccnc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000825348081 607541641 /nfs/dbraw/zinc/54/16/41/607541641.db2.gz BXTDBYVJFYVXFH-FQEVSTJZSA-N -1 1 391.435 2.181 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)N2CCCC2)c1 ZINC000739944769 602062833 /nfs/dbraw/zinc/06/28/33/602062833.db2.gz GXPFSEYZGLRBIH-YJBOKZPZSA-N -1 1 390.484 2.131 20 0 GEADMM C[C@H](CNC(=O)OC(C)(C)C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824421434 607542357 /nfs/dbraw/zinc/54/23/57/607542357.db2.gz UAXSQOVAFLVMQU-NSHDSACASA-N -1 1 384.444 2.383 20 0 GEADMM C[C@H](CNC(=O)OC(C)(C)C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824421434 607542358 /nfs/dbraw/zinc/54/23/58/607542358.db2.gz UAXSQOVAFLVMQU-NSHDSACASA-N -1 1 384.444 2.383 20 0 GEADMM C[C@@H](CNC(=O)OC(C)(C)C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824421433 607542498 /nfs/dbraw/zinc/54/24/98/607542498.db2.gz UAXSQOVAFLVMQU-LLVKDONJSA-N -1 1 384.444 2.383 20 0 GEADMM C[C@@H](CNC(=O)OC(C)(C)C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824421433 607542501 /nfs/dbraw/zinc/54/25/01/607542501.db2.gz UAXSQOVAFLVMQU-LLVKDONJSA-N -1 1 384.444 2.383 20 0 GEADMM O=C([O-])NC1(CNC(=O)NC2CCN(Cc3ccccn3)CC2)CCCCC1 ZINC000740545292 602080751 /nfs/dbraw/zinc/08/07/51/602080751.db2.gz LAQMFZWXFPJZKE-UHFFFAOYSA-N -1 1 389.500 2.316 20 0 GEADMM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)C1 ZINC000739060792 602090212 /nfs/dbraw/zinc/09/02/12/602090212.db2.gz VXJAOEFUBVXWLL-BBRMVZONSA-N -1 1 397.435 2.062 20 0 GEADMM C[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738973926 602103226 /nfs/dbraw/zinc/10/32/26/602103226.db2.gz GCLWHAIDBXGMMW-DOTOQJQBSA-N -1 1 389.500 2.124 20 0 GEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000739640588 602105600 /nfs/dbraw/zinc/10/56/00/602105600.db2.gz HBPWLIAPEMPYCL-YOEHRIQHSA-N -1 1 380.464 2.460 20 0 GEADMM CN1CCc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2C1=O ZINC000489587218 602119090 /nfs/dbraw/zinc/11/90/90/602119090.db2.gz SQTUXVOXVDOMLM-UHFFFAOYSA-N -1 1 394.836 2.467 20 0 GEADMM Cc1cc(C(=O)N2CCSCC2)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826258161 607550633 /nfs/dbraw/zinc/55/06/33/607550633.db2.gz CCDDCFYKKDDGMR-UHFFFAOYSA-N -1 1 395.492 2.371 20 0 GEADMM Cc1cc(C(=O)N2CCSCC2)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826258161 607550635 /nfs/dbraw/zinc/55/06/35/607550635.db2.gz CCDDCFYKKDDGMR-UHFFFAOYSA-N -1 1 395.492 2.371 20 0 GEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCc2cccc(OC(C)(C)C)n2)CC1 ZINC000827362675 602180139 /nfs/dbraw/zinc/18/01/39/602180139.db2.gz RYIPZAOCUKBGBW-OAHLLOKOSA-N -1 1 377.485 2.199 20 0 GEADMM C[C@@H](CS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000827531998 602210546 /nfs/dbraw/zinc/21/05/46/602210546.db2.gz DPCNJPUVEXGTOJ-AWEZNQCLSA-N -1 1 388.917 2.288 20 0 GEADMM Cc1n[nH]c([C@@H]2CCCN(CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)n1 ZINC000832996962 602234624 /nfs/dbraw/zinc/23/46/24/602234624.db2.gz KSZUMVOQVLMBGB-GFCCVEGCSA-N -1 1 377.470 2.308 20 0 GEADMM Cc1nnc([C@@H]2CCCN(CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)[nH]1 ZINC000832996962 602234626 /nfs/dbraw/zinc/23/46/26/602234626.db2.gz KSZUMVOQVLMBGB-GFCCVEGCSA-N -1 1 377.470 2.308 20 0 GEADMM COc1cc(C(=O)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)ccc1C ZINC000739850402 602257973 /nfs/dbraw/zinc/25/79/73/602257973.db2.gz KTNMRVZKQYSEOA-UHFFFAOYSA-N -1 1 375.469 2.151 20 0 GEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000736417052 602312508 /nfs/dbraw/zinc/31/25/08/602312508.db2.gz SACAPSMCYZOCBM-OAHLLOKOSA-N -1 1 375.429 2.020 20 0 GEADMM C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738624474 602383594 /nfs/dbraw/zinc/38/35/94/602383594.db2.gz LFINOISAEUKGEG-WMLDXEAASA-N -1 1 375.469 2.337 20 0 GEADMM C[C@H]1CN(Cc2ccc(CNC(=O)C3(NC(=O)[O-])CCCC3)cc2)C[C@H](C)O1 ZINC000739185953 602389761 /nfs/dbraw/zinc/38/97/61/602389761.db2.gz RLUUZWBYSUIRPO-HOTGVXAUSA-N -1 1 389.496 2.492 20 0 GEADMM CCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000739318643 602390149 /nfs/dbraw/zinc/39/01/49/602390149.db2.gz XDKXUAZZYYENCF-RKVPGOIHSA-N -1 1 377.485 2.348 20 0 GEADMM Cc1cccc(N2CCN(CCCNC(=O)C3(NC(=O)[O-])CCCC3)CC2)c1 ZINC000740167966 602390725 /nfs/dbraw/zinc/39/07/25/602390725.db2.gz DHJPVQJWLWZXFD-UHFFFAOYSA-N -1 1 388.512 2.204 20 0 GEADMM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738950276 602398782 /nfs/dbraw/zinc/39/87/82/602398782.db2.gz MERUFWNKXIKHBF-KGLIPLIRSA-N -1 1 383.439 2.334 20 0 GEADMM CN(C[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1)C(=O)[O-] ZINC000739637462 602399977 /nfs/dbraw/zinc/39/99/77/602399977.db2.gz PZZJHBNKQXOWMR-HNNXBMFYSA-N -1 1 384.480 2.374 20 0 GEADMM O=C([O-])c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1F ZINC000833132577 602402370 /nfs/dbraw/zinc/40/23/70/602402370.db2.gz DMNSXEGUQKQZOB-SFHVURJKSA-N -1 1 399.422 2.416 20 0 GEADMM CN(CC1CCN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CC1)C(=O)[O-] ZINC000739656536 602407702 /nfs/dbraw/zinc/40/77/02/602407702.db2.gz MKEDKOOPYFFTNE-UHFFFAOYSA-N -1 1 376.438 2.086 20 0 GEADMM Cn1c(=O)c2ccc(-c3nc(C4(NC(=O)[O-])CCCC4)no3)cc2[nH]c1=S ZINC000740281404 602414363 /nfs/dbraw/zinc/41/43/63/602414363.db2.gz HLJCAVLFXZSJKE-UHFFFAOYSA-N -1 1 387.421 2.309 20 0 GEADMM O=C([O-])N1CC[C@H](CCNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000740427198 602499475 /nfs/dbraw/zinc/49/94/75/602499475.db2.gz JPDUUSZFFICKHP-VIFPVBQESA-N -1 1 381.230 2.445 20 0 GEADMM O=S(=O)(NCc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826492212 607572217 /nfs/dbraw/zinc/57/22/17/607572217.db2.gz YCVVVFBFOPOXLT-UHFFFAOYSA-N -1 1 383.355 2.364 20 0 GEADMM O=C([O-])Nc1cc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)ccc1F ZINC000740696030 602549788 /nfs/dbraw/zinc/54/97/88/602549788.db2.gz XLJQGEVRKPWVDU-UHFFFAOYSA-N -1 1 393.352 2.095 20 0 GEADMM COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826191186 607573331 /nfs/dbraw/zinc/57/33/31/607573331.db2.gz ZNDOTEBAKHDOKR-UHFFFAOYSA-N -1 1 394.796 2.109 20 0 GEADMM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000739229835 602567527 /nfs/dbraw/zinc/56/75/27/602567527.db2.gz FMQGSLNHEAJNPI-ABAIWWIYSA-N -1 1 375.429 2.020 20 0 GEADMM COc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826218747 607577411 /nfs/dbraw/zinc/57/74/11/607577411.db2.gz KCKVBAXFCIRYHW-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826218747 607577413 /nfs/dbraw/zinc/57/74/13/607577413.db2.gz KCKVBAXFCIRYHW-SNVBAGLBSA-N -1 1 377.401 2.054 20 0 GEADMM COc1ccccc1[C@@H](CNC(=O)c1nnc2ccccc2c1O)NC(=O)[O-] ZINC000739964499 602588343 /nfs/dbraw/zinc/58/83/43/602588343.db2.gz ROTHMCPKTHZJGF-CQSZACIVSA-N -1 1 382.376 2.083 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739453901 602594333 /nfs/dbraw/zinc/59/43/33/602594333.db2.gz AHDHHZJEIRJTCA-HNNXBMFYSA-N -1 1 375.473 2.092 20 0 GEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)N2CCCC2)o1 ZINC000740117285 602629979 /nfs/dbraw/zinc/62/99/79/602629979.db2.gz JQOAJJRQTLKTAB-HOTGVXAUSA-N -1 1 378.473 2.366 20 0 GEADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000738924595 602631031 /nfs/dbraw/zinc/63/10/31/602631031.db2.gz FZMMBYAATCWLSH-OAHLLOKOSA-N -1 1 384.521 2.098 20 0 GEADMM O=C([O-])N1CCC[C@@H](CCNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)C1 ZINC000740426096 602653326 /nfs/dbraw/zinc/65/33/26/602653326.db2.gz WNNVLEZMPWHREH-JTQLQIEISA-N -1 1 376.438 2.134 20 0 GEADMM O=S(=O)(NCCc1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491695 607579454 /nfs/dbraw/zinc/57/94/54/607579454.db2.gz WNOKOJYNZVIRJN-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=S(=O)(NCCc1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491695 607579456 /nfs/dbraw/zinc/57/94/56/607579456.db2.gz WNOKOJYNZVIRJN-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=C([O-])NCCc1ccc(CNC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000740672622 602665753 /nfs/dbraw/zinc/66/57/53/602665753.db2.gz MHOLDPFYYXVDCH-UHFFFAOYSA-N -1 1 394.435 2.281 20 0 GEADMM O=C([O-])NCCc1ccc(CNC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000740672622 602665755 /nfs/dbraw/zinc/66/57/55/602665755.db2.gz MHOLDPFYYXVDCH-UHFFFAOYSA-N -1 1 394.435 2.281 20 0 GEADMM O=S(=O)(NCCc1cccc(Cl)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491750 607579970 /nfs/dbraw/zinc/57/99/70/607579970.db2.gz YZADNAGDFJENES-UHFFFAOYSA-N -1 1 381.820 2.180 20 0 GEADMM O=C([O-])NCc1nc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cs1 ZINC000740683786 602708355 /nfs/dbraw/zinc/70/83/55/602708355.db2.gz KGIRIEJPBAHKDV-UHFFFAOYSA-N -1 1 392.456 2.444 20 0 GEADMM CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824324156 607583517 /nfs/dbraw/zinc/58/35/17/607583517.db2.gz INCGPTBBDZSFHI-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM CC(C)Oc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824324380 607583547 /nfs/dbraw/zinc/58/35/47/607583547.db2.gz NBKUGMJCBFZSRY-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM CC(C)Oc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824324380 607583548 /nfs/dbraw/zinc/58/35/48/607583548.db2.gz NBKUGMJCBFZSRY-UHFFFAOYSA-N -1 1 391.428 2.272 20 0 GEADMM COCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826164993 607583994 /nfs/dbraw/zinc/58/39/94/607583994.db2.gz ANDNNXOBWRBWCK-UHFFFAOYSA-N -1 1 393.856 2.145 20 0 GEADMM O=S(=O)(NCCOc1ccc(F)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491624 607584430 /nfs/dbraw/zinc/58/44/30/607584430.db2.gz SDFKXHUKUWGHDF-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM C[C@@H]1CN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739178334 602762074 /nfs/dbraw/zinc/76/20/74/602762074.db2.gz YRILJCKQFZVAIF-APWZRJJASA-N -1 1 389.496 2.172 20 0 GEADMM O=S(=O)(NCCOc1ccc(F)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491624 607584432 /nfs/dbraw/zinc/58/44/32/607584432.db2.gz SDFKXHUKUWGHDF-UHFFFAOYSA-N -1 1 397.819 2.017 20 0 GEADMM CCN(CCNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2)C(=O)[O-] ZINC000739418740 602769729 /nfs/dbraw/zinc/76/97/29/602769729.db2.gz COWGGFKLCBUGES-AWEZNQCLSA-N -1 1 390.484 2.101 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1F ZINC000739903191 602776232 /nfs/dbraw/zinc/77/62/32/602776232.db2.gz JOZIJHQWLFWSSM-XEZPLFJOSA-N -1 1 381.448 2.159 20 0 GEADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@@H](C)NC(=O)[O-])CC1 ZINC000827228630 602783655 /nfs/dbraw/zinc/78/36/55/602783655.db2.gz QIRKWHGJDZHKDN-KGLIPLIRSA-N -1 1 380.464 2.191 20 0 GEADMM COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739901101 602786089 /nfs/dbraw/zinc/78/60/89/602786089.db2.gz BGLRVEPTWDFYOK-DZKIICNBSA-N -1 1 393.484 2.029 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1OC ZINC000825148794 607587038 /nfs/dbraw/zinc/58/70/38/607587038.db2.gz ULUPNJCZUWYCNB-CYBMUJFWSA-N -1 1 391.428 2.444 20 0 GEADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1OC ZINC000825148794 607587039 /nfs/dbraw/zinc/58/70/39/607587039.db2.gz ULUPNJCZUWYCNB-CYBMUJFWSA-N -1 1 391.428 2.444 20 0 GEADMM CS(=O)(=O)c1cccc(OCCN(C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000739998124 602866636 /nfs/dbraw/zinc/86/66/36/602866636.db2.gz KZTFMWPQYRAIPC-UHFFFAOYSA-N -1 1 382.482 2.076 20 0 GEADMM COCCN1CCC[C@@H](NC(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C1 ZINC000828992849 602872640 /nfs/dbraw/zinc/87/26/40/602872640.db2.gz SBSLBZOHZJJXTK-LLVKDONJSA-N -1 1 385.848 2.279 20 0 GEADMM Cc1ccc([C@@H](CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])N2CCCC2)o1 ZINC000740119857 602880816 /nfs/dbraw/zinc/88/08/16/602880816.db2.gz ZOHAOTBWVDAECJ-HZPDHXFCSA-N -1 1 379.457 2.000 20 0 GEADMM COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826209087 607592225 /nfs/dbraw/zinc/59/22/25/607592225.db2.gz MBZKGPCBSLYHOM-VIFPVBQESA-N -1 1 395.391 2.193 20 0 GEADMM CC(C)[C@H](CNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824110289 602923414 /nfs/dbraw/zinc/92/34/14/602923414.db2.gz HHNMCRIFUGEZBA-NEWSRXKRSA-N -1 1 390.528 2.020 20 0 GEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739131929 602930337 /nfs/dbraw/zinc/93/03/37/602930337.db2.gz DRRRLAMEWAEQQO-OWCLPIDISA-N -1 1 378.473 2.494 20 0 GEADMM CC[C@@H]1CN(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)CCN1CCOC ZINC000826675379 602957654 /nfs/dbraw/zinc/95/76/54/602957654.db2.gz JQSARNXQVQKBCB-JQHSSLGASA-N -1 1 377.485 2.201 20 0 GEADMM C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823676487 602965674 /nfs/dbraw/zinc/96/56/74/602965674.db2.gz CUCXWZBZKSOWOC-APWZRJJASA-N -1 1 389.496 2.202 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488009 607599262 /nfs/dbraw/zinc/59/92/62/607599262.db2.gz GOEGPFFRYRFMHA-WCQYABFASA-N -1 1 393.831 2.494 20 0 GEADMM O=S(=O)(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488009 607599264 /nfs/dbraw/zinc/59/92/64/607599264.db2.gz GOEGPFFRYRFMHA-WCQYABFASA-N -1 1 393.831 2.494 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CCN1CCOC ZINC000739280124 602997405 /nfs/dbraw/zinc/99/74/05/602997405.db2.gz QGFIWBSLXKFYGX-INIZCTEOSA-N -1 1 376.457 2.302 20 0 GEADMM CC[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CCN1CCOC ZINC000739280348 602998621 /nfs/dbraw/zinc/99/86/21/602998621.db2.gz SECHAWFSFLPEGM-SFHVURJKSA-N -1 1 390.484 2.297 20 0 GEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000739200116 603001276 /nfs/dbraw/zinc/00/12/76/603001276.db2.gz SXHQODSEDBLIDC-WMZOPIPTSA-N -1 1 389.500 2.220 20 0 GEADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])N1CCCC1 ZINC000739957761 603011775 /nfs/dbraw/zinc/01/17/75/603011775.db2.gz JLYYITGKACBURV-OIISXLGYSA-N -1 1 375.469 2.385 20 0 GEADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826189407 607601136 /nfs/dbraw/zinc/60/11/36/607601136.db2.gz VAZFYCQGVWBXRY-JTQLQIEISA-N -1 1 377.401 2.054 20 0 GEADMM O=S(=O)(N[C@H]1CCCOc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487888 607603456 /nfs/dbraw/zinc/60/34/56/607603456.db2.gz CMWJNRZXMUBWLS-AWEZNQCLSA-N -1 1 389.412 2.198 20 0 GEADMM COc1ccccc1CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000739969950 603059292 /nfs/dbraw/zinc/05/92/92/603059292.db2.gz NIEFVJJCDGCHIO-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM COc1ccccc1CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000739969950 603059295 /nfs/dbraw/zinc/05/92/95/603059295.db2.gz NIEFVJJCDGCHIO-UHFFFAOYSA-N -1 1 381.392 2.429 20 0 GEADMM CC(C)(C)c1nc([C@H]2CN(C(=O)c3ccc(CNC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000823863737 603077222 /nfs/dbraw/zinc/07/72/22/603077222.db2.gz BKBWSJIMRJWXRE-CQSZACIVSA-N -1 1 387.440 2.084 20 0 GEADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3ccc(CNC(=O)[O-])cc3)CCO2)[nH]1 ZINC000823863737 603077227 /nfs/dbraw/zinc/07/72/27/603077227.db2.gz BKBWSJIMRJWXRE-CQSZACIVSA-N -1 1 387.440 2.084 20 0 GEADMM CC(=O)c1ccc(F)cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824025024 607605899 /nfs/dbraw/zinc/60/58/99/607605899.db2.gz SURQXQPNUVPLLM-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CC(=O)c1ccc(F)cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824025024 607605901 /nfs/dbraw/zinc/60/59/01/607605901.db2.gz SURQXQPNUVPLLM-UHFFFAOYSA-N -1 1 380.332 2.115 20 0 GEADMM CN1CCN(Cc2cccc(C(=O)NCC3(NC(=O)[O-])CCCCC3)c2)CC1 ZINC000739737202 603090861 /nfs/dbraw/zinc/09/08/61/603090861.db2.gz VBQIECGIFIIWQB-UHFFFAOYSA-N -1 1 388.512 2.134 20 0 GEADMM COCCN(CC(=O)Nc1cccc(CN2CCSCC2)c1C)C(=O)[O-] ZINC000739823680 603096490 /nfs/dbraw/zinc/09/64/90/603096490.db2.gz VYBUWODKTCXRSD-UHFFFAOYSA-N -1 1 381.498 2.109 20 0 GEADMM CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825125325 607606649 /nfs/dbraw/zinc/60/66/49/607606649.db2.gz CBGMSOYCTSMGSL-AWEZNQCLSA-N -1 1 375.429 2.305 20 0 GEADMM O=C([O-])NC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)Cc2ccccc2C1 ZINC000740536538 603106123 /nfs/dbraw/zinc/10/61/23/603106123.db2.gz NLFZRLYEWAXNRK-LJQANCHMSA-N -1 1 379.460 2.182 20 0 GEADMM C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824937605 607609889 /nfs/dbraw/zinc/60/98/89/607609889.db2.gz PZSXWPVGGLMONY-LDYMZIIASA-N -1 1 375.376 2.352 20 0 GEADMM CC(C)(C)c1csc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824135963 607610065 /nfs/dbraw/zinc/61/00/65/607610065.db2.gz LARHGTWABOKGIS-UHFFFAOYSA-N -1 1 396.473 2.238 20 0 GEADMM CC(C)(C)c1csc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824135963 607610066 /nfs/dbraw/zinc/61/00/66/607610066.db2.gz LARHGTWABOKGIS-UHFFFAOYSA-N -1 1 396.473 2.238 20 0 GEADMM COc1ccc([C@H](CNC(=O)[C@@H]2CCCCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739893773 603182948 /nfs/dbraw/zinc/18/29/48/603182948.db2.gz LWCSYSPXVAZZDH-ROUUACIJSA-N -1 1 375.469 2.481 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000826467041 607612546 /nfs/dbraw/zinc/61/25/46/607612546.db2.gz DTIUGYXLLUNFCU-KRWDZBQOSA-N -1 1 382.399 2.109 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000826467041 607612547 /nfs/dbraw/zinc/61/25/47/607612547.db2.gz DTIUGYXLLUNFCU-KRWDZBQOSA-N -1 1 382.399 2.109 20 0 GEADMM CC1=C(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCC1 ZINC000824852846 607614688 /nfs/dbraw/zinc/61/46/88/607614688.db2.gz SGOOAFJAKTUMJP-UHFFFAOYSA-N -1 1 393.407 2.035 20 0 GEADMM CC1=C(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCC1 ZINC000824852846 607614690 /nfs/dbraw/zinc/61/46/90/607614690.db2.gz SGOOAFJAKTUMJP-UHFFFAOYSA-N -1 1 393.407 2.035 20 0 GEADMM CN(CCCNC(=O)[O-])[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000739675993 603256148 /nfs/dbraw/zinc/25/61/48/603256148.db2.gz IGFDJATWWACBPR-CYBMUJFWSA-N -1 1 375.347 2.280 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000827227526 603259881 /nfs/dbraw/zinc/25/98/81/603259881.db2.gz DUNISMJXHLMPJX-HNNXBMFYSA-N -1 1 375.473 2.092 20 0 GEADMM CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])CC1 ZINC000827226918 603259907 /nfs/dbraw/zinc/25/99/07/603259907.db2.gz BGQJWGZEAVYIDC-INIZCTEOSA-N -1 1 389.500 2.435 20 0 GEADMM C[C@@H]1CN(CCCNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000739182094 603269804 /nfs/dbraw/zinc/26/98/04/603269804.db2.gz MEBPWUOJPKIKGJ-XJKCOSOUSA-N -1 1 383.876 2.264 20 0 GEADMM O=S(=O)(NCC1Cc2ccccc2C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491124 607618892 /nfs/dbraw/zinc/61/88/92/607618892.db2.gz UNEWPJZZVGOLGO-UHFFFAOYSA-N -1 1 389.868 2.213 20 0 GEADMM O=S(=O)(NCC1Cc2ccccc2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491124 607618893 /nfs/dbraw/zinc/61/88/93/607618893.db2.gz UNEWPJZZVGOLGO-UHFFFAOYSA-N -1 1 389.868 2.213 20 0 GEADMM COc1ccc(CN2CCCN(C(=O)CN(CC3CC3)C(=O)[O-])CC2)cc1 ZINC000829363171 603284765 /nfs/dbraw/zinc/28/47/65/603284765.db2.gz SIPYJGCZHYQKAN-UHFFFAOYSA-N -1 1 375.469 2.120 20 0 GEADMM CN(c1ccc2ccccc2n1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826004494 607619573 /nfs/dbraw/zinc/61/95/73/607619573.db2.gz ZYKKKVXSIGQGNS-UHFFFAOYSA-N -1 1 384.396 2.379 20 0 GEADMM CN(c1ccc2ccccc2n1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826004494 607619575 /nfs/dbraw/zinc/61/95/75/607619575.db2.gz ZYKKKVXSIGQGNS-UHFFFAOYSA-N -1 1 384.396 2.379 20 0 GEADMM CSCC[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826228210 607620321 /nfs/dbraw/zinc/62/03/21/607620321.db2.gz IKZASYBBJCMJFC-QMMMGPOBSA-N -1 1 395.432 2.305 20 0 GEADMM C[C@H](CC(N)=O)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444078992 649935324 /nfs/dbraw/zinc/93/53/24/649935324.db2.gz AROFJXSQCLKLAS-RXMQYKEDSA-N -1 1 390.086 2.298 20 0 GEADMM Cn1nc(C(C)(C)C)cc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740301363 603333847 /nfs/dbraw/zinc/33/38/47/603333847.db2.gz ISWVBDJOJPBPRW-UHFFFAOYSA-N -1 1 377.489 2.263 20 0 GEADMM CN(Cc1cccc(O)c1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825981504 607624523 /nfs/dbraw/zinc/62/45/23/607624523.db2.gz TWLYMKOIKSDIKN-UHFFFAOYSA-N -1 1 379.829 2.046 20 0 GEADMM CN(Cc1cccc(O)c1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825981504 607624525 /nfs/dbraw/zinc/62/45/25/607624525.db2.gz TWLYMKOIKSDIKN-UHFFFAOYSA-N -1 1 379.829 2.046 20 0 GEADMM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000825427107 603374085 /nfs/dbraw/zinc/37/40/85/603374085.db2.gz OXLCXBSPLKDBGT-XKQJLSEDSA-N -1 1 376.457 2.078 20 0 GEADMM CN(Cc1ccc(O)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825966074 607625932 /nfs/dbraw/zinc/62/59/32/607625932.db2.gz MVHDGZVMUQWWDJ-UHFFFAOYSA-N -1 1 379.829 2.046 20 0 GEADMM CN(Cc1ccc(O)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825966074 607625934 /nfs/dbraw/zinc/62/59/34/607625934.db2.gz MVHDGZVMUQWWDJ-UHFFFAOYSA-N -1 1 379.829 2.046 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)cs1 ZINC000828761441 603396957 /nfs/dbraw/zinc/39/69/57/603396957.db2.gz USUINRKTIWOJGH-UHFFFAOYSA-N -1 1 386.407 2.434 20 0 GEADMM Cc1cccc(N2CCN(C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[O-])CC2)c1 ZINC000830512270 603399809 /nfs/dbraw/zinc/39/98/09/603399809.db2.gz WSMVCJQIFRQQBI-SFTDATJTSA-N -1 1 383.492 2.357 20 0 GEADMM CCN(Cc1ccccc1NC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1)C(=O)[O-] ZINC000827187150 603455522 /nfs/dbraw/zinc/45/55/22/603455522.db2.gz RGEBRJXXTFXTDQ-HNNXBMFYSA-N -1 1 388.428 2.218 20 0 GEADMM O=C([O-])N1CC(OCC(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000831537878 603475470 /nfs/dbraw/zinc/47/54/70/603475470.db2.gz PMWZPQDXLCEKPM-UHFFFAOYSA-N -1 1 379.594 2.125 20 0 GEADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000832323783 603528288 /nfs/dbraw/zinc/52/82/88/603528288.db2.gz GICIDURSQAHBDF-IAGOWNOFSA-N -1 1 381.517 2.212 20 0 GEADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000825501973 603538168 /nfs/dbraw/zinc/53/81/68/603538168.db2.gz GFRDOLDHDCIKTH-LBPRGKRZSA-N -1 1 378.454 2.273 20 0 GEADMM C[C@@H]1CCC[C@H](N(C)CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889043 603593565 /nfs/dbraw/zinc/59/35/65/603593565.db2.gz SPCIVRCGVKGDIV-CUYVQJCZSA-N -1 1 380.489 2.203 20 0 GEADMM C[C@@H]1CCC[C@H](C)N(CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)C1 ZINC000825889319 603604618 /nfs/dbraw/zinc/60/46/18/603604618.db2.gz WOIKIYZIMFXVGJ-QZNHQWIBSA-N -1 1 380.489 2.203 20 0 GEADMM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC3(C1)CCCCC3)C2=O ZINC000832498366 603606731 /nfs/dbraw/zinc/60/67/31/603606731.db2.gz HEFLRDAULFZPTL-MGPUTAFESA-N -1 1 392.500 2.349 20 0 GEADMM CC(C)[C@H](CCN(C)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)NC(=O)[O-] ZINC000824080215 603607870 /nfs/dbraw/zinc/60/78/70/603607870.db2.gz YOKPHVJCGYRYFH-OALUTQOASA-N -1 1 391.512 2.325 20 0 GEADMM CC(C)[C@@H](CCN(C)C(=O)NC1CCN(Cc2ccncc2)CC1)NC(=O)[O-] ZINC000824084005 603627971 /nfs/dbraw/zinc/62/79/71/603627971.db2.gz IGRRPXNVFWSXJW-GOSISDBHSA-N -1 1 391.516 2.370 20 0 GEADMM NC(=O)[C@H](N[C@H]1CCC[C@@H]1CNC(=O)[O-])c1ccc(Br)cc1F ZINC000831167885 603650714 /nfs/dbraw/zinc/65/07/14/603650714.db2.gz SCUWKHRZLKTNIB-OXHMUOHRSA-N -1 1 388.237 2.141 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Cc1cccs1 ZINC000824426344 607646482 /nfs/dbraw/zinc/64/64/82/607646482.db2.gz DHTBORDBMNZCDK-SNVBAGLBSA-N -1 1 381.458 2.224 20 0 GEADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Cc1cccs1 ZINC000824426344 607646484 /nfs/dbraw/zinc/64/64/84/607646484.db2.gz DHTBORDBMNZCDK-SNVBAGLBSA-N -1 1 381.458 2.224 20 0 GEADMM C[C@H](CCc1cccn1C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824413554 607648345 /nfs/dbraw/zinc/64/83/45/607648345.db2.gz NHNCYOLBJSPOJN-LLVKDONJSA-N -1 1 394.888 2.158 20 0 GEADMM C[C@H](CCc1cccn1C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824413554 607648346 /nfs/dbraw/zinc/64/83/46/607648346.db2.gz NHNCYOLBJSPOJN-LLVKDONJSA-N -1 1 394.888 2.158 20 0 GEADMM CCc1cnc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000825733277 607652900 /nfs/dbraw/zinc/65/29/00/607652900.db2.gz AFQBYAOEMPNGQV-UHFFFAOYSA-N -1 1 384.874 2.018 20 0 GEADMM CCc1cnc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000825733277 607652901 /nfs/dbraw/zinc/65/29/01/607652901.db2.gz AFQBYAOEMPNGQV-UHFFFAOYSA-N -1 1 384.874 2.018 20 0 GEADMM Cc1nc(C)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826324605 607649701 /nfs/dbraw/zinc/64/97/01/607649701.db2.gz XSHXGIIAPXCDTI-UHFFFAOYSA-N -1 1 384.874 2.072 20 0 GEADMM Cc1nc(C)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826324605 607649703 /nfs/dbraw/zinc/64/97/03/607649703.db2.gz XSHXGIIAPXCDTI-UHFFFAOYSA-N -1 1 384.874 2.072 20 0 GEADMM COc1cccc([C@H](CNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829544707 603812755 /nfs/dbraw/zinc/81/27/55/603812755.db2.gz XHNJXMCCMHCTNJ-QFBILLFUSA-N -1 1 379.432 2.040 20 0 GEADMM CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)C1CCC(NC(=O)[O-])CC1 ZINC000828120469 603836302 /nfs/dbraw/zinc/83/63/02/603836302.db2.gz OPCGCYIQIRRCKP-UHFFFAOYSA-N -1 1 388.468 2.028 20 0 GEADMM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000832349998 603841093 /nfs/dbraw/zinc/84/10/93/603841093.db2.gz LTATWAOSWJWNBA-ZWKOTPCHSA-N -1 1 381.517 2.164 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H]1c1cccc(F)c1 ZINC000826496330 607655480 /nfs/dbraw/zinc/65/54/80/607655480.db2.gz SNBDSUMOUQAQMM-CYBMUJFWSA-N -1 1 377.376 2.281 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H]1c1cccc(F)c1 ZINC000826496330 607655481 /nfs/dbraw/zinc/65/54/81/607655481.db2.gz SNBDSUMOUQAQMM-CYBMUJFWSA-N -1 1 377.376 2.281 20 0 GEADMM CCCC[C@@H](CNC(=O)[O-])NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000826801280 603875832 /nfs/dbraw/zinc/87/58/32/603875832.db2.gz PSKMQPKXHNEAJW-HNNXBMFYSA-N -1 1 377.489 2.386 20 0 GEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000824640803 607658557 /nfs/dbraw/zinc/65/85/57/607658557.db2.gz PIZXSWVDHNTQPK-NWDGAFQWSA-N -1 1 375.429 2.476 20 0 GEADMM CCCCCOC1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000825276137 607658993 /nfs/dbraw/zinc/65/89/93/607658993.db2.gz QXBYAZLYRJHOAL-UHFFFAOYSA-N -1 1 385.877 2.100 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCC[C@H]1c1nccs1 ZINC000826496281 607660172 /nfs/dbraw/zinc/66/01/72/607660172.db2.gz QQQPKTVFRCPZOM-NSHDSACASA-N -1 1 394.457 2.378 20 0 GEADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCC[C@H]1c1nccs1 ZINC000826496281 607660174 /nfs/dbraw/zinc/66/01/74/607660174.db2.gz QQQPKTVFRCPZOM-NSHDSACASA-N -1 1 394.457 2.378 20 0 GEADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825459916 603949250 /nfs/dbraw/zinc/94/92/50/603949250.db2.gz TVOKTTFTBHENAL-NSHDSACASA-N -1 1 382.376 2.401 20 0 GEADMM CC(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824228454 607663753 /nfs/dbraw/zinc/66/37/53/607663753.db2.gz IMMNVJAUKQBVBD-NHYWBVRUSA-N -1 1 399.904 2.250 20 0 GEADMM CC(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824228454 607663755 /nfs/dbraw/zinc/66/37/55/607663755.db2.gz IMMNVJAUKQBVBD-NHYWBVRUSA-N -1 1 399.904 2.250 20 0 GEADMM Cc1nn(C)c(=O)c(-c2nc(CN[C@@](C)(CNC(=O)[O-])C(C)C)cs2)c1C ZINC000830845039 603964530 /nfs/dbraw/zinc/96/45/30/603964530.db2.gz BYLLDLIILGGNKT-SFHVURJKSA-N -1 1 393.513 2.293 20 0 GEADMM COc1cc(OC)c(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1Cl ZINC000829204084 603982379 /nfs/dbraw/zinc/98/23/79/603982379.db2.gz KSOUHUZZAVXOIP-UHFFFAOYSA-N -1 1 385.848 2.370 20 0 GEADMM Cc1cnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000826317851 607664177 /nfs/dbraw/zinc/66/41/77/607664177.db2.gz OQLARYLKXPSIFI-MRVPVSSYSA-N -1 1 384.874 2.325 20 0 GEADMM CN(CC(=O)Nc1ccnn1CC1CCCCC1)C1CCN(C(=O)[O-])CC1 ZINC000828120151 603984273 /nfs/dbraw/zinc/98/42/73/603984273.db2.gz DEZAOHIPKULOJP-UHFFFAOYSA-N -1 1 377.489 2.476 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000827418865 603991517 /nfs/dbraw/zinc/99/15/17/603991517.db2.gz UVELVIDPAZZENQ-FQEVSTJZSA-N -1 1 390.484 2.166 20 0 GEADMM Cc1cc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000826262584 607665572 /nfs/dbraw/zinc/66/55/72/607665572.db2.gz SKWGFAGAWMNRGS-JTQLQIEISA-N -1 1 379.392 2.493 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827418343 604014559 /nfs/dbraw/zinc/01/45/59/604014559.db2.gz NGPAQBZHVOVZNH-HNNXBMFYSA-N -1 1 390.484 2.166 20 0 GEADMM O=C([O-])NCCCOC1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000832632095 604105147 /nfs/dbraw/zinc/10/51/47/604105147.db2.gz BOSSYRFGIRPVRC-FUHWJXTLSA-N -1 1 381.517 2.306 20 0 GEADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)N(C)C)c1 ZINC000829545130 604109007 /nfs/dbraw/zinc/10/90/07/604109007.db2.gz ZQXBSKAEDMJRBB-ZVZYQTTQSA-N -1 1 392.500 2.376 20 0 GEADMM COc1cccc(CN(C)C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1OC ZINC000829556623 604202102 /nfs/dbraw/zinc/20/21/02/604202102.db2.gz QZNOVYPKHQZCRK-CABCVRRESA-N -1 1 393.484 2.030 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000825256160 604255063 /nfs/dbraw/zinc/25/50/63/604255063.db2.gz UUXJAIKRWYEUTQ-KGLIPLIRSA-N -1 1 383.876 2.203 20 0 GEADMM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1C ZINC000830386349 604258803 /nfs/dbraw/zinc/25/88/03/604258803.db2.gz KRPFUNWTJJGLFG-HUUCEWRRSA-N -1 1 376.457 2.320 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)C2)c(OC)c1 ZINC000444218476 649941940 /nfs/dbraw/zinc/94/19/40/649941940.db2.gz KSELRVCVHAPVMS-QWHCGFSZSA-N -1 1 390.527 2.314 20 0 GEADMM CC(=O)c1[nH]c(CC(=O)N2CCN(C3CCCCC3)CC2)c(C(=O)[O-])c1C ZINC000825929748 604283954 /nfs/dbraw/zinc/28/39/54/604283954.db2.gz UOLJXGNOTAXQRW-UHFFFAOYSA-N -1 1 375.469 2.243 20 0 GEADMM CCc1nc([C@H]2CN(C(=O)Nc3sc(C)c(C)c3C(=O)[O-])CCO2)n[nH]1 ZINC000830304491 604332327 /nfs/dbraw/zinc/33/23/27/604332327.db2.gz NITMPOAJXVOWPT-SNVBAGLBSA-N -1 1 379.442 2.349 20 0 GEADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000833172846 604338771 /nfs/dbraw/zinc/33/87/71/604338771.db2.gz 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C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000833621400 605049382 /nfs/dbraw/zinc/04/93/82/605049382.db2.gz BNAOIPNNRULWRH-ZDUSSCGKSA-N -1 1 382.530 2.174 20 0 GEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000833767743 605081414 /nfs/dbraw/zinc/08/14/14/605081414.db2.gz OTLRSMUYTYEUFM-RDBSUJKOSA-N -1 1 378.226 2.088 20 0 GEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(OCc2cscn2)c1 ZINC000833626123 605100165 /nfs/dbraw/zinc/10/01/65/605100165.db2.gz NWUVELFETJMRLG-AWEZNQCLSA-N -1 1 389.477 2.343 20 0 GEADMM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833543483 605110431 /nfs/dbraw/zinc/11/04/31/605110431.db2.gz UAORGTURSBJSLB-QWHCGFSZSA-N -1 1 388.386 2.480 20 0 GEADMM CC(C)C[C@@H](NC(=O)CN[C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000833476588 605119005 /nfs/dbraw/zinc/11/90/05/605119005.db2.gz CYBHHXXZADNZME-WMLDXEAASA-N -1 1 375.469 2.080 20 0 GEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)O1 ZINC000833583517 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ANJJREHDJQGMPL-GOSISDBHSA-N -1 1 383.400 2.271 20 0 GEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000833622567 605209321 /nfs/dbraw/zinc/20/93/21/605209321.db2.gz BXNADJZOUTXHMD-OAHLLOKOSA-N -1 1 393.447 2.042 20 0 GEADMM CC(C)(C)CCNC(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833429186 605219544 /nfs/dbraw/zinc/21/95/44/605219544.db2.gz CQZVDLYUPAAWFW-OAQYLSRUSA-N -1 1 375.513 2.248 20 0 GEADMM C[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCN1CCC(=O)[O-] ZINC000833619292 605251603 /nfs/dbraw/zinc/25/16/03/605251603.db2.gz AEMHISXEDOXQRE-LBPRGKRZSA-N -1 1 379.507 2.422 20 0 GEADMM C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCN1CCC(=O)[O-] ZINC000833617658 605258652 /nfs/dbraw/zinc/25/86/52/605258652.db2.gz FXYJZLQTJOOOKB-CYBMUJFWSA-N -1 1 395.297 2.488 20 0 GEADMM CC(C)COc1ncc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000630218783 605294156 /nfs/dbraw/zinc/29/41/56/605294156.db2.gz FPSQTITZCSKVHO-CYBMUJFWSA-N -1 1 383.876 2.391 20 0 GEADMM CC(C)COc1ncc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000630218786 605294252 /nfs/dbraw/zinc/29/42/52/605294252.db2.gz FPSQTITZCSKVHO-ZDUSSCGKSA-N -1 1 383.876 2.391 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc2c(c1)CCO2)c1cccs1 ZINC000445062186 649956355 /nfs/dbraw/zinc/95/63/55/649956355.db2.gz VMDJDJUHAYRUNS-INIZCTEOSA-N -1 1 381.475 2.059 20 0 GEADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000834251207 605332840 /nfs/dbraw/zinc/33/28/40/605332840.db2.gz VVNARTNMFOZXEN-WCIQWLHISA-N -1 1 388.439 2.173 20 0 GEADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)C1 ZINC000833389266 605345074 /nfs/dbraw/zinc/34/50/74/605345074.db2.gz IYNPXVYOZLRMQM-CVEARBPZSA-N -1 1 391.468 2.368 20 0 GEADMM CC[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000833847121 605372056 /nfs/dbraw/zinc/37/20/56/605372056.db2.gz IYCPOSMNHANOJK-RISCZKNCSA-N -1 1 390.419 2.189 20 0 GEADMM CC[C@@H]1CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC[C@@H]1NC(=O)[O-] ZINC000833847121 605372062 /nfs/dbraw/zinc/37/20/62/605372062.db2.gz IYCPOSMNHANOJK-RISCZKNCSA-N -1 1 390.419 2.189 20 0 GEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000834128886 605376017 /nfs/dbraw/zinc/37/60/17/605376017.db2.gz MFPPLKSKEPGXKG-CHWSQXEVSA-N -1 1 393.394 2.469 20 0 GEADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834128886 605376024 /nfs/dbraw/zinc/37/60/24/605376024.db2.gz MFPPLKSKEPGXKG-CHWSQXEVSA-N -1 1 393.394 2.469 20 0 GEADMM CN(C)Cc1cc(CNC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)ccc1F ZINC000828042756 605398808 /nfs/dbraw/zinc/39/88/08/605398808.db2.gz OXPVVLNHZZHEMG-MRXNPFEDSA-N -1 1 378.448 2.314 20 0 GEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000830084018 605578881 /nfs/dbraw/zinc/57/88/81/605578881.db2.gz DYIRHJHIXBKZMJ-INIZCTEOSA-N -1 1 392.525 2.171 20 0 GEADMM C[C@@H](NC(=O)[O-])[C@H]1CN(CCC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000833817147 605675078 /nfs/dbraw/zinc/67/50/78/605675078.db2.gz GJOPLRHIOLJFLS-GDBMZVCRSA-N -1 1 385.505 2.381 20 0 GEADMM CCN(CCCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000833859109 605712736 /nfs/dbraw/zinc/71/27/36/605712736.db2.gz ZYYXRGCEZSPRCT-HNNXBMFYSA-N -1 1 377.489 2.296 20 0 GEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000827418280 605758750 /nfs/dbraw/zinc/75/87/50/605758750.db2.gz MIXDQIDVILLWDZ-QGZVFWFLSA-N -1 1 392.500 2.458 20 0 GEADMM [O-]c1ccc(-c2noc(-c3nc4ncc(Br)cn4n3)n2)cc1F ZINC000445477680 649961721 /nfs/dbraw/zinc/96/17/21/649961721.db2.gz OSJKYRWBNTVMIB-UHFFFAOYSA-N -1 1 377.133 2.449 20 0 GEADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834212911 605822762 /nfs/dbraw/zinc/82/27/62/605822762.db2.gz WKUZNCCVBPFGCS-MJBXVCDLSA-N -1 1 376.461 2.007 20 0 GEADMM O=C([O-])N1CCC[C@H](CCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834098963 605822807 /nfs/dbraw/zinc/82/28/07/605822807.db2.gz MKAGGCHOSSJMSG-UKRRQHHQSA-N -1 1 390.488 2.351 20 0 GEADMM O=C([O-])N1CCC[C@H](NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834099685 605824495 /nfs/dbraw/zinc/82/44/95/605824495.db2.gz QDGIYTYUMICCQB-LSDHHAIUSA-N -1 1 384.440 2.461 20 0 GEADMM CCN(CC)C(=O)CN1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833654049 605829896 /nfs/dbraw/zinc/82/98/96/605829896.db2.gz XWGAWQHWUWGADV-UHFFFAOYSA-N -1 1 381.904 2.414 20 0 GEADMM O=C([O-])N1CCC2(C[C@H]2C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000834023128 605842324 /nfs/dbraw/zinc/84/23/24/605842324.db2.gz VDVYLIIQPGAQMG-KRWDZBQOSA-N -1 1 393.528 2.165 20 0 GEADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C[C@@H]3CSCCS3)cc2)n1 ZINC000834247047 605871493 /nfs/dbraw/zinc/87/14/93/605871493.db2.gz MZIJHGWEEMHNLH-GFCCVEGCSA-N -1 1 393.494 2.417 20 0 GEADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C[C@@H]3CSCCS3)cc2)n[nH]1 ZINC000834247047 605871497 /nfs/dbraw/zinc/87/14/97/605871497.db2.gz MZIJHGWEEMHNLH-GFCCVEGCSA-N -1 1 393.494 2.417 20 0 GEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000833831020 605881037 /nfs/dbraw/zinc/88/10/37/605881037.db2.gz MDYVLXSRKZJBNA-OCCSQVGLSA-N -1 1 385.411 2.224 20 0 GEADMM Cc1cc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)ccc1NC(=O)[O-] ZINC000829956653 605884024 /nfs/dbraw/zinc/88/40/24/605884024.db2.gz JYDGEICNGHLEJE-UHFFFAOYSA-N -1 1 383.452 2.162 20 0 GEADMM O=C([O-])N1CCC2(CCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)CC1 ZINC000834092413 605894019 /nfs/dbraw/zinc/89/40/19/605894019.db2.gz UIYCPEPQSVXCCW-UHFFFAOYSA-N -1 1 386.408 2.431 20 0 GEADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000833831917 605896845 /nfs/dbraw/zinc/89/68/45/605896845.db2.gz QMBRPWKQGQIOQO-QWRGUYRKSA-N -1 1 391.365 2.439 20 0 GEADMM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833548479 605902247 /nfs/dbraw/zinc/90/22/47/605902247.db2.gz KWHMZGAJBMDXLZ-CZUORRHYSA-N -1 1 399.422 2.414 20 0 GEADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000833833822 605905611 /nfs/dbraw/zinc/90/56/11/605905611.db2.gz KVOWTHOEWIJVAU-KGLIPLIRSA-N -1 1 389.477 2.327 20 0 GEADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3cccc(F)c3C(=O)[O-])CC2)CC1 ZINC000833604927 605918773 /nfs/dbraw/zinc/91/87/73/605918773.db2.gz XQHKDYVMPQVRTR-UHFFFAOYSA-N -1 1 391.443 2.185 20 0 GEADMM O=C([O-])N(CC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000834003617 605976505 /nfs/dbraw/zinc/97/65/05/605976505.db2.gz MOYDDWDCWGJBIQ-QGZVFWFLSA-N -1 1 383.452 2.411 20 0 GEADMM O=C(NCc1nc(CNc2cccc(-c3nnn[n-]3)n2)cs1)c1ccccc1 ZINC000823269541 606104977 /nfs/dbraw/zinc/10/49/77/606104977.db2.gz IOTYEAOKWLJMCH-UHFFFAOYSA-N -1 1 392.448 2.260 20 0 GEADMM O=C(NCc1nc(CNc2cccc(-c3nn[n-]n3)n2)cs1)c1ccccc1 ZINC000823269541 606104978 /nfs/dbraw/zinc/10/49/78/606104978.db2.gz IOTYEAOKWLJMCH-UHFFFAOYSA-N -1 1 392.448 2.260 20 0 GEADMM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819835216 606135090 /nfs/dbraw/zinc/13/50/90/606135090.db2.gz TWOZRZQTYSHCPO-SNVBAGLBSA-N -1 1 385.405 2.315 20 0 GEADMM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819835216 606135091 /nfs/dbraw/zinc/13/50/91/606135091.db2.gz TWOZRZQTYSHCPO-SNVBAGLBSA-N -1 1 385.405 2.315 20 0 GEADMM O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823391888 606135970 /nfs/dbraw/zinc/13/59/70/606135970.db2.gz HZEKJPLNAYQDSR-LBPRGKRZSA-N -1 1 387.396 2.420 20 0 GEADMM O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823391888 606135971 /nfs/dbraw/zinc/13/59/71/606135971.db2.gz HZEKJPLNAYQDSR-LBPRGKRZSA-N -1 1 387.396 2.420 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N[C@H](c1ccccc1)C1CC1 ZINC000823027198 606136688 /nfs/dbraw/zinc/13/66/88/606136688.db2.gz POVWQLBTXGMXOP-MRXNPFEDSA-N -1 1 383.433 2.353 20 0 GEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N[C@H](c1ccccc1)C1CC1 ZINC000823027198 606136689 /nfs/dbraw/zinc/13/66/89/606136689.db2.gz POVWQLBTXGMXOP-MRXNPFEDSA-N -1 1 383.433 2.353 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCCC1=CCCCC1 ZINC000820512983 606137238 /nfs/dbraw/zinc/13/72/38/606137238.db2.gz RJFMELRCVYMNKT-NSHDSACASA-N -1 1 375.454 2.480 20 0 GEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCCC1=CCCCC1 ZINC000820512983 606137239 /nfs/dbraw/zinc/13/72/39/606137239.db2.gz RJFMELRCVYMNKT-NSHDSACASA-N -1 1 375.454 2.480 20 0 GEADMM CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821600559 606162385 /nfs/dbraw/zinc/16/23/85/606162385.db2.gz SCFJUWJWSMHCHX-UHFFFAOYSA-N -1 1 390.835 2.186 20 0 GEADMM CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821600559 606162387 /nfs/dbraw/zinc/16/23/87/606162387.db2.gz SCFJUWJWSMHCHX-UHFFFAOYSA-N -1 1 390.835 2.186 20 0 GEADMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821613354 606164051 /nfs/dbraw/zinc/16/40/51/606164051.db2.gz JIRSILCBJXNSSZ-UHFFFAOYSA-N -1 1 380.334 2.283 20 0 GEADMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821613354 606164052 /nfs/dbraw/zinc/16/40/52/606164052.db2.gz JIRSILCBJXNSSZ-UHFFFAOYSA-N -1 1 380.334 2.283 20 0 GEADMM CC(C)CC(=O)Nc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820050682 606172379 /nfs/dbraw/zinc/17/23/79/606172379.db2.gz FAKKGOFRWQZIDW-UHFFFAOYSA-N -1 1 383.416 2.229 20 0 GEADMM CC(C)CC(=O)Nc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820050682 606172380 /nfs/dbraw/zinc/17/23/80/606172380.db2.gz FAKKGOFRWQZIDW-UHFFFAOYSA-N -1 1 383.416 2.229 20 0 GEADMM CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821589287 606173099 /nfs/dbraw/zinc/17/30/99/606173099.db2.gz GXUURPDYZWIOOQ-OAHLLOKOSA-N -1 1 381.444 2.035 20 0 GEADMM CN(C)c1cccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821589287 606173100 /nfs/dbraw/zinc/17/31/00/606173100.db2.gz GXUURPDYZWIOOQ-OAHLLOKOSA-N -1 1 381.444 2.035 20 0 GEADMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000820667728 606195389 /nfs/dbraw/zinc/19/53/89/606195389.db2.gz NRTZOGNBKWBCPT-QMTHXVAHSA-N -1 1 378.392 2.419 20 0 GEADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820254015 606292230 /nfs/dbraw/zinc/29/22/30/606292230.db2.gz MIBXJNTVURVAAN-JTQLQIEISA-N -1 1 376.417 2.014 20 0 GEADMM Cc1cccc(N2C[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)c1C ZINC000822308234 606292884 /nfs/dbraw/zinc/29/28/84/606292884.db2.gz AQOOGSBJXJRARH-CQSZACIVSA-N -1 1 392.419 2.181 20 0 GEADMM CCSCC[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821456129 606294180 /nfs/dbraw/zinc/29/41/80/606294180.db2.gz NSBHOJYBGZCYBK-VIFPVBQESA-N -1 1 382.515 2.293 20 0 GEADMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000820183711 606294989 /nfs/dbraw/zinc/29/49/89/606294989.db2.gz JLSHWKXGJXGCBY-UHFFFAOYSA-N -1 1 387.421 2.007 20 0 GEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(N2CCNC2=O)ccc1Cl ZINC000823294562 606297111 /nfs/dbraw/zinc/29/71/11/606297111.db2.gz HBSYGOBAHRKODU-UHFFFAOYSA-N -1 1 399.798 2.008 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3ccccc3[C@H]2C)cc1-c1nn[n-]n1 ZINC000821970142 606310861 /nfs/dbraw/zinc/31/08/61/606310861.db2.gz ITYLGPRTRRNQCY-SNVBAGLBSA-N -1 1 382.449 2.449 20 0 GEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000486842100 606330283 /nfs/dbraw/zinc/33/02/83/606330283.db2.gz GCXRZXPSZKDOLY-UHFFFAOYSA-N -1 1 392.828 2.279 20 0 GEADMM Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822280407 606331520 /nfs/dbraw/zinc/33/15/20/606331520.db2.gz MNMQIFGTVLWMFP-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822280407 606331522 /nfs/dbraw/zinc/33/15/22/606331522.db2.gz MNMQIFGTVLWMFP-NSHDSACASA-N -1 1 389.412 2.290 20 0 GEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000822005318 606341737 /nfs/dbraw/zinc/34/17/37/606341737.db2.gz PODHZBJOUYTZAM-ZDUSSCGKSA-N -1 1 396.451 2.442 20 0 GEADMM COc1cc(OC)cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)c1 ZINC000821723603 606392336 /nfs/dbraw/zinc/39/23/36/606392336.db2.gz FNDWEGGGKFJZHR-MDWZMJQESA-N -1 1 383.389 2.290 20 0 GEADMM CCCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821066585 606393555 /nfs/dbraw/zinc/39/35/55/606393555.db2.gz VDWNGXYSYKKBEH-AWEZNQCLSA-N -1 1 389.485 2.157 20 0 GEADMM COc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)NC2=S)c1 ZINC000821873124 606393899 /nfs/dbraw/zinc/39/38/99/606393899.db2.gz RQBPUDRUCIOWSS-WQLSENKSSA-N -1 1 384.446 2.199 20 0 GEADMM CCC1=C(C(=O)OC)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1CC1CC1 ZINC000820965967 606395155 /nfs/dbraw/zinc/39/51/55/606395155.db2.gz BCGCZGHEHHYKNH-AWEZNQCLSA-N -1 1 388.453 2.242 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823600872 606435850 /nfs/dbraw/zinc/43/58/50/606435850.db2.gz LNYNVLBHQPFJDX-MRXNPFEDSA-N -1 1 388.428 2.317 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823600872 606435852 /nfs/dbraw/zinc/43/58/52/606435852.db2.gz LNYNVLBHQPFJDX-MRXNPFEDSA-N -1 1 388.428 2.317 20 0 GEADMM CCCCn1nnnc1CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821082020 606446953 /nfs/dbraw/zinc/44/69/53/606446953.db2.gz FESYZYSIGNWVQM-UHFFFAOYSA-N -1 1 392.427 2.453 20 0 GEADMM CC(C)COC(=O)N1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000820097696 606461835 /nfs/dbraw/zinc/46/18/35/606461835.db2.gz RTGXOTKUKJTOFS-UHFFFAOYSA-N -1 1 379.852 2.220 20 0 GEADMM CC(C)COC(=O)N1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000820097696 606461836 /nfs/dbraw/zinc/46/18/36/606461836.db2.gz RTGXOTKUKJTOFS-UHFFFAOYSA-N -1 1 379.852 2.220 20 0 GEADMM O=C1CCCCN1CC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000823530454 606471314 /nfs/dbraw/zinc/47/13/14/606471314.db2.gz KKRHBXPFDVRYKP-UHFFFAOYSA-N -1 1 375.864 2.144 20 0 GEADMM O=C1CCCCN1CC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823530454 606471316 /nfs/dbraw/zinc/47/13/16/606471316.db2.gz KKRHBXPFDVRYKP-UHFFFAOYSA-N -1 1 375.864 2.144 20 0 GEADMM CN(Cc1ccc([S@](C)=O)cc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821611078 606477724 /nfs/dbraw/zinc/47/77/24/606477724.db2.gz PSOKLAYSOVTKNS-MHZLTWQESA-N -1 1 379.449 2.184 20 0 GEADMM CN(Cc1ccc([S@](C)=O)cc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821611078 606477726 /nfs/dbraw/zinc/47/77/26/606477726.db2.gz PSOKLAYSOVTKNS-MHZLTWQESA-N -1 1 379.449 2.184 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821572123 606479802 /nfs/dbraw/zinc/47/98/02/606479802.db2.gz SCKOWMVCVPTYBM-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821572123 606479804 /nfs/dbraw/zinc/47/98/04/606479804.db2.gz SCKOWMVCVPTYBM-JTQLQIEISA-N -1 1 379.852 2.361 20 0 GEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820563829 606494638 /nfs/dbraw/zinc/49/46/38/606494638.db2.gz VTEPODLHXINRBJ-LLVKDONJSA-N -1 1 380.437 2.342 20 0 GEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820563829 606494640 /nfs/dbraw/zinc/49/46/40/606494640.db2.gz VTEPODLHXINRBJ-LLVKDONJSA-N -1 1 380.437 2.342 20 0 GEADMM COc1cccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)c2nccn2C)c1 ZINC000821863174 606498202 /nfs/dbraw/zinc/49/82/02/606498202.db2.gz INUFYACHCYVWOV-HNNXBMFYSA-N -1 1 395.448 2.190 20 0 GEADMM COc1cccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)c2nccn2C)c1 ZINC000821863174 606498204 /nfs/dbraw/zinc/49/82/04/606498204.db2.gz INUFYACHCYVWOV-HNNXBMFYSA-N -1 1 395.448 2.190 20 0 GEADMM CNC(=O)c1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C2CC2)cc1 ZINC000821635072 606501780 /nfs/dbraw/zinc/50/17/80/606501780.db2.gz KSFXFAXVPRXGJN-UHFFFAOYSA-N -1 1 382.449 2.093 20 0 GEADMM CNC(=O)c1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C2CC2)cc1 ZINC000821635072 606501781 /nfs/dbraw/zinc/50/17/81/606501781.db2.gz KSFXFAXVPRXGJN-UHFFFAOYSA-N -1 1 382.449 2.093 20 0 GEADMM CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821436864 606516744 /nfs/dbraw/zinc/51/67/44/606516744.db2.gz GTPVKXPCTVRWOQ-UHFFFAOYSA-N -1 1 384.465 2.289 20 0 GEADMM CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821436864 606516746 /nfs/dbraw/zinc/51/67/46/606516746.db2.gz GTPVKXPCTVRWOQ-UHFFFAOYSA-N -1 1 384.465 2.289 20 0 GEADMM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1=O ZINC000820882303 606532323 /nfs/dbraw/zinc/53/23/23/606532323.db2.gz OTXCJWAXCDYEJB-NEPJUHHUSA-N -1 1 394.439 2.095 20 0 GEADMM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1=O ZINC000820882303 606532324 /nfs/dbraw/zinc/53/23/24/606532324.db2.gz OTXCJWAXCDYEJB-NEPJUHHUSA-N -1 1 394.439 2.095 20 0 GEADMM COc1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)s3)CCOCC2)cc1 ZINC000821782762 606533188 /nfs/dbraw/zinc/53/31/88/606533188.db2.gz NAEXXKFUYYGYRO-UHFFFAOYSA-N -1 1 399.476 2.415 20 0 GEADMM COc1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)s3)CCOCC2)cc1 ZINC000821782762 606533191 /nfs/dbraw/zinc/53/31/91/606533191.db2.gz NAEXXKFUYYGYRO-UHFFFAOYSA-N -1 1 399.476 2.415 20 0 GEADMM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821138639 606534184 /nfs/dbraw/zinc/53/41/84/606534184.db2.gz DSQJXWFAVOJVOH-UHFFFAOYSA-N -1 1 392.466 2.332 20 0 GEADMM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821138639 606534185 /nfs/dbraw/zinc/53/41/85/606534185.db2.gz DSQJXWFAVOJVOH-UHFFFAOYSA-N -1 1 392.466 2.332 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819933552 606535978 /nfs/dbraw/zinc/53/59/78/606535978.db2.gz VSFJLVRRYJVNHE-NSHDSACASA-N -1 1 392.485 2.448 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819933552 606535979 /nfs/dbraw/zinc/53/59/79/606535979.db2.gz VSFJLVRRYJVNHE-NSHDSACASA-N -1 1 392.485 2.448 20 0 GEADMM CCOc1c(OC)cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821389521 606541496 /nfs/dbraw/zinc/54/14/96/606541496.db2.gz MSPUTTQPEWSDAJ-UHFFFAOYSA-N -1 1 389.437 2.274 20 0 GEADMM CCOc1c(OC)cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821389521 606541497 /nfs/dbraw/zinc/54/14/97/606541497.db2.gz MSPUTTQPEWSDAJ-UHFFFAOYSA-N -1 1 389.437 2.274 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821572291 606544066 /nfs/dbraw/zinc/54/40/66/606544066.db2.gz YTJMGSISPSVNQA-NSHDSACASA-N -1 1 392.485 2.400 20 0 GEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821572291 606544067 /nfs/dbraw/zinc/54/40/67/606544067.db2.gz YTJMGSISPSVNQA-NSHDSACASA-N -1 1 392.485 2.400 20 0 GEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000823483577 606548420 /nfs/dbraw/zinc/54/84/20/606548420.db2.gz JPOYXRBZVCPVOY-LBPRGKRZSA-N -1 1 377.376 2.420 20 0 GEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000823483577 606548422 /nfs/dbraw/zinc/54/84/22/606548422.db2.gz JPOYXRBZVCPVOY-LBPRGKRZSA-N -1 1 377.376 2.420 20 0 GEADMM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154890 606559083 /nfs/dbraw/zinc/55/90/83/606559083.db2.gz MCHVCAJBSNXIFP-JTQLQIEISA-N -1 1 388.840 2.117 20 0 GEADMM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154890 606559084 /nfs/dbraw/zinc/55/90/84/606559084.db2.gz MCHVCAJBSNXIFP-JTQLQIEISA-N -1 1 388.840 2.117 20 0 GEADMM CN(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(F)cccc1F ZINC000821580059 606563324 /nfs/dbraw/zinc/56/33/24/606563324.db2.gz XYNJZOGNZGHFQT-LLVKDONJSA-N -1 1 378.408 2.239 20 0 GEADMM CN(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1c(F)cccc1F ZINC000821580059 606563325 /nfs/dbraw/zinc/56/33/25/606563325.db2.gz XYNJZOGNZGHFQT-LLVKDONJSA-N -1 1 378.408 2.239 20 0 GEADMM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154552 606570362 /nfs/dbraw/zinc/57/03/62/606570362.db2.gz GCVNZBSFPXESKF-NSHDSACASA-N -1 1 388.840 2.117 20 0 GEADMM O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154552 606570363 /nfs/dbraw/zinc/57/03/63/606570363.db2.gz GCVNZBSFPXESKF-NSHDSACASA-N -1 1 388.840 2.117 20 0 GEADMM COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)s3)n2)c1 ZINC000821854733 606577496 /nfs/dbraw/zinc/57/74/96/606577496.db2.gz SZJWQDKHJIHLAN-SECBINFHSA-N -1 1 397.420 2.478 20 0 GEADMM COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000821854733 606577499 /nfs/dbraw/zinc/57/74/99/606577499.db2.gz SZJWQDKHJIHLAN-SECBINFHSA-N -1 1 397.420 2.478 20 0 GEADMM CC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(=O)OC ZINC000820919241 606582075 /nfs/dbraw/zinc/58/20/75/606582075.db2.gz AGQUYNWVZPAYQO-CQSZACIVSA-N -1 1 399.382 2.480 20 0 GEADMM CC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(=O)OC ZINC000820919241 606582077 /nfs/dbraw/zinc/58/20/77/606582077.db2.gz AGQUYNWVZPAYQO-CQSZACIVSA-N -1 1 399.382 2.480 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000822541732 606585167 /nfs/dbraw/zinc/58/51/67/606585167.db2.gz PUJATOSTISSXAE-BBRMVZONSA-N -1 1 384.440 2.350 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000822541732 606585169 /nfs/dbraw/zinc/58/51/69/606585169.db2.gz PUJATOSTISSXAE-BBRMVZONSA-N -1 1 384.440 2.350 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)Cc1ccncc1 ZINC000822535436 606588603 /nfs/dbraw/zinc/58/86/03/606588603.db2.gz RGSDMKWSKCYREB-LBPRGKRZSA-N -1 1 377.408 2.315 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)Cc1ccncc1 ZINC000822535436 606588605 /nfs/dbraw/zinc/58/86/05/606588605.db2.gz RGSDMKWSKCYREB-LBPRGKRZSA-N -1 1 377.408 2.315 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000820380530 606596777 /nfs/dbraw/zinc/59/67/77/606596777.db2.gz VYSLPPOEXOGPRM-MRVPVSSYSA-N -1 1 378.343 2.084 20 0 GEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000820380530 606596779 /nfs/dbraw/zinc/59/67/79/606596779.db2.gz VYSLPPOEXOGPRM-MRVPVSSYSA-N -1 1 378.343 2.084 20 0 GEADMM CSc1nc(C2CC2)cc(C(=O)Nc2cn(C)c(=O)cc2C)c1-c1nn[n-]n1 ZINC000821990343 606640034 /nfs/dbraw/zinc/64/00/34/606640034.db2.gz RPFKRSHHCBGUMS-UHFFFAOYSA-N -1 1 397.464 2.120 20 0 GEADMM O=C(NCCNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823202173 606641717 /nfs/dbraw/zinc/64/17/17/606641717.db2.gz RYCDPTAOQWYIQO-UHFFFAOYSA-N -1 1 392.448 2.227 20 0 GEADMM O=C(NCCNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823202173 606641718 /nfs/dbraw/zinc/64/17/18/606641718.db2.gz RYCDPTAOQWYIQO-UHFFFAOYSA-N -1 1 392.448 2.227 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823436016 606649158 /nfs/dbraw/zinc/64/91/58/606649158.db2.gz DZVCTRQDTCMZMR-AWEZNQCLSA-N -1 1 398.810 2.011 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823436016 606649159 /nfs/dbraw/zinc/64/91/59/606649159.db2.gz DZVCTRQDTCMZMR-AWEZNQCLSA-N -1 1 398.810 2.011 20 0 GEADMM Cc1ccc(Nc2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)nn1 ZINC000822258987 606650692 /nfs/dbraw/zinc/65/06/92/606650692.db2.gz IFDVUBUKSYKBPD-UHFFFAOYSA-N -1 1 388.391 2.461 20 0 GEADMM Cc1ccc(Nc2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)nn1 ZINC000822258987 606650693 /nfs/dbraw/zinc/65/06/93/606650693.db2.gz IFDVUBUKSYKBPD-UHFFFAOYSA-N -1 1 388.391 2.461 20 0 GEADMM Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c12 ZINC000822530644 606652208 /nfs/dbraw/zinc/65/22/08/606652208.db2.gz KRNBZJIVUWPDIP-UHFFFAOYSA-N -1 1 377.364 2.341 20 0 GEADMM Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c12 ZINC000822530644 606652209 /nfs/dbraw/zinc/65/22/09/606652209.db2.gz KRNBZJIVUWPDIP-UHFFFAOYSA-N -1 1 377.364 2.341 20 0 GEADMM COc1ccc(C)cc1-n1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000821783107 606652670 /nfs/dbraw/zinc/65/26/70/606652670.db2.gz WODODKFAMVTHPE-UHFFFAOYSA-N -1 1 391.391 2.121 20 0 GEADMM COc1ccc(C)cc1-n1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000821783107 606652671 /nfs/dbraw/zinc/65/26/71/606652671.db2.gz WODODKFAMVTHPE-UHFFFAOYSA-N -1 1 391.391 2.121 20 0 GEADMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)[nH]n2)c1 ZINC000822196689 606655985 /nfs/dbraw/zinc/65/59/85/606655985.db2.gz SRHDTKFWMDUOEO-UHFFFAOYSA-N -1 1 396.436 2.069 20 0 GEADMM COc1ccc2c(c1)C=C(C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)CO2 ZINC000821849362 606684517 /nfs/dbraw/zinc/68/45/17/606684517.db2.gz FNXFVCNBIQIPGZ-UHFFFAOYSA-N -1 1 395.423 2.241 20 0 GEADMM COc1ccc2c(c1)C=C(C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)CO2 ZINC000821849362 606684518 /nfs/dbraw/zinc/68/45/18/606684518.db2.gz FNXFVCNBIQIPGZ-UHFFFAOYSA-N -1 1 395.423 2.241 20 0 GEADMM C[C@@]1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820635248 606744252 /nfs/dbraw/zinc/74/42/52/606744252.db2.gz LBNJWWFEHZLUIY-GOSISDBHSA-N -1 1 387.440 2.358 20 0 GEADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823600668 606745086 /nfs/dbraw/zinc/74/50/86/606745086.db2.gz KGKHVWGJQWDYDD-LBPRGKRZSA-N -1 1 391.403 2.323 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC1CCCC1 ZINC000820774501 606823208 /nfs/dbraw/zinc/82/32/08/606823208.db2.gz DSIFRIXURXDDBQ-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC1CCCC1 ZINC000820774501 606823209 /nfs/dbraw/zinc/82/32/09/606823209.db2.gz DSIFRIXURXDDBQ-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC1CCCCC1 ZINC000820778377 606823613 /nfs/dbraw/zinc/82/36/13/606823613.db2.gz WBTHHVBFMKSHHJ-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC1CCCCC1 ZINC000820778377 606823615 /nfs/dbraw/zinc/82/36/15/606823615.db2.gz WBTHHVBFMKSHHJ-CQSZACIVSA-N -1 1 384.488 2.054 20 0 GEADMM CC[C@@H]1CC[C@@H](C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)O1 ZINC000820972577 606828191 /nfs/dbraw/zinc/82/81/91/606828191.db2.gz PMCFZGAXSBKOSG-ZBFHGGJFSA-N -1 1 382.424 2.362 20 0 GEADMM CCc1nn(CCN2CCCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518531 606853368 /nfs/dbraw/zinc/85/33/68/606853368.db2.gz YWSXJQSNLIHOGE-UHFFFAOYSA-N -1 1 379.468 2.001 20 0 GEADMM CCC[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000821040639 606872576 /nfs/dbraw/zinc/87/25/76/606872576.db2.gz NZAUQGXFGHQDQQ-HNNXBMFYSA-N -1 1 396.499 2.498 20 0 GEADMM CCC[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000821040639 606872578 /nfs/dbraw/zinc/87/25/78/606872578.db2.gz NZAUQGXFGHQDQQ-HNNXBMFYSA-N -1 1 396.499 2.498 20 0 GEADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821043007 606902900 /nfs/dbraw/zinc/90/29/00/606902900.db2.gz KIERPQJSYRSEGL-ZDUSSCGKSA-N -1 1 389.460 2.075 20 0 GEADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821043007 606902902 /nfs/dbraw/zinc/90/29/02/606902902.db2.gz KIERPQJSYRSEGL-ZDUSSCGKSA-N -1 1 389.460 2.075 20 0 GEADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000821720290 606936554 /nfs/dbraw/zinc/93/65/54/606936554.db2.gz QIPPBGDVDBXQHP-UHFFFAOYSA-N -1 1 385.327 2.093 20 0 GEADMM Cc1ccc2c(c1)[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)CO2 ZINC000822274692 606936697 /nfs/dbraw/zinc/93/66/97/606936697.db2.gz GGXVSUNBWZOCSI-HNNXBMFYSA-N -1 1 394.435 2.075 20 0 GEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000821022795 606941246 /nfs/dbraw/zinc/94/12/46/606941246.db2.gz UXUYUQUFJSDDPE-CQSZACIVSA-N -1 1 394.407 2.360 20 0 GEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000821022795 606941247 /nfs/dbraw/zinc/94/12/47/606941247.db2.gz UXUYUQUFJSDDPE-CQSZACIVSA-N -1 1 394.407 2.360 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(O[C@@H]2CCOC2)c1 ZINC000822238519 606956533 /nfs/dbraw/zinc/95/65/33/606956533.db2.gz KTJBDLSEVFRBMJ-CYBMUJFWSA-N -1 1 385.449 2.334 20 0 GEADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(O[C@@H]2CCOC2)c1 ZINC000822238519 606956535 /nfs/dbraw/zinc/95/65/35/606956535.db2.gz KTJBDLSEVFRBMJ-CYBMUJFWSA-N -1 1 385.449 2.334 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccncc2Br)n1 ZINC000819971253 606958595 /nfs/dbraw/zinc/95/85/95/606958595.db2.gz GKOSRYRMBAQWFM-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccncc2Br)n1 ZINC000819971253 606958597 /nfs/dbraw/zinc/95/85/97/606958597.db2.gz GKOSRYRMBAQWFM-UHFFFAOYSA-N -1 1 391.233 2.228 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)n1 ZINC000821990392 607023908 /nfs/dbraw/zinc/02/39/08/607023908.db2.gz RVWOAVMHRVBHME-UHFFFAOYSA-N -1 1 376.471 2.023 20 0 GEADMM CSc1nc(C)c(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)n1 ZINC000821990392 607023909 /nfs/dbraw/zinc/02/39/09/607023909.db2.gz RVWOAVMHRVBHME-UHFFFAOYSA-N -1 1 376.471 2.023 20 0 GEADMM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000819958804 607024492 /nfs/dbraw/zinc/02/44/92/607024492.db2.gz QMPLUZJHPPRMHR-UHFFFAOYSA-N -1 1 399.480 2.379 20 0 GEADMM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000819958804 607024493 /nfs/dbraw/zinc/02/44/93/607024493.db2.gz QMPLUZJHPPRMHR-UHFFFAOYSA-N -1 1 399.480 2.379 20 0 GEADMM COC(=O)c1csc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000821671430 607155421 /nfs/dbraw/zinc/15/54/21/607155421.db2.gz VRSKGWVLFMIXJP-UHFFFAOYSA-N -1 1 399.841 2.169 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000822535222 607185296 /nfs/dbraw/zinc/18/52/96/607185296.db2.gz JWVCKRZDPIFKPX-YPMHNXCESA-N -1 1 396.407 2.394 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000822535222 607185297 /nfs/dbraw/zinc/18/52/97/607185297.db2.gz JWVCKRZDPIFKPX-YPMHNXCESA-N -1 1 396.407 2.394 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCNC(=O)C1CCCC1 ZINC000822541835 607206185 /nfs/dbraw/zinc/20/61/85/607206185.db2.gz RAUDXLAFHFYTRW-UHFFFAOYSA-N -1 1 398.423 2.022 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCNC(=O)C1CCCC1 ZINC000822541835 607206186 /nfs/dbraw/zinc/20/61/86/607206186.db2.gz RAUDXLAFHFYTRW-UHFFFAOYSA-N -1 1 398.423 2.022 20 0 GEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000823136160 607214575 /nfs/dbraw/zinc/21/45/75/607214575.db2.gz MLYXRNSQNUJIRM-UHFFFAOYSA-N -1 1 382.334 2.042 20 0 GEADMM Cc1cc(Oc2ccccc2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822211948 607216073 /nfs/dbraw/zinc/21/60/73/607216073.db2.gz VFZIYPZRDMCGHR-UHFFFAOYSA-N -1 1 376.380 2.198 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1 ZINC000820585494 607238995 /nfs/dbraw/zinc/23/89/95/607238995.db2.gz NUDPAZONOAOGKK-UHFFFAOYSA-N -1 1 394.439 2.300 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1 ZINC000820585494 607238996 /nfs/dbraw/zinc/23/89/96/607238996.db2.gz NUDPAZONOAOGKK-UHFFFAOYSA-N -1 1 394.439 2.300 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1(C)CCCCC1 ZINC000824999531 607794571 /nfs/dbraw/zinc/79/45/71/607794571.db2.gz HIISBEROLWQGRL-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1(C)CCCCC1 ZINC000824999531 607794572 /nfs/dbraw/zinc/79/45/72/607794572.db2.gz HIISBEROLWQGRL-AWEZNQCLSA-N -1 1 384.488 2.054 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826341148 607825067 /nfs/dbraw/zinc/82/50/67/607825067.db2.gz YGOFOZKAVSZBHD-APHBMKBZSA-N -1 1 394.435 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826341148 607825068 /nfs/dbraw/zinc/82/50/68/607825068.db2.gz YGOFOZKAVSZBHD-APHBMKBZSA-N -1 1 394.435 2.246 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000826340943 607856082 /nfs/dbraw/zinc/85/60/82/607856082.db2.gz PTKKSYUOQAGQJK-HNNXBMFYSA-N -1 1 396.451 2.448 20 0 GEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000826340943 607856083 /nfs/dbraw/zinc/85/60/83/607856083.db2.gz PTKKSYUOQAGQJK-HNNXBMFYSA-N -1 1 396.451 2.448 20 0 GEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000826418484 607864698 /nfs/dbraw/zinc/86/46/98/607864698.db2.gz IYFXALUVBCVHBU-UHFFFAOYSA-N -1 1 393.281 2.345 20 0 GEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000826418484 607864699 /nfs/dbraw/zinc/86/46/99/607864699.db2.gz IYFXALUVBCVHBU-UHFFFAOYSA-N -1 1 393.281 2.345 20 0 GEADMM O=S(=O)(Cc1cccc2cccnc21)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826486372 607868027 /nfs/dbraw/zinc/86/80/27/607868027.db2.gz AGXGLSJHKJFTBK-UHFFFAOYSA-N -1 1 385.380 2.463 20 0 GEADMM O=S(=O)(Cc1cccc2cccnc21)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826486372 607868028 /nfs/dbraw/zinc/86/80/28/607868028.db2.gz AGXGLSJHKJFTBK-UHFFFAOYSA-N -1 1 385.380 2.463 20 0 GEADMM c1coc(-c2nc(CN3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)cs2)c1 ZINC000826514699 607896722 /nfs/dbraw/zinc/89/67/22/607896722.db2.gz ZWAVDLKQJHXZHE-UHFFFAOYSA-N -1 1 394.464 2.300 20 0 GEADMM CCOc1ccc(C[C@@H](CNc2cccc(-c3nnn[n-]3)n2)C(=O)OC)cc1 ZINC000825638644 607898095 /nfs/dbraw/zinc/89/80/95/607898095.db2.gz MUOAUGNDIIMZQN-AWEZNQCLSA-N -1 1 382.424 2.104 20 0 GEADMM CCOc1ccc(C[C@@H](CNc2cccc(-c3nn[n-]n3)n2)C(=O)OC)cc1 ZINC000825638644 607898096 /nfs/dbraw/zinc/89/80/96/607898096.db2.gz MUOAUGNDIIMZQN-AWEZNQCLSA-N -1 1 382.424 2.104 20 0 GEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826467423 607945671 /nfs/dbraw/zinc/94/56/71/607945671.db2.gz VVFQCHQIXWMCGX-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000826467423 607945672 /nfs/dbraw/zinc/94/56/72/607945672.db2.gz VVFQCHQIXWMCGX-UHFFFAOYSA-N -1 1 381.783 2.458 20 0 GEADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825081152 607994092 /nfs/dbraw/zinc/99/40/92/607994092.db2.gz GWGDGJSDSIFCNI-ZYHUDNBSSA-N -1 1 390.513 2.388 20 0 GEADMM Cc1ccc(C(=O)N[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C(C)C)cc1 ZINC000826282032 607996811 /nfs/dbraw/zinc/99/68/11/607996811.db2.gz VGMCAQWWJUSKMZ-KRWDZBQOSA-N -1 1 394.435 2.274 20 0 GEADMM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824304859 607997263 /nfs/dbraw/zinc/99/72/63/607997263.db2.gz GTUFLKOTVNRUPN-UHFFFAOYSA-N -1 1 381.396 2.355 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103642 607997878 /nfs/dbraw/zinc/99/78/78/607997878.db2.gz FGVXVZBNVQVLTM-ZDUSSCGKSA-N -1 1 388.428 2.300 20 0 GEADMM CN1C(=O)CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@@H]1c1ccccc1 ZINC000826011067 607999314 /nfs/dbraw/zinc/99/93/14/607999314.db2.gz VSMXWYVDMDNPRE-KSSFIOAISA-N -1 1 392.419 2.121 20 0 GEADMM CSCc1nc2ccccc2n1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826229078 607999682 /nfs/dbraw/zinc/99/96/82/607999682.db2.gz OCARMROHQWITNM-UHFFFAOYSA-N -1 1 395.448 2.424 20 0 GEADMM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826459785 608006698 /nfs/dbraw/zinc/00/66/98/608006698.db2.gz ZHYWSHQMOIUFKB-UHFFFAOYSA-N -1 1 389.404 2.309 20 0 GEADMM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826459785 608006699 /nfs/dbraw/zinc/00/66/99/608006699.db2.gz ZHYWSHQMOIUFKB-UHFFFAOYSA-N -1 1 389.404 2.309 20 0 GEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826494773 608026618 /nfs/dbraw/zinc/02/66/18/608026618.db2.gz OOMPXTBJIOUEQP-INIZCTEOSA-N -1 1 398.492 2.438 20 0 GEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000826494773 608026619 /nfs/dbraw/zinc/02/66/19/608026619.db2.gz OOMPXTBJIOUEQP-INIZCTEOSA-N -1 1 398.492 2.438 20 0 GEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(OCC(F)F)n2)n1 ZINC000824147715 608028541 /nfs/dbraw/zinc/02/85/41/608028541.db2.gz HQDVVNRYYJLFOD-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(OCC(F)F)n2)n1 ZINC000824147715 608028542 /nfs/dbraw/zinc/02/85/42/608028542.db2.gz HQDVVNRYYJLFOD-UHFFFAOYSA-N -1 1 392.370 2.109 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826333080 608030112 /nfs/dbraw/zinc/03/01/12/608030112.db2.gz SPCQCXOZXWARMB-WBMJQRKESA-N -1 1 394.435 2.409 20 0 GEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826333179 608059259 /nfs/dbraw/zinc/05/92/59/608059259.db2.gz XNAZTNYQKWYSFW-JSGCOSHPSA-N -1 1 394.435 2.409 20 0 GEADMM CC(C)n1cccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824371503 608117095 /nfs/dbraw/zinc/11/70/95/608117095.db2.gz IEBKFVOBTCYXDH-UHFFFAOYSA-N -1 1 396.455 2.077 20 0 GEADMM Cc1cccc(C2=CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000826298028 608154065 /nfs/dbraw/zinc/15/40/65/608154065.db2.gz ZRFTYLGYXXIUND-UHFFFAOYSA-N -1 1 382.449 2.048 20 0 GEADMM Cc1cccc(C2=CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000826298028 608154068 /nfs/dbraw/zinc/15/40/68/608154068.db2.gz ZRFTYLGYXXIUND-UHFFFAOYSA-N -1 1 382.449 2.048 20 0 GEADMM CCS(=O)(=O)Nc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825669311 608177405 /nfs/dbraw/zinc/17/74/05/608177405.db2.gz UTUVGTHATBQDNQ-UHFFFAOYSA-N -1 1 385.862 2.482 20 0 GEADMM CCS(=O)(=O)Nc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825669311 608177406 /nfs/dbraw/zinc/17/74/06/608177406.db2.gz UTUVGTHATBQDNQ-UHFFFAOYSA-N -1 1 385.862 2.482 20 0 GEADMM CNS(=O)(=O)c1cccc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826090110 608182711 /nfs/dbraw/zinc/18/27/11/608182711.db2.gz CNZJVHORPNYHHD-SSDOTTSWSA-N -1 1 399.889 2.058 20 0 GEADMM CNS(=O)(=O)c1cccc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826090110 608182712 /nfs/dbraw/zinc/18/27/12/608182712.db2.gz CNZJVHORPNYHHD-SSDOTTSWSA-N -1 1 399.889 2.058 20 0 GEADMM O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426878 608183308 /nfs/dbraw/zinc/18/33/08/608183308.db2.gz YJLRBKDIFOSITO-SNVBAGLBSA-N -1 1 394.254 2.154 20 0 GEADMM O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426878 608183309 /nfs/dbraw/zinc/18/33/09/608183309.db2.gz YJLRBKDIFOSITO-SNVBAGLBSA-N -1 1 394.254 2.154 20 0 GEADMM CN1C[C@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1=O ZINC000826017290 608187382 /nfs/dbraw/zinc/18/73/82/608187382.db2.gz JXBBTBMYIKMJPN-CYBMUJFWSA-N -1 1 397.366 2.186 20 0 GEADMM CN1C[C@H](OC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1=O ZINC000826017290 608187384 /nfs/dbraw/zinc/18/73/84/608187384.db2.gz JXBBTBMYIKMJPN-CYBMUJFWSA-N -1 1 397.366 2.186 20 0 GEADMM O=C1CCCCN1CC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826479888 608187907 /nfs/dbraw/zinc/18/79/07/608187907.db2.gz LGWHRVRFOSGELA-UHFFFAOYSA-N -1 1 381.893 2.206 20 0 GEADMM O=C1CCCCN1CC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826479888 608187911 /nfs/dbraw/zinc/18/79/11/608187911.db2.gz LGWHRVRFOSGELA-UHFFFAOYSA-N -1 1 381.893 2.206 20 0 GEADMM CC(C)(C)OC(=O)N1CCC(OC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000824104144 608194923 /nfs/dbraw/zinc/19/49/23/608194923.db2.gz NYCFYWRAZRCVMO-UHFFFAOYSA-N -1 1 379.442 2.485 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000825923764 608211652 /nfs/dbraw/zinc/21/16/52/608211652.db2.gz UXTDVRPQWXJTCR-AWEZNQCLSA-N -1 1 394.483 2.073 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000825923764 608211653 /nfs/dbraw/zinc/21/16/53/608211653.db2.gz UXTDVRPQWXJTCR-AWEZNQCLSA-N -1 1 394.483 2.073 20 0 GEADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@]1(O)CCSC1 ZINC000826442347 608243312 /nfs/dbraw/zinc/24/33/12/608243312.db2.gz RSMNKBURGPZAGZ-QGZVFWFLSA-N -1 1 387.490 2.079 20 0 GEADMM CC(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000824215307 608248798 /nfs/dbraw/zinc/24/87/98/608248798.db2.gz KKMUUOSNGTUARV-ZYHUDNBSSA-N -1 1 385.877 2.002 20 0 GEADMM CC(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000824215307 608248799 /nfs/dbraw/zinc/24/87/99/608248799.db2.gz KKMUUOSNGTUARV-ZYHUDNBSSA-N -1 1 385.877 2.002 20 0 GEADMM CC(C)(C)OC(=O)N1CCC2(CCN(c3cccc(-c4nnn[n-]4)n3)C2)CC1 ZINC000824104582 608295953 /nfs/dbraw/zinc/29/59/53/608295953.db2.gz VAUJAGHBDHLAMU-UHFFFAOYSA-N -1 1 385.472 2.489 20 0 GEADMM CC(C)(C)OC(=O)N1CCC2(CCN(c3cccc(-c4nn[n-]n4)n3)C2)CC1 ZINC000824104582 608295956 /nfs/dbraw/zinc/29/59/56/608295956.db2.gz VAUJAGHBDHLAMU-UHFFFAOYSA-N -1 1 385.472 2.489 20 0 GEADMM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825740018 608303475 /nfs/dbraw/zinc/30/34/75/608303475.db2.gz NEYDKHVNZBTRHU-VIFPVBQESA-N -1 1 394.407 2.142 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN(CCCO)CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826332320 608313501 /nfs/dbraw/zinc/31/35/01/608313501.db2.gz QFLWNCWEWYSGAX-UHFFFAOYSA-N -1 1 395.389 2.108 20 0 GEADMM Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2C(=O)OC(C)C)c1-c1nn[n-]n1 ZINC000826332007 608316197 /nfs/dbraw/zinc/31/61/97/608316197.db2.gz GVJLWSTVLVZIBN-INIZCTEOSA-N -1 1 395.467 2.277 20 0 GEADMM Cc1oc(NC(=O)COC(=O)c2c(F)ccc(C)c2F)c(-c2nn[n-]n2)c1C ZINC000826289392 608378260 /nfs/dbraw/zinc/37/82/60/608378260.db2.gz YCIOQBJVJFMUGG-UHFFFAOYSA-N -1 1 391.334 2.459 20 0 GEADMM c1ccc(CCNc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)cc1 ZINC000826521171 608394299 /nfs/dbraw/zinc/39/42/99/608394299.db2.gz CFVVJCWHRVILJX-UHFFFAOYSA-N -1 1 383.466 2.314 20 0 GEADMM c1ccc(CCNc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)cc1 ZINC000826521171 608394301 /nfs/dbraw/zinc/39/43/01/608394301.db2.gz CFVVJCWHRVILJX-UHFFFAOYSA-N -1 1 383.466 2.314 20 0 GEADMM COc1cc(OC)c(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c(OC)c1 ZINC000826180864 608395281 /nfs/dbraw/zinc/39/52/81/608395281.db2.gz AFKSRNREERRRKB-UHFFFAOYSA-N -1 1 397.439 2.067 20 0 GEADMM COc1cc(OC)c(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c(OC)c1 ZINC000826180864 608395283 /nfs/dbraw/zinc/39/52/83/608395283.db2.gz AFKSRNREERRRKB-UHFFFAOYSA-N -1 1 397.439 2.067 20 0 GEADMM c1ccc2c(c1)CCN(c1ccc(CNc3ccc(-c4nnn[n-]4)nn3)cn1)C2 ZINC000826523683 608401401 /nfs/dbraw/zinc/40/14/01/608401401.db2.gz UDDGZLMNXYSHTD-UHFFFAOYSA-N -1 1 385.435 2.227 20 0 GEADMM c1ccc2c(c1)CCN(c1ccc(CNc3ccc(-c4nn[n-]n4)nn3)cn1)C2 ZINC000826523683 608401403 /nfs/dbraw/zinc/40/14/03/608401403.db2.gz UDDGZLMNXYSHTD-UHFFFAOYSA-N -1 1 385.435 2.227 20 0 GEADMM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825923672 608403419 /nfs/dbraw/zinc/40/34/19/608403419.db2.gz QVOQTZOXPCVMLE-UHFFFAOYSA-N -1 1 393.430 2.265 20 0 GEADMM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923672 608403420 /nfs/dbraw/zinc/40/34/20/608403420.db2.gz QVOQTZOXPCVMLE-UHFFFAOYSA-N -1 1 393.430 2.265 20 0 GEADMM O=C([N-]CCCSCCCOc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000826436798 608405679 /nfs/dbraw/zinc/40/56/79/608405679.db2.gz JKEAQUGHFZEHRU-UHFFFAOYSA-N -1 1 389.403 2.437 20 0 GEADMM c1ccc2sc(N3CCC(Nc4ccc(-c5nnn[n-]5)nn4)CC3)nc2c1 ZINC000826524257 608407970 /nfs/dbraw/zinc/40/79/70/608407970.db2.gz OKVRBEIVQUKQMZ-UHFFFAOYSA-N -1 1 379.453 2.347 20 0 GEADMM c1ccc2sc(N3CCC(Nc4ccc(-c5nn[n-]n5)nn4)CC3)nc2c1 ZINC000826524257 608407971 /nfs/dbraw/zinc/40/79/71/608407971.db2.gz OKVRBEIVQUKQMZ-UHFFFAOYSA-N -1 1 379.453 2.347 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826368346 608420161 /nfs/dbraw/zinc/42/01/61/608420161.db2.gz MCJIGWQZSHSVBE-LLVKDONJSA-N -1 1 376.346 2.366 20 0 GEADMM FC(F)(F)c1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826368346 608420163 /nfs/dbraw/zinc/42/01/63/608420163.db2.gz MCJIGWQZSHSVBE-LLVKDONJSA-N -1 1 376.346 2.366 20 0 GEADMM OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC000826506278 608439286 /nfs/dbraw/zinc/43/92/86/608439286.db2.gz QSCVEQHSFIISEB-FSWDVZBNSA-N -1 1 399.405 2.040 20 0 GEADMM OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC000826506278 608439288 /nfs/dbraw/zinc/43/92/88/608439288.db2.gz QSCVEQHSFIISEB-FSWDVZBNSA-N -1 1 399.405 2.040 20 0 GEADMM CC(C)NC(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000824305742 608493729 /nfs/dbraw/zinc/49/37/29/608493729.db2.gz UJLVRGPFKRTJBT-UHFFFAOYSA-N -1 1 396.455 2.209 20 0 GEADMM CC(C)NC(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000824305742 608493730 /nfs/dbraw/zinc/49/37/30/608493730.db2.gz UJLVRGPFKRTJBT-UHFFFAOYSA-N -1 1 396.455 2.209 20 0 GEADMM CN(CCN(C)c1c2ccccc2nnc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825937649 608552781 /nfs/dbraw/zinc/55/27/81/608552781.db2.gz FVNUPZITVLZBPY-UHFFFAOYSA-N -1 1 384.444 2.113 20 0 GEADMM CN(CCN(C)c1c2ccccc2nnc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825937649 608552782 /nfs/dbraw/zinc/55/27/82/608552782.db2.gz FVNUPZITVLZBPY-UHFFFAOYSA-N -1 1 384.444 2.113 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000825923788 608556868 /nfs/dbraw/zinc/55/68/68/608556868.db2.gz VUHRTNSRXHUNMZ-MELADBBJSA-N -1 1 386.504 2.170 20 0 GEADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000825923788 608556870 /nfs/dbraw/zinc/55/68/70/608556870.db2.gz VUHRTNSRXHUNMZ-MELADBBJSA-N -1 1 386.504 2.170 20 0 GEADMM O=Cc1cc(Cl)cc(F)c1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826483984 608564525 /nfs/dbraw/zinc/56/45/25/608564525.db2.gz IOBGPWQLWVHDDN-UHFFFAOYSA-N -1 1 382.760 2.239 20 0 GEADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826146568 608568853 /nfs/dbraw/zinc/56/88/53/608568853.db2.gz XTKZQWPFADQOGT-SMDDNHRTSA-N -1 1 388.497 2.406 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N2CCc3cccc(F)c3C2)cc1-c1nn[n-]n1 ZINC000826229640 608568939 /nfs/dbraw/zinc/56/89/39/608568939.db2.gz LKJFGGWRNMTSQJ-UHFFFAOYSA-N -1 1 386.412 2.027 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C[C@@H]1O ZINC000824976416 608591896 /nfs/dbraw/zinc/59/18/96/608591896.db2.gz OSMDNYORSFXLNZ-ABAIWWIYSA-N -1 1 383.383 2.251 20 0 GEADMM C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C[C@@H]1O ZINC000824976416 608591898 /nfs/dbraw/zinc/59/18/98/608591898.db2.gz OSMDNYORSFXLNZ-ABAIWWIYSA-N -1 1 383.383 2.251 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)cc1Br ZINC000826260899 608667606 /nfs/dbraw/zinc/66/76/06/608667606.db2.gz JNALAMIICGIGRG-UHFFFAOYSA-N -1 1 376.218 2.232 20 0 GEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)cc1Br ZINC000826260899 608667607 /nfs/dbraw/zinc/66/76/07/608667607.db2.gz JNALAMIICGIGRG-UHFFFAOYSA-N -1 1 376.218 2.232 20 0 GEADMM O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826455127 608721231 /nfs/dbraw/zinc/72/12/31/608721231.db2.gz ABEDQIHTIUTOAN-INIZCTEOSA-N -1 1 394.435 2.388 20 0 GEADMM O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826455127 608721233 /nfs/dbraw/zinc/72/12/33/608721233.db2.gz ABEDQIHTIUTOAN-INIZCTEOSA-N -1 1 394.435 2.388 20 0 GEADMM COc1cc(F)cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826179702 608756713 /nfs/dbraw/zinc/75/67/13/608756713.db2.gz AHNGRXPXNHMWFV-UHFFFAOYSA-N -1 1 397.819 2.146 20 0 GEADMM Cc1n[nH]c2cc(NC(=O)CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)ccc12 ZINC000826233080 608828385 /nfs/dbraw/zinc/82/83/85/608828385.db2.gz SZVSXKJPNPXFMP-UHFFFAOYSA-N -1 1 392.423 2.340 20 0 GEADMM C[C@H]1CC(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C[C@H](C)C1 ZINC000824873975 609147152 /nfs/dbraw/zinc/14/71/52/609147152.db2.gz AQYVAPJBALDTOQ-CHWSQXEVSA-N -1 1 399.499 2.453 20 0 GEADMM O=C1[C@@H]2CSCN2C(=O)N1Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826478339 609277674 /nfs/dbraw/zinc/27/76/74/609277674.db2.gz ZQCDCULVKWCRKN-LBPRGKRZSA-N -1 1 398.473 2.432 20 0 GEADMM C[C@@H]1CCCCN1C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824937232 609278690 /nfs/dbraw/zinc/27/86/90/609278690.db2.gz OUOBLWHHYHXPOQ-GFCCVEGCSA-N -1 1 384.419 2.004 20 0 GEADMM CC(C)c1nn(C)cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824364314 609287009 /nfs/dbraw/zinc/28/70/09/609287009.db2.gz ASMZBXKGNONXHU-UHFFFAOYSA-N -1 1 395.402 2.301 20 0 GEADMM Cc1nc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000826325001 609287573 /nfs/dbraw/zinc/28/75/73/609287573.db2.gz LELVBKDXBUOGNZ-UHFFFAOYSA-N -1 1 384.400 2.138 20 0 GEADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824869208 609288684 /nfs/dbraw/zinc/28/86/84/609288684.db2.gz ZCUFKTNVOFJORK-ZYHUDNBSSA-N -1 1 383.387 2.135 20 0 GEADMM C[C@@H]1CC[C@H](CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)O1 ZINC000824908901 609288836 /nfs/dbraw/zinc/28/88/36/609288836.db2.gz RIGPFBQTEVNTSK-VXGBXAGGSA-N -1 1 385.403 2.478 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1Cc2ccccc2O1 ZINC000826458470 609291926 /nfs/dbraw/zinc/29/19/26/609291926.db2.gz REINZBFZTRCIRO-OAHLLOKOSA-N -1 1 391.366 2.134 20 0 GEADMM Cc1ccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826286728 609292513 /nfs/dbraw/zinc/29/25/13/609292513.db2.gz NUPLAMIVYHZVLN-UHFFFAOYSA-N -1 1 378.371 2.076 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cc(Cl)ccn1 ZINC000826458121 609292956 /nfs/dbraw/zinc/29/29/56/609292956.db2.gz DGPONQZZHXZADX-UHFFFAOYSA-N -1 1 384.762 2.492 20 0 GEADMM Cn1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1C1CC1 ZINC000826366215 609292998 /nfs/dbraw/zinc/29/29/98/609292998.db2.gz XUSUUIWNOHDZBV-UHFFFAOYSA-N -1 1 393.386 2.055 20 0 GEADMM COc1ccc(C[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000826191286 609296151 /nfs/dbraw/zinc/29/61/51/609296151.db2.gz BTPZRBOMNKMPRY-LBPRGKRZSA-N -1 1 383.408 2.201 20 0 GEADMM COc1ccc(C[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000826191286 609296153 /nfs/dbraw/zinc/29/61/53/609296153.db2.gz BTPZRBOMNKMPRY-LBPRGKRZSA-N -1 1 383.408 2.201 20 0 GEADMM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](OC(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000826341564 609297714 /nfs/dbraw/zinc/29/77/14/609297714.db2.gz KNRXXAUDWVYLBB-MWLCHTKSSA-N -1 1 384.387 2.107 20 0 GEADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CC(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826229795 609301116 /nfs/dbraw/zinc/30/11/16/609301116.db2.gz RLIATTNCINPGSN-JTQLQIEISA-N -1 1 398.448 2.081 20 0 GEADMM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000826477322 609318386 /nfs/dbraw/zinc/31/83/86/609318386.db2.gz ABQVNGHTVBHCFT-GFCCVEGCSA-N -1 1 391.222 2.181 20 0 GEADMM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000826477322 609318388 /nfs/dbraw/zinc/31/83/88/609318388.db2.gz ABQVNGHTVBHCFT-GFCCVEGCSA-N -1 1 391.222 2.181 20 0 GEADMM Fc1cccc(-n2ccc(NCc3cnc4ccccn34)n2)c1-c1nn[n-]n1 ZINC000826376373 609320372 /nfs/dbraw/zinc/32/03/72/609320372.db2.gz ARALJBNLAMPDGU-UHFFFAOYSA-N -1 1 375.371 2.451 20 0 GEADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000826492433 609338807 /nfs/dbraw/zinc/33/88/07/609338807.db2.gz KNPPTSMQYHASJA-UHFFFAOYSA-N -1 1 379.785 2.050 20 0 GEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1CCSCC1 ZINC000826458303 609357411 /nfs/dbraw/zinc/35/74/11/609357411.db2.gz KTXRQQVVRXHBDC-UHFFFAOYSA-N -1 1 388.432 2.209 20 0 GEADMM CSC[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228123 609358932 /nfs/dbraw/zinc/35/89/32/609358932.db2.gz FQMMJJQAEONTKO-SECBINFHSA-N -1 1 376.421 2.065 20 0 GEADMM CSC(C)(C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826224361 609361539 /nfs/dbraw/zinc/36/15/39/609361539.db2.gz BIKZZDIEDLBDNJ-UHFFFAOYSA-N -1 1 390.448 2.455 20 0 GEADMM COc1ccc(C[C@@H](C)CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826191897 609468862 /nfs/dbraw/zinc/46/88/62/609468862.db2.gz SWQUCJOPTROXOD-GFCCVEGCSA-N -1 1 384.440 2.051 20 0 GEADMM COc1ccc(C[C@@H](C)CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826191897 609468865 /nfs/dbraw/zinc/46/88/65/609468865.db2.gz SWQUCJOPTROXOD-GFCCVEGCSA-N -1 1 384.440 2.051 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1-c1nnn[n-]1 ZINC000826346342 609470723 /nfs/dbraw/zinc/47/07/23/609470723.db2.gz KECIBEVVPXHCFI-GFCCVEGCSA-N -1 1 388.815 2.389 20 0 GEADMM Cc1onc(CC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1-c1nn[n-]n1 ZINC000826346342 609470724 /nfs/dbraw/zinc/47/07/24/609470724.db2.gz KECIBEVVPXHCFI-GFCCVEGCSA-N -1 1 388.815 2.389 20 0 GEADMM Cc1onc(CC(=O)Nc2ccc(F)cc2OCC(F)F)c1-c1nnn[n-]1 ZINC000826348398 609470815 /nfs/dbraw/zinc/47/08/15/609470815.db2.gz KFRVVFBIFAIZFE-UHFFFAOYSA-N -1 1 382.302 2.127 20 0 GEADMM Cc1onc(CC(=O)Nc2ccc(F)cc2OCC(F)F)c1-c1nn[n-]n1 ZINC000826348398 609470816 /nfs/dbraw/zinc/47/08/16/609470816.db2.gz KFRVVFBIFAIZFE-UHFFFAOYSA-N -1 1 382.302 2.127 20 0 GEADMM Cc1nn(CCCc2ccccc2Br)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334918 609487230 /nfs/dbraw/zinc/48/72/30/609487230.db2.gz PGQJFEQJBSLXRY-UHFFFAOYSA-N -1 1 389.257 2.436 20 0 GEADMM O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000826437302 609516467 /nfs/dbraw/zinc/51/64/67/609516467.db2.gz FXQFECPVJVYBPW-UHFFFAOYSA-N -1 1 399.411 2.480 20 0 GEADMM O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000826437302 609516470 /nfs/dbraw/zinc/51/64/70/609516470.db2.gz FXQFECPVJVYBPW-UHFFFAOYSA-N -1 1 399.411 2.480 20 0 GEADMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826208821 609530693 /nfs/dbraw/zinc/53/06/93/609530693.db2.gz BFLQDPSYXOKNPZ-UHFFFAOYSA-N -1 1 383.792 2.469 20 0 GEADMM CS[C@@H](CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC000826226196 609555002 /nfs/dbraw/zinc/55/50/02/609555002.db2.gz UMKKSFHPSBUQQL-ZDUSSCGKSA-N -1 1 392.529 2.411 20 0 GEADMM CCC1(CC)CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000447180052 650000998 /nfs/dbraw/zinc/00/09/98/650000998.db2.gz DFBDEYJUKVPRBR-UHFFFAOYSA-N -1 1 378.491 2.398 20 0 GEADMM CC(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cc1 ZINC000447501295 650006995 /nfs/dbraw/zinc/00/69/95/650006995.db2.gz OHVMIMPNULMKJK-UHFFFAOYSA-N -1 1 385.511 2.258 20 0 GEADMM CC(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cc1 ZINC000447501295 650006998 /nfs/dbraw/zinc/00/69/98/650006998.db2.gz OHVMIMPNULMKJK-UHFFFAOYSA-N -1 1 385.511 2.258 20 0 GEADMM CCC[C@@H](CC(C)C)C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000450310221 650063820 /nfs/dbraw/zinc/06/38/20/650063820.db2.gz CWRXLZYLDTXHKX-LBPRGKRZSA-N -1 1 377.532 2.014 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2ccccn2)c(F)c1 ZINC000451000290 650078849 /nfs/dbraw/zinc/07/88/49/650078849.db2.gz NEVKZZVPJQHQKU-UHFFFAOYSA-N -1 1 387.458 2.198 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl ZINC000451026371 650080962 /nfs/dbraw/zinc/08/09/62/650080962.db2.gz NGMUKEJWRLOBQO-SECBINFHSA-N -1 1 379.912 2.268 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(F)F ZINC000451090559 650085163 /nfs/dbraw/zinc/08/51/63/650085163.db2.gz ZZZBNWYPKUBJOW-JTQLQIEISA-N -1 1 384.832 2.372 20 0 GEADMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCCC1 ZINC000451532638 650123815 /nfs/dbraw/zinc/12/38/15/650123815.db2.gz KZXLIMAAZWMDLT-UHFFFAOYSA-N -1 1 375.443 2.208 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CCCCN1CCO)c1c(Cl)cc(F)cc1Cl ZINC000451673803 650132073 /nfs/dbraw/zinc/13/20/73/650132073.db2.gz WZHQQOFFYFKNGC-NSHDSACASA-N -1 1 385.288 2.258 20 0 GEADMM CC[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000451748833 650138813 /nfs/dbraw/zinc/13/88/13/650138813.db2.gz NUJPHORFXCBFID-RYUDHWBXSA-N -1 1 378.491 2.302 20 0 GEADMM CO[C@](C)(C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000451805825 650143974 /nfs/dbraw/zinc/14/39/74/650143974.db2.gz DOSMGPKNLIDPLJ-CQSZACIVSA-N -1 1 377.388 2.279 20 0 GEADMM CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000452891545 650200556 /nfs/dbraw/zinc/20/05/56/650200556.db2.gz VOAVHFDWBBAYRY-ZWNOBZJWSA-N -1 1 395.308 2.155 20 0 GEADMM CC[C@H](C)N(CC(=O)OC)C(=O)c1cc(I)ccc1[O-] ZINC000456072054 650329575 /nfs/dbraw/zinc/32/95/75/650329575.db2.gz SCYGZUDTCYDUHV-VIFPVBQESA-N -1 1 391.205 2.411 20 0 GEADMM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000456180908 650332900 /nfs/dbraw/zinc/33/29/00/650332900.db2.gz BMZCIZDPRZWILI-LLVKDONJSA-N -1 1 376.272 2.194 20 0 GEADMM COc1ccc(C[C@H](CO)CNC(=O)c2ncccc2[O-])cc1Br ZINC000456506895 650344776 /nfs/dbraw/zinc/34/47/76/650344776.db2.gz WCQWSEHMQPAAMP-LBPRGKRZSA-N -1 1 395.253 2.139 20 0 GEADMM C[C@@H](O)CN(CC(F)F)C(=O)c1ccc(I)c([O-])c1 ZINC000456603981 650351656 /nfs/dbraw/zinc/35/16/56/650351656.db2.gz YWZWBIAVXUYMKD-SSDOTTSWSA-N -1 1 385.148 2.085 20 0 GEADMM CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456794494 650363161 /nfs/dbraw/zinc/36/31/61/650363161.db2.gz QRHZAFPGBCGCIF-UHFFFAOYSA-N -1 1 376.425 2.451 20 0 GEADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000460414889 650442337 /nfs/dbraw/zinc/44/23/37/650442337.db2.gz YMHMUKYBGXTJML-UHFFFAOYSA-N -1 1 394.254 2.440 20 0 GEADMM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000460482415 650442856 /nfs/dbraw/zinc/44/28/56/650442856.db2.gz DTGCHOWTLJSJBD-GFCCVEGCSA-N -1 1 390.672 2.239 20 0 GEADMM Cc1ncc(CS(=O)(=O)c2nnc(COc3ccc(Cl)cc3)[n-]2)cn1 ZINC000506925684 650451808 /nfs/dbraw/zinc/45/18/08/650451808.db2.gz JILMITLEVZATAI-UHFFFAOYSA-N -1 1 379.829 2.109 20 0 GEADMM Cc1ncc(CS(=O)(=O)c2n[n-]c(COc3ccc(Cl)cc3)n2)cn1 ZINC000506925684 650451811 /nfs/dbraw/zinc/45/18/11/650451811.db2.gz JILMITLEVZATAI-UHFFFAOYSA-N -1 1 379.829 2.109 20 0 GEADMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2csc(Cc3ccccc3)n2)n1 ZINC000506961134 650452398 /nfs/dbraw/zinc/45/23/98/650452398.db2.gz JBHWUFKWWSPNPX-UHFFFAOYSA-N -1 1 377.447 2.218 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ncsc2C(F)(F)F)c1 ZINC000461455053 650454383 /nfs/dbraw/zinc/45/43/83/650454383.db2.gz BJMDZFZDQBWZTO-UHFFFAOYSA-N -1 1 381.357 2.028 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000461463283 650454580 /nfs/dbraw/zinc/45/45/80/650454580.db2.gz LZUWXCUOVPLGQH-UHFFFAOYSA-N -1 1 379.419 2.269 20 0 GEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CSCc2cccc(C)c2)c1 ZINC000461463710 650454607 /nfs/dbraw/zinc/45/46/07/650454607.db2.gz LSDYTQHFYGCTMO-UHFFFAOYSA-N -1 1 380.491 2.481 20 0 GEADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccc1F ZINC000507579771 650463551 /nfs/dbraw/zinc/46/35/51/650463551.db2.gz MRBCISCWQYZCDE-UHFFFAOYSA-N -1 1 392.861 2.496 20 0 GEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 ZINC000507580537 650463764 /nfs/dbraw/zinc/46/37/64/650463764.db2.gz CSUVQCOLKOYGMF-UHFFFAOYSA-N -1 1 386.470 2.439 20 0 GEADMM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508074768 650473645 /nfs/dbraw/zinc/47/36/45/650473645.db2.gz SMKCEGBASYWERE-UHFFFAOYSA-N -1 1 396.481 2.183 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C)Cn1ccnc1 ZINC000508836692 650483668 /nfs/dbraw/zinc/48/36/68/650483668.db2.gz AOMJTZNWVKBCRM-SECBINFHSA-N -1 1 392.264 2.344 20 0 GEADMM CO[C@H](C)c1nc(=NC[C@@H](O)COc2ccccc2Br)s[n-]1 ZINC000509563748 650496098 /nfs/dbraw/zinc/49/60/98/650496098.db2.gz KQLANSRISJARDU-NXEZZACHSA-N -1 1 388.287 2.282 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cc(C)nn1C ZINC000509747320 650499881 /nfs/dbraw/zinc/49/98/81/650499881.db2.gz PYGOXUCXHUMKIB-UHFFFAOYSA-N -1 1 392.264 2.300 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cccnn1 ZINC000509786367 650500880 /nfs/dbraw/zinc/50/08/80/650500880.db2.gz LADKIIHPWOWRED-UHFFFAOYSA-N -1 1 376.221 2.049 20 0 GEADMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Br)c1 ZINC000509905145 650502886 /nfs/dbraw/zinc/50/28/86/650502886.db2.gz NMLHSTYDNDYXNJ-SNVBAGLBSA-N -1 1 378.226 2.157 20 0 GEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1(S(C)(=O)=O)CC1 ZINC000510531968 650513310 /nfs/dbraw/zinc/51/33/10/650513310.db2.gz DGOIHNWTQYDTBG-ZCFIWIBFSA-N -1 1 378.324 2.299 20 0 GEADMM COC(=O)C[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOC1 ZINC000473955797 650525676 /nfs/dbraw/zinc/52/56/76/650525676.db2.gz JHLYGZHVGCOGKL-CYBMUJFWSA-N -1 1 386.228 2.133 20 0 GEADMM Cn1ncc2c1[n-]cc(C(=O)NCCNc1cccc(Br)c1)c2=O ZINC000512003628 650543815 /nfs/dbraw/zinc/54/38/15/650543815.db2.gz WCUYGJPNDZEXCQ-UHFFFAOYSA-N -1 1 390.241 2.278 20 0 GEADMM COc1c(Br)ccc(C)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000514856522 650580761 /nfs/dbraw/zinc/58/07/61/650580761.db2.gz LVLJTTAPYQBEHB-JTQLQIEISA-N -1 1 380.246 2.299 20 0 GEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000479543053 650606204 /nfs/dbraw/zinc/60/62/04/650606204.db2.gz NAQSGPYLUDRQOZ-UHFFFAOYSA-N -1 1 377.390 2.178 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c(F)c1 ZINC000520202267 650613405 /nfs/dbraw/zinc/61/34/05/650613405.db2.gz XWIUTMCTDITENN-GXTWGEPZSA-N -1 1 390.502 2.302 20 0 GEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)s1 ZINC000480197096 650617612 /nfs/dbraw/zinc/61/76/12/650617612.db2.gz FZFPMPQDZGCRTN-UHFFFAOYSA-N -1 1 393.240 2.199 20 0 GEADMM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)s1 ZINC000480425198 650621653 /nfs/dbraw/zinc/62/16/53/650621653.db2.gz IKJAVECWEMQZSD-UHFFFAOYSA-N -1 1 399.437 2.438 20 0 GEADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000524388392 650640901 /nfs/dbraw/zinc/64/09/01/650640901.db2.gz UXZQCJIASHSSMD-UHFFFAOYSA-N -1 1 389.476 2.267 20 0 GEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1F ZINC000524851991 650647370 /nfs/dbraw/zinc/64/73/70/650647370.db2.gz DGXYVAMWCPGGEL-UHFFFAOYSA-N -1 1 375.761 2.449 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(=O)n(C)c1 ZINC000481606666 650650657 /nfs/dbraw/zinc/65/06/57/650650657.db2.gz IZTNQABHJWJDNP-UHFFFAOYSA-N -1 1 375.219 2.396 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC000525189184 650651483 /nfs/dbraw/zinc/65/14/83/650651483.db2.gz HZZJNVXNXUPPAR-UHFFFAOYSA-N -1 1 384.454 2.412 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000525696623 650656374 /nfs/dbraw/zinc/65/63/74/650656374.db2.gz XGFNRPBYWGEECJ-YNEHKIRRSA-N -1 1 390.502 2.444 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ncccc2Cl)c(F)c1 ZINC000481962768 650656667 /nfs/dbraw/zinc/65/66/67/650656667.db2.gz QLQPIIIYGMHLNV-UHFFFAOYSA-N -1 1 379.822 2.046 20 0 GEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000482256203 650663313 /nfs/dbraw/zinc/66/33/13/650663313.db2.gz LPPQQXBQNCXXIP-VXGBXAGGSA-N -1 1 386.242 2.337 20 0 GEADMM CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000482392476 650664789 /nfs/dbraw/zinc/66/47/89/650664789.db2.gz UWCAOZFSFIBXDS-UHFFFAOYSA-N -1 1 396.632 2.106 20 0 GEADMM NC(=O)CCCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000527066837 650667538 /nfs/dbraw/zinc/66/75/38/650667538.db2.gz UQQCXSQULFBGTG-UHFFFAOYSA-N -1 1 387.658 2.176 20 0 GEADMM COCCOCCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000485468281 650696743 /nfs/dbraw/zinc/69/67/43/650696743.db2.gz UBCNJDGXITWQIN-UHFFFAOYSA-N -1 1 383.242 2.486 20 0 GEADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000485846899 650701343 /nfs/dbraw/zinc/70/13/43/650701343.db2.gz HMODNXBDXRABFB-UHFFFAOYSA-N -1 1 390.870 2.058 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC1 ZINC000486011664 650705159 /nfs/dbraw/zinc/70/51/59/650705159.db2.gz ZYUZXWCRASMFLV-LBPRGKRZSA-N -1 1 396.690 2.474 20 0 GEADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1 ZINC000486550889 650715137 /nfs/dbraw/zinc/71/51/37/650715137.db2.gz RWZITTCPIVQICZ-UHFFFAOYSA-N -1 1 383.426 2.047 20 0 GEADMM O=S(=O)(CC1CC1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000531356661 650737235 /nfs/dbraw/zinc/73/72/35/650737235.db2.gz RMTUJUMKQXKYFY-UHFFFAOYSA-N -1 1 380.491 2.317 20 0 GEADMM CC(C)[C@](C)(NC(=O)c1c([O-])cnc2c(Br)cccc21)C(N)=O ZINC000487736630 650737265 /nfs/dbraw/zinc/73/72/65/650737265.db2.gz YRUVICZCNCQHGS-INIZCTEOSA-N -1 1 380.242 2.333 20 0 GEADMM O=C(COC(=O)COc1cccc(Br)c1)[N-]C(=O)c1ccccc1 ZINC000006429278 642331343 /nfs/dbraw/zinc/33/13/43/642331343.db2.gz FTDYRTXZHGPFCB-UHFFFAOYSA-N -1 1 392.205 2.328 20 0 GEADMM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000531652966 650741794 /nfs/dbraw/zinc/74/17/94/650741794.db2.gz HCFMCIQYHYABFV-UHFFFAOYSA-N -1 1 379.459 2.142 20 0 GEADMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000011438198 642368506 /nfs/dbraw/zinc/36/85/06/642368506.db2.gz UPHQNSZKQNQDSQ-UHFFFAOYSA-N -1 1 381.479 2.269 20 0 GEADMM O=C(NNC(=O)c1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000011639475 642370271 /nfs/dbraw/zinc/37/02/71/642370271.db2.gz LQYXZBBOKMUJAX-UHFFFAOYSA-N -1 1 380.154 2.138 20 0 GEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000024103225 642416165 /nfs/dbraw/zinc/41/61/65/642416165.db2.gz HVOMSLFNVOAPOJ-UHFFFAOYSA-N -1 1 385.423 2.076 20 0 GEADMM O=[S@]1CC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)C1 ZINC000532907026 650754639 /nfs/dbraw/zinc/75/46/39/650754639.db2.gz XQSGJXJCTFXUKT-BUBHHJDNSA-N -1 1 387.433 2.094 20 0 GEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000533088733 650756733 /nfs/dbraw/zinc/75/67/33/650756733.db2.gz XXAVNWZXPNXWQI-UHFFFAOYSA-N -1 1 378.237 2.372 20 0 GEADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000032591869 642496712 /nfs/dbraw/zinc/49/67/12/642496712.db2.gz VVZPLHBASFHVOU-UHFFFAOYSA-N -1 1 380.760 2.045 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)o1 ZINC000033001160 642500820 /nfs/dbraw/zinc/50/08/20/642500820.db2.gz YLGKBTHMVRBPJR-UHFFFAOYSA-N -1 1 378.328 2.381 20 0 GEADMM CC[C@H](C)N(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)[O-] ZINC000037599347 642514455 /nfs/dbraw/zinc/51/44/55/642514455.db2.gz SIUFMSMDZRTIBY-NSHDSACASA-N -1 1 378.288 2.408 20 0 GEADMM O=S(=O)([N-]CCc1ccccn1)c1cc(Br)cnc1Cl ZINC000041066221 642524786 /nfs/dbraw/zinc/52/47/86/642524786.db2.gz LONSGDGQPWZLLF-UHFFFAOYSA-N -1 1 376.663 2.414 20 0 GEADMM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NN1CC(=O)[N-]C1=O ZINC000041823383 642533395 /nfs/dbraw/zinc/53/33/95/642533395.db2.gz QUBMUHQUQOISDW-UHFFFAOYSA-N -1 1 383.191 2.164 20 0 GEADMM CCc1ccc(NC(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC000042776021 642556932 /nfs/dbraw/zinc/55/69/32/642556932.db2.gz OUFDCUILZBOIJZ-UHFFFAOYSA-N -1 1 382.463 2.478 20 0 GEADMM COCCOCCS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccs1 ZINC000533622100 650763793 /nfs/dbraw/zinc/76/37/93/650763793.db2.gz JFOFOTCHGVGDTD-UHFFFAOYSA-N -1 1 384.479 2.405 20 0 GEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000045800127 642597402 /nfs/dbraw/zinc/59/74/02/642597402.db2.gz JUISKTPDELSYOL-UHFFFAOYSA-N -1 1 380.491 2.491 20 0 GEADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CC)CC2)c(OC)c1 ZINC000534165360 650769609 /nfs/dbraw/zinc/76/96/09/650769609.db2.gz OPOSMLFPRXBKJZ-UHFFFAOYSA-N -1 1 390.527 2.315 20 0 GEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)c(Cl)c1 ZINC000534207933 650771074 /nfs/dbraw/zinc/77/10/74/650771074.db2.gz 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CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C3CC3)CC2)c(OC)c1 ZINC000535614695 650789154 /nfs/dbraw/zinc/78/91/54/650789154.db2.gz KJCCTSVDUMDYJK-UHFFFAOYSA-N -1 1 388.511 2.068 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]CCc2ccc(F)c(Br)c2)c1Cl ZINC000056127766 642792339 /nfs/dbraw/zinc/79/23/39/642792339.db2.gz WFWBCXNNXUCTDW-UHFFFAOYSA-N -1 1 396.669 2.496 20 0 GEADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000535620905 650789425 /nfs/dbraw/zinc/78/94/25/650789425.db2.gz OBOFMXKUEPODPA-QMMMGPOBSA-N -1 1 390.177 2.063 20 0 GEADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000057123671 642805854 /nfs/dbraw/zinc/80/58/54/642805854.db2.gz KTCWMQNPQCAOOR-GFCCVEGCSA-N -1 1 384.479 2.312 20 0 GEADMM CC(C)CN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2Cl)C(=O)[N-]C1=S ZINC000060862534 642839130 /nfs/dbraw/zinc/83/91/30/642839130.db2.gz RKZJHCVIMTWMFV-POHAHGRESA-N -1 1 382.829 2.443 20 0 GEADMM CC(C)CN(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)[O-] ZINC000062743186 642850392 /nfs/dbraw/zinc/85/03/92/642850392.db2.gz SMLWCJXRXXLQPV-UHFFFAOYSA-N -1 1 378.288 2.265 20 0 GEADMM O=C([N-]c1nnc(C(F)F)s1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000064935725 642877132 /nfs/dbraw/zinc/87/71/32/642877132.db2.gz ZMMGGABWHPBNLZ-UHFFFAOYSA-N -1 1 388.299 2.417 20 0 GEADMM O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1[O-] ZINC000066047037 642895279 /nfs/dbraw/zinc/89/52/79/642895279.db2.gz AFIPHIYAGPLLNN-GFCCVEGCSA-N -1 1 377.242 2.344 20 0 GEADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000066588365 642925624 /nfs/dbraw/zinc/92/56/24/642925624.db2.gz WROOFSSWGZQBPT-UHFFFAOYSA-N -1 1 391.417 2.486 20 0 GEADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000066585739 642925717 /nfs/dbraw/zinc/92/57/17/642925717.db2.gz FSBCKGKEBQPACY-UHFFFAOYSA-N -1 1 376.825 2.425 20 0 GEADMM CCn1c(CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)n[n-]c1=S ZINC000066636175 642929215 /nfs/dbraw/zinc/92/92/15/642929215.db2.gz LGAYJXPHDLCTHB-SNVBAGLBSA-N -1 1 389.547 2.223 20 0 GEADMM CCn1c(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)n[n-]c1=S ZINC000066636417 642929329 /nfs/dbraw/zinc/92/93/29/642929329.db2.gz GGJHDGWFKSCXNC-HNNXBMFYSA-N -1 1 377.539 2.367 20 0 GEADMM Cc1noc(CCC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)n1 ZINC000066935129 642952264 /nfs/dbraw/zinc/95/22/64/642952264.db2.gz XQABXCFWWMFMLR-UHFFFAOYSA-N -1 1 395.666 2.100 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)sc1Br ZINC000536336911 650800311 /nfs/dbraw/zinc/80/03/11/650800311.db2.gz QGULXJZIONYZIJ-MRVPVSSYSA-N -1 1 382.223 2.411 20 0 GEADMM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070594 642961956 /nfs/dbraw/zinc/96/19/56/642961956.db2.gz HPUMILJWBARJEL-VIFPVBQESA-N -1 1 379.873 2.364 20 0 GEADMM CC(=O)NCc1ccc(C(=O)[N-]NC(=O)CSc2ccc(C)cc2)s1 ZINC000067129119 642965537 /nfs/dbraw/zinc/96/55/37/642965537.db2.gz CHKTXPNEXUQYIA-UHFFFAOYSA-N -1 1 377.491 2.246 20 0 GEADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000536740055 650806802 /nfs/dbraw/zinc/80/68/02/650806802.db2.gz XMWVZVBOYLFJFS-UHFFFAOYSA-N -1 1 384.841 2.489 20 0 GEADMM O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1ccc(Br)cc1[O-] ZINC000094075548 643086251 /nfs/dbraw/zinc/08/62/51/643086251.db2.gz XOEKJASDKOQCGH-GFCCVEGCSA-N -1 1 385.283 2.196 20 0 GEADMM C[C@@]1(C(=O)[O-])CCCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000096686551 643090789 /nfs/dbraw/zinc/09/07/89/643090789.db2.gz CBTKFQNNJORYPH-AWEZNQCLSA-N -1 1 376.272 2.162 20 0 GEADMM O=C(NCCCO)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000097075341 643094445 /nfs/dbraw/zinc/09/44/45/643094445.db2.gz XLANIGCGFVZCBK-UHFFFAOYSA-N -1 1 386.832 2.392 20 0 GEADMM C[C@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000098078222 643101980 /nfs/dbraw/zinc/10/19/80/643101980.db2.gz JVJJLKYZVPMIFR-JTQLQIEISA-N -1 1 386.832 2.391 20 0 GEADMM C[C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000102932748 643146758 /nfs/dbraw/zinc/14/67/58/643146758.db2.gz DZAGPZCTLSCLKG-NEPJUHHUSA-N -1 1 378.491 2.302 20 0 GEADMM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c(C)o1 ZINC000102932777 643147316 /nfs/dbraw/zinc/14/73/16/643147316.db2.gz PNKSRRMBESOMPJ-SNVBAGLBSA-N -1 1 390.458 2.447 20 0 GEADMM O=C1CCC(=O)N1CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000106230784 643226203 /nfs/dbraw/zinc/22/62/03/643226203.db2.gz GTUMJYNWPHTMKN-UHFFFAOYSA-N -1 1 399.683 2.464 20 0 GEADMM Cc1nc(CCC(=O)Nc2nnn[n-]2)oc1-c1ccc(Br)cc1 ZINC000106907718 643245091 /nfs/dbraw/zinc/24/50/91/643245091.db2.gz UOYBEUDILYEQKZ-UHFFFAOYSA-N -1 1 377.202 2.497 20 0 GEADMM Cc1nc(CCC(=O)Nc2nn[n-]n2)oc1-c1ccc(Br)cc1 ZINC000106907718 643245094 /nfs/dbraw/zinc/24/50/94/643245094.db2.gz UOYBEUDILYEQKZ-UHFFFAOYSA-N -1 1 377.202 2.497 20 0 GEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc([S@@](C)=O)c3)ccc21 ZINC000110095093 643306131 /nfs/dbraw/zinc/30/61/31/643306131.db2.gz YYXRGJRXBOLZBD-DEOSSOPVSA-N -1 1 378.475 2.134 20 0 GEADMM CC(C)OC(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000112707419 643370193 /nfs/dbraw/zinc/37/01/93/643370193.db2.gz LYECDCFUKGEBBA-UHFFFAOYSA-N -1 1 380.388 2.392 20 0 GEADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000112850671 643375283 /nfs/dbraw/zinc/37/52/83/643375283.db2.gz PNGSMGTUXAZPED-UHFFFAOYSA-N -1 1 384.454 2.411 20 0 GEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1 ZINC000115312855 643434164 /nfs/dbraw/zinc/43/41/64/643434164.db2.gz SVWIITPUVJSNQJ-XMMPIXPASA-N -1 1 380.491 2.068 20 0 GEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@]1(O)CCSC1 ZINC000497930666 650841936 /nfs/dbraw/zinc/84/19/36/650841936.db2.gz SUCGRHIFRDKAII-KRWDZBQOSA-N -1 1 378.475 2.294 20 0 GEADMM CS(=O)(=O)Cc1noc([N-]C(=O)c2csc(-c3ccccc3F)n2)n1 ZINC000118747633 643521233 /nfs/dbraw/zinc/52/12/33/643521233.db2.gz NLJYYNYVXNGWEC-UHFFFAOYSA-N -1 1 382.398 2.129 20 0 GEADMM NC(=O)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)Cc1ccc(F)cc1 ZINC000119069300 643532959 /nfs/dbraw/zinc/53/29/59/643532959.db2.gz DEYFPCSWRLSGPJ-LBPRGKRZSA-N -1 1 395.228 2.368 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Br)cc(OC)c2)co1 ZINC000498313904 650853880 /nfs/dbraw/zinc/85/38/80/650853880.db2.gz MYPGXSJTSGNYJA-UHFFFAOYSA-N -1 1 389.227 2.211 20 0 GEADMM Cc1cccn2c(=O)c(C(=O)Nc3nc(Br)ccc3[O-])cnc12 ZINC000121546041 643635173 /nfs/dbraw/zinc/63/51/73/643635173.db2.gz QLMRIOTVAVPULY-UHFFFAOYSA-N -1 1 375.182 2.118 20 0 GEADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)c1noc(Cc2ccccc2)n1 ZINC000124534257 643687982 /nfs/dbraw/zinc/68/79/82/643687982.db2.gz AWYXWEKTMOMQMR-JTQLQIEISA-N -1 1 381.845 2.087 20 0 GEADMM NC(=O)c1csc(NC(=O)CCn2c(-c3cccs3)n[n-]c2=S)n1 ZINC000125809575 643711606 /nfs/dbraw/zinc/71/16/06/643711606.db2.gz HRLUWMKOUAIXAO-UHFFFAOYSA-N -1 1 380.480 2.253 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c(Br)cccc3C2)o1 ZINC000128657195 643808683 /nfs/dbraw/zinc/80/86/83/643808683.db2.gz UJPOUAXWFUDWBX-UHFFFAOYSA-N -1 1 399.266 2.149 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-]C2CC=CC2)c(F)cc1Br ZINC000132122956 643880570 /nfs/dbraw/zinc/88/05/70/643880570.db2.gz VWEUKZZBBRFDJQ-UHFFFAOYSA-N -1 1 378.219 2.372 20 0 GEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000132629776 643883179 /nfs/dbraw/zinc/88/31/79/643883179.db2.gz KOUGASMMNZPLTC-LLVKDONJSA-N -1 1 379.910 2.417 20 0 GEADMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000152483614 643969221 /nfs/dbraw/zinc/96/92/21/643969221.db2.gz UFDVAWSYMGZGGZ-UHFFFAOYSA-N -1 1 391.178 2.197 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)co1 ZINC000153838354 644007556 /nfs/dbraw/zinc/00/75/56/644007556.db2.gz HXEYIKKABBNZPV-UHFFFAOYSA-N -1 1 381.841 2.295 20 0 GEADMM O=C(CCS(=O)(=O)c1n[n-]c(C2CC2)n1)Nc1cccc(Br)c1 ZINC000154252769 644028630 /nfs/dbraw/zinc/02/86/30/644028630.db2.gz BIRDRZWULDPSBQ-UHFFFAOYSA-N -1 1 399.270 2.247 20 0 GEADMM CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC000155803819 644081829 /nfs/dbraw/zinc/08/18/29/644081829.db2.gz HMMRCLCLCNVLNU-UHFFFAOYSA-N -1 1 398.363 2.247 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c[nH]c1=O ZINC000158336878 644142944 /nfs/dbraw/zinc/14/29/44/644142944.db2.gz VJXRURBLOABDJW-UHFFFAOYSA-N -1 1 388.199 2.155 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(Br)ccc2F)co1 ZINC000162960000 644242667 /nfs/dbraw/zinc/24/26/67/644242667.db2.gz FAHNUEHMPKZSHT-UHFFFAOYSA-N -1 1 391.218 2.019 20 0 GEADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)N1CCc2ccccc21 ZINC000171108601 644310243 /nfs/dbraw/zinc/31/02/43/644310243.db2.gz BAAJMAIIRKOUIQ-UHFFFAOYSA-N -1 1 386.260 2.256 20 0 GEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000176720582 644404843 /nfs/dbraw/zinc/40/48/43/644404843.db2.gz WMTSPFYYRCUOBJ-UHFFFAOYSA-N -1 1 391.222 2.001 20 0 GEADMM COc1ccc(C(=O)[N-]NC(=O)CNc2ccc(C)cc2)nc1Br ZINC000180325219 644500761 /nfs/dbraw/zinc/50/07/61/644500761.db2.gz SQNUZHMCXMICSV-UHFFFAOYSA-N -1 1 393.241 2.034 20 0 GEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(Cl)cc1Cl ZINC000544103022 650933777 /nfs/dbraw/zinc/93/37/77/650933777.db2.gz IDVGMIRQSZGNQK-RNCFNFMXSA-N -1 1 382.265 2.163 20 0 GEADMM COc1cc(C(=O)[N-]c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)on1 ZINC000544361010 650939811 /nfs/dbraw/zinc/93/98/11/650939811.db2.gz YMJUNAREVVACQC-UHFFFAOYSA-N -1 1 379.419 2.463 20 0 GEADMM C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000544828928 650954797 /nfs/dbraw/zinc/95/47/97/650954797.db2.gz DOLRSFOVTKSNQF-MWLCHTKSSA-N -1 1 375.206 2.230 20 0 GEADMM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000544832598 650955250 /nfs/dbraw/zinc/95/52/50/650955250.db2.gz IDHBKGLJBCUZOD-VIFPVBQESA-N -1 1 391.205 2.409 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CN1c1ccc(F)cc1 ZINC000545123526 650961956 /nfs/dbraw/zinc/96/19/56/650961956.db2.gz CLIXXVZSBNDGTG-HNNXBMFYSA-N -1 1 386.807 2.453 20 0 GEADMM C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000183189078 644985963 /nfs/dbraw/zinc/98/59/63/644985963.db2.gz OPPJQTNFZGRKCF-FWCARGHBSA-N -1 1 392.699 2.287 20 0 GEADMM O=C(NNC(=O)c1cc(Cl)ccc1[O-])Nc1ccn(CC(F)(F)F)n1 ZINC000183315290 644990731 /nfs/dbraw/zinc/99/07/31/644990731.db2.gz OJZYOKWMEFATSF-UHFFFAOYSA-N -1 1 377.710 2.271 20 0 GEADMM O=C([N-]NC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1cc(F)ccc1Br ZINC000185355067 645043182 /nfs/dbraw/zinc/04/31/82/645043182.db2.gz UYVHYLDJETUGHW-UHFFFAOYSA-N -1 1 394.200 2.229 20 0 GEADMM Cc1ccc(S(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000186356064 645064730 /nfs/dbraw/zinc/06/47/30/645064730.db2.gz XAHOXEULGGZMFS-GFCCVEGCSA-N -1 1 389.445 2.414 20 0 GEADMM O=C(Nc1ccnc2ccnn21)c1ccc(I)c([O-])c1 ZINC000545485063 650976783 /nfs/dbraw/zinc/97/67/83/650976783.db2.gz CZTGQOCTQNYDCG-UHFFFAOYSA-N -1 1 380.145 2.292 20 0 GEADMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000188105193 645107750 /nfs/dbraw/zinc/10/77/50/645107750.db2.gz DJTANHLDKGRCOP-QMMMGPOBSA-N -1 1 384.260 2.215 20 0 GEADMM N#Cc1ccc(C(=O)NNC(=O)c2cc(F)ccc2Br)cc1[O-] ZINC000188253561 645110971 /nfs/dbraw/zinc/11/09/71/645110971.db2.gz BCINVCLZZJRFHY-UHFFFAOYSA-N -1 1 378.157 2.240 20 0 GEADMM CCc1nncn1CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000545806743 650981198 /nfs/dbraw/zinc/98/11/98/650981198.db2.gz XWQGRLGKIICNOV-UHFFFAOYSA-N -1 1 399.723 2.296 20 0 GEADMM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000189981371 645146400 /nfs/dbraw/zinc/14/64/00/645146400.db2.gz PQAQSKMSKMNSHC-UHFFFAOYSA-N -1 1 378.186 2.499 20 0 GEADMM COc1cccc(NCC(=O)N[N-]C(=O)c2cccc(Br)c2F)c1 ZINC000192330443 645199981 /nfs/dbraw/zinc/19/99/81/645199981.db2.gz XNRWMLVHVLGUKD-UHFFFAOYSA-N -1 1 396.216 2.470 20 0 GEADMM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000546070715 650990265 /nfs/dbraw/zinc/99/02/65/650990265.db2.gz GWANIVZBSJYRQV-GHMZBOCLSA-N -1 1 393.303 2.404 20 0 GEADMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546148056 650993073 /nfs/dbraw/zinc/99/30/73/650993073.db2.gz PJMSAUDWHLXIIN-QMMMGPOBSA-N -1 1 378.219 2.484 20 0 GEADMM CN(C)Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000194591943 645336633 /nfs/dbraw/zinc/33/66/33/645336633.db2.gz 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GEADMM O=S(=O)(CC[C@H]1CCCO1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000867705028 653974904 /nfs/dbraw/zinc/97/49/04/653974904.db2.gz YSHZCAQRUCURCY-OAHLLOKOSA-N -1 1 388.917 2.062 20 0 GEADMM Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000867704470 653974995 /nfs/dbraw/zinc/97/49/95/653974995.db2.gz MHLFSDDGMVVFKA-UHFFFAOYSA-N -1 1 381.885 2.134 20 0 GEADMM Cn1[n-]c(COC(=O)Cc2csc3ccc(Br)cc23)nc1=O ZINC000795887721 653975093 /nfs/dbraw/zinc/97/50/93/653975093.db2.gz TYRAKQFXFXQASL-UHFFFAOYSA-N -1 1 382.239 2.372 20 0 GEADMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795926354 653977929 /nfs/dbraw/zinc/97/79/29/653977929.db2.gz PSNGSJGDTJXSSW-DTWKUNHWSA-N -1 1 395.836 2.132 20 0 GEADMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1F ZINC000867732910 653978286 /nfs/dbraw/zinc/97/82/86/653978286.db2.gz ICKXZFDNEOZCDZ-ZRAONMGGSA-N -1 1 390.502 2.322 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c(Br)n1C ZINC000848467977 653979382 /nfs/dbraw/zinc/97/93/82/653979382.db2.gz YIHJWRXCPGFOLW-VXGBXAGGSA-N -1 1 392.319 2.117 20 0 GEADMM C[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1)C(C)(C)C ZINC000848959979 654001249 /nfs/dbraw/zinc/00/12/49/654001249.db2.gz XEQAZHZGDBHRPF-LBPRGKRZSA-N -1 1 395.522 2.049 20 0 GEADMM CC(C)[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848962676 654001911 /nfs/dbraw/zinc/00/19/11/654001911.db2.gz NZKRWAOOVMNDFQ-GFCCVEGCSA-N -1 1 397.950 2.173 20 0 GEADMM O=C([N-]CC1CN(S(=O)(=O)c2csc3ccccc32)C1)C(F)(F)F ZINC000867902913 654005598 /nfs/dbraw/zinc/00/55/98/654005598.db2.gz VAUSVGWSYSLQCG-UHFFFAOYSA-N -1 1 378.397 2.200 20 0 GEADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCCn2nncc2C1 ZINC000899334911 654010662 /nfs/dbraw/zinc/01/06/62/654010662.db2.gz JAWZAWNVBNXYBB-UHFFFAOYSA-N -1 1 388.225 2.341 20 0 GEADMM CCCCC[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OC ZINC000849381010 654019019 /nfs/dbraw/zinc/01/90/19/654019019.db2.gz JAASJTBTQVDCNC-NSHDSACASA-N -1 1 379.276 2.244 20 0 GEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)co1 ZINC000899541719 654020929 /nfs/dbraw/zinc/02/09/29/654020929.db2.gz DWGNVTOLTVDOQR-GFCCVEGCSA-N -1 1 383.495 2.048 20 0 GEADMM C[C@H](NS(=O)(=O)c1occc1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000899559340 654021895 /nfs/dbraw/zinc/02/18/95/654021895.db2.gz GYZLGHPQMVDZSM-XHNCKOQMSA-N -1 1 380.260 2.456 20 0 GEADMM O=S(=O)([N-][C@H](CCO)Cc1ccccc1)c1ncccc1Br ZINC000849392035 654022173 /nfs/dbraw/zinc/02/21/73/654022173.db2.gz ZDHHLDVZSRYIES-CYBMUJFWSA-N -1 1 385.283 2.116 20 0 GEADMM O=C(NCc1ccc(Br)cc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000868223321 654024265 /nfs/dbraw/zinc/02/42/65/654024265.db2.gz GDIYRGCLKVJTRO-UHFFFAOYSA-N -1 1 393.241 2.017 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C=CCC2)c(F)cc1Br ZINC000849429550 654032725 /nfs/dbraw/zinc/03/27/25/654032725.db2.gz AAYKDCUVNVRPDM-MRVPVSSYSA-N -1 1 378.219 2.372 20 0 GEADMM O=S(=O)([N-][C@@H]1C[C@H](O)C12CCC2)c1cc(Br)cnc1Cl ZINC000849471395 654044296 /nfs/dbraw/zinc/04/42/96/654044296.db2.gz QOFAJJDZIQZVNO-ZJUUUORDSA-N -1 1 381.679 2.079 20 0 GEADMM O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148279 654051683 /nfs/dbraw/zinc/05/16/83/654051683.db2.gz UYRBSIJGKHXMDG-VXGBXAGGSA-N -1 1 382.251 2.120 20 0 GEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148277 654051747 /nfs/dbraw/zinc/05/17/47/654051747.db2.gz UYRBSIJGKHXMDG-NWDGAFQWSA-N -1 1 382.251 2.120 20 0 GEADMM COC(=O)[C@@H](Cc1cncs1)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000828803340 654051736 /nfs/dbraw/zinc/05/17/36/654051736.db2.gz HAKCDDZBPFKXOA-LLVKDONJSA-N -1 1 389.811 2.492 20 0 GEADMM CCc1nc(SCC(=O)Nc2cccc(S(C)(=O)=O)c2)[n-]c(=O)c1C ZINC000849921642 654061814 /nfs/dbraw/zinc/06/18/14/654061814.db2.gz QYMQLGZKMRVORL-UHFFFAOYSA-N -1 1 381.479 2.187 20 0 GEADMM O=C(c1ccc(I)cc1[O-])N1CCC(C2(O)CC2)CC1 ZINC000869131486 654071588 /nfs/dbraw/zinc/07/15/88/654071588.db2.gz YTIUXNHATHRXSA-UHFFFAOYSA-N -1 1 387.217 2.374 20 0 GEADMM Cc1c(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C)ccc1Br ZINC000798833505 654077715 /nfs/dbraw/zinc/07/77/15/654077715.db2.gz LCUZHXLCXGLZDO-CQSZACIVSA-N -1 1 391.331 2.457 20 0 GEADMM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C)cc(Br)c1F ZINC000798861017 654079011 /nfs/dbraw/zinc/07/90/11/654079011.db2.gz HLOVNOPYATUVBN-CYBMUJFWSA-N -1 1 395.294 2.288 20 0 GEADMM CCC[C@H](NC(=O)c1ccc(C(F)(F)Br)nc1)c1nn[n-]n1 ZINC000829802108 654080447 /nfs/dbraw/zinc/08/04/47/654080447.db2.gz XLQLIGWMXSRFTJ-QMMMGPOBSA-N -1 1 375.177 2.310 20 0 GEADMM CCC[C@@H](NC(=O)c1ccc(C(F)(F)Br)nc1)c1nn[n-]n1 ZINC000829802107 654080504 /nfs/dbraw/zinc/08/05/04/654080504.db2.gz XLQLIGWMXSRFTJ-MRVPVSSYSA-N -1 1 375.177 2.310 20 0 GEADMM C[C@]1(C(F)F)CN(C(=O)c2ccc(I)cc2[O-])CCO1 ZINC000869330790 654087647 /nfs/dbraw/zinc/08/76/47/654087647.db2.gz QKIUKOUUZBGUEY-CYBMUJFWSA-N -1 1 397.159 2.493 20 0 GEADMM C[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869343993 654089116 /nfs/dbraw/zinc/08/91/16/654089116.db2.gz WVIUBDYQAFZNPF-SECBINFHSA-N -1 1 381.734 2.288 20 0 GEADMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916275305 654089878 /nfs/dbraw/zinc/08/98/78/654089878.db2.gz VENORTSPXCRMRV-ZJUUUORDSA-N -1 1 382.251 2.443 20 0 GEADMM C[C@H]1CCN(C(=O)c2ccc(I)cc2[O-])C[C@@H]1CO ZINC000869355796 654090584 /nfs/dbraw/zinc/09/05/84/654090584.db2.gz NFBFOPITRDGVGX-VHSXEESVSA-N -1 1 375.206 2.087 20 0 GEADMM Cc1nccc(N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1Br ZINC000900962917 654099619 /nfs/dbraw/zinc/09/96/19/654099619.db2.gz WNVPZRDDDUXEJL-NSHDSACASA-N -1 1 382.258 2.054 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)C2(CO)CC2)c1F ZINC000917245743 654118025 /nfs/dbraw/zinc/11/80/25/654118025.db2.gz PBGTYXGWUZUTBW-QMMMGPOBSA-N -1 1 382.251 2.036 20 0 GEADMM CS(=O)(=O)Cc1nc(COC(=O)Cc2ccc([O-])c(Cl)c2)cs1 ZINC000869736929 654119314 /nfs/dbraw/zinc/11/93/14/654119314.db2.gz VRWILZFBSQAIFC-UHFFFAOYSA-N -1 1 375.855 2.333 20 0 GEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC000830504366 654122540 /nfs/dbraw/zinc/12/25/40/654122540.db2.gz QJPXUGZGBOGZET-SNVBAGLBSA-N -1 1 378.882 2.131 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)c1F ZINC000917425430 654124236 /nfs/dbraw/zinc/12/42/36/654124236.db2.gz MSGBQTIEFMGUPZ-JTQLQIEISA-N -1 1 396.278 2.284 20 0 GEADMM O=S(=O)(Cc1ccc(F)cc1Br)[N-][C@@H]1CCCC12OCCO2 ZINC000917625236 654129275 /nfs/dbraw/zinc/12/92/75/654129275.db2.gz HDIOAHUIHWHSPZ-CYBMUJFWSA-N -1 1 394.262 2.303 20 0 GEADMM Cn1nnnc1C1CCN(Cc2ccc(C(=O)[O-])c(Br)c2)CC1 ZINC000901548224 654129933 /nfs/dbraw/zinc/12/99/33/654129933.db2.gz GFTWUDCYFYIRAK-UHFFFAOYSA-N -1 1 380.246 2.050 20 0 GEADMM CSCC[C@@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000901582405 654131971 /nfs/dbraw/zinc/13/19/71/654131971.db2.gz IVDBLEPFFQSCKF-GFCCVEGCSA-N -1 1 385.287 2.326 20 0 GEADMM O=C1[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)CCCN1c1ccccc1Cl ZINC000830680983 654135835 /nfs/dbraw/zinc/13/58/35/654135835.db2.gz ULWUZGUDRKTWAB-JTQLQIEISA-N -1 1 389.264 2.190 20 0 GEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000830816264 654144532 /nfs/dbraw/zinc/14/45/32/654144532.db2.gz NKJUSTYLJRSUBA-IUODEOHRSA-N -1 1 378.778 2.433 20 0 GEADMM COc1ccc([C@@H](NCc2cnc(N(C)C)n2C)C(=O)[O-])cc1Br ZINC000901831531 654150209 /nfs/dbraw/zinc/15/02/09/654150209.db2.gz YGCFSVSTLUCNCS-CQSZACIVSA-N -1 1 397.273 2.173 20 0 GEADMM C[C@@H]1Cc2cc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)ccc2O1 ZINC000901954594 654157421 /nfs/dbraw/zinc/15/74/21/654157421.db2.gz JGOOSVPXKSRQKX-SNVBAGLBSA-N -1 1 385.438 2.353 20 0 GEADMM C[C@H](CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000901967624 654158705 /nfs/dbraw/zinc/15/87/05/654158705.db2.gz LEUVPKHYGGXLHN-SWHYSGLUSA-N -1 1 379.400 2.389 20 0 GEADMM O=S(=O)([N-][C@@H](CCO)c1ccccc1Br)c1c[nH]nc1Cl ZINC000831069498 654159292 /nfs/dbraw/zinc/15/92/92/654159292.db2.gz RFHWRPHYUVXWFV-JTQLQIEISA-N -1 1 394.678 2.228 20 0 GEADMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(=O)n(C)c1 ZINC000800838724 654160242 /nfs/dbraw/zinc/16/02/42/654160242.db2.gz KTLSAGDMMDSYEN-UHFFFAOYSA-N -1 1 392.662 2.305 20 0 GEADMM Cc1c(Br)cccc1CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831129304 654166012 /nfs/dbraw/zinc/16/60/12/654166012.db2.gz ALLVWBTZRBAJFA-UHFFFAOYSA-N -1 1 393.203 2.437 20 0 GEADMM CC(C)(C)OC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC000831195944 654170382 /nfs/dbraw/zinc/17/03/82/654170382.db2.gz PEZNWQHPATYUCB-JTQLQIEISA-N -1 1 378.882 2.131 20 0 GEADMM COc1cnc([C@H]2CCCN2C(=O)c2cnc(F)c(Br)c2)[n-]c1=O ZINC000889785688 654172764 /nfs/dbraw/zinc/17/27/64/654172764.db2.gz HCFJKEXGGZOQNI-SNVBAGLBSA-N -1 1 397.204 2.465 20 0 GEADMM COc1cnc([C@H]2CCCN2C(=O)c2nscc2Br)[n-]c1=O ZINC000889785274 654172827 /nfs/dbraw/zinc/17/28/27/654172827.db2.gz CXQLAPYDAJJYJG-MRVPVSSYSA-N -1 1 385.243 2.387 20 0 GEADMM COc1cnc([C@@H]2CCCN2C(=O)c2sc(N(C)C)nc2Cl)[n-]c1=O ZINC000889786071 654172941 /nfs/dbraw/zinc/17/29/41/654172941.db2.gz KJCOJBASTAGUEX-QMMMGPOBSA-N -1 1 383.861 2.344 20 0 GEADMM COc1cnc([C@H]2CCCN2C(=O)c2cccc(Br)n2)[n-]c1=O ZINC000889790552 654173428 /nfs/dbraw/zinc/17/34/28/654173428.db2.gz SHNPEGWAVFDHLK-SNVBAGLBSA-N -1 1 379.214 2.326 20 0 GEADMM CO[C@@H](C)c1nsc([N-]C(=O)c2nccn3c(Br)cnc23)n1 ZINC000800989896 654174183 /nfs/dbraw/zinc/17/41/83/654174183.db2.gz IGAUDOXRWSYJCF-LURJTMIESA-N -1 1 383.231 2.303 20 0 GEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(OC)no2)c(F)cc1Cl ZINC000851812609 654180818 /nfs/dbraw/zinc/18/08/18/654180818.db2.gz HRZLHMKNOOBODT-UHFFFAOYSA-N -1 1 392.792 2.131 20 0 GEADMM O=S(=O)(Cc1cc(F)ccc1Br)[N-][C@H]1CCCC12OCCO2 ZINC000851817754 654182344 /nfs/dbraw/zinc/18/23/44/654182344.db2.gz ICMHHXDYLVFNNH-ZDUSSCGKSA-N -1 1 394.262 2.303 20 0 GEADMM O=S(=O)(CC[N-]S(=O)(=O)c1sccc1Cl)CCc1ccccc1 ZINC000831398220 654182817 /nfs/dbraw/zinc/18/28/17/654182817.db2.gz OIWWGTGULCIKDE-UHFFFAOYSA-N -1 1 393.939 2.337 20 0 GEADMM CC(C)(C)OC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C(C)(C)C1 ZINC000831412096 654183693 /nfs/dbraw/zinc/18/36/93/654183693.db2.gz FTFHABQJXQXSJJ-LLVKDONJSA-N -1 1 392.909 2.377 20 0 GEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1Cl ZINC000851834342 654187824 /nfs/dbraw/zinc/18/78/24/654187824.db2.gz QPPKQVSOSXHJEO-SNVBAGLBSA-N -1 1 384.672 2.392 20 0 GEADMM CC(C)[C@@H](CC[N-]S(=O)(=O)c1ncn(C)c1Cl)NC(=O)OC(C)(C)C ZINC000851838337 654188573 /nfs/dbraw/zinc/18/85/73/654188573.db2.gz IFBOEDQJOIFMHA-LLVKDONJSA-N -1 1 394.925 2.291 20 0 GEADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2C[C@H](OC)C2)c1F ZINC000919710007 654190254 /nfs/dbraw/zinc/19/02/54/654190254.db2.gz QOEKHZNIUMRMOO-KYZUINATSA-N -1 1 382.251 2.300 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCCNC3=O)cc2)sc1C ZINC000851863160 654194133 /nfs/dbraw/zinc/19/41/33/654194133.db2.gz GAPYETPSEZQEQC-UHFFFAOYSA-N -1 1 380.495 2.158 20 0 GEADMM O=C([N-]CCNC(=O)C1CC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902779461 654197649 /nfs/dbraw/zinc/19/76/49/654197649.db2.gz BZCPLBFUGAMOPA-UHFFFAOYSA-N -1 1 385.720 2.488 20 0 GEADMM COC(=O)NCC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902943477 654204593 /nfs/dbraw/zinc/20/45/93/654204593.db2.gz RAFUENHHIYCGHR-UHFFFAOYSA-N -1 1 375.681 2.318 20 0 GEADMM Cn1[n-]cc2c(=NC(=O)COc3ccc(F)cc3Br)ccnc1-2 ZINC000801704664 654204654 /nfs/dbraw/zinc/20/46/54/654204654.db2.gz SZDYZBNHBCCZEV-UHFFFAOYSA-N -1 1 379.189 2.261 20 0 GEADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCn2ccnc21 ZINC000831739090 654205269 /nfs/dbraw/zinc/20/52/69/654205269.db2.gz QOGXUTHNIXOENR-NSHDSACASA-N -1 1 390.248 2.400 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)[C@H](O)C(F)F ZINC000831896395 654216631 /nfs/dbraw/zinc/21/66/31/654216631.db2.gz TWEYSBCAHHKCEQ-XPUUQOCRSA-N -1 1 391.845 2.179 20 0 GEADMM Cc1nn(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1Br ZINC000903135162 654219725 /nfs/dbraw/zinc/21/97/25/654219725.db2.gz GPFBXPPEMQHXPC-UHFFFAOYSA-N -1 1 388.243 2.063 20 0 GEADMM CC(C)(C)OC(=O)NCC[C@H]([N-]S(=O)(=O)N1CCCCCC1)C(F)F ZINC000831971329 654220869 /nfs/dbraw/zinc/22/08/69/654220869.db2.gz NXFZCVKJOQJYSQ-LBPRGKRZSA-N -1 1 385.477 2.245 20 0 GEADMM CC(C)(C)OC(=O)NCC[C@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)C(F)F ZINC000831976853 654221705 /nfs/dbraw/zinc/22/17/05/654221705.db2.gz QNPCKPMLEJKELX-JTQLQIEISA-N -1 1 392.415 2.500 20 0 GEADMM O=S(=O)([N-]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ncccc1Br ZINC000920925511 654227883 /nfs/dbraw/zinc/22/78/83/654227883.db2.gz UIULXEVXARSAJM-IONNQARKSA-N -1 1 389.193 2.232 20 0 GEADMM CCCc1nc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cs1 ZINC000852737747 654258096 /nfs/dbraw/zinc/25/80/96/654258096.db2.gz UZFYWVNRDREOHQ-CMPLNLGQSA-N -1 1 379.404 2.192 20 0 GEADMM O=S(=O)([N-]c1cc([C@@H]2CCCOC2)n[nH]1)c1occc1Br ZINC000903627491 654269404 /nfs/dbraw/zinc/26/94/04/654269404.db2.gz CUKXCNWOQOFMQH-MRVPVSSYSA-N -1 1 376.232 2.460 20 0 GEADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000871870052 654270546 /nfs/dbraw/zinc/27/05/46/654270546.db2.gz GPMGVJGJSXBJRL-LLVKDONJSA-N -1 1 390.889 2.200 20 0 GEADMM Cc1nn(C)c([N-]S(=O)(=O)c2ccnn2CC2CCC2)c1Br ZINC000903633720 654270422 /nfs/dbraw/zinc/27/04/22/654270422.db2.gz DOQNDKAJTAGHGZ-UHFFFAOYSA-N -1 1 388.291 2.288 20 0 GEADMM COc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(Cl)cc1C(=O)[O-] ZINC000871889536 654273245 /nfs/dbraw/zinc/27/32/45/654273245.db2.gz IGSULCQMQYTPRU-WDEREUQCSA-N -1 1 390.889 2.150 20 0 GEADMM Cc1cc(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)cc(C(=O)[O-])c1Cl ZINC000871906310 654275311 /nfs/dbraw/zinc/27/53/11/654275311.db2.gz BKONYBNCBMFNRQ-HNNXBMFYSA-N -1 1 392.930 2.062 20 0 GEADMM Cn1nnc2cc(S(=O)(=O)[N-]c3c(Br)cnn3C3CC3)ccc21 ZINC000903673272 654276176 /nfs/dbraw/zinc/27/61/76/654276176.db2.gz KLOJQXBIAJZMGT-UHFFFAOYSA-N -1 1 397.258 2.063 20 0 GEADMM CS[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)C[C@@H]1N(C)C ZINC000871932568 654283932 /nfs/dbraw/zinc/28/39/32/654283932.db2.gz UZEDCMWYMATHBI-STQMWFEESA-N -1 1 392.930 2.013 20 0 GEADMM Cc1cc(CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)nn1C ZINC000921583146 654286281 /nfs/dbraw/zinc/28/62/81/654286281.db2.gz VHFKDZOMRZXPSV-UHFFFAOYSA-N -1 1 393.694 2.060 20 0 GEADMM Cc1cc(Br)c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1N ZINC000803854377 654295234 /nfs/dbraw/zinc/29/52/34/654295234.db2.gz PEGNVCDHRRWFTB-UHFFFAOYSA-N -1 1 391.221 2.453 20 0 GEADMM COc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](N(C)C)C(F)(F)F)cc1F ZINC000921631117 654295491 /nfs/dbraw/zinc/29/54/91/654295491.db2.gz IWXUEAXHYYFAOA-GFCCVEGCSA-N -1 1 376.347 2.134 20 0 GEADMM CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871975160 654297627 /nfs/dbraw/zinc/29/76/27/654297627.db2.gz GVHVYBYZYLSPBS-SECBINFHSA-N -1 1 381.281 2.406 20 0 GEADMM O=S(=O)([N-]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)o1 ZINC000921670171 654302285 /nfs/dbraw/zinc/30/22/85/654302285.db2.gz CNFWHQKVSKUHAJ-SNVBAGLBSA-N -1 1 380.260 2.049 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c(Br)n1C ZINC000804957131 654328407 /nfs/dbraw/zinc/32/84/07/654328407.db2.gz BTGNQJNWXCKBER-UHFFFAOYSA-N -1 1 394.241 2.290 20 0 GEADMM COCCS(=O)(=O)[N-]c1nn(-c2ncccc2Cl)cc1Br ZINC000872385675 654328571 /nfs/dbraw/zinc/32/85/71/654328571.db2.gz LLFZOZRYIQIDMT-UHFFFAOYSA-N -1 1 395.666 2.071 20 0 GEADMM O=C(NCCC[C@@H]1CCOC1=O)c1ccc(I)c([O-])c1 ZINC000834487644 654329314 /nfs/dbraw/zinc/32/93/14/654329314.db2.gz YNNIUNMOWOUYLA-SECBINFHSA-N -1 1 389.189 2.070 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)c(Br)n1C ZINC000805003573 654333195 /nfs/dbraw/zinc/33/31/95/654333195.db2.gz DBYXUSPFHWLKLA-UHFFFAOYSA-N -1 1 377.264 2.081 20 0 GEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-][C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921863104 654334758 /nfs/dbraw/zinc/33/47/58/654334758.db2.gz USYOWAXYRHACLB-MFKMUULPSA-N -1 1 381.372 2.027 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c(Br)n1C ZINC000805015758 654335694 /nfs/dbraw/zinc/33/56/94/654335694.db2.gz SLTHUROEOKOZHO-STQMWFEESA-N -1 1 384.299 2.401 20 0 GEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000872439336 654335816 /nfs/dbraw/zinc/33/58/16/654335816.db2.gz RTWLEXSCLOXMKF-QHCPKHFHSA-N -1 1 376.544 2.367 20 0 GEADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000872440706 654336501 /nfs/dbraw/zinc/33/65/01/654336501.db2.gz WFIJVDJHSBRZML-XMMPIXPASA-N -1 1 388.490 2.242 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c(Br)n1C ZINC000805042388 654340130 /nfs/dbraw/zinc/34/01/30/654340130.db2.gz PYKOWZMBGFLYSM-UHFFFAOYSA-N -1 1 397.298 2.493 20 0 GEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000834664580 654341453 /nfs/dbraw/zinc/34/14/53/654341453.db2.gz URAQIMHUUQQECE-LBPRGKRZSA-N -1 1 378.416 2.410 20 0 GEADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000872456129 654341539 /nfs/dbraw/zinc/34/15/39/654341539.db2.gz JSIVMAHMKIRQAR-QFIPXVFZSA-N -1 1 393.478 2.435 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)c(Br)n1C ZINC000805050980 654341698 /nfs/dbraw/zinc/34/16/98/654341698.db2.gz HFFCCVANHNWOHL-WDEREUQCSA-N -1 1 394.335 2.363 20 0 GEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCC2(CS(C)(=O)=O)CC2)c1 ZINC000834669027 654342101 /nfs/dbraw/zinc/34/21/01/654342101.db2.gz QLPREERLLQZGFH-UHFFFAOYSA-N -1 1 378.416 2.410 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)c(Br)n1C ZINC000805052739 654342192 /nfs/dbraw/zinc/34/21/92/654342192.db2.gz OWXNLGZMUVMRHM-UHFFFAOYSA-N -1 1 384.299 2.327 20 0 GEADMM O=S(=O)([N-]Cc1nc2c(s1)COCC2)c1c(Cl)ccnc1Cl ZINC000921919225 654342376 /nfs/dbraw/zinc/34/23/76/654342376.db2.gz KARFVFIDNLRMGY-UHFFFAOYSA-N -1 1 380.278 2.396 20 0 GEADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)c(Br)n1C ZINC000805060321 654343614 /nfs/dbraw/zinc/34/36/14/654343614.db2.gz ZCISNOBGXORWDQ-SSDOTTSWSA-N -1 1 377.239 2.065 20 0 GEADMM COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872462218 654344070 /nfs/dbraw/zinc/34/40/70/654344070.db2.gz SVDOXIURCLKEEI-OZAJXLCCSA-N -1 1 389.543 2.005 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c(Br)n1C ZINC000805062986 654344586 /nfs/dbraw/zinc/34/45/86/654344586.db2.gz XZODKFYKEBUVEH-LLVKDONJSA-N -1 1 380.308 2.119 20 0 GEADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c(Br)n1C ZINC000805074243 654345774 /nfs/dbraw/zinc/34/57/74/654345774.db2.gz FLNXECUPPNNFBP-UHFFFAOYSA-N -1 1 394.241 2.290 20 0 GEADMM Cn1nnc2c1C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CC2 ZINC000922041835 654358503 /nfs/dbraw/zinc/35/85/03/654358503.db2.gz JGWLZXJGWMUBJM-QMMMGPOBSA-N -1 1 379.244 2.097 20 0 GEADMM O=S(=O)([N-][C@H]1C[C@H](O)C12CCOCC2)c1ccc(Cl)c(F)c1Cl ZINC000922086781 654365862 /nfs/dbraw/zinc/36/58/62/654365862.db2.gz IVDNHIRIBUKWTM-QWRGUYRKSA-N -1 1 384.256 2.341 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000872542595 654368038 /nfs/dbraw/zinc/36/80/38/654368038.db2.gz DXQWTMFZQNKCKT-JIMOISOXSA-N -1 1 381.372 2.016 20 0 GEADMM CCN1CC[C@@H]1CNC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000922160023 654372844 /nfs/dbraw/zinc/37/28/44/654372844.db2.gz RXAPNTRSVDADJW-GFCCVEGCSA-N -1 1 379.404 2.081 20 0 GEADMM C[C@H]1Cn2nccc2N(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000922207154 654375839 /nfs/dbraw/zinc/37/58/39/654375839.db2.gz UJFKEYHWEPWJBG-SECBINFHSA-N -1 1 383.189 2.490 20 0 GEADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1cnn2cc(Br)cnc12 ZINC000905796241 654380294 /nfs/dbraw/zinc/38/02/94/654380294.db2.gz SXQLPDLOMQNXLY-LLVKDONJSA-N -1 1 391.229 2.011 20 0 GEADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nccnc2C)c(F)cc1Cl ZINC000872637350 654384664 /nfs/dbraw/zinc/38/46/64/654384664.db2.gz GABLXVSWJXGCNB-SECBINFHSA-N -1 1 387.820 2.404 20 0 GEADMM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C\c1ccc(I)o1 ZINC000855131844 654397532 /nfs/dbraw/zinc/39/75/32/654397532.db2.gz DAOJNIJHUXREOZ-VURMDHGXSA-N -1 1 393.177 2.287 20 0 GEADMM O=C(c1cc(I)ccc1[O-])N1CCC2=C(CCC(=O)N2)C1 ZINC000855153413 654398690 /nfs/dbraw/zinc/39/86/90/654398690.db2.gz XFANSHJSJZJQCG-UHFFFAOYSA-N -1 1 398.200 2.007 20 0 GEADMM COc1cccc(S([O-])=CC(=O)OCc2csc(C3OCCO3)n2)c1 ZINC000893561444 654408272 /nfs/dbraw/zinc/40/82/72/654408272.db2.gz MGDWHUUFWVAIOJ-RUZDIDTESA-N -1 1 383.447 2.048 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]c1cnc2c(c1)COCC2)c1ccccc1F ZINC000906063386 654411675 /nfs/dbraw/zinc/41/16/75/654411675.db2.gz XJBNGOJORJJLCF-DEOSSOPVSA-N -1 1 385.442 2.107 20 0 GEADMM C[S@@](=O)(=NS(=O)(=O)[N-]c1cnccc1N1CCCC1)c1ccccc1 ZINC000906065128 654412615 /nfs/dbraw/zinc/41/26/15/654412615.db2.gz BRUUCJKUYIYVKL-DEOSSOPVSA-N -1 1 380.495 2.495 20 0 GEADMM O=C([N-]CC1CCN(C(=O)NCc2ncc(Cl)s2)CC1)C(F)(F)F ZINC000873175732 654420914 /nfs/dbraw/zinc/42/09/14/654420914.db2.gz ZWXXFOKDGYSAHF-UHFFFAOYSA-N -1 1 384.811 2.397 20 0 GEADMM CC(C)Nc1cc(Br)ccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000855861495 654445046 /nfs/dbraw/zinc/44/50/46/654445046.db2.gz FGDFGMDUIUEBQD-UHFFFAOYSA-N -1 1 395.257 2.148 20 0 GEADMM COC(=O)N(C)CCN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000855884400 654445983 /nfs/dbraw/zinc/44/59/83/654445983.db2.gz QARHDUDVKDEBTG-UHFFFAOYSA-N -1 1 396.241 2.473 20 0 GEADMM CSc1nc(CNc2nc(C)ncc2I)cc(=O)[n-]1 ZINC000894472898 654478905 /nfs/dbraw/zinc/47/89/05/654478905.db2.gz WJTFCGUANGJZLH-UHFFFAOYSA-N -1 1 389.222 2.219 20 0 GEADMM COc1cc(-c2noc([C@@H]3CSCC(=O)N3)n2)cc(Br)c1[O-] ZINC000924008194 654496811 /nfs/dbraw/zinc/49/68/11/654496811.db2.gz RILBMLPPIDVIAN-QMMMGPOBSA-N -1 1 386.227 2.117 20 0 GEADMM C[C@@H]1CN(S(=O)(=O)c2ccc(CCC[N-]C(=O)C(F)(F)F)cc2)[C@H]1C ZINC000907212895 654520498 /nfs/dbraw/zinc/52/04/98/654520498.db2.gz MECWLBWMJVKHDP-NEPJUHHUSA-N -1 1 378.416 2.327 20 0 GEADMM CCc1ncc(C[N-]S(=O)(=O)c2ccc(I)s2)o1 ZINC000907228037 654521991 /nfs/dbraw/zinc/52/19/91/654521991.db2.gz AXKCQKSXJVWMQH-UHFFFAOYSA-N -1 1 398.247 2.382 20 0 GEADMM Cc1cc(Br)c(F)c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000907471048 654546172 /nfs/dbraw/zinc/54/61/72/654546172.db2.gz GHKLIJGQGHNSQI-JTQLQIEISA-N -1 1 386.250 2.340 20 0 GEADMM O=C(c1c[nH]c2cccc(Br)c21)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476591 654547103 /nfs/dbraw/zinc/54/71/03/654547103.db2.gz QUVCCNGJUKRLFR-NSHDSACASA-N -1 1 393.270 2.374 20 0 GEADMM C[C@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1cccc(Br)c1 ZINC000907479917 654547711 /nfs/dbraw/zinc/54/77/11/654547711.db2.gz JONLKHZLVBOXEV-JOYOIKCWSA-N -1 1 382.287 2.382 20 0 GEADMM O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479544 654547815 /nfs/dbraw/zinc/54/78/15/654547815.db2.gz LEAXKYHDKUCUPD-VIFPVBQESA-N -1 1 392.794 2.126 20 0 GEADMM O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480132 654548164 /nfs/dbraw/zinc/54/81/64/654548164.db2.gz QHQVOOLZHDQJIN-SNVBAGLBSA-N -1 1 384.252 2.085 20 0 GEADMM Cc1cccc(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1Br ZINC000907481717 654548234 /nfs/dbraw/zinc/54/82/34/654548234.db2.gz KFVRFCGJIXSQMX-NSHDSACASA-N -1 1 382.287 2.130 20 0 GEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC3(CC3)C2)c(F)c1 ZINC000907732826 654571794 /nfs/dbraw/zinc/57/17/94/654571794.db2.gz VNBAAUQSOCSRAO-LBPRGKRZSA-N -1 1 376.475 2.198 20 0 GEADMM COc1cnc([C@@H]2CCCN2S(=O)(=O)c2ccccc2SC)[n-]c1=O ZINC000908015318 654596618 /nfs/dbraw/zinc/59/66/18/654596618.db2.gz BZUGMXOELILYSI-NSHDSACASA-N -1 1 381.479 2.439 20 0 GEADMM Cc1nc([C@H]2CCN(C(=O)c3ccc(I)c([O-])c3)C2)no1 ZINC000927330666 654599734 /nfs/dbraw/zinc/59/97/34/654599734.db2.gz PDDZVBVDDOECJI-JTQLQIEISA-N -1 1 399.188 2.318 20 0 GEADMM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1cccc([O-])c1Br ZINC000908706920 654638312 /nfs/dbraw/zinc/63/83/12/654638312.db2.gz BESVXPLBKIZHPY-CYBMUJFWSA-N -1 1 391.287 2.200 20 0 GEADMM CN(Cc1cc(Br)ccc1F)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908769645 654639570 /nfs/dbraw/zinc/63/95/70/654639570.db2.gz DOVQQQXUYCLZEP-NSHDSACASA-N -1 1 387.249 2.343 20 0 GEADMM C[C@@H](CN1CCOCC1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000908873157 654643026 /nfs/dbraw/zinc/64/30/26/654643026.db2.gz WRJINGHNKSPETN-SWLSCSKDSA-N -1 1 399.285 2.049 20 0 GEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCOC2CCSCC2)o1 ZINC000908891890 654643906 /nfs/dbraw/zinc/64/39/06/654643906.db2.gz GNAXZCWFGGXDIK-UHFFFAOYSA-N -1 1 391.511 2.425 20 0 GEADMM O=C([O-])[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(Br)cc1 ZINC000908911207 654645320 /nfs/dbraw/zinc/64/53/20/654645320.db2.gz WMLLYPOWMDTZGX-QMTHXVAHSA-N -1 1 378.226 2.219 20 0 GEADMM CO[C@@H]1CCCN(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000928410585 654646392 /nfs/dbraw/zinc/64/63/92/654646392.db2.gz SZFCUQVFRNONJP-LLVKDONJSA-N -1 1 380.242 2.046 20 0 GEADMM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000909669761 654670441 /nfs/dbraw/zinc/67/04/41/654670441.db2.gz IUUYGCFPVNGOFV-QMMMGPOBSA-N -1 1 380.120 2.461 20 0 GEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br)[C@H]1CCSC1 ZINC000909954928 654684282 /nfs/dbraw/zinc/68/42/82/654684282.db2.gz OANUOKINLAGQID-IINYFYTJSA-N -1 1 387.299 2.128 20 0 GEADMM CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@H](C(=O)[O-])C1 ZINC000909982354 654685052 /nfs/dbraw/zinc/68/50/52/654685052.db2.gz GVDDRXVWPCTIBV-SKDRFNHKSA-N -1 1 382.214 2.030 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000910355330 654697921 /nfs/dbraw/zinc/69/79/21/654697921.db2.gz RIDHYWGFABQRPZ-WGHIXYSZSA-N -1 1 393.281 2.000 20 0 GEADMM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000910373803 654698090 /nfs/dbraw/zinc/69/80/90/654698090.db2.gz JTKOXOKHKOREMX-NSHDSACASA-N -1 1 389.271 2.014 20 0 GEADMM COC(=O)[C@H](CC1CC1)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000910415155 654699462 /nfs/dbraw/zinc/69/94/62/654699462.db2.gz VJPYYLQVDYEICU-JTQLQIEISA-N -1 1 377.185 2.394 20 0 GEADMM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000910448166 654700398 /nfs/dbraw/zinc/70/03/98/654700398.db2.gz DMUNCCMOKAQOHM-UWVGGRQHSA-N -1 1 382.189 2.476 20 0 GEADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3n[nH]c(-c4ccccc4)c3Br)C[C@@H]21 ZINC000910790971 654711121 /nfs/dbraw/zinc/71/11/21/654711121.db2.gz PGVLVNVFPSZOLZ-URLYPYJESA-N -1 1 376.210 2.242 20 0 GEADMM Nc1nc(Br)ccc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000930518836 654712029 /nfs/dbraw/zinc/71/20/29/654712029.db2.gz DWNKEDVOAALRDT-SECBINFHSA-N -1 1 395.223 2.317 20 0 GEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000910870570 654713182 /nfs/dbraw/zinc/71/31/82/654713182.db2.gz SAEKVFGONBPKKP-SMDDNHRTSA-N -1 1 397.269 2.186 20 0 GEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000911531370 654725417 /nfs/dbraw/zinc/72/54/17/654725417.db2.gz IOEDJEXZTWTNFS-CYBMUJFWSA-N -1 1 389.279 2.111 20 0 GEADMM C[C@](CO)(NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC000911760069 654731305 /nfs/dbraw/zinc/73/13/05/654731305.db2.gz YZOHBTMRYZKDIX-APPDUMDISA-N -1 1 389.279 2.114 20 0 GEADMM CSc1nc(CNC(=O)[C@@](C)(O)CSc2cccc(F)c2)cc(=O)[n-]1 ZINC000912246436 654747708 /nfs/dbraw/zinc/74/77/08/654747708.db2.gz DMIOZRXECIDYRO-INIZCTEOSA-N -1 1 383.470 2.203 20 0 GEADMM O=C(CCCOc1cccc(Cl)c1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494559 654795751 /nfs/dbraw/zinc/79/57/51/654795751.db2.gz FJZWAHNSKQCXIW-LLVKDONJSA-N -1 1 386.239 2.266 20 0 GEADMM C[C@H](CC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Br)cc1 ZINC000913495433 654796219 /nfs/dbraw/zinc/79/62/19/654796219.db2.gz KERACSDJQGFXNQ-MFKMUULPSA-N -1 1 380.246 2.056 20 0 GEADMM O=C(NC12CCN(CC1)C2)c1cc(Br)c([O-])c(Br)c1 ZINC000913631665 654802181 /nfs/dbraw/zinc/80/21/81/654802181.db2.gz XGOOKGWYENVWCQ-UHFFFAOYSA-N -1 1 390.075 2.495 20 0 GEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2ccccc2Br)CC1 ZINC000913745152 654807445 /nfs/dbraw/zinc/80/74/45/654807445.db2.gz QQCXNLUKWLZLRR-UHFFFAOYSA-N -1 1 376.258 2.400 20 0 GEADMM O=C(CCc1cccc(F)c1Br)N1CCC(c2nn[n-]n2)CC1 ZINC000913745734 654807543 /nfs/dbraw/zinc/80/75/43/654807543.db2.gz CJNUYBBYTKORCB-UHFFFAOYSA-N -1 1 382.237 2.440 20 0 GEADMM O=C(Cc1c(F)ccc(Br)c1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913745144 654807608 /nfs/dbraw/zinc/80/76/08/654807608.db2.gz QGYVTBOLCZXLDU-UHFFFAOYSA-N -1 1 386.200 2.189 20 0 GEADMM CC[C@H]([N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(C)C ZINC000913967213 654819066 /nfs/dbraw/zinc/81/90/66/654819066.db2.gz GKSQVBFBQADCIM-JTQLQIEISA-N -1 1 391.291 2.213 20 0 GEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccnn1C1CCC1)c1ccc(Cl)cc1 ZINC000914211037 654835707 /nfs/dbraw/zinc/83/57/07/654835707.db2.gz ZKJGZZZOZWIGEH-OAHLLOKOSA-N -1 1 383.857 2.454 20 0 GEADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-]CC1(CCO)CC1 ZINC000914401263 654851551 /nfs/dbraw/zinc/85/15/51/654851551.db2.gz GSNSDEPYKFXOPS-HSZRJFAPSA-N -1 1 386.417 2.030 20 0 GEADMM O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)[N-]C[C@H]1CC[C@@H](O)C1 ZINC000914425356 654853649 /nfs/dbraw/zinc/85/36/49/654853649.db2.gz VITYIHLJKLAZGP-YCINEILWSA-N -1 1 386.417 2.029 20 0 GEADMM COC[C@@H]([N-]S(=O)(=O)Cc1ccsc1Br)[C@@H]1CCCO1 ZINC000915069474 654862440 /nfs/dbraw/zinc/86/24/40/654862440.db2.gz DOBOZRXDDZVRNI-MNOVXSKESA-N -1 1 384.317 2.124 20 0 GEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)o1 ZINC000915239147 654866264 /nfs/dbraw/zinc/86/62/64/654866264.db2.gz BLDSYMIQNPVJJE-UHFFFAOYSA-N -1 1 385.266 2.240 20 0 GEADMM C[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000935591680 654903050 /nfs/dbraw/zinc/90/30/50/654903050.db2.gz CVXQQBUSAPJTHU-GHMZBOCLSA-N -1 1 375.206 2.479 20 0 GEADMM