smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1nc2n(n1)CCC[C@H]2N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162272656 530567408 /nfs/dbraw/zinc/56/74/08/530567408.db2.gz IVXMBMBXDVLNNT-OCCSQVGLSA-N 0 0 394.273 1.838 10 0 GDAERN Cc1cnn(CCNS(=O)(=O)c2cc(N(C)C)ccc2Br)c1 ZINC000163016022 530572967 /nfs/dbraw/zinc/57/29/67/530572967.db2.gz JIFUFTXTRJCRQO-UHFFFAOYSA-N 0 0 387.303 1.999 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000163599444 530576403 /nfs/dbraw/zinc/57/64/03/530576403.db2.gz JPOJZCCCGHKRAR-ZDUSSCGKSA-N 0 0 392.257 1.979 10 0 GDAERN Cc1[nH]cc(C(=O)NCCc2nnc3n2CCCC3)c(=O)c1Br ZINC000166389725 530582528 /nfs/dbraw/zinc/58/25/28/530582528.db2.gz HTEGBSOENPBTQZ-UHFFFAOYSA-N 0 0 380.246 1.758 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000170896494 530590813 /nfs/dbraw/zinc/59/08/13/530590813.db2.gz XPQYKNBVZAXRST-AWEZNQCLSA-N 0 0 392.257 1.634 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000171224383 530596369 /nfs/dbraw/zinc/59/63/69/530596369.db2.gz ALQDTCKVJOMBFN-NSHDSACASA-N 0 0 384.274 1.533 10 0 GDAERN COC(=O)[C@@H]1CCCCN1Cc1nnnn1-c1ccccc1Br ZINC000171225355 530596462 /nfs/dbraw/zinc/59/64/62/530596462.db2.gz MOWJRTWGSGOKLC-ZDUSSCGKSA-N 0 0 380.246 1.952 10 0 GDAERN Cn1cc([C@@H]2CCCN2C(=O)c2nc3ncc(Br)cn3n2)cn1 ZINC000171347940 530598314 /nfs/dbraw/zinc/59/83/14/530598314.db2.gz VDTOLYROJYHAPB-NSHDSACASA-N 0 0 376.218 1.598 10 0 GDAERN O=C(c1ccccc1[N-]S(=O)(=O)C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171804617 530603452 /nfs/dbraw/zinc/60/34/52/530603452.db2.gz NBKXCEXHSKRDGX-LLVKDONJSA-N 0 0 377.388 1.868 10 0 GDAERN Cn1cnc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1Cl ZINC000032436944 530607103 /nfs/dbraw/zinc/60/71/03/530607103.db2.gz LYGPZPZLJROGQE-UHFFFAOYSA-N 0 0 388.921 1.923 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(I)cc3)CCO2)[nH]1 ZINC000173087037 530623113 /nfs/dbraw/zinc/62/31/13/530623113.db2.gz IQVVXCSWIKLSMF-LBPRGKRZSA-N 0 0 398.204 1.931 10 0 GDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173713435 530635787 /nfs/dbraw/zinc/63/57/87/530635787.db2.gz KEYLSENXRHWLPH-CYBMUJFWSA-N 0 0 380.246 1.888 10 0 GDAERN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000173887127 530639033 /nfs/dbraw/zinc/63/90/33/530639033.db2.gz UKNIKNXSGZHWAN-RISCZKNCSA-N 0 0 394.946 1.751 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCCc2ccc(Br)s2)[C@H](C)CO1 ZINC000173000548 530620617 /nfs/dbraw/zinc/62/06/17/530620617.db2.gz KMQGLWIIUZAVIZ-NXEZZACHSA-N 0 0 383.333 1.997 10 0 GDAERN CC(C)CS(=O)(=O)CC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000176540566 530685043 /nfs/dbraw/zinc/68/50/43/530685043.db2.gz DFSCRGRBSRTJMT-OAHLLOKOSA-N 0 0 388.555 1.651 10 0 GDAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2sc(C)nc2C)ncn1 ZINC000176952047 530694715 /nfs/dbraw/zinc/69/47/15/530694715.db2.gz MMZDDGUJLLWYCN-GFCCVEGCSA-N 0 0 382.515 1.539 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000177419082 530702512 /nfs/dbraw/zinc/70/25/12/530702512.db2.gz YQMYPFWDANHDOX-SNVBAGLBSA-N 0 0 399.332 1.369 10 0 GDAERN C[C@H](SC[C@H](O)CO)C(=O)Nc1ccc(I)cc1 ZINC000177442938 530703213 /nfs/dbraw/zinc/70/32/13/530703213.db2.gz IXAPFMNGOLGCEN-GZMMTYOYSA-N 0 0 381.235 1.705 10 0 GDAERN O=C(COc1ccc(I)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177561913 530705261 /nfs/dbraw/zinc/70/52/61/530705261.db2.gz OWPIONCASRLKFE-GFCCVEGCSA-N 0 0 398.204 1.913 10 0 GDAERN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(Br)cc1S(N)(=O)=O ZINC000177782398 530710511 /nfs/dbraw/zinc/71/05/11/530710511.db2.gz HIMOCISOJXRNCG-RKDXNWHRSA-N 0 0 391.287 1.654 10 0 GDAERN Cc1ccc([C@@H](CNC(=O)CSc2n[nH]c(C)n2)N2CCOCC2)s1 ZINC000177973559 530714252 /nfs/dbraw/zinc/71/42/52/530714252.db2.gz SGECDCFWEYMAMD-CYBMUJFWSA-N 0 0 381.527 1.765 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1=O ZINC000177982006 530714311 /nfs/dbraw/zinc/71/43/11/530714311.db2.gz UTZCDQDDZVLYBP-NSHDSACASA-N 0 0 381.234 1.608 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177985057 530714586 /nfs/dbraw/zinc/71/45/86/530714586.db2.gz VSQCYTQCVSTYIB-SNVBAGLBSA-N 0 0 381.234 1.704 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178340465 530719463 /nfs/dbraw/zinc/71/94/63/530719463.db2.gz JVBKCVLTKQCADI-TZMCWYRMSA-N 0 0 376.210 1.557 10 0 GDAERN CS(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1Br ZINC000179497505 530742668 /nfs/dbraw/zinc/74/26/68/530742668.db2.gz DAZBKLACXCTHPH-LBPRGKRZSA-N 0 0 387.299 1.773 10 0 GDAERN Cn1cc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc(Br)c1=O ZINC000178963455 530733078 /nfs/dbraw/zinc/73/30/78/530733078.db2.gz POGLWZBJVIDSJZ-KBPBESRZSA-N 0 0 378.226 1.928 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)C(C)C ZINC000179911671 530753147 /nfs/dbraw/zinc/75/31/47/530753147.db2.gz WGIRPBQWTXRVSZ-GFCCVEGCSA-N 0 0 391.287 1.353 10 0 GDAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(Cl)s1 ZINC000179948956 530753510 /nfs/dbraw/zinc/75/35/10/530753510.db2.gz RZDJDGBMMMZTLC-SECBINFHSA-N 0 0 384.932 1.274 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1cc(Cl)ccc1Br ZINC000180194738 530760235 /nfs/dbraw/zinc/76/02/35/530760235.db2.gz ZSGNZJFKDGMLKU-GFCCVEGCSA-N 0 0 375.650 1.748 10 0 GDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC[C@H](c2nccs2)C1 ZINC000067046949 530771853 /nfs/dbraw/zinc/77/18/53/530771853.db2.gz YHHWHRPQTRGTDS-VIFPVBQESA-N 0 0 399.270 1.162 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)c2ccccc2I)cn1 ZINC000181364146 530782366 /nfs/dbraw/zinc/78/23/66/530782366.db2.gz OIPLXJHKRSGIMM-CQSZACIVSA-N 0 0 396.232 1.811 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)COc2cccc(Br)c2)cn1 ZINC000181391684 530782926 /nfs/dbraw/zinc/78/29/26/530782926.db2.gz IJNYUBMEQHKHKZ-OAHLLOKOSA-N 0 0 379.258 1.735 10 0 GDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)NCc2cccc(Cl)c2)n1C ZINC000182395654 530798662 /nfs/dbraw/zinc/79/86/62/530798662.db2.gz SOCQPUGAVRPGLN-UHFFFAOYSA-N 0 0 384.889 1.823 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cnc1Br ZINC000182818006 530805482 /nfs/dbraw/zinc/80/54/82/530805482.db2.gz PTTMBVFHMWRIGM-UONOGXRCSA-N 0 0 390.237 1.866 10 0 GDAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184944385 530834674 /nfs/dbraw/zinc/83/46/74/530834674.db2.gz STZKSHDDFDNEHI-UHFFFAOYSA-N 0 0 378.841 1.919 10 0 GDAERN COC[C@H](C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000103522416 530835637 /nfs/dbraw/zinc/83/56/37/530835637.db2.gz DPXMGWDLVKSASB-CMPLNLGQSA-N 0 0 393.221 1.430 10 0 GDAERN Cc1[nH]cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(=O)c1Br ZINC000183217295 530812105 /nfs/dbraw/zinc/81/21/05/530812105.db2.gz SNMRDVOZHNSYHM-LBPRGKRZSA-N 0 0 384.274 1.652 10 0 GDAERN NC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000095348924 530816596 /nfs/dbraw/zinc/81/65/96/530816596.db2.gz BSVYIZLBVWKKKM-STQMWFEESA-N 0 0 397.273 1.415 10 0 GDAERN Cc1noc(CCNC(=O)NCC(=O)Nc2ccc(Br)cc2)n1 ZINC000101618431 530825442 /nfs/dbraw/zinc/82/54/42/530825442.db2.gz NMLSCFMXVCLAQV-UHFFFAOYSA-N 0 0 382.218 1.621 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000185740945 530846342 /nfs/dbraw/zinc/84/63/42/530846342.db2.gz ZVSVCBHZJMSCJP-LBPRGKRZSA-N 0 0 379.276 1.067 10 0 GDAERN CC(C)(C)OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000107455732 530854147 /nfs/dbraw/zinc/85/41/47/530854147.db2.gz VQTADYKNQADHEM-OAHLLOKOSA-N 0 0 390.933 1.822 10 0 GDAERN C[S@@](=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000109920146 530865403 /nfs/dbraw/zinc/86/54/03/530865403.db2.gz XHZCFHSTKJQFAT-MQNRADLISA-N 0 0 378.519 1.974 10 0 GDAERN Cc1nc([C@@H]2CCCN2C(=O)CN(C)S(=O)(=O)c2cccnc2)cs1 ZINC000187018073 530865958 /nfs/dbraw/zinc/86/59/58/530865958.db2.gz GPJYHVGXPFYMTJ-HNNXBMFYSA-N 0 0 380.495 1.831 10 0 GDAERN C[S@@](=O)CCCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000110856823 530870347 /nfs/dbraw/zinc/87/03/47/530870347.db2.gz ZRWXOUVDUOZWLG-MQNRADLISA-N 0 0 379.507 1.568 10 0 GDAERN O=C(CCn1cnc2sccc2c1=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110877577 530870865 /nfs/dbraw/zinc/87/08/65/530870865.db2.gz DFRUXODHJIKNJT-GFCCVEGCSA-N 0 0 376.463 1.905 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)CN(C)C(=O)c3cccs3)CC2)s1 ZINC000110941893 530871396 /nfs/dbraw/zinc/87/13/96/530871396.db2.gz BXKIRFLWDUSEJY-UHFFFAOYSA-N 0 0 378.523 1.929 10 0 GDAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C12CCOCC2 ZINC000185150283 530837443 /nfs/dbraw/zinc/83/74/43/530837443.db2.gz LZMKEJSNRIRYKO-NEPJUHHUSA-N 0 0 377.894 1.634 10 0 GDAERN COCC(=O)NC1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000185295918 530840323 /nfs/dbraw/zinc/84/03/23/530840323.db2.gz GBQIYAAERSNHRA-UHFFFAOYSA-N 0 0 381.643 1.999 10 0 GDAERN O=C(NC[C@@H](O)Cc1ccccc1)c1nc2ncc(Br)cn2n1 ZINC000104910985 530841753 /nfs/dbraw/zinc/84/17/53/530841753.db2.gz FHKVGOUCCJSDNR-LBPRGKRZSA-N 0 0 376.214 1.220 10 0 GDAERN O=C(NCCc1ccc(I)s1)N1CCNC(=O)CC1 ZINC000105232899 530842395 /nfs/dbraw/zinc/84/23/95/530842395.db2.gz ZXGFGXALGFLGAJ-UHFFFAOYSA-N 0 0 393.250 1.427 10 0 GDAERN O=C(c1cc(I)c[nH]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000115380416 530899786 /nfs/dbraw/zinc/89/97/86/530899786.db2.gz VVPULFCHLSAVBP-NSHDSACASA-N 0 0 386.193 1.357 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116370459 530904483 /nfs/dbraw/zinc/90/44/83/530904483.db2.gz MEQRACQRHGTASN-CYBMUJFWSA-N 0 0 383.495 1.310 10 0 GDAERN Cc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(C)cc1Br ZINC000116898365 530909081 /nfs/dbraw/zinc/90/90/81/530909081.db2.gz WHMNSLKNZNJGJH-NSHDSACASA-N 0 0 385.287 1.951 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187978918 530881970 /nfs/dbraw/zinc/88/19/70/530881970.db2.gz FMYURFHORFTDHX-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3cc(Br)cn3C)CC2)cn1 ZINC000112559519 530882792 /nfs/dbraw/zinc/88/27/92/530882792.db2.gz FYYRZYLLJMUPJR-UHFFFAOYSA-N 0 0 380.290 1.869 10 0 GDAERN Cc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1I ZINC000112656712 530883085 /nfs/dbraw/zinc/88/30/85/530883085.db2.gz IBNCFUWQEWCEPC-NSHDSACASA-N 0 0 382.205 1.936 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188070670 530884336 /nfs/dbraw/zinc/88/43/36/530884336.db2.gz KEFBHXBKADRQRJ-CYBMUJFWSA-N 0 0 382.258 1.823 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1Br ZINC000188121307 530885646 /nfs/dbraw/zinc/88/56/46/530885646.db2.gz PDUXURACZKMCNU-LLVKDONJSA-N 0 0 392.257 1.727 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000188121365 530885830 /nfs/dbraw/zinc/88/58/30/530885830.db2.gz RXWVFIDAGLGOFI-LLVKDONJSA-N 0 0 378.230 1.419 10 0 GDAERN COC(=O)C[C@H](NC(=O)C1CN(C(C)=O)C1)c1cccc(Br)c1 ZINC000188301800 530891258 /nfs/dbraw/zinc/89/12/58/530891258.db2.gz YVSACONTWZJOQI-AWEZNQCLSA-N 0 0 383.242 1.648 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CCS(=O)(=O)CC1 ZINC000119788965 530931254 /nfs/dbraw/zinc/93/12/54/530931254.db2.gz SVBIWRKJTWGTTL-UHFFFAOYSA-N 0 0 379.219 1.470 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000189469898 530913792 /nfs/dbraw/zinc/91/37/92/530913792.db2.gz LABDAYRGEDMRBV-AWEZNQCLSA-N 0 0 384.274 1.303 10 0 GDAERN Cc1cnn(CCNC(=O)CN(C)C(=O)c2ccc(Br)s2)c1 ZINC000117813398 530914294 /nfs/dbraw/zinc/91/42/94/530914294.db2.gz TZLXACXNSRMFJD-UHFFFAOYSA-N 0 0 385.287 1.904 10 0 GDAERN CN1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000189746453 530920150 /nfs/dbraw/zinc/92/01/50/530920150.db2.gz ZTEHBNGYMPNEIS-UHFFFAOYSA-N 0 0 377.242 1.939 10 0 GDAERN COCCN1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@H]1C ZINC000119160167 530922813 /nfs/dbraw/zinc/92/28/13/530922813.db2.gz UJPNGUQZYLCQIY-ABAIWWIYSA-N 0 0 388.281 1.767 10 0 GDAERN COc1ccc(Cl)cc1CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119989520 530934617 /nfs/dbraw/zinc/93/46/17/530934617.db2.gz JTCDCVWZQJVGSH-OAHLLOKOSA-N 0 0 386.901 1.918 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192094791 530961827 /nfs/dbraw/zinc/96/18/27/530961827.db2.gz FEFYHIRWTZXJGJ-JTQLQIEISA-N 0 0 388.649 1.778 10 0 GDAERN Cn1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1C(N)=O ZINC000122002316 530964821 /nfs/dbraw/zinc/96/48/21/530964821.db2.gz WOAMPVZBGPVQQU-ZDUSSCGKSA-N 0 0 375.372 1.576 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccc(I)cc1 ZINC000190928853 530940069 /nfs/dbraw/zinc/94/00/69/530940069.db2.gz OJTZQCXJJQLIJH-CYBMUJFWSA-N 0 0 386.233 1.913 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CC1=O ZINC000191044243 530942712 /nfs/dbraw/zinc/94/27/12/530942712.db2.gz KHVOUIYMIVFRBC-UHFFFAOYSA-N 0 0 390.184 1.357 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000191343841 530947567 /nfs/dbraw/zinc/94/75/67/530947567.db2.gz MQJGUJSFFHMLLI-UHFFFAOYSA-N 0 0 382.258 1.858 10 0 GDAERN O=C(Nc1cc(Br)ccc1-n1cccn1)C(=O)N1CCC[C@@H]1CO ZINC000121168835 530951029 /nfs/dbraw/zinc/95/10/29/530951029.db2.gz ZJRCWENQZSQMSD-GFCCVEGCSA-N 0 0 393.241 1.557 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3c[nH]c(C)c(Br)c3=O)CCO2)[nH]1 ZINC000121402959 530955879 /nfs/dbraw/zinc/95/58/79/530955879.db2.gz LPZTXIIWILNRQQ-SNVBAGLBSA-N 0 0 382.218 1.498 10 0 GDAERN COCCN(CCOC)S(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000193274092 530982760 /nfs/dbraw/zinc/98/27/60/530982760.db2.gz VJAHABWZONXPJT-LBPRGKRZSA-N 0 0 395.319 1.939 10 0 GDAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000193309652 530983270 /nfs/dbraw/zinc/98/32/70/530983270.db2.gz ZXFWUTGUQJYRSZ-CQSZACIVSA-N 0 0 399.314 1.826 10 0 GDAERN COC(=O)[C@H]1CN(Cc2nnnn2-c2ccccc2Br)C[C@@H](C)O1 ZINC000123450310 530983754 /nfs/dbraw/zinc/98/37/54/530983754.db2.gz FJONVJIIWFVYLO-ZWNOBZJWSA-N 0 0 396.245 1.187 10 0 GDAERN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000122269576 530969235 /nfs/dbraw/zinc/96/92/35/530969235.db2.gz IZQBVDWPPCUMIH-FZMZJTMJSA-N 0 0 378.491 1.236 10 0 GDAERN Cn1cc(Br)cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1=O ZINC000124413386 530995035 /nfs/dbraw/zinc/99/50/35/530995035.db2.gz XEAHNFXRYYTKRH-GFCCVEGCSA-N 0 0 392.209 1.336 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000193953855 530997033 /nfs/dbraw/zinc/99/70/33/530997033.db2.gz 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CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000246320209 531065861 /nfs/dbraw/zinc/06/58/61/531065861.db2.gz JSHSJVKZZANPOL-ZIAGYGMSSA-N 0 0 386.901 1.991 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C ZINC000245658119 531060114 /nfs/dbraw/zinc/06/01/14/531060114.db2.gz MCGSJJMWBLALSS-QWRGUYRKSA-N 0 0 389.237 1.213 10 0 GDAERN O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCS[C@@H]2COCC[C@H]21 ZINC000247325794 531074352 /nfs/dbraw/zinc/07/43/52/531074352.db2.gz WNAAGZMMIGQGFQ-HZPDHXFCSA-N 0 0 383.470 1.906 10 0 GDAERN O[C@@H](COc1cccc(Br)c1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247733240 531076156 /nfs/dbraw/zinc/07/61/56/531076156.db2.gz MJNNATLJUXFKBY-NVXWUHKLSA-N 0 0 396.285 1.786 10 0 GDAERN COC(=O)C[C@H]1CN(C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000248540745 531079305 /nfs/dbraw/zinc/07/93/05/531079305.db2.gz BMWVSXYTGPXMSW-SMDDNHRTSA-N 0 0 376.222 1.886 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CCN1C[C@H](C)O ZINC000248687239 531081488 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GDAERN O=S(=O)(c1ccc(F)cc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134706585 531103231 /nfs/dbraw/zinc/10/32/31/531103231.db2.gz AIECSDFSISRPHT-LBPRGKRZSA-N 0 0 380.438 1.153 10 0 GDAERN CCN(C[C@@H](O)COc1cccc(Br)c1)[C@H](C)CS(C)(=O)=O ZINC000246668730 531069085 /nfs/dbraw/zinc/06/90/85/531069085.db2.gz GFFHUJOBIAZMMM-TZMCWYRMSA-N 0 0 394.331 1.944 10 0 GDAERN COCCN(C)S(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246635040 531069096 /nfs/dbraw/zinc/06/90/96/531069096.db2.gz JFYHFWMSXVUXOT-KGLIPLIRSA-N 0 0 382.404 1.636 10 0 GDAERN C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(Cl)s3)CC2)[C@@H](C)CO1 ZINC000246705853 531069622 /nfs/dbraw/zinc/06/96/22/531069622.db2.gz ZPHGFBVSXMIGIC-STQMWFEESA-N 0 0 393.962 1.873 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000247111428 531071910 /nfs/dbraw/zinc/07/19/10/531071910.db2.gz RCBXEDDHFRCIBP-NEPJUHHUSA-N 0 0 384.274 1.301 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3cccnc3Br)CC2)cn1 ZINC000135390988 531108807 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CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000155286836 531198998 /nfs/dbraw/zinc/19/89/98/531198998.db2.gz BRHAMISMSBAXBO-GJZGRUSLSA-N 0 0 392.880 1.833 10 0 GDAERN Cn1nccc1C1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000155392643 531199910 /nfs/dbraw/zinc/19/99/10/531199910.db2.gz NMYCOGJFLUBEHM-UHFFFAOYSA-N 0 0 383.499 1.218 10 0 GDAERN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)N1CCOCC1 ZINC000155916332 531203561 /nfs/dbraw/zinc/20/35/61/531203561.db2.gz WRAUYJKOYAXRBH-NSHDSACASA-N 0 0 394.269 1.741 10 0 GDAERN C[C@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)N1CCOCC1 ZINC000156981169 531205869 /nfs/dbraw/zinc/20/58/69/531205869.db2.gz JLUDGNPCQSXDAO-LLVKDONJSA-N 0 0 398.261 1.132 10 0 GDAERN Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000157274742 531206405 /nfs/dbraw/zinc/20/64/05/531206405.db2.gz SFVOOVXOZZYLMC-TZMCWYRMSA-N 0 0 375.372 1.936 10 0 GDAERN O=C(N[C@H]1CCc2c1cccc2Br)C1CC2(C1)NC(=O)NC2=O ZINC000157291432 531206507 /nfs/dbraw/zinc/20/65/07/531206507.db2.gz 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Cc1noc([C@H]2CN(c3ccc(I)cn3)CCN2C)n1 ZINC000296782871 531723738 /nfs/dbraw/zinc/72/37/38/531723738.db2.gz NNUBJPGTIZKNNM-LLVKDONJSA-N 0 0 385.209 1.871 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@H]1C(N)=O ZINC000284785012 531992324 /nfs/dbraw/zinc/99/23/24/531992324.db2.gz QVPLYZCPDILEKP-VXNVDRBHSA-N 0 0 381.679 1.844 10 0 GDAERN NS(=O)(=O)c1ccc(N2CCC(n3cncn3)CC2)c(C(F)(F)F)c1 ZINC000301190530 532027993 /nfs/dbraw/zinc/02/79/93/532027993.db2.gz MBDQFRZSFZOSHL-UHFFFAOYSA-N 0 0 375.376 1.786 10 0 GDAERN CN(C)CC(=O)Nc1cccc(CNc2cnn(C)c(=O)c2Br)c1 ZINC000301256690 532030249 /nfs/dbraw/zinc/03/02/49/532030249.db2.gz UEJIMZXUXMEPKZ-UHFFFAOYSA-N 0 0 394.273 1.655 10 0 GDAERN CCC1(CC)CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC[S@@]1=O ZINC000302213754 532046886 /nfs/dbraw/zinc/04/68/86/532046886.db2.gz FXZBYHSSCAGXPA-DEOSSOPVSA-N 0 0 385.555 1.994 10 0 GDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2nc(C)sc2C)cn1 ZINC000328626384 532088533 /nfs/dbraw/zinc/08/85/33/532088533.db2.gz 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GDAERN CCn1c(=O)c(=O)n(CC(=O)N[C@H]2CCCc3ccccc32)c2cccnc21 ZINC000035449803 204988855 /nfs/dbraw/zinc/98/88/55/204988855.db2.gz MZOGDUMLICOYIN-INIZCTEOSA-N 0 0 378.432 1.772 10 0 GDAERN COc1ccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCC2)cc1 ZINC000065152236 205213468 /nfs/dbraw/zinc/21/34/68/205213468.db2.gz ZSSCDZOXDYLWPT-UHFFFAOYSA-N 0 0 392.481 1.533 10 0 GDAERN NC(=O)N[C@H](CC(=O)N1CCCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000095348923 205439166 /nfs/dbraw/zinc/43/91/66/205439166.db2.gz BSVYIZLBVWKKKM-OLZOCXBDSA-N 0 0 397.273 1.415 10 0 GDAERN Cc1csc(CN2Cc3ccnn3[C@H](COCC(=O)N3CCCC3)C2)n1 ZINC000247983333 206135274 /nfs/dbraw/zinc/13/52/74/206135274.db2.gz YBPVEGGBTGNGQM-INIZCTEOSA-N 0 0 375.498 1.844 10 0 GDAERN Cn1c2ccccc2nc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1=O ZINC000065113103 136159242 /nfs/dbraw/zinc/15/92/42/136159242.db2.gz UPVRUXWHEWXIPU-UHFFFAOYSA-N 0 0 380.423 1.964 10 0 GDAERN Cc1cc(C)c2c(n1)nc(C(=O)NCc1cccnc1)nc2N1CCOCC1 ZINC000065232044 136160672 /nfs/dbraw/zinc/16/06/72/136160672.db2.gz 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C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])sc2Br)C[C@@H]1[NH+](C)C ZINC000123589123 644697741 /nfs/dbraw/zinc/69/77/41/644697741.db2.gz ULYNKFBCTYPRML-YUMQZZPRSA-N 0 0 397.316 1.779 10 0 GDAERN CN(Cc1cccc(Br)c1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126622010 644721818 /nfs/dbraw/zinc/72/18/18/644721818.db2.gz XVPRFABQXODXAC-ZDUSSCGKSA-N 0 0 375.288 1.184 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000160361300 644847888 /nfs/dbraw/zinc/84/78/88/644847888.db2.gz SWTOVZRLSPGHLZ-GFCCVEGCSA-N 0 0 399.289 1.352 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000172030720 644881201 /nfs/dbraw/zinc/88/12/01/644881201.db2.gz GMUBFGZKHAOYOW-ZDUSSCGKSA-N 0 0 390.937 1.120 10 0 GDAERN Brc1nc(Br)n(CN2CC[C@@H](N3CCOCC3)C2)n1 ZINC000175237787 644904670 /nfs/dbraw/zinc/90/46/70/644904670.db2.gz NSZMMFWKRJZCNG-SECBINFHSA-N 0 0 395.099 1.167 10 0 GDAERN O=C(CNC(=O)NNC(=O)c1cc(F)ccc1Br)NCC1CC1 ZINC000183793993 644973058 /nfs/dbraw/zinc/97/30/58/644973058.db2.gz 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GDAERN Cc1nc([C@@H]2CCCN2C(=O)c2c(C)[nH]nc2I)no1 ZINC000896709238 658803477 /nfs/dbraw/zinc/80/34/77/658803477.db2.gz QWOTYSUHZYLCMF-QMMMGPOBSA-N 0 0 387.181 1.991 10 0 GDAERN O=C(c1c[nH]nc1I)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000897017297 658819058 /nfs/dbraw/zinc/81/90/58/658819058.db2.gz FGTFBMNKPFWOSO-NOZJJQNGSA-N 0 0 375.210 1.782 10 0 GDAERN O=C(NCCS(=O)(=O)Cc1ccccc1)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900372610 659102981 /nfs/dbraw/zinc/10/29/81/659102981.db2.gz IRHXSMBKIHVJJG-MQVJKMGUSA-N 0 0 381.519 1.676 10 0 GDAERN C[C@H]1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000701837574 954889844 /nfs/dbraw/zinc/88/98/44/954889844.db2.gz LBLZXVMFMAYRIA-UAGQMJEPSA-N 0 0 381.498 1.423 10 0 GDAERN CO[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000704193609 977223852 /nfs/dbraw/zinc/22/38/52/977223852.db2.gz OUACKXBVWWRULZ-XLIONFOSSA-N 0 0 375.469 1.784 10 0 GDAERN O=C([O-])c1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000705961147 977305162 /nfs/dbraw/zinc/30/51/62/977305162.db2.gz DYCASXZVPILETE-GASCZTMLSA-N 0 0 376.434 1.730 10 0 GDAERN NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(C(=O)[O-])c1 ZINC000716190897 977814603 /nfs/dbraw/zinc/81/46/03/977814603.db2.gz YBEUQAFZHSMOKO-AWEZNQCLSA-N 0 0 375.450 1.719 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC000718109685 977950404 /nfs/dbraw/zinc/95/04/04/977950404.db2.gz GVMKPQUEAWQXFO-MSOLQXFVSA-N 0 0 375.469 1.782 10 0 GDAERN O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000723244951 978178571 /nfs/dbraw/zinc/17/85/71/978178571.db2.gz LKHBVBIDYKJPKT-BDXSIMOUSA-N 0 0 378.494 1.633 10 0 GDAERN O=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cn4c(n3)CCCC4)ccc2[nH]1 ZINC000263801357 231044206 /nfs/dbraw/zinc/04/42/06/231044206.db2.gz QIMIEMSWPMLBHN-UHFFFAOYSA-N 0 0 375.410 1.052 10 0 GDAERN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000504132127 231293168 /nfs/dbraw/zinc/29/31/68/231293168.db2.gz 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O=C(c1nn2c(c1Br)OCCC2)N1CCN(c2ncccn2)CC1 ZINC000223795583 645074682 /nfs/dbraw/zinc/07/46/82/645074682.db2.gz OWJWVWCIIJGUPL-UHFFFAOYSA-N 0 0 393.245 1.181 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@@H]1C ZINC000246889801 645096399 /nfs/dbraw/zinc/09/63/99/645096399.db2.gz XEQUEBZOAYPQHQ-UWVGGRQHSA-N 0 0 382.454 1.272 10 0 GDAERN O=S(=O)(CC1CCS(=O)(=O)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000328830820 645280556 /nfs/dbraw/zinc/28/05/56/645280556.db2.gz URWHXEFBEUWYEQ-VXGBXAGGSA-N 0 0 377.450 1.852 10 0 GDAERN O=S1(=O)CC[C@H]2CN(C[C@H](O)COc3ccc(Br)cc3)C[C@H]21 ZINC000329179402 645301163 /nfs/dbraw/zinc/30/11/63/645301163.db2.gz NJXRTSIYORSOAW-CORIIIEPSA-N 0 0 390.299 1.308 10 0 GDAERN O=C(c1[nH]nc(C2CC2)c1Br)N1CCN(Cc2ncc[nH]2)CC1 ZINC000329308347 645305488 /nfs/dbraw/zinc/30/54/88/645305488.db2.gz ZRQLLOVXRHCTJQ-UHFFFAOYSA-N 0 0 379.262 1.731 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000368826072 645626768 /nfs/dbraw/zinc/62/67/68/645626768.db2.gz ZMWKKLWTKREZKS-ZIAGYGMSSA-N 0 0 385.511 1.028 10 0 GDAERN O=S(=O)(N[C@H]1CCCC[C@H]1O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000443138254 647184320 /nfs/dbraw/zinc/18/43/20/647184320.db2.gz WPKUCQJHYCFSPH-JKSUJKDBSA-N 0 0 388.511 1.053 10 0 GDAERN Cc1cc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)sc1Br ZINC000632631585 653387550 /nfs/dbraw/zinc/38/75/50/653387550.db2.gz CDAYKRMXSPTTDD-SNVBAGLBSA-N 0 0 383.333 1.770 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000702814966 654833128 /nfs/dbraw/zinc/83/31/28/654833128.db2.gz NUSDSMOVKMJRIS-SKDRFNHKSA-N 0 0 388.262 1.735 10 0 GDAERN Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000896409718 658777020 /nfs/dbraw/zinc/77/70/20/658777020.db2.gz LTRFEZMLNWCRKQ-SECBINFHSA-N 0 0 385.209 1.686 10 0 GDAERN Cc1c(I)cccc1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909174088 659941520 /nfs/dbraw/zinc/94/15/20/659941520.db2.gz WKBCOSTXXZUTMG-MGPQQGTHSA-N 0 0 397.216 1.900 10 0 GDAERN O=C(Cc1cccc(I)c1)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909171970 659941571 /nfs/dbraw/zinc/94/15/71/659941571.db2.gz FUWKSYZFHNRGNX-IPYPFGDCSA-N 0 0 397.216 1.521 10 0 GDAERN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000716178845 955128643 /nfs/dbraw/zinc/12/86/43/955128643.db2.gz QJBBHUKTKIIVNK-PVAVHDDUSA-N 0 0 381.498 1.280 10 0 GDAERN O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709642126 969038869 /nfs/dbraw/zinc/03/88/69/969038869.db2.gz UJRBYEPPMKVOHL-MSOLQXFVSA-N 0 0 395.525 1.815 10 0 GDAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702620545 977097436 /nfs/dbraw/zinc/09/74/36/977097436.db2.gz UOZDXVVYIGTBPR-GOSISDBHSA-N 0 0 394.449 1.202 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000708518144 977430892 /nfs/dbraw/zinc/43/08/92/977430892.db2.gz WJMZGEBDPIPPIA-TZMCWYRMSA-N 0 0 378.454 1.154 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000708531569 977432868 /nfs/dbraw/zinc/43/28/68/977432868.db2.gz JIJRKTPFCZNGBQ-WMLDXEAASA-N 0 0 389.477 1.826 10 0 GDAERN O=C(N[C@H](n1cc(F)c(=O)[nH]c1=O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003123253 530533867 /nfs/dbraw/zinc/53/38/67/530533867.db2.gz JEVAIVRHLUBSNE-LLVKDONJSA-N 0 0 380.590 1.975 10 0 GDAERN O=C1NCCCC[C@@H]1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010986435 530553492 /nfs/dbraw/zinc/55/34/92/530553492.db2.gz MQSFOZLPYQBLFE-NSHDSACASA-N 0 0 377.919 1.377 10 0 GDAERN CCc1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000162113577 530565781 /nfs/dbraw/zinc/56/57/81/530565781.db2.gz SAFRYAYXAYCVRA-DOMZBBRYSA-N 0 0 378.274 1.734 10 0 GDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000163911706 530577898 /nfs/dbraw/zinc/57/78/98/530577898.db2.gz MIUDSNRPTGHSAI-OIBJUYFYSA-N 0 0 375.244 1.316 10 0 GDAERN C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCCO1 ZINC000027894579 530590433 /nfs/dbraw/zinc/59/04/33/530590433.db2.gz KERKABZPVRNXOI-ZANVPECISA-N 0 0 381.226 1.729 10 0 GDAERN CN1CCO[C@H](CNC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000170924502 530591776 /nfs/dbraw/zinc/59/17/76/530591776.db2.gz VNIIVDQWNZHNAN-CYBMUJFWSA-N 0 0 385.262 1.017 10 0 GDAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@H](O)COc1cccc(Br)c1 ZINC000172074754 530608105 /nfs/dbraw/zinc/60/81/05/530608105.db2.gz CTIKFPKOPHETFV-DYEKYZERSA-N 0 0 394.331 1.942 10 0 GDAERN Cc1cnn(CCNC(=O)NCC(=O)Nc2ccc(Br)cc2)c1 ZINC000172277414 530610858 /nfs/dbraw/zinc/61/08/58/530610858.db2.gz NWGIHADWJSAHIY-UHFFFAOYSA-N 0 0 380.246 1.892 10 0 GDAERN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c(Br)c1 ZINC000041601086 530622453 /nfs/dbraw/zinc/62/24/53/530622453.db2.gz VEVMNSCZAYYELL-GFCCVEGCSA-N 0 0 384.274 1.533 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173585261 530633480 /nfs/dbraw/zinc/63/34/80/530633480.db2.gz ICGHXZKSACOEKF-HNNXBMFYSA-N 0 0 385.302 1.915 10 0 GDAERN CSc1ccc(S(=O)(=O)N2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000173826348 530637809 /nfs/dbraw/zinc/63/78/09/530637809.db2.gz WNLLCEYTAINVKM-UHFFFAOYSA-N 0 0 382.511 1.997 10 0 GDAERN C[C@@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173949641 530639771 /nfs/dbraw/zinc/63/97/71/530639771.db2.gz ZECMJMUCEKAVQZ-CJNGLKHVSA-N 0 0 379.507 1.970 10 0 GDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000174041298 530642170 /nfs/dbraw/zinc/64/21/70/530642170.db2.gz OEJPJOQRIMXYQE-AWEZNQCLSA-N 0 0 382.873 1.856 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)N1CCOCC1 ZINC000041601268 530622385 /nfs/dbraw/zinc/62/23/85/530622385.db2.gz ZGDUQDMPHZEMJI-SNVBAGLBSA-N 0 0 388.237 1.364 10 0 GDAERN C[C@@H](N1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1)C(F)(F)F ZINC000176322175 530681615 /nfs/dbraw/zinc/68/16/15/530681615.db2.gz FOPKQIOWDPPCKT-PNESKVBLSA-N 0 0 385.452 1.620 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000176321215 530681910 /nfs/dbraw/zinc/68/19/10/530681910.db2.gz JIEGSDBIQOFALJ-UKRRQHHQSA-N 0 0 385.917 1.707 10 0 GDAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177611024 530706842 /nfs/dbraw/zinc/70/68/42/530706842.db2.gz ASBVDXZBYSHXJR-ZDUSSCGKSA-N 0 0 383.861 1.447 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1=O ZINC000177971264 530713467 /nfs/dbraw/zinc/71/34/67/530713467.db2.gz LLRBYOGZXZQORL-GXTWGEPZSA-N 0 0 378.226 1.928 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(OC)cc1I)C(C)C ZINC000178688618 530725254 /nfs/dbraw/zinc/72/52/54/530725254.db2.gz YJHGQXGPKBDTCM-GFCCVEGCSA-N 0 0 390.221 1.800 10 0 GDAERN CC(C)S(=O)(=O)CCN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000178718352 530726412 /nfs/dbraw/zinc/72/64/12/530726412.db2.gz NQKJPZYECSVIDL-UHFFFAOYSA-N 0 0 386.539 1.657 10 0 GDAERN O=C(C1CC2(C1)NC(=O)NC2=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000178909188 530730747 /nfs/dbraw/zinc/73/07/47/530730747.db2.gz LFJJANKSYIMRLJ-UHFFFAOYSA-N 0 0 392.253 1.928 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C(C)C ZINC000178923479 530730905 /nfs/dbraw/zinc/73/09/05/530730905.db2.gz BVACYHDHXALQEA-LLVKDONJSA-N 0 0 385.230 1.776 10 0 GDAERN O=S(=O)(c1sccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000062983979 530744620 /nfs/dbraw/zinc/74/46/20/530744620.db2.gz OJRXDAJCFFUFKB-JTQLQIEISA-N 0 0 381.317 1.606 10 0 GDAERN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179909678 530753239 /nfs/dbraw/zinc/75/32/39/530753239.db2.gz LFFMJHYDUZDKHS-VIFPVBQESA-N 0 0 388.964 1.814 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000180106408 530757702 /nfs/dbraw/zinc/75/77/02/530757702.db2.gz WKHKDSYAGLZTFW-MRVPVSSYSA-N 0 0 392.304 1.927 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000180226241 530760710 /nfs/dbraw/zinc/76/07/10/530760710.db2.gz CCPMEJJVHZDZGS-LBPRGKRZSA-N 0 0 394.229 1.414 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)CCCCOc1ccc(Br)cc1 ZINC000180211538 530760835 /nfs/dbraw/zinc/76/08/35/530760835.db2.gz OLTREJFHSXIZDA-CQSZACIVSA-N 0 0 385.258 1.711 10 0 GDAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000180302111 530763586 /nfs/dbraw/zinc/76/35/86/530763586.db2.gz KFEZBPAGYPQCRX-MRVPVSSYSA-N 0 0 388.358 1.459 10 0 GDAERN C[C@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1N1CCOCC1 ZINC000179649697 530746335 /nfs/dbraw/zinc/74/63/35/530746335.db2.gz VYLZBUJXAXHFLP-SMDDNHRTSA-N 0 0 394.273 1.285 10 0 GDAERN CC(C)c1n[nH]c(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)c1Br ZINC000181321320 530781648 /nfs/dbraw/zinc/78/16/48/530781648.db2.gz FTNKPGLIEQXLAP-LLVKDONJSA-N 0 0 381.278 1.816 10 0 GDAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000181702750 530789512 /nfs/dbraw/zinc/78/95/12/530789512.db2.gz SGVLAXYYCSJCCN-SNVBAGLBSA-N 0 0 391.316 1.579 10 0 GDAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181693298 530789637 /nfs/dbraw/zinc/78/96/37/530789637.db2.gz KNQXSBFZFWBXGD-CQSZACIVSA-N 0 0 399.314 1.826 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccccc1Br ZINC000182937544 530807703 /nfs/dbraw/zinc/80/77/03/530807703.db2.gz ZJQDZQLJXYJVBU-JTQLQIEISA-N 0 0 378.226 1.964 10 0 GDAERN O=C(NCCNS(=O)(=O)c1cccs1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183355480 530813551 /nfs/dbraw/zinc/81/35/51/530813551.db2.gz KQMHJQKLUBRJCK-ZDUSSCGKSA-N 0 0 383.499 1.686 10 0 GDAERN CNC(=O)[C@@H]1CN(C(=O)/C=C/c2cc(Br)ccc2OC)CCO1 ZINC000183541384 530816584 /nfs/dbraw/zinc/81/65/84/530816584.db2.gz IRDNCAJJAAWZJT-ZRFDWSJLSA-N 0 0 383.242 1.444 10 0 GDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1c(F)cccc1Br ZINC000097014759 530819755 /nfs/dbraw/zinc/81/97/55/530819755.db2.gz KDRSRTHSMWKVPH-SNVBAGLBSA-N 0 0 375.223 1.993 10 0 GDAERN Cc1csc([C@@H](C)CNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000183943861 530821710 /nfs/dbraw/zinc/82/17/10/530821710.db2.gz TVPCYNSFAYTKSG-GXTWGEPZSA-N 0 0 386.543 1.765 10 0 GDAERN O=C([C@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184092149 530824675 /nfs/dbraw/zinc/82/46/75/530824675.db2.gz FEGMMCVSPMDGJL-VHSXEESVSA-N 0 0 375.372 1.380 10 0 GDAERN O=C(CN1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(Br)cn1 ZINC000106173729 530846618 /nfs/dbraw/zinc/84/66/18/530846618.db2.gz TYNCUUQQYNTHKQ-GFCCVEGCSA-N 0 0 379.262 1.786 10 0 GDAERN C[S@](=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000109920148 530866170 /nfs/dbraw/zinc/86/61/70/530866170.db2.gz XHZCFHSTKJQFAT-ODCWNRFASA-N 0 0 378.519 1.974 10 0 GDAERN CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CNC(=O)C1 ZINC000110382815 530867522 /nfs/dbraw/zinc/86/75/22/530867522.db2.gz VIUPRXDYZVKMFR-GFCCVEGCSA-N 0 0 382.258 1.050 10 0 GDAERN Cc1cnn([C@@H]2CCCN(C(=O)c3sccc3S(=O)(=O)N(C)C)C2)c1 ZINC000110728457 530869803 /nfs/dbraw/zinc/86/98/03/530869803.db2.gz ZBYMZBNDZGUZKT-CYBMUJFWSA-N 0 0 382.511 1.981 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000187333852 530871620 /nfs/dbraw/zinc/87/16/20/530871620.db2.gz KZKMODZOBHEVOO-ZDUSSCGKSA-N 0 0 382.258 1.741 10 0 GDAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C12CCOCC2 ZINC000185150251 530837432 /nfs/dbraw/zinc/83/74/32/530837432.db2.gz LZMKEJSNRIRYKO-RYUDHWBXSA-N 0 0 377.894 1.634 10 0 GDAERN COCC(=O)NC1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000185235169 530838548 /nfs/dbraw/zinc/83/85/48/530838548.db2.gz KWLWTBHYIUSNKD-UHFFFAOYSA-N 0 0 380.242 1.446 10 0 GDAERN O=C(NCCCNC(=O)N1CCNC(=O)CC1)c1cccc(Br)c1 ZINC000105219666 530842431 /nfs/dbraw/zinc/84/24/31/530842431.db2.gz UIVIKUIBCRWBTD-UHFFFAOYSA-N 0 0 397.273 1.101 10 0 GDAERN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCNC(=O)CC1 ZINC000105243490 530842488 /nfs/dbraw/zinc/84/24/88/530842488.db2.gz LLHVWOQMQBRTPF-CYBMUJFWSA-N 0 0 381.274 1.559 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(I)c[nH]1)CC2 ZINC000115387314 530899853 /nfs/dbraw/zinc/89/98/53/530899853.db2.gz WXEUWHIHHRKIEZ-SECBINFHSA-N 0 0 385.209 1.518 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188878810 530903416 /nfs/dbraw/zinc/90/34/16/530903416.db2.gz HPXPMMYJRSSXHF-RYUDHWBXSA-N 0 0 375.903 1.840 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000189083964 530907084 /nfs/dbraw/zinc/90/70/84/530907084.db2.gz FXFOQEZKYQKSJO-NWDGAFQWSA-N 0 0 397.229 1.291 10 0 GDAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cnc(Cl)c(C)c3)CC2)n1 ZINC000117364625 530911695 /nfs/dbraw/zinc/91/16/95/530911695.db2.gz FYWBYEOXGDYKAK-NSHDSACASA-N 0 0 385.877 1.802 10 0 GDAERN C[C@@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1Br ZINC000116934098 530910582 /nfs/dbraw/zinc/91/05/82/530910582.db2.gz HFBOVNOTGUFFPT-GHMZBOCLSA-N 0 0 390.303 1.843 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)cc2Br)C1)C1CC1 ZINC000187928581 530880656 /nfs/dbraw/zinc/88/06/56/530880656.db2.gz RDYWAKRUYOUSRT-UHFFFAOYSA-N 0 0 377.235 1.487 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c(Br)c1 ZINC000187980864 530882089 /nfs/dbraw/zinc/88/20/89/530882089.db2.gz QIQAXSNUERDCND-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112663555 530883404 /nfs/dbraw/zinc/88/34/04/530883404.db2.gz ZUWOAIYKAVGIEC-CYBMUJFWSA-N 0 0 392.257 1.292 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000112648672 530883594 /nfs/dbraw/zinc/88/35/94/530883594.db2.gz KYEDRWBZVGZZGZ-CYBMUJFWSA-N 0 0 387.241 1.971 10 0 GDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1I ZINC000189296851 530910976 /nfs/dbraw/zinc/91/09/76/530910976.db2.gz UQNKZRCDFKQFBU-SNVBAGLBSA-N 0 0 387.221 1.440 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Br)c(F)cc1F ZINC000113298236 530888456 /nfs/dbraw/zinc/88/84/56/530888456.db2.gz YLTAGKZMXZLDNF-SSDOTTSWSA-N 0 0 393.213 1.612 10 0 GDAERN CN1CCO[C@@H](CNC(=O)NCc2c(F)cc(Br)cc2F)C1 ZINC000188540079 530896191 /nfs/dbraw/zinc/89/61/91/530896191.db2.gz IZIZUJPEEUOLFE-JTQLQIEISA-N 0 0 378.217 1.857 10 0 GDAERN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000190513410 530931698 /nfs/dbraw/zinc/93/16/98/530931698.db2.gz OKHXYTAUOGYICJ-HNNXBMFYSA-N 0 0 387.571 1.803 10 0 GDAERN O=C(c1sccc1OC(F)F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119806542 530931670 /nfs/dbraw/zinc/93/16/70/530931670.db2.gz UJZLTZBAJURHOA-JTQLQIEISA-N 0 0 380.438 1.990 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000119909084 530933201 /nfs/dbraw/zinc/93/32/01/530933201.db2.gz NYRCOJRMULWACH-LLVKDONJSA-N 0 0 396.220 1.982 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CCN1CCOC ZINC000117526233 530913403 /nfs/dbraw/zinc/91/34/03/530913403.db2.gz GQTYBVRIPWJCDC-CYBMUJFWSA-N 0 0 398.301 1.957 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)C(N)=O ZINC000189547593 530916047 /nfs/dbraw/zinc/91/60/47/530916047.db2.gz FGKNXTDKJYLELZ-JTQLQIEISA-N 0 0 376.638 1.667 10 0 GDAERN CC(=O)NC1CN(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000189940229 530923424 /nfs/dbraw/zinc/92/34/24/530923424.db2.gz QDWZCWSNJCHFSX-CYBMUJFWSA-N 0 0 395.301 1.805 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190634626 530934572 /nfs/dbraw/zinc/93/45/72/530934572.db2.gz PBPLHSVVQCIXJE-LBPRGKRZSA-N 0 0 382.258 1.741 10 0 GDAERN CC1(C)CN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CCS1(=O)=O ZINC000119478536 530926676 /nfs/dbraw/zinc/92/66/76/530926676.db2.gz CROAPOMCLJOOCO-VIFPVBQESA-N 0 0 379.404 1.569 10 0 GDAERN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000119566697 530928085 /nfs/dbraw/zinc/92/80/85/530928085.db2.gz OMMWJKLKULWWSX-MRXNPFEDSA-N 0 0 384.454 1.829 10 0 GDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000190335696 530928194 /nfs/dbraw/zinc/92/81/94/530928194.db2.gz WLONPMCIFVDRSU-GFCCVEGCSA-N 0 0 399.216 1.641 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cncc(I)c1)CC2 ZINC000121534564 530958020 /nfs/dbraw/zinc/95/80/20/530958020.db2.gz VCECXWWYVZEQRK-NSHDSACASA-N 0 0 397.220 1.585 10 0 GDAERN C[C@H]1CCS(=O)(=O)CCN1C[C@H](O)COc1cccc(Br)c1 ZINC000192087481 530961114 /nfs/dbraw/zinc/96/11/14/530961114.db2.gz ANJMOVPPOATPQI-JSGCOSHPSA-N 0 0 392.315 1.698 10 0 GDAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000192098429 530961651 /nfs/dbraw/zinc/96/16/51/530961651.db2.gz JJMHMBFGKRRLHN-JTQLQIEISA-N 0 0 387.267 1.057 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000120275781 530938275 /nfs/dbraw/zinc/93/82/75/530938275.db2.gz ZUMLORLMEUUFOH-NSHDSACASA-N 0 0 381.376 1.536 10 0 GDAERN Cn1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1C(N)=O ZINC000122002551 530965173 /nfs/dbraw/zinc/96/51/73/530965173.db2.gz WOAMPVZBGPVQQU-CYBMUJFWSA-N 0 0 375.372 1.576 10 0 GDAERN O=S(=O)(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)nc1 ZINC000121384646 530955861 /nfs/dbraw/zinc/95/58/61/530955861.db2.gz NZVJRSOFYDIIHP-CABCVRRESA-N 0 0 381.885 1.649 10 0 GDAERN CC[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1C[C@@H](C)O ZINC000122700862 530974890 /nfs/dbraw/zinc/97/48/90/530974890.db2.gz CQKDGVGHQDFLBK-GHMZBOCLSA-N 0 0 382.313 1.854 10 0 GDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@H]1CCCO1 ZINC000192957314 530977418 /nfs/dbraw/zinc/97/74/18/530977418.db2.gz WUDAONXQFAVNLM-PSASIEDQSA-N 0 0 389.193 1.308 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CCN1CCOC ZINC000193278337 530982958 /nfs/dbraw/zinc/98/29/58/530982958.db2.gz IUJRBNHFUSBGMB-CYBMUJFWSA-N 0 0 399.289 1.352 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)Cc2cccc(I)c2)C1 ZINC000123885749 530988354 /nfs/dbraw/zinc/98/83/54/530988354.db2.gz KAIUXVZBXCMRQM-CQSZACIVSA-N 0 0 386.233 1.961 10 0 GDAERN CN(C)c1noc([C@@H]2CCCN(C(=O)c3cc(Br)nn3C)C2)n1 ZINC000194503107 531005809 /nfs/dbraw/zinc/00/58/09/531005809.db2.gz UJAGCXQBHJDKHV-SECBINFHSA-N 0 0 383.250 1.651 10 0 GDAERN O=C(COc1cccc(I)c1)N[C@@H]1CCc2ncnn2C1 ZINC000194601196 531007335 /nfs/dbraw/zinc/00/73/35/531007335.db2.gz DYBIYKXVGMUEIO-LLVKDONJSA-N 0 0 398.204 1.393 10 0 GDAERN CN1CCO[C@@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000194634980 531007744 /nfs/dbraw/zinc/00/77/44/531007744.db2.gz RYKMRYYZFRIGFU-TZNOJPMFSA-N 0 0 376.194 1.344 10 0 GDAERN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000126353645 531017943 /nfs/dbraw/zinc/01/79/43/531017943.db2.gz JSMYDQIRQMSWSL-ZJUUUORDSA-N 0 0 388.852 1.757 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](C)CO1 ZINC000124803988 530999766 /nfs/dbraw/zinc/99/97/66/530999766.db2.gz MVMYVUNOAFCQLK-NXEZZACHSA-N 0 0 383.301 1.744 10 0 GDAERN Cc1c(C(=O)N[C@@H](C)[C@H]2CCCO2)cc(Br)cc1S(N)(=O)=O ZINC000125063352 531002605 /nfs/dbraw/zinc/00/26/05/531002605.db2.gz CLEZZHSLPNLWEA-JOYOIKCWSA-N 0 0 391.287 1.702 10 0 GDAERN Cc1c(C(=O)N[C@H](C)[C@@H]2CCCO2)cc(Br)cc1S(N)(=O)=O ZINC000125063167 531002778 /nfs/dbraw/zinc/00/27/78/531002778.db2.gz CLEZZHSLPNLWEA-SKDRFNHKSA-N 0 0 391.287 1.702 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccncc1I ZINC000130591417 531062545 /nfs/dbraw/zinc/06/25/45/531062545.db2.gz MFIFHYUDRAKOOS-LLVKDONJSA-N 0 0 387.221 1.279 10 0 GDAERN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CNC(=O)C1 ZINC000246514844 531067393 /nfs/dbraw/zinc/06/73/93/531067393.db2.gz KAKFRVSVYYZRJF-WCBMZHEXSA-N 0 0 376.766 1.585 10 0 GDAERN C[C@](O)(CN1CCO[C@@H](c2nccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000245614307 531058795 /nfs/dbraw/zinc/05/87/95/531058795.db2.gz XGDVMMBURHTGTB-WBVHZDCISA-N 0 0 382.507 1.828 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Cl)cc(Br)c1 ZINC000132460027 531080518 /nfs/dbraw/zinc/08/05/18/531080518.db2.gz WZSUNXORXGUCLB-CYBMUJFWSA-N 0 0 377.666 1.525 10 0 GDAERN O=C(CCCc1ccccc1Br)NC[C@H](O)CN1CCOCC1 ZINC000132670618 531082842 /nfs/dbraw/zinc/08/28/42/531082842.db2.gz ZLJHBMSIGURIEH-HNNXBMFYSA-N 0 0 385.302 1.581 10 0 GDAERN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H](O)C1 ZINC000249115416 531084655 /nfs/dbraw/zinc/08/46/55/531084655.db2.gz QUTDDOLVSDEJCO-UKRRQHHQSA-N 0 0 386.901 1.724 10 0 GDAERN COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000249423193 531086937 /nfs/dbraw/zinc/08/69/37/531086937.db2.gz XKWNHLJABIJSJH-MJBXVCDLSA-N 0 0 376.222 1.620 10 0 GDAERN Cc1csc([C@H]2COCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000251479105 531090536 /nfs/dbraw/zinc/09/05/36/531090536.db2.gz CZIBLWUZBGVOIJ-HZPDHXFCSA-N 0 0 382.507 1.962 10 0 GDAERN Cc1csc([C@@H]2COCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000251479107 531090566 /nfs/dbraw/zinc/09/05/66/531090566.db2.gz CZIBLWUZBGVOIJ-JKSUJKDBSA-N 0 0 382.507 1.962 10 0 GDAERN Cc1cc(C)n(C[C@@H]2CN(c3cnn(C)c(=O)c3Br)CCO2)n1 ZINC000261484212 531093633 /nfs/dbraw/zinc/09/36/33/531093633.db2.gz ZBDQOIGUOYKJMR-LBPRGKRZSA-N 0 0 382.262 1.262 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(Cl)s3)CC2)[C@@H](C)CO1 ZINC000246705847 531069742 /nfs/dbraw/zinc/06/97/42/531069742.db2.gz ZPHGFBVSXMIGIC-QWHCGFSZSA-N 0 0 393.962 1.873 10 0 GDAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136436329 531114890 /nfs/dbraw/zinc/11/48/90/531114890.db2.gz UNUVIIMKLVYAJU-UHFFFAOYSA-N 0 0 380.239 1.732 10 0 GDAERN O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000141497773 531122348 /nfs/dbraw/zinc/12/23/48/531122348.db2.gz BIARSXXBAVFUFL-OLZOCXBDSA-N 0 0 380.246 1.388 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000151082880 531133538 /nfs/dbraw/zinc/13/35/38/531133538.db2.gz QQLAHTREVHZVMZ-SNVBAGLBSA-N 0 0 395.261 1.958 10 0 GDAERN O=C(CCOc1cccc(Br)c1)NC[C@@H](O)CN1CCOCC1 ZINC000154138402 531178799 /nfs/dbraw/zinc/17/87/99/531178799.db2.gz NSKPZIPSQSPINU-CQSZACIVSA-N 0 0 387.274 1.027 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CCN1CCOC ZINC000154139728 531178658 /nfs/dbraw/zinc/17/86/58/531178658.db2.gz LSCQQNVPCSAUGW-CQSZACIVSA-N 0 0 399.289 1.352 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000154383175 531182864 /nfs/dbraw/zinc/18/28/64/531182864.db2.gz FOIIREHPBMIJSP-LLVKDONJSA-N 0 0 378.230 1.939 10 0 GDAERN CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000154334709 531182224 /nfs/dbraw/zinc/18/22/24/531182224.db2.gz QOEMHJOUKNIXTN-AAEUAGOBSA-N 0 0 384.479 1.978 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000155212634 531197620 /nfs/dbraw/zinc/19/76/20/531197620.db2.gz TUKHLOGHDXKIKP-LLVKDONJSA-N 0 0 388.649 1.778 10 0 GDAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000155687984 531202395 /nfs/dbraw/zinc/20/23/95/531202395.db2.gz QTMYAFMJKBFGIV-MMODKWEGSA-N 0 0 394.269 1.875 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)C[S@@](=O)Cc2ccc(Br)s2)C1 ZINC000155775353 531202731 /nfs/dbraw/zinc/20/27/31/531202731.db2.gz 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CCCCc1ccc(C(=O)N2CCn3nc(C(=O)N4CCOCC4)cc3C2)nc1 ZINC000065386484 205234072 /nfs/dbraw/zinc/23/40/72/205234072.db2.gz HZYFSWRSCVCLRB-UHFFFAOYSA-N 0 0 397.479 1.749 10 0 GDAERN COc1ccc(OC2CCN(C(=O)C3CCN(CC(N)=O)CC3)CC2)cc1 ZINC000077524024 205365477 /nfs/dbraw/zinc/36/54/77/205365477.db2.gz ZCCNGEWWQUFEQU-UHFFFAOYSA-N 0 0 375.469 1.262 10 0 GDAERN CCn1ncc(NC(=O)COc2cccc(C)c2C)c(N2CCOCC2)c1=O ZINC000065307284 136162938 /nfs/dbraw/zinc/16/29/38/136162938.db2.gz RHBPYQQNKQYZST-UHFFFAOYSA-N 0 0 386.452 1.734 10 0 GDAERN CCn1c2ccccc2nc(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)c1=O ZINC000064926616 536006220 /nfs/dbraw/zinc/00/62/20/536006220.db2.gz KCBMLVLVPXSUPN-MRXNPFEDSA-N 0 0 383.496 1.407 10 0 GDAERN CCS(=O)(=O)Nc1cc(-n2nnn(CCCF)c2=O)c(F)cc1Cl ZINC000001532154 560181557 /nfs/dbraw/zinc/18/15/57/560181557.db2.gz FDNBWBAHQKZDSN-UHFFFAOYSA-N 0 0 381.792 1.343 10 0 in-vitro GDAERN O=C(CO)N1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]2C1 ZINC000004235980 560197650 /nfs/dbraw/zinc/19/76/50/560197650.db2.gz 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CCOc1cc(NC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)ncn1 ZINC000583622887 570802778 /nfs/dbraw/zinc/80/27/78/570802778.db2.gz BHQVDFPWABJDKA-CQSZACIVSA-N 0 0 386.456 1.219 10 0 GDAERN NC(=O)CN1CCC(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000092066024 571043445 /nfs/dbraw/zinc/04/34/45/571043445.db2.gz NQNQVZABFQEITE-UHFFFAOYSA-N 0 0 376.844 1.809 10 0 GDAERN CCc1noc([C@H](C)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)n1 ZINC000112071145 644630407 /nfs/dbraw/zinc/63/04/07/644630407.db2.gz HDLMZIKSSVYWIF-JTQLQIEISA-N 0 0 387.271 1.832 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(CCCNS(=O)(=O)CC)CC1 ZINC000132635206 644749691 /nfs/dbraw/zinc/74/96/91/644749691.db2.gz NDKGULHUYONCEW-UHFFFAOYSA-N 0 0 391.969 1.083 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(CCS(=O)(=O)C(C)C)CC1 ZINC000178223260 644922999 /nfs/dbraw/zinc/92/29/99/644922999.db2.gz QAIRALIBMRPRSK-UHFFFAOYSA-N 0 0 376.954 1.577 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246596360 645095919 /nfs/dbraw/zinc/09/59/19/645095919.db2.gz 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CCc1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000119226507 530923414 /nfs/dbraw/zinc/92/34/14/530923414.db2.gz WBMVFGIDDIJUDL-ZUZCIYMTSA-N 0 0 396.264 1.873 10 0 GDAERN CCc1cnc(CNC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)s1 ZINC000190294751 530928488 /nfs/dbraw/zinc/92/84/88/530928488.db2.gz DPCIDSPKDBMCJP-CYBMUJFWSA-N 0 0 383.499 1.120 10 0 GDAERN C[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)c1nnc2n1CCCC2 ZINC000121709981 530960018 /nfs/dbraw/zinc/96/00/18/530960018.db2.gz KQNZKBJIHQFHMJ-JTQLQIEISA-N 0 0 380.861 1.955 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121891370 530963784 /nfs/dbraw/zinc/96/37/84/530963784.db2.gz WYHFTDRTTUPVDO-NHYWBVRUSA-N 0 0 392.930 1.833 10 0 GDAERN C[C@@H](CNC(=O)Cc1cccc(I)c1)N1CCOCC1 ZINC000121905614 530964117 /nfs/dbraw/zinc/96/41/17/530964117.db2.gz HAMYVHJOXOTMIP-LBPRGKRZSA-N 0 0 388.249 1.671 10 0 GDAERN O=C(c1cncc(I)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000120484862 530940972 /nfs/dbraw/zinc/94/09/72/530940972.db2.gz 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/nfs/dbraw/zinc/98/69/88/530986988.db2.gz UENLZVQYCTTXPJ-UHFFFAOYSA-N 0 0 378.479 1.826 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)ncc1Br ZINC000193479147 530988067 /nfs/dbraw/zinc/98/80/67/530988067.db2.gz SBCGUJLZVNIBBE-UKRRQHHQSA-N 0 0 390.237 1.866 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000126463599 531018173 /nfs/dbraw/zinc/01/81/73/531018173.db2.gz HUBVZNFFVCKHIT-CQSZACIVSA-N 0 0 381.885 1.886 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000195428174 531022437 /nfs/dbraw/zinc/02/24/37/531022437.db2.gz OVLAGRRKVALOQH-UHFFFAOYSA-N 0 0 375.813 1.600 10 0 GDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000194269857 531002047 /nfs/dbraw/zinc/00/20/47/531002047.db2.gz ZOOQXFCLZFKFKJ-RUZDIDTESA-N 0 0 385.877 1.351 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)sc1Br ZINC000245528644 531057183 /nfs/dbraw/zinc/05/71/83/531057183.db2.gz FFBNLJPOFPCSIC-BDAKNGLRSA-N 0 0 398.348 1.290 10 0 GDAERN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(S(C)(=O)=O)cs2)C[C@@H](C)O1 ZINC000245565571 531058586 /nfs/dbraw/zinc/05/85/86/531058586.db2.gz DRNIVOWPVLOCHO-MGPQQGTHSA-N 0 0 386.539 1.865 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(F)c(F)cc1Br ZINC000133103328 531087741 /nfs/dbraw/zinc/08/77/41/531087741.db2.gz SLGDSMOIOQGIMJ-SECBINFHSA-N 0 0 379.201 1.150 10 0 GDAERN O=S(=O)(c1ccccc1Cl)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703033 531103248 /nfs/dbraw/zinc/10/32/48/531103248.db2.gz MBSHBHJXPNLKLO-GFCCVEGCSA-N 0 0 378.903 1.529 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)[C@@H](C)CO1 ZINC000246705627 531069714 /nfs/dbraw/zinc/06/97/14/531069714.db2.gz ZOJDEUONFCQNKQ-WOSRLPQWSA-N 0 0 375.922 1.886 10 0 GDAERN O=C(c1coc(Br)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136421898 531114981 /nfs/dbraw/zinc/11/49/81/531114981.db2.gz WDOSPXRTWJHPGD-UHFFFAOYSA-N 0 0 377.202 1.442 10 0 GDAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000263441358 531144095 /nfs/dbraw/zinc/14/40/95/531144095.db2.gz PVANDTZBQYCFEG-DZGCQCFKSA-N 0 0 391.251 1.271 10 0 GDAERN O=C(c1cc(I)ccc1Cl)N1CCS(=O)(=O)CC1 ZINC000153912067 531173652 /nfs/dbraw/zinc/17/36/52/531173652.db2.gz FUABSKUBNQPDFV-UHFFFAOYSA-N 0 0 399.637 1.815 10 0 GDAERN COCCN1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000154968460 531192989 /nfs/dbraw/zinc/19/29/89/531192989.db2.gz LYXDSJYBGKHYPT-ZDUSSCGKSA-N 0 0 398.301 1.358 10 0 GDAERN O=S(=O)(NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000156013984 531203796 /nfs/dbraw/zinc/20/37/96/531203796.db2.gz MKEPHVHUXOQSLW-CYBMUJFWSA-N 0 0 384.885 1.465 10 0 GDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)c1 ZINC000408028038 531211680 /nfs/dbraw/zinc/21/16/80/531211680.db2.gz CFIKSGCKTIQFGQ-QGZVFWFLSA-N 0 0 386.901 1.786 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1Cl ZINC000408031314 531213243 /nfs/dbraw/zinc/21/32/43/531213243.db2.gz MEMGEWPVPHYAPG-QGZVFWFLSA-N 0 0 386.901 1.786 10 0 GDAERN O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCC[C@@](F)(CO)C1 ZINC000408119492 531220695 /nfs/dbraw/zinc/22/06/95/531220695.db2.gz JSCSBNWKIJKNFC-BBRMVZONSA-N 0 0 390.502 1.614 10 0 GDAERN C[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000408123464 531220832 /nfs/dbraw/zinc/22/08/32/531220832.db2.gz PEERCLLNHJJNJE-GFCCVEGCSA-N 0 0 376.500 1.096 10 0 GDAERN Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCO2)cn1 ZINC000408216242 531226484 /nfs/dbraw/zinc/22/64/84/531226484.db2.gz VUGWYGIWGHJLAC-SNVBAGLBSA-N 0 0 376.232 1.538 10 0 GDAERN O=S(=O)(CC(F)(F)F)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000408255796 531229812 /nfs/dbraw/zinc/22/98/12/531229812.db2.gz KAPQIASVKYXXHA-UHFFFAOYSA-N 0 0 398.354 1.961 10 0 GDAERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000408238879 531228382 /nfs/dbraw/zinc/22/83/82/531228382.db2.gz YSORESJRLXDTQB-ZJIFWQFVSA-N 0 0 375.535 1.357 10 0 GDAERN CS(=O)(=O)c1cc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)ccc1Cl ZINC000408284526 531231126 /nfs/dbraw/zinc/23/11/26/531231126.db2.gz AHEJGCYRIXAAOV-INIZCTEOSA-N 0 0 385.873 1.878 10 0 GDAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408309812 531231672 /nfs/dbraw/zinc/23/16/72/531231672.db2.gz ZEORIAOJRPWGEU-GXTWGEPZSA-N 0 0 386.436 1.497 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408305378 531232003 /nfs/dbraw/zinc/23/20/03/531232003.db2.gz JJZITSAYYYXFAI-LLVKDONJSA-N 0 0 394.151 1.416 10 0 GDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000408423871 531239447 /nfs/dbraw/zinc/23/94/47/531239447.db2.gz BOXLKIDQVMGPJW-DGCLKSJQSA-N 0 0 396.289 1.343 10 0 GDAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000408409158 531239452 /nfs/dbraw/zinc/23/94/52/531239452.db2.gz UIKFEARKPXSAQY-PWSUYJOCSA-N 0 0 386.440 1.335 10 0 GDAERN CN(C)c1ccc(Br)c(S(=O)(=O)N2CC(=O)NCC2(C)C)c1 ZINC000282185589 531718560 /nfs/dbraw/zinc/71/85/60/531718560.db2.gz ZSDWNWPRZOBVHZ-UHFFFAOYSA-N 0 0 390.303 1.414 10 0 GDAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000270684357 531909946 /nfs/dbraw/zinc/90/99/46/531909946.db2.gz UBYMCRCGDKLSQV-DOMZBBRYSA-N 0 0 387.889 1.533 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000284879673 532002263 /nfs/dbraw/zinc/00/22/63/532002263.db2.gz ZICGPSUPGWKYPB-PWSUYJOCSA-N 0 0 391.287 1.329 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1=O ZINC000285577315 532096048 /nfs/dbraw/zinc/09/60/48/532096048.db2.gz BFHXJVKQZGJNDF-QWHCGFSZSA-N 0 0 385.262 1.085 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](C)Sc3ccccc32)N(S(C)(=O)=O)C1 ZINC000333363473 532231217 /nfs/dbraw/zinc/23/12/17/532231217.db2.gz YABGTBZCRWVANV-KCQAQPDRSA-N 0 0 384.523 1.953 10 0 GDAERN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000333442413 532235481 /nfs/dbraw/zinc/23/54/81/532235481.db2.gz PXHQIQCFSLWDBO-BLLLJJGKSA-N 0 0 375.487 1.947 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000333140189 532221598 /nfs/dbraw/zinc/22/15/98/532221598.db2.gz KDXWJAIKJHQJLF-HUUCEWRRSA-N 0 0 390.571 1.752 10 0 GDAERN C[C@H]1CCCc2nc(S(=O)(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)cn21 ZINC000333227844 532226307 /nfs/dbraw/zinc/22/63/07/532226307.db2.gz XRMUWYHHTSSLED-YNEHKIRRSA-N 0 0 375.516 1.415 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)N(S(C)(=O)=O)C1 ZINC000333501549 532238848 /nfs/dbraw/zinc/23/88/48/532238848.db2.gz CQINEOUKLOHAIN-VHRBIJSZSA-N 0 0 388.873 1.503 10 0 GDAERN O=C(Nc1nc2cc(Br)ccn2n1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333903753 532255822 /nfs/dbraw/zinc/25/58/22/532255822.db2.gz CBNZWDZARMMZJJ-JBLDHEPKSA-N 0 0 380.246 2.117 10 0 GDAERN CC(=O)O[C@H]1[C@H](C)O[C@@H](Sc2ccccn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004179132 204032154 /nfs/dbraw/zinc/03/21/54/204032154.db2.gz XBKOQNIEZLQWIR-ODONNLBESA-N 0 0 383.422 1.714 10 0 GDAERN Cc1cccc(N2CCN(C(=O)Cn3c(=O)[nH]c4ccsc4c3=O)C[C@H]2C)c1 ZINC000004763984 204074472 /nfs/dbraw/zinc/07/44/72/204074472.db2.gz 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CS(=O)(=O)N1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000067897625 204326121 /nfs/dbraw/zinc/32/61/21/204326121.db2.gz MAXOWCJCFDKQEN-OLZOCXBDSA-N 0 0 378.372 1.077 10 0 GDAERN CNC(=O)c1ccc(NC(=O)Cn2c3cc(C)nn3c3ccccc3c2=O)cc1 ZINC000032909174 204927966 /nfs/dbraw/zinc/92/79/66/204927966.db2.gz KYBIANRQAFJCPR-UHFFFAOYSA-N 0 0 389.415 1.956 10 0 GDAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)N1CCC(O)CC1 ZINC000055153067 205143222 /nfs/dbraw/zinc/14/32/22/205143222.db2.gz XMRYMKHWIYGYOF-INIZCTEOSA-N 0 0 383.851 1.153 10 0 GDAERN O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCC1(O)CCCCC1 ZINC000055386525 205149764 /nfs/dbraw/zinc/14/97/64/205149764.db2.gz UUAYUVNHTLGDHJ-VQFGERMISA-N 0 0 385.508 1.702 10 0 GDAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NC1CCOCC1 ZINC000064040565 205189171 /nfs/dbraw/zinc/18/91/71/205189171.db2.gz UOFXUKRSRKHWHF-INIZCTEOSA-N 0 0 383.851 1.465 10 0 GDAERN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3c(C)noc3C)C1)C(=O)N2 ZINC000065249005 205222493 /nfs/dbraw/zinc/22/24/93/205222493.db2.gz OPZSIPFGBATONN-KRWDZBQOSA-N 0 0 377.422 1.585 10 0 GDAERN CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21 ZINC000082039421 205385118 /nfs/dbraw/zinc/38/51/18/205385118.db2.gz WVAAGHGWNMZOON-IBGZPJMESA-N 0 0 383.492 1.665 10 0 GDAERN CNC(=O)[C@@H](c1ccccc1OC)N1CCC[C@H]1C(=O)NC1CCOCC1 ZINC000096113109 206117220 /nfs/dbraw/zinc/11/72/20/206117220.db2.gz HQHKQHPOBMNJDZ-FUHWJXTLSA-N 0 0 375.469 1.242 10 0 biogenic GDAERN COc1ccccc1OCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1 ZINC000065313887 570796333 /nfs/dbraw/zinc/79/63/33/570796333.db2.gz DGBZSYUFAHCEJB-HNNXBMFYSA-N 0 0 386.452 1.201 10 0 GDAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H](c4ncno4)C3)cc21 ZINC000170606654 570864977 /nfs/dbraw/zinc/86/49/77/570864977.db2.gz FPUCPDPCVMXMDR-AWEZNQCLSA-N 0 0 376.438 1.547 10 0 GDAERN CC(C)CCNC(=O)C(=O)Nc1cccc(NC(=O)C(=O)NCCC(C)C)c1 ZINC000015014241 570871721 /nfs/dbraw/zinc/87/17/21/570871721.db2.gz KNXYVTQVEYACRK-UHFFFAOYSA-N 0 0 390.484 1.888 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000097015527 570886615 /nfs/dbraw/zinc/88/66/15/570886615.db2.gz ASNRFHOZODEIOV-OAHLLOKOSA-N 0 0 396.490 1.717 10 0 GDAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NC1CCOCC1 ZINC000023128412 570914886 /nfs/dbraw/zinc/91/48/86/570914886.db2.gz IZRJMBAXSLLLQQ-HXUWFJFHSA-N 0 0 381.476 1.826 10 0 GDAERN CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000071188825 644587413 /nfs/dbraw/zinc/58/74/13/644587413.db2.gz YIOZEACGISAWDT-MRVPVSSYSA-N 0 0 397.316 1.781 10 0 GDAERN CCc1noc([C@@H](C)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)n1 ZINC000112071143 644630299 /nfs/dbraw/zinc/63/02/99/644630299.db2.gz HDLMZIKSSVYWIF-SNVBAGLBSA-N 0 0 387.271 1.832 10 0 GDAERN CCN1CCO[C@@H](CNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000134702861 644760772 /nfs/dbraw/zinc/76/07/72/644760772.db2.gz GWXQZTUKCXUNOP-JTQLQIEISA-N 0 0 398.710 1.497 10 0 GDAERN CN(CCNS(=O)(=O)/C=C/c1ccccc1)S(=O)(=O)c1cccs1 ZINC000157490995 644830340 /nfs/dbraw/zinc/83/03/40/644830340.db2.gz PYXUZCQEZLDUIH-UKTHLTGXSA-N 0 0 386.520 1.959 10 0 GDAERN Cc1c([C@H](C)NS(=O)(=O)CCS(C)(=O)=O)cnn1-c1ccc(F)cc1 ZINC000173011797 644886870 /nfs/dbraw/zinc/88/68/70/644886870.db2.gz LAIIWBZLTFUGLL-NSHDSACASA-N 0 0 389.474 1.345 10 0 GDAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC(NC(C)=O)C1 ZINC000188566949 645006685 /nfs/dbraw/zinc/00/66/85/645006685.db2.gz MWTVXFSEFCYHAN-UHFFFAOYSA-N 0 0 397.678 1.620 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@H]1C ZINC000230901088 645077911 /nfs/dbraw/zinc/07/79/11/645077911.db2.gz CERHPHMQDBLPON-SCZZXKLOSA-N 0 0 389.189 1.878 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@H]1C ZINC000246889830 645096294 /nfs/dbraw/zinc/09/62/94/645096294.db2.gz XEQUEBZOAYPQHQ-ZJUUUORDSA-N 0 0 382.454 1.272 10 0 GDAERN C[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc2c(c1)OCCO2 ZINC000328727012 645274641 /nfs/dbraw/zinc/27/46/41/645274641.db2.gz UWKPIWXQYFNHNL-LLVKDONJSA-N 0 0 375.468 1.015 10 0 GDAERN O=S1(=O)CC[C@H]2CN(C[C@H](O)COc3c(Cl)cccc3Cl)C[C@H]21 ZINC000329196397 645301912 /nfs/dbraw/zinc/30/19/12/645301912.db2.gz USSAKKPXUMHGEO-COPLHBTASA-N 0 0 380.293 1.852 10 0 GDAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000329350390 645308124 /nfs/dbraw/zinc/30/81/24/645308124.db2.gz FAVVUDMLRIKBQO-KBPBESRZSA-N 0 0 387.527 1.637 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3[nH]nc(C4CC4)c3Br)CCO2)[nH]1 ZINC000329808661 645329580 /nfs/dbraw/zinc/32/95/80/645329580.db2.gz MARBCQYXPHSAKM-VIFPVBQESA-N 0 0 381.234 1.690 10 0 GDAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1S(C)(=O)=O ZINC000455020295 647368143 /nfs/dbraw/zinc/36/81/43/647368143.db2.gz HJDUKKWVUGFFEC-ZIAGYGMSSA-N 0 0 388.511 1.876 10 0 GDAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(I)c(Cl)c1 ZINC000600588917 652546567 /nfs/dbraw/zinc/54/65/67/652546567.db2.gz GDAJKDNHJNWDKL-WDEREUQCSA-N 0 0 381.597 1.824 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCO[C@H]3CCN(C)C[C@H]32)n1 ZINC000893767679 658444926 /nfs/dbraw/zinc/44/49/26/658444926.db2.gz GSUHDRXFNFDSCV-NEPJUHHUSA-N 0 0 385.262 1.325 10 0 GDAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2cn(C)nc2I)C1 ZINC000894727405 658601040 /nfs/dbraw/zinc/60/10/40/658601040.db2.gz KKZNOOOQIVYELE-ZJUUUORDSA-N 0 0 388.213 1.105 10 0 GDAERN CS(=O)(=O)N1CC(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000907782482 659829778 /nfs/dbraw/zinc/82/97/78/659829778.db2.gz ZVJZNHQXZNCLNV-VIFPVBQESA-N 0 0 380.392 1.026 10 0 GDAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000911372515 660005859 /nfs/dbraw/zinc/00/58/59/660005859.db2.gz RPFRUGRYEVNSAR-PWSUYJOCSA-N 0 0 391.229 1.817 10 0 GDAERN COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(F)(F)F)cc1 ZINC000913021337 660064090 /nfs/dbraw/zinc/06/40/90/660064090.db2.gz LKJHCGBPDZJTSS-CYBMUJFWSA-N 0 0 380.388 1.778 10 0 GDAERN C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC1 ZINC000701765506 954886481 /nfs/dbraw/zinc/88/64/81/954886481.db2.gz HMHFAZAJONTXRG-INIZCTEOSA-N 0 0 381.498 1.425 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689250945 968894160 /nfs/dbraw/zinc/89/41/60/968894160.db2.gz QTUAIFOVXZBLST-XIRDDKMYSA-N 0 0 381.498 1.280 10 0 GDAERN COCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000162188675 530566501 /nfs/dbraw/zinc/56/65/01/530566501.db2.gz URAXDRRCVXYBNZ-UHFFFAOYSA-N 0 0 381.281 1.781 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2[nH]c1=O ZINC000023395300 530574499 /nfs/dbraw/zinc/57/44/99/530574499.db2.gz IDPVOEULRYCZEW-MRVPVSSYSA-N 0 0 377.344 1.179 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000170812537 530589656 /nfs/dbraw/zinc/58/96/56/530589656.db2.gz OUWLIXFKNMFXIQ-CYBMUJFWSA-N 0 0 389.315 1.853 10 0 GDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000027849230 530589772 /nfs/dbraw/zinc/58/97/72/530589772.db2.gz NOWLNXLFFADDDL-YUMQZZPRSA-N 0 0 398.179 1.536 10 0 GDAERN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171770673 530602879 /nfs/dbraw/zinc/60/28/79/530602879.db2.gz DAVSLVYCCCTGSJ-LLVKDONJSA-N 0 0 378.903 1.212 10 0 GDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)c1 ZINC000171834769 530604197 /nfs/dbraw/zinc/60/41/97/530604197.db2.gz KBBIRVQZWXIKAE-LLVKDONJSA-N 0 0 391.280 1.983 10 0 GDAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173351267 530628488 /nfs/dbraw/zinc/62/84/88/530628488.db2.gz YBLOVFRVEIVXAP-AWEZNQCLSA-N 0 0 382.258 1.321 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000173401539 530629610 /nfs/dbraw/zinc/62/96/10/530629610.db2.gz HOMSIGCJEPQSRN-WBMJQRKESA-N 0 0 386.901 1.536 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000173401580 530629822 /nfs/dbraw/zinc/62/98/22/530629822.db2.gz HOMSIGCJEPQSRN-BLLLJJGKSA-N 0 0 386.901 1.536 10 0 GDAERN CC[C@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000173455559 530630548 /nfs/dbraw/zinc/63/05/48/530630548.db2.gz CEZDEYXDJZZXFT-SWLSCSKDSA-N 0 0 388.281 1.503 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000173840715 530638317 /nfs/dbraw/zinc/63/83/17/530638317.db2.gz XJCXZHGCWGYPOC-CQSZACIVSA-N 0 0 383.495 1.448 10 0 GDAERN C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@H]1N1CCOCC1 ZINC000173845879 530638595 /nfs/dbraw/zinc/63/85/95/530638595.db2.gz BMFJEWQXLYEIQL-GHMZBOCLSA-N 0 0 394.465 1.537 10 0 GDAERN CCc1csc([C@@H]2CCCN(CCNS(=O)(=O)CCCOC)C2)n1 ZINC000175147512 530659252 /nfs/dbraw/zinc/65/92/52/530659252.db2.gz HVWHHMPLMMPWFX-CQSZACIVSA-N 0 0 375.560 1.841 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)o1 ZINC000175430453 530665679 /nfs/dbraw/zinc/66/56/79/530665679.db2.gz XNPTVPZYPBKSQX-LBPRGKRZSA-N 0 0 395.257 1.968 10 0 GDAERN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@@H](c2nccs2)C1 ZINC000176185135 530678240 /nfs/dbraw/zinc/67/82/40/530678240.db2.gz RDIBNLPMOUEXQT-BXUZGUMPSA-N 0 0 378.479 1.579 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000177206269 530699205 /nfs/dbraw/zinc/69/92/05/530699205.db2.gz AGTBLDNCLLIHNN-CQSZACIVSA-N 0 0 382.511 1.613 10 0 GDAERN CNC(=O)[C@H](NC(=O)NCC(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000178455567 530720772 /nfs/dbraw/zinc/72/07/72/530720772.db2.gz WRRGESPETVMHPH-CQSZACIVSA-N 0 0 399.289 1.766 10 0 GDAERN O=C(Nc1ccccc1Br)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177654199 530707838 /nfs/dbraw/zinc/70/78/38/530707838.db2.gz VUCBOLSDSRBUGT-LBPRGKRZSA-N 0 0 393.241 1.512 10 0 GDAERN O=C(c1ccc2ncc(I)n2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176520493 530684587 /nfs/dbraw/zinc/68/45/87/530684587.db2.gz QUGWTNYIQZKTNI-LBPRGKRZSA-N 0 0 396.232 1.859 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(OC)c(I)c1)C(C)C ZINC000178680280 530725304 /nfs/dbraw/zinc/72/53/04/530725304.db2.gz GVCAKDSXOOQKKE-GFCCVEGCSA-N 0 0 390.221 1.800 10 0 GDAERN CC(C)[C@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000178867072 530729176 /nfs/dbraw/zinc/72/91/76/530729176.db2.gz JECNWHBSLLULQU-CQSZACIVSA-N 0 0 376.425 1.205 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000180217584 530760692 /nfs/dbraw/zinc/76/06/92/530760692.db2.gz 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CCOC(=O)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1cccc(Br)c1 ZINC000182755004 530804061 /nfs/dbraw/zinc/80/40/61/530804061.db2.gz LYBQUHHIEDUIJF-WCQYABFASA-N 0 0 383.242 1.696 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cnc1Br ZINC000182817988 530805530 /nfs/dbraw/zinc/80/55/30/530805530.db2.gz PTTMBVFHMWRIGM-ZIAGYGMSSA-N 0 0 390.237 1.866 10 0 GDAERN COC[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000103433828 530834723 /nfs/dbraw/zinc/83/47/23/530834723.db2.gz GCOJYAFUWBKKDV-NSHDSACASA-N 0 0 380.919 1.907 10 0 GDAERN O=C([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000185011538 530835216 /nfs/dbraw/zinc/83/52/16/530835216.db2.gz OATXQYLZFWXXLG-SNVBAGLBSA-N 0 0 378.372 1.872 10 0 GDAERN CCc1nnc([C@H]2CN(C(=O)c3c[nH]c(C)c(Br)c3=O)CCO2)[nH]1 ZINC000183219569 530812093 /nfs/dbraw/zinc/81/20/93/530812093.db2.gz SJHMPGGMRWOKSK-SNVBAGLBSA-N 0 0 396.245 1.752 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000183746303 530819996 /nfs/dbraw/zinc/81/99/96/530819996.db2.gz AEKCYJCSDALKGX-LBPRGKRZSA-N 0 0 388.243 1.903 10 0 GDAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000108278606 530856484 /nfs/dbraw/zinc/85/64/84/530856484.db2.gz WTSSCPFOXBHMCP-VIFPVBQESA-N 0 0 376.410 1.813 10 0 GDAERN C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000186958231 530865596 /nfs/dbraw/zinc/86/55/96/530865596.db2.gz GYPVYRRGAFQOKG-RISCZKNCSA-N 0 0 376.425 1.233 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N1CCO[C@H](c2nccs2)C1 ZINC000110878986 530870395 /nfs/dbraw/zinc/87/03/95/530870395.db2.gz VTOSZBXKFZSEIP-NSHDSACASA-N 0 0 384.255 1.667 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)CCS(=O)(=O)C3CCCC3)CC2)s1 ZINC000110940399 530871185 /nfs/dbraw/zinc/87/11/85/530871185.db2.gz YWKQUMXBJJMCGH-UHFFFAOYSA-N 0 0 385.555 1.843 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cc(I)ccc2C)C1 ZINC000185234384 530838422 /nfs/dbraw/zinc/83/84/22/530838422.db2.gz FNHLVOHTXXKDFJ-UHFFFAOYSA-N 0 0 388.205 1.187 10 0 GDAERN COCC(=O)NC1CN(C(=O)CCCOc2ccccc2Br)C1 ZINC000185239191 530838749 /nfs/dbraw/zinc/83/87/49/530838749.db2.gz YYWWVTRXHQFVNY-UHFFFAOYSA-N 0 0 385.258 1.582 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000115373202 530900027 /nfs/dbraw/zinc/90/00/27/530900027.db2.gz GXWKEVPMOBFUOY-LLVKDONJSA-N 0 0 377.226 1.148 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)N3C[C@H](CO)[C@H](c4ccsc4)C3)cc2[nH]1 ZINC000188872665 530902941 /nfs/dbraw/zinc/90/29/41/530902941.db2.gz UJAXUWZPLPETCT-YPMHNXCESA-N 0 0 379.463 1.314 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccn2c(I)cnc12 ZINC000188932720 530904062 /nfs/dbraw/zinc/90/40/62/530904062.db2.gz SDJIGEICGXKIIG-SECBINFHSA-N 0 0 398.204 1.290 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976531 530882127 /nfs/dbraw/zinc/88/21/27/530882127.db2.gz XRTZKTGLIVDURP-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1Br ZINC000188098973 530884894 /nfs/dbraw/zinc/88/48/94/530884894.db2.gz KBCMSENWLRJEEO-GFCCVEGCSA-N 0 0 384.274 1.451 10 0 GDAERN CN1CCCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000188159043 530887168 /nfs/dbraw/zinc/88/71/68/530887168.db2.gz FQXUKPYRVAZGRG-AWEZNQCLSA-N 0 0 394.269 1.493 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1Br ZINC000113299006 530889065 /nfs/dbraw/zinc/88/90/65/530889065.db2.gz VTYXDKAGEMQKPU-SECBINFHSA-N 0 0 375.223 1.473 10 0 GDAERN O=C(COc1ccc(Br)cc1F)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114854958 530896752 /nfs/dbraw/zinc/89/67/52/530896752.db2.gz JDYVBVRHMDPBBI-CYBMUJFWSA-N 0 0 387.249 1.946 10 0 GDAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000190508773 530931631 /nfs/dbraw/zinc/93/16/31/530931631.db2.gz UONBENDOYVYQLZ-CZUORRHYSA-N 0 0 386.901 1.988 10 0 GDAERN CC(=O)NC1CN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000190530006 530931671 /nfs/dbraw/zinc/93/16/71/530931671.db2.gz JMENNEBGWZSOEP-UHFFFAOYSA-N 0 0 378.597 1.905 10 0 GDAERN Cc1noc(Cl)c1CCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119922365 530932945 /nfs/dbraw/zinc/93/29/45/530932945.db2.gz MMIYINWQVJTAFB-LBPRGKRZSA-N 0 0 375.878 1.596 10 0 GDAERN O=C(c1c(Cl)nc2ccccn21)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119896957 530933234 /nfs/dbraw/zinc/93/32/34/530933234.db2.gz QLGODPVSFMNLGG-LBPRGKRZSA-N 0 0 382.873 1.628 10 0 GDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000190629284 530934043 /nfs/dbraw/zinc/93/40/43/530934043.db2.gz YMVWRYFFXBENPQ-UONOGXRCSA-N 0 0 386.901 1.988 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000117522331 530912544 /nfs/dbraw/zinc/91/25/44/530912544.db2.gz UWXWWTJCPQPSCT-CYBMUJFWSA-N 0 0 398.301 1.875 10 0 GDAERN O=C(NC1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1)C1CC1 ZINC000189405910 530912796 /nfs/dbraw/zinc/91/27/96/530912796.db2.gz NSVLCBPQJOWMPV-UHFFFAOYSA-N 0 0 389.253 1.985 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c(Cl)n1 ZINC000189749649 530919833 /nfs/dbraw/zinc/91/98/33/530919833.db2.gz CFTZUDFPZVPVPU-CQSZACIVSA-N 0 0 384.889 1.911 10 0 GDAERN CCN(CCOc1ccc(Br)cc1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189902093 530922284 /nfs/dbraw/zinc/92/22/84/530922284.db2.gz KEAPDLPEAHFFPF-GDBMZVCRSA-N 0 0 399.285 1.658 10 0 GDAERN Cc1ccccc1[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000119538884 530927553 /nfs/dbraw/zinc/92/75/53/530927553.db2.gz RBPVHNIUSOJEDZ-HNNXBMFYSA-N 0 0 382.507 1.954 10 0 GDAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000190316074 530928102 /nfs/dbraw/zinc/92/81/02/530928102.db2.gz BGJCMBFABXMVNV-AWEZNQCLSA-N 0 0 385.251 1.629 10 0 GDAERN CCc1cnc(CNC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)s1 ZINC000190294774 530928355 /nfs/dbraw/zinc/92/83/55/530928355.db2.gz DPCIDSPKDBMCJP-ZDUSSCGKSA-N 0 0 383.499 1.120 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)C(C)C ZINC000192097408 530961617 /nfs/dbraw/zinc/96/16/17/530961617.db2.gz UVVQHXRLBCYFFL-LLVKDONJSA-N 0 0 390.665 1.928 10 0 GDAERN Cn1nc(Br)cc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000192113823 530962282 /nfs/dbraw/zinc/96/22/82/530962282.db2.gz BUSKDQCMKQHCSE-HNNXBMFYSA-N 0 0 393.285 1.674 10 0 GDAERN CN(c1cccnn1)C1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000192113765 530962494 /nfs/dbraw/zinc/96/24/94/530962494.db2.gz YVXJBFXTKQHLFH-UHFFFAOYSA-N 0 0 379.262 1.714 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190666106 530935178 /nfs/dbraw/zinc/93/51/78/530935178.db2.gz MDXAHRXWBQMAHJ-LLVKDONJSA-N 0 0 382.258 1.741 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)C(C)C ZINC000190900734 530940256 /nfs/dbraw/zinc/94/02/56/530940256.db2.gz KVUJIPPPBAVCGJ-LLVKDONJSA-N 0 0 392.200 1.553 10 0 GDAERN CN1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1=O ZINC000191123969 530943822 /nfs/dbraw/zinc/94/38/22/530943822.db2.gz SLPRCGYOPXNEGX-UHFFFAOYSA-N 0 0 379.507 1.878 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000120827352 530946544 /nfs/dbraw/zinc/94/65/44/530946544.db2.gz FOAQFZNWGCBAMB-CYBMUJFWSA-N 0 0 383.495 1.392 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000191343561 530947534 /nfs/dbraw/zinc/94/75/34/530947534.db2.gz STRPOGMWRCCCQV-UHFFFAOYSA-N 0 0 378.841 1.749 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000191506480 530949595 /nfs/dbraw/zinc/94/95/95/530949595.db2.gz OFPGXCQIMJUSOR-HNNXBMFYSA-N 0 0 384.263 1.945 10 0 GDAERN CNC(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191615679 530951760 /nfs/dbraw/zinc/95/17/60/530951760.db2.gz XUMQUBWXYGNQSP-HNNXBMFYSA-N 0 0 382.302 1.996 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(Cl)c1Br ZINC000191738619 530954052 /nfs/dbraw/zinc/95/40/52/530954052.db2.gz WOTADQLKDZKVLI-SNVBAGLBSA-N 0 0 392.681 1.917 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(Cl)c1Br ZINC000191738603 530954406 /nfs/dbraw/zinc/95/44/06/530954406.db2.gz WOTADQLKDZKVLI-JTQLQIEISA-N 0 0 392.681 1.917 10 0 GDAERN C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000122653059 530974652 /nfs/dbraw/zinc/97/46/52/530974652.db2.gz IPLIIJOWBJZNJJ-BBRMVZONSA-N 0 0 385.302 1.437 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000122958220 530977653 /nfs/dbraw/zinc/97/76/53/530977653.db2.gz GBKZJJNREPTNOT-QMMMGPOBSA-N 0 0 392.200 1.113 10 0 GDAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1F ZINC000122149746 530967514 /nfs/dbraw/zinc/96/75/14/530967514.db2.gz HCFOMRHASIGRSH-LBPRGKRZSA-N 0 0 387.458 1.279 10 0 GDAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cnn(CC(F)F)c3)CCO2)n1 ZINC000193952020 530996270 /nfs/dbraw/zinc/99/62/70/530996270.db2.gz AQIRDWHCWHPASE-LLVKDONJSA-N 0 0 378.426 1.675 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CCN1C[C@@H](C)O ZINC000193471792 530987096 /nfs/dbraw/zinc/98/70/96/530987096.db2.gz AKQYIHUUUARSIT-YPMHNXCESA-N 0 0 399.289 1.086 10 0 GDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000123998072 530990278 /nfs/dbraw/zinc/99/02/78/530990278.db2.gz UEBBTGMMUYQUCQ-SKDRFNHKSA-N 0 0 378.230 1.552 10 0 GDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC(C)(C)c1nccs1 ZINC000126003316 531013144 /nfs/dbraw/zinc/01/31/44/531013144.db2.gz ZJSYKJJMCRWBNV-JTQLQIEISA-N 0 0 378.479 1.622 10 0 GDAERN COCCN(C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246015241 531062528 /nfs/dbraw/zinc/06/25/28/531062528.db2.gz KVKSMEJDQXNHDX-JHJVBQTASA-N 0 0 386.436 1.953 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@H]1C ZINC000245707603 531060057 /nfs/dbraw/zinc/06/00/57/531060057.db2.gz CAAYJFDHTWTSHU-GFCCVEGCSA-N 0 0 386.905 1.948 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)c(C)[nH]c1=O ZINC000132022973 531076917 /nfs/dbraw/zinc/07/69/17/531076917.db2.gz GLXRITCVZDCAIN-NSHDSACASA-N 0 0 396.245 1.861 10 0 GDAERN CCN(C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000248230579 531077500 /nfs/dbraw/zinc/07/75/00/531077500.db2.gz BKWSFZQYQNKBSF-UONOGXRCSA-N 0 0 384.523 1.636 10 0 GDAERN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CC[C@@H](CO)C1 ZINC000247962261 531077510 /nfs/dbraw/zinc/07/75/10/531077510.db2.gz DASZVYNTTJGHTJ-KGLIPLIRSA-N 0 0 386.901 1.582 10 0 GDAERN CNC(=O)[C@H]1CN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCO1 ZINC000248448767 531078789 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CCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 ZINC000702767933 654832737 /nfs/dbraw/zinc/83/27/37/654832737.db2.gz PSXGHMKWLMUSKU-DGCLKSJQSA-N 0 0 390.527 1.817 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000702770465 654832857 /nfs/dbraw/zinc/83/28/57/654832857.db2.gz XKVRXLHDTARQDR-BXUZGUMPSA-N 0 0 390.889 1.846 10 0 GDAERN Cc1noc([C@H]2COCCN2Cc2cn(C)nc2I)n1 ZINC000894471076 658566009 /nfs/dbraw/zinc/56/60/09/658566009.db2.gz ZRZWOCZZSTXDCF-SNVBAGLBSA-N 0 0 389.197 1.290 10 0 GDAERN Cn1ncc(I)c1CN1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000894604611 658590288 /nfs/dbraw/zinc/59/02/88/658590288.db2.gz PUYJKXBBPBVLPN-LBPRGKRZSA-N 0 0 386.241 1.237 10 0 GDAERN CS(=O)(=O)C[C@H](NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O)c1ccccc1 ZINC000900937925 659172177 /nfs/dbraw/zinc/17/21/77/659172177.db2.gz LZTMWHSZVZWFST-UYTSQGDYSA-N 0 0 381.519 1.847 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000704129679 977215178 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GDAERN O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000030675225 530600405 /nfs/dbraw/zinc/60/04/05/530600405.db2.gz WAQPTPNRHVBNEM-NWDGAFQWSA-N 0 0 379.404 1.987 10 0 GDAERN CN(CC(=O)N1CCC[C@H](c2nccs2)C1)S(=O)(=O)c1cccnc1 ZINC000171642385 530601434 /nfs/dbraw/zinc/60/14/34/530601434.db2.gz WSEZNWFQHOYODD-ZDUSSCGKSA-N 0 0 380.495 1.565 10 0 GDAERN CCN(C[C@H](O)COc1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000171836014 530604108 /nfs/dbraw/zinc/60/41/08/530604108.db2.gz GFFHUJOBIAZMMM-JSGCOSHPSA-N 0 0 394.331 1.944 10 0 GDAERN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000172389158 530612770 /nfs/dbraw/zinc/61/27/70/530612770.db2.gz TVPVLBZCZKSVKD-HNNXBMFYSA-N 0 0 378.416 1.988 10 0 GDAERN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c(Br)c1 ZINC000041601089 530622625 /nfs/dbraw/zinc/62/26/25/530622625.db2.gz VEVMNSCZAYYELL-LBPRGKRZSA-N 0 0 384.274 1.533 10 0 GDAERN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCCC[C@@H]1c1nccs1 ZINC000173379605 530629253 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COc1cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)ccc1Br ZINC000175250622 530661992 /nfs/dbraw/zinc/66/19/92/530661992.db2.gz GHBDRVHKLAPOMS-JTQLQIEISA-N 0 0 379.276 1.067 10 0 GDAERN COc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)ccc1Br ZINC000175285552 530662586 /nfs/dbraw/zinc/66/25/86/530662586.db2.gz PRZVNXQUVOTWNR-VIFPVBQESA-N 0 0 387.259 1.343 10 0 GDAERN CN(C)C[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000175653841 530668274 /nfs/dbraw/zinc/66/82/74/530668274.db2.gz SNPLYRXYWCCTMU-AWEZNQCLSA-N 0 0 391.331 1.485 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176093220 530677170 /nfs/dbraw/zinc/67/71/70/530677170.db2.gz MZRMONIPOJBTHW-SECBINFHSA-N 0 0 387.205 1.938 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@@H]1C ZINC000176849305 530692207 /nfs/dbraw/zinc/69/22/07/530692207.db2.gz INVLUFADUDAUMW-JTQLQIEISA-N 0 0 375.803 1.736 10 0 GDAERN C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000177334510 530701107 /nfs/dbraw/zinc/70/11/07/530701107.db2.gz 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530802974 /nfs/dbraw/zinc/80/29/74/530802974.db2.gz YNHDQYHIANWXNO-LLVKDONJSA-N 0 0 375.435 1.372 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000182010401 530793508 /nfs/dbraw/zinc/79/35/08/530793508.db2.gz BCLXQVZTZNMTIS-ZDUSSCGKSA-N 0 0 386.290 1.753 10 0 GDAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1cnn2cc(Br)cnc12 ZINC000094150461 530816929 /nfs/dbraw/zinc/81/69/29/530816929.db2.gz KWGNBGSHUOYHEH-LBPRGKRZSA-N 0 0 380.246 1.085 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000101532914 530824416 /nfs/dbraw/zinc/82/44/16/530824416.db2.gz FHRZSSCTYAFWAG-LLVKDONJSA-N 0 0 384.274 1.670 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000101924801 530826776 /nfs/dbraw/zinc/82/67/76/530826776.db2.gz BIAJCKHACUBTRO-LBPRGKRZSA-N 0 0 376.910 1.555 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(CC(=O)Nc2nccs2)CC1 ZINC000106159399 530846521 /nfs/dbraw/zinc/84/65/21/530846521.db2.gz JWUIECHPZPWWBO-UHFFFAOYSA-N 0 0 382.921 1.849 10 0 GDAERN C[C@@H]1CN(C2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)CCO1 ZINC000186513079 530857479 /nfs/dbraw/zinc/85/74/79/530857479.db2.gz VVDKWSUCQRTLCN-GFCCVEGCSA-N 0 0 378.445 1.022 10 0 GDAERN O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)[C@@H]1CCC(=O)N1 ZINC000110751197 530869994 /nfs/dbraw/zinc/86/99/94/530869994.db2.gz FSFUWPHWIVFEQV-JTQLQIEISA-N 0 0 396.188 1.898 10 0 GDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(C)cs3)CC2)cn1 ZINC000185238877 530838833 /nfs/dbraw/zinc/83/88/33/530838833.db2.gz PCGDJYQUECYKPD-UHFFFAOYSA-N 0 0 380.495 1.774 10 0 GDAERN COCC(=O)NC1CN(C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000185441513 530841493 /nfs/dbraw/zinc/84/14/93/530841493.db2.gz HEHWQTSJHQLDEU-UHFFFAOYSA-N 0 0 396.285 1.637 10 0 GDAERN CC[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CCN1CCOC ZINC000117299977 530911594 /nfs/dbraw/zinc/91/15/94/530911594.db2.gz ZATSKZZTTBVHCS-GFCCVEGCSA-N 0 0 391.253 1.802 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C2)cn1 ZINC000116229737 530903192 /nfs/dbraw/zinc/90/31/92/530903192.db2.gz 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CCc1nc(CNC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)cs1 ZINC000190178817 530927021 /nfs/dbraw/zinc/92/70/21/530927021.db2.gz XGHRBKMSBMJXFH-ZDUSSCGKSA-N 0 0 383.499 1.120 10 0 GDAERN CCn1cc(CN2CCCN(C(=O)c3cc(Br)nn3C)CC2)cn1 ZINC000192068623 530960749 /nfs/dbraw/zinc/96/07/49/530960749.db2.gz YOKCWYXNZUAYBR-UHFFFAOYSA-N 0 0 395.305 1.747 10 0 GDAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000192080843 530961124 /nfs/dbraw/zinc/96/11/24/530961124.db2.gz OMQVWSURKIGUEC-MRVPVSSYSA-N 0 0 384.223 1.663 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121891206 530963914 /nfs/dbraw/zinc/96/39/14/530963914.db2.gz WYHFTDRTTUPVDO-XHDPSFHLSA-N 0 0 392.930 1.833 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190641695 530935182 /nfs/dbraw/zinc/93/51/82/530935182.db2.gz PBPLHSVVQCIXJE-GFCCVEGCSA-N 0 0 382.258 1.741 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)cc1Br ZINC000190674918 530935725 /nfs/dbraw/zinc/93/57/25/530935725.db2.gz 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COCCCS(=O)(=O)NCCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246599646 531068339 /nfs/dbraw/zinc/06/83/39/531068339.db2.gz HCNBKWPPGZJMSZ-BBRMVZONSA-N 0 0 378.441 1.028 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000245533546 531058253 /nfs/dbraw/zinc/05/82/53/531058253.db2.gz JBIXOUFUCXVCLW-WOSRLPQWSA-N 0 0 387.933 1.919 10 0 GDAERN COCCN(C)S(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245756644 531061037 /nfs/dbraw/zinc/06/10/37/531061037.db2.gz YMFMQWKDKYPOOQ-CZUORRHYSA-N 0 0 393.912 1.885 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247217667 531073432 /nfs/dbraw/zinc/07/34/32/531073432.db2.gz YGQOKDKNMJTIAU-STQMWFEESA-N 0 0 398.301 1.610 10 0 GDAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248617192 531080007 /nfs/dbraw/zinc/08/00/07/531080007.db2.gz MDABJUUEPPZGAY-ZDUSSCGKSA-N 0 0 387.299 1.853 10 0 GDAERN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703908 531103300 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Cc1nnc([C@@H]2CN(C(=O)[C@H]3COc4ccc(Br)cc43)CCO2)[nH]1 ZINC000136434115 531114932 /nfs/dbraw/zinc/11/49/32/531114932.db2.gz SWSVBHOVKQBPNU-JSGCOSHPSA-N 0 0 393.241 1.952 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)CC2 ZINC000151997290 531145075 /nfs/dbraw/zinc/14/50/75/531145075.db2.gz LIOVXTQISJUYHG-SNVBAGLBSA-N 0 0 382.873 1.642 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000154443277 531183978 /nfs/dbraw/zinc/18/39/78/531183978.db2.gz PGESYFWWZJDBTN-AWEZNQCLSA-N 0 0 391.225 1.858 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(I)c1 ZINC000154556925 531186324 /nfs/dbraw/zinc/18/63/24/531186324.db2.gz UMCSSXUCIIDABH-SECBINFHSA-N 0 0 386.168 1.767 10 0 GDAERN C[C@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1N1CCOCC1 ZINC000156087527 531203912 /nfs/dbraw/zinc/20/39/12/531203912.db2.gz LNEHOBWBEAXYHC-FZMZJTMJSA-N 0 0 399.289 1.332 10 0 GDAERN CCc1nnc(CN2C(=O)c3cc(Br)ccc3S2(=O)=O)n1C ZINC000156358287 531204819 /nfs/dbraw/zinc/20/48/19/531204819.db2.gz 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ZINC000408062230 531215799 /nfs/dbraw/zinc/21/57/99/531215799.db2.gz YHJRTXHOPUQEPD-WMLDXEAASA-N 0 0 397.269 1.762 10 0 GDAERN O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CCCN(c2nccs2)CC1 ZINC000408097072 531218052 /nfs/dbraw/zinc/21/80/52/531218052.db2.gz HXFPZBUKTSGKHJ-CQSZACIVSA-N 0 0 380.539 1.883 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000408176293 531224356 /nfs/dbraw/zinc/22/43/56/531224356.db2.gz DVLUVHCQUULURR-SNVBAGLBSA-N 0 0 396.241 1.521 10 0 GDAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408237168 531228864 /nfs/dbraw/zinc/22/88/64/531228864.db2.gz QBGVWWPCVNOBAB-BFHYXJOUSA-N 0 0 390.527 1.437 10 0 GDAERN CN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N1CCOCC1 ZINC000408444966 531242353 /nfs/dbraw/zinc/24/23/53/531242353.db2.gz VWRPCMOHUDXHIB-ZDUSSCGKSA-N 0 0 391.287 1.782 10 0 GDAERN C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1N1CCOCC1 ZINC000266156688 531317698 /nfs/dbraw/zinc/31/76/98/531317698.db2.gz HXGAWVXEAJWZCK-ZYHUDNBSSA-N 0 0 383.290 1.842 10 0 GDAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccccc2I)C1 ZINC000284459500 531961348 /nfs/dbraw/zinc/96/13/48/531961348.db2.gz AHNSWYIZQWSRDY-WDEREUQCSA-N 0 0 390.221 1.311 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(Br)c1 ZINC000284702657 531983438 /nfs/dbraw/zinc/98/34/38/531983438.db2.gz JZNFIOWSJRFJHP-SKDRFNHKSA-N 0 0 377.260 1.021 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cc1Cl ZINC000284894556 532004224 /nfs/dbraw/zinc/00/42/24/532004224.db2.gz FWDKHUHQIZOPBE-HZPDHXFCSA-N 0 0 387.889 1.392 10 0 GDAERN CO[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1OC ZINC000300421663 532025420 /nfs/dbraw/zinc/02/54/20/532025420.db2.gz BBMYKLLHWCWNIH-RYUDHWBXSA-N 0 0 377.178 1.483 10 0 GDAERN O=S(=O)(N1CCOCC1)N1CCC(Nc2ncc(Cl)cc2F)CC1 ZINC000301551247 532036626 /nfs/dbraw/zinc/03/66/26/532036626.db2.gz QRWZSIZNKSKBNE-UHFFFAOYSA-N 0 0 378.857 1.327 10 0 GDAERN Brc1ccn2cc(-c3nc([C@@H]4CN5CCN4CC5)no3)nc2c1 ZINC000329633078 532108643 /nfs/dbraw/zinc/10/86/43/532108643.db2.gz 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O=C(/C=C\c1cccs1)NC(=S)Nc1ccccc1C(=O)NCCO ZINC000096585957 644594256 /nfs/dbraw/zinc/59/42/56/644594256.db2.gz GTHAUXXUGCNBGK-FPLPWBNLSA-N 0 0 375.475 1.997 10 0 GDAERN Cc1csc([C@](O)(CC(=O)NC[C@@H](C)N2CCOCC2)C(F)(F)F)n1 ZINC000109026522 644621514 /nfs/dbraw/zinc/62/15/14/644621514.db2.gz CCDXZNXCSGOOSZ-BXUZGUMPSA-N 0 0 381.420 1.428 10 0 GDAERN CC(=O)N1CC(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135855635 644767302 /nfs/dbraw/zinc/76/73/02/644767302.db2.gz QDWZVUJYHMSCND-INIZCTEOSA-N 0 0 380.286 1.933 10 0 GDAERN C[C@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C1CCOCC1 ZINC000151502676 644781589 /nfs/dbraw/zinc/78/15/89/644781589.db2.gz HYEFDRXVENFNAK-VIFPVBQESA-N 0 0 399.245 1.251 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179506207 644933510 /nfs/dbraw/zinc/93/35/10/644933510.db2.gz JGLWDUUNCFOSBB-NSHDSACASA-N 0 0 383.246 1.218 10 0 GDAERN O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ncccc1Br ZINC000193600411 645053604 /nfs/dbraw/zinc/05/36/04/645053604.db2.gz 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C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C[C@@H](C)O1 ZINC000329322395 645306526 /nfs/dbraw/zinc/30/65/26/645306526.db2.gz FLPRSAAFPRWPCV-ZIAGYGMSSA-N 0 0 388.511 1.269 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000368826068 645626786 /nfs/dbraw/zinc/62/67/86/645626786.db2.gz ZMWKKLWTKREZKS-KBPBESRZSA-N 0 0 385.511 1.028 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H](n2ccnn2)C1 ZINC000585321437 652084375 /nfs/dbraw/zinc/08/43/75/652084375.db2.gz SLTCJVQMYJTFMU-CYBMUJFWSA-N 0 0 383.861 1.074 10 0 GDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccc(F)cc1I ZINC000601735061 652600821 /nfs/dbraw/zinc/60/08/21/652600821.db2.gz GNYGAALDYQXGNP-LLVKDONJSA-N 0 0 392.212 1.833 10 0 GDAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2c(I)cnn2C)C1 ZINC000894728203 658601371 /nfs/dbraw/zinc/60/13/71/658601371.db2.gz OKNQGRGWZRHZKP-SCZZXKLOSA-N 0 0 388.213 1.105 10 0 GDAERN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@@H]2CO)c1 ZINC000912419588 660036347 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381.226 1.502 10 0 GDAERN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000171073485 530593440 /nfs/dbraw/zinc/59/34/40/530593440.db2.gz KDEATGNTHSHTLO-TVQRCGJNSA-N 0 0 391.287 1.512 10 0 GDAERN O=C(NCc1cccnc1-n1cncn1)c1cc(I)c[nH]1 ZINC000172197430 530609954 /nfs/dbraw/zinc/60/99/54/530609954.db2.gz DEYVHKKPBRXFHK-UHFFFAOYSA-N 0 0 394.176 1.525 10 0 GDAERN C[C@H](Cc1cccs1)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000033204371 530611455 /nfs/dbraw/zinc/61/14/55/530611455.db2.gz JVRGMNDFNYCXCV-NEPJUHHUSA-N 0 0 377.491 1.923 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1cccc(I)c1)[C@H]1CCCO1 ZINC000041917025 530625006 /nfs/dbraw/zinc/62/50/06/530625006.db2.gz PGPKOHYBARXBHJ-JOYOIKCWSA-N 0 0 388.205 1.913 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1N1CCOCC1 ZINC000173877958 530639090 /nfs/dbraw/zinc/63/90/90/530639090.db2.gz TVPOBXVCUWQXEO-BXUZGUMPSA-N 0 0 397.269 1.971 10 0 GDAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(Cl)nc2)ncn1 ZINC000173901219 530639204 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O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCCn2ncnc21 ZINC000177535217 530704580 /nfs/dbraw/zinc/70/45/80/530704580.db2.gz CJLXVQTXJACJHB-ZDUSSCGKSA-N 0 0 392.257 1.812 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)CSCc3cscn3)C2=O)n(C)n1 ZINC000178560746 530723226 /nfs/dbraw/zinc/72/32/26/530723226.db2.gz KTHUKHCPEXXWBZ-CYBMUJFWSA-N 0 0 379.511 1.730 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Cl)cc1Br ZINC000179919974 530752765 /nfs/dbraw/zinc/75/27/65/530752765.db2.gz IBZFFICZSWKPRF-NSHDSACASA-N 0 0 392.681 1.917 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)sc1Br ZINC000180096625 530757836 /nfs/dbraw/zinc/75/78/36/530757836.db2.gz UFGDDJHQGOTQHD-SECBINFHSA-N 0 0 392.304 1.831 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1Br ZINC000180210244 530760200 /nfs/dbraw/zinc/76/02/00/530760200.db2.gz MMNASMGQBNKOSF-JTQLQIEISA-N 0 0 392.047 1.538 10 0 GDAERN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCOC[C@H]1C(N)=O ZINC000180219110 530760852 /nfs/dbraw/zinc/76/08/52/530760852.db2.gz GJCKTSJJBHPPFP-KWQFWETISA-N 0 0 375.194 1.068 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000180268239 530762032 /nfs/dbraw/zinc/76/20/32/530762032.db2.gz IEESINDGZJUBTR-GFCCVEGCSA-N 0 0 397.204 1.100 10 0 GDAERN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CC1 ZINC000180796191 530771486 /nfs/dbraw/zinc/77/14/86/530771486.db2.gz MYIGFCVBJXXXIH-ZDUSSCGKSA-N 0 0 384.885 1.836 10 0 GDAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180982007 530775383 /nfs/dbraw/zinc/77/53/83/530775383.db2.gz DZRIYIPURYCYOG-LBPRGKRZSA-N 0 0 380.861 1.680 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181360459 530782503 /nfs/dbraw/zinc/78/25/03/530782503.db2.gz VODBTQWFYBITMX-LLVKDONJSA-N 0 0 376.218 1.977 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC000180542606 530768180 /nfs/dbraw/zinc/76/81/80/530768180.db2.gz UGZMDCKIKISIFW-SNVBAGLBSA-N 0 0 392.047 1.538 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cnc1Br ZINC000182804431 530804581 /nfs/dbraw/zinc/80/45/81/530804581.db2.gz IWFUZDKKZYSNTA-LBPRGKRZSA-N 0 0 393.245 1.546 10 0 GDAERN Cn1ncc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1C(F)(F)F ZINC000181744989 530790401 /nfs/dbraw/zinc/79/04/01/530790401.db2.gz XPTOXRRHPMFNMN-UHFFFAOYSA-N 0 0 380.436 1.134 10 0 GDAERN Cc1ncc(CN(C)C(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000184667548 530830545 /nfs/dbraw/zinc/83/05/45/530830545.db2.gz KISJAUMQMKMHFB-SNVBAGLBSA-N 0 0 378.479 1.537 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000184686386 530830629 /nfs/dbraw/zinc/83/06/29/530830629.db2.gz FHCWVNJJFSQBQA-SECBINFHSA-N 0 0 375.223 1.473 10 0 GDAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000184865638 530832825 /nfs/dbraw/zinc/83/28/25/530832825.db2.gz KRWHVPFVLJVALT-JQWIXIFHSA-N 0 0 392.465 1.593 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000103309056 530834155 /nfs/dbraw/zinc/83/41/55/530834155.db2.gz XCIVOBDFSUJSBN-CYBMUJFWSA-N 0 0 389.221 1.714 10 0 GDAERN COCCCCS(=O)(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000185033110 530835454 /nfs/dbraw/zinc/83/54/54/530835454.db2.gz BISPAWIEZXGVOQ-HNNXBMFYSA-N 0 0 376.544 1.776 10 0 GDAERN COc1ccc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)nc1Br ZINC000183207913 530811511 /nfs/dbraw/zinc/81/15/11/530811511.db2.gz YMBBDALHZYADEJ-LLVKDONJSA-N 0 0 382.218 1.493 10 0 GDAERN CN1CCO[C@H](CNC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000183324030 530813556 /nfs/dbraw/zinc/81/35/56/530813556.db2.gz IGPDMRIOCANNEM-LLVKDONJSA-N 0 0 386.265 1.987 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183475697 530815625 /nfs/dbraw/zinc/81/56/25/530815625.db2.gz UYKKTHLWTUGGTQ-VIFPVBQESA-N 0 0 393.079 1.667 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H](Cn2cncn2)C1 ZINC000094161732 530816702 /nfs/dbraw/zinc/81/67/02/530816702.db2.gz QXWLOQRZDRROMF-NSHDSACASA-N 0 0 390.245 1.636 10 0 GDAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106171562 530847021 /nfs/dbraw/zinc/84/70/21/530847021.db2.gz IVPXDCBCQMHFBJ-SWLSCSKDSA-N 0 0 378.274 1.979 10 0 GDAERN COCC(=O)NC1CN(c2ncnc3ccc(I)cc32)C1 ZINC000185918097 530848408 /nfs/dbraw/zinc/84/84/08/530848408.db2.gz PWQWEWYUUOPTII-UHFFFAOYSA-N 0 0 398.204 1.186 10 0 GDAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cc(Br)cc2c1OCC2 ZINC000186038208 530850529 /nfs/dbraw/zinc/85/05/29/530850529.db2.gz DPNJPDCTJDZPBV-NEPJUHHUSA-N 0 0 376.272 1.966 10 0 GDAERN CS(=O)(=O)c1ccc([C@H](O)CN2CCN(c3cccs3)C(=O)C2)cc1 ZINC000186074493 530850989 /nfs/dbraw/zinc/85/09/89/530850989.db2.gz CJKKMGPVDIHMCU-OAHLLOKOSA-N 0 0 380.491 1.534 10 0 GDAERN C[C@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[C@@H]1CCCO1 ZINC000186583038 530858224 /nfs/dbraw/zinc/85/82/24/530858224.db2.gz MSBJJGUPFQXDDH-UWVGGRQHSA-N 0 0 379.408 1.956 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1nnc2n1CCCC2 ZINC000185217037 530837792 /nfs/dbraw/zinc/83/77/92/530837792.db2.gz BENQZVWDTCAYOH-SECBINFHSA-N 0 0 378.380 1.413 10 0 GDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000114874394 530897792 /nfs/dbraw/zinc/89/77/92/530897792.db2.gz VRWXBVUHWCBRCW-LLVKDONJSA-N 0 0 385.287 1.896 10 0 GDAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111493270 530876065 /nfs/dbraw/zinc/87/60/65/530876065.db2.gz BEELRJJRQMBOSV-ZIAGYGMSSA-N 0 0 397.317 1.658 10 0 GDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)c1 ZINC000112093822 530877868 /nfs/dbraw/zinc/87/78/68/530877868.db2.gz DHBIVEALRLUQTN-LBPRGKRZSA-N 0 0 375.372 1.699 10 0 GDAERN O=C(NCc1c(F)cc(Br)cc1F)N1CCN2C(=O)NC[C@@H]2C1 ZINC000187917771 530880779 /nfs/dbraw/zinc/88/07/79/530880779.db2.gz WJZVMFWDPNFLDB-SECBINFHSA-N 0 0 389.200 1.646 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)ccc1Br ZINC000188020697 530882679 /nfs/dbraw/zinc/88/26/79/530882679.db2.gz UFRPSKDLFDBWDD-UHFFFAOYSA-N 0 0 394.269 1.823 10 0 GDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000112654547 530883225 /nfs/dbraw/zinc/88/32/25/530883225.db2.gz MTTJYNLXFFOGEC-JTQLQIEISA-N 0 0 379.214 1.557 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000114874396 530897563 /nfs/dbraw/zinc/89/75/63/530897563.db2.gz VRWXBVUHWCBRCW-NSHDSACASA-N 0 0 385.287 1.896 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(F)cc1Br ZINC000120034047 530934681 /nfs/dbraw/zinc/93/46/81/530934681.db2.gz BAELVARTRSFKDA-NSHDSACASA-N 0 0 376.226 1.403 10 0 GDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000190508828 530931726 /nfs/dbraw/zinc/93/17/26/530931726.db2.gz UONBENDOYVYQLZ-BBRMVZONSA-N 0 0 386.901 1.988 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1cc(Br)ccc1F)N1CCOCC1 ZINC000119993939 530934076 /nfs/dbraw/zinc/93/40/76/530934076.db2.gz QZOGUSIQMIOFJJ-SNVBAGLBSA-N 0 0 388.237 1.364 10 0 GDAERN CN1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1=O ZINC000189740632 530920068 /nfs/dbraw/zinc/92/00/68/530920068.db2.gz JWDMVDHAJPUDJZ-UHFFFAOYSA-N 0 0 378.230 1.334 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)N1CCOCC1 ZINC000190308836 530928024 /nfs/dbraw/zinc/92/80/24/530928024.db2.gz HRBUVPYHNIGAFB-SECBINFHSA-N 0 0 378.231 1.908 10 0 GDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000190981467 530941361 /nfs/dbraw/zinc/94/13/61/530941361.db2.gz BVIDDSBJMQEHMI-SNVBAGLBSA-N 0 0 390.303 1.414 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1=O ZINC000191037988 530942824 /nfs/dbraw/zinc/94/28/24/530942824.db2.gz SFUKAAYPYLSYNM-UHFFFAOYSA-N 0 0 390.184 1.357 10 0 GDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)cn1 ZINC000120828304 530946095 /nfs/dbraw/zinc/94/60/95/530946095.db2.gz LUHLAJHFBQJMGE-NSHDSACASA-N 0 0 387.458 1.141 10 0 GDAERN CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000120835648 530946510 /nfs/dbraw/zinc/94/65/10/530946510.db2.gz WTEGOUNVIHNVKA-LBPRGKRZSA-N 0 0 392.319 1.124 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000191757884 530954241 /nfs/dbraw/zinc/95/42/41/530954241.db2.gz JOVCECRNPSWVSY-VXGBXAGGSA-N 0 0 394.269 1.539 10 0 GDAERN CCn1cc([C@H]2CN(C(=O)c3c[nH]c(=O)c(Br)c3)CCO2)cn1 ZINC000191802026 530955033 /nfs/dbraw/zinc/95/50/33/530955033.db2.gz DIXPALCNBRFNEA-CYBMUJFWSA-N 0 0 381.230 1.568 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3c[nH]c(C)c(Br)c3=O)CCO2)[nH]1 ZINC000121402845 530955896 /nfs/dbraw/zinc/95/58/96/530955896.db2.gz LPZTXIIWILNRQQ-JTQLQIEISA-N 0 0 382.218 1.498 10 0 GDAERN C[C@@H]1CN(C(=O)c2ccncc2I)CCS(=O)(=O)C1 ZINC000191905812 530956554 /nfs/dbraw/zinc/95/65/54/530956554.db2.gz KHFPTMCHJBYGBE-SECBINFHSA-N 0 0 394.234 1.193 10 0 GDAERN CC[C@](C)(O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000123031429 530978794 /nfs/dbraw/zinc/97/87/94/530978794.db2.gz HRGOWMGMSUUDRJ-HNNXBMFYSA-N 0 0 391.331 1.916 10 0 GDAERN CN(C(=O)c1cc(Br)nn1C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000192329992 530967387 /nfs/dbraw/zinc/96/73/87/530967387.db2.gz CCTKWLVOZFKPCU-LLVKDONJSA-N 0 0 379.262 1.714 10 0 GDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CSCc2cscn2)ncn1 ZINC000124151396 530992533 /nfs/dbraw/zinc/99/25/33/530992533.db2.gz HZCPFIAQMKRZHE-CYBMUJFWSA-N 0 0 378.527 1.993 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1C ZINC000193759467 530992789 /nfs/dbraw/zinc/99/27/89/530992789.db2.gz LLDKUCWZXDWVAZ-JTQLQIEISA-N 0 0 384.395 1.974 10 0 GDAERN O=C(c1cncc(I)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000124429147 530995761 /nfs/dbraw/zinc/99/57/61/530995761.db2.gz JDDFZUKDMARYHG-ZDUSSCGKSA-N 0 0 387.221 1.233 10 0 GDAERN O=C(NCCCO)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000193991773 530997339 /nfs/dbraw/zinc/99/73/39/530997339.db2.gz GBCFVKRKMXLSNT-HNNXBMFYSA-N 0 0 380.491 1.362 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194874630 531011261 /nfs/dbraw/zinc/01/12/61/531011261.db2.gz WMQNTJZLILITBR-LLVKDONJSA-N 0 0 395.257 1.157 10 0 GDAERN CCN(C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1nc(C)cs1 ZINC000126161507 531015801 /nfs/dbraw/zinc/01/58/01/531015801.db2.gz XLIYWVZSXRKOBM-NSHDSACASA-N 0 0 378.479 1.932 10 0 GDAERN CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3COCCN3)sc2C)s1 ZINC000195246352 531019563 /nfs/dbraw/zinc/01/95/63/531019563.db2.gz ZHSWASRCYYQEDH-GFCCVEGCSA-N 0 0 380.495 1.743 10 0 GDAERN Cn1c(CN2CCC(NS(=O)(=O)c3cccs3)CC2)nnc1C1CC1 ZINC000195429830 531022586 /nfs/dbraw/zinc/02/25/86/531022586.db2.gz OVZJVUFDWNERGT-UHFFFAOYSA-N 0 0 381.527 1.697 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)c(C)[nH]c1=O)CC2 ZINC000127216805 531027191 /nfs/dbraw/zinc/02/71/91/531027191.db2.gz WQLJBBZBOGNKTF-SECBINFHSA-N 0 0 380.246 1.757 10 0 GDAERN C[C@@]1(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1(Cl)Cl ZINC000127729124 531033479 /nfs/dbraw/zinc/03/34/79/531033479.db2.gz UAQSMYAHJGRJRY-AWEZNQCLSA-N 0 0 399.340 1.660 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)ncc1Br ZINC000194205088 531001425 /nfs/dbraw/zinc/00/14/25/531001425.db2.gz USDGNBVTPJYBEJ-GFCCVEGCSA-N 0 0 392.257 1.979 10 0 GDAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H](N2CCOCC2)C1 ZINC000194356645 531003566 /nfs/dbraw/zinc/00/35/66/531003566.db2.gz DJEXNBZEZDLEMQ-ZBFHGGJFSA-N 0 0 381.270 1.686 10 0 GDAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccncc1I ZINC000130591624 531062413 /nfs/dbraw/zinc/06/24/13/531062413.db2.gz MFIFHYUDRAKOOS-NSHDSACASA-N 0 0 387.221 1.279 10 0 GDAERN C[C@H]1COC[C@H](C)N1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000130748268 531063796 /nfs/dbraw/zinc/06/37/96/531063796.db2.gz AKRGVOQPMINXKM-UWVGGRQHSA-N 0 0 381.226 1.681 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)CO1 ZINC000246166401 531064352 /nfs/dbraw/zinc/06/43/52/531064352.db2.gz DZDXLJBHPYWFPA-YNEHKIRRSA-N 0 0 375.441 1.487 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1Br ZINC000246218571 531065149 /nfs/dbraw/zinc/06/51/49/531065149.db2.gz UMNSNUSYAFVRAJ-STQMWFEESA-N 0 0 391.331 1.833 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1N1CCOCC1 ZINC000246444674 531067507 /nfs/dbraw/zinc/06/75/07/531067507.db2.gz ICBTUGCPFKHRLX-WDEREUQCSA-N 0 0 395.344 1.852 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000246561053 531068209 /nfs/dbraw/zinc/06/82/09/531068209.db2.gz NGFQCSGMWMRHFE-OLZOCXBDSA-N 0 0 386.905 1.102 10 0 GDAERN Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cn1 ZINC000129881699 531055496 /nfs/dbraw/zinc/05/54/96/531055496.db2.gz LIWFGLVYNJJUQW-CYBMUJFWSA-N 0 0 395.312 1.273 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1Br ZINC000248646466 531080374 /nfs/dbraw/zinc/08/03/74/531080374.db2.gz HMROLATUURGFEV-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132461711 531081432 /nfs/dbraw/zinc/08/14/32/531081432.db2.gz FEURCMWEFKDKLM-GDBMZVCRSA-N 0 0 399.329 1.827 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)ncc1Br ZINC000248752839 531081705 /nfs/dbraw/zinc/08/17/05/531081705.db2.gz VEZOLEYRYVLMBD-NEPJUHHUSA-N 0 0 399.289 1.005 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249433121 531086929 /nfs/dbraw/zinc/08/69/29/531086929.db2.gz HPXPMMYJRSSXHF-VXGBXAGGSA-N 0 0 375.903 1.840 10 0 GDAERN Cc1c(C(=O)N[C@H]2CCO[C@@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000134272361 531099275 /nfs/dbraw/zinc/09/92/75/531099275.db2.gz AWUURDHMBZIJNH-KCJUWKMLSA-N 0 0 377.260 1.312 10 0 GDAERN O=S(=O)(c1cc(F)ccc1Cl)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134706219 531103179 /nfs/dbraw/zinc/10/31/79/531103179.db2.gz GMQOVUIBQVJMBZ-LBPRGKRZSA-N 0 0 396.893 1.668 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)C[C@H](C)O1 ZINC000246929185 531070332 /nfs/dbraw/zinc/07/03/32/531070332.db2.gz YTHCFPVBCALEAO-WNCDQNTKSA-N 0 0 376.425 1.427 10 0 GDAERN CCS(=O)(=O)C[C@@H](C)N(C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246806850 531070703 /nfs/dbraw/zinc/07/07/03/531070703.db2.gz RKQVAVHYDJPRTA-TZMCWYRMSA-N 0 0 394.331 1.944 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1Br ZINC000247125328 531072928 /nfs/dbraw/zinc/07/29/28/531072928.db2.gz RZPWVNZSNHCGRZ-STQMWFEESA-N 0 0 398.301 1.610 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccncc1I ZINC000135344387 531107804 /nfs/dbraw/zinc/10/78/04/531107804.db2.gz SNPOQSXNNJGNND-LLVKDONJSA-N 0 0 383.193 1.851 10 0 GDAERN 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/nfs/dbraw/zinc/78/55/77/644785577.db2.gz JCPUYIOCTYRPEO-CYBMUJFWSA-N 0 0 388.917 1.926 10 0 GDAERN CCOC(=O)C1CCN(C(=O)c2nn3c(c2Br)OCCC3)CC1 ZINC000223793807 645074778 /nfs/dbraw/zinc/07/47/78/645074778.db2.gz PVEQNFUHEXOASL-UHFFFAOYSA-N 0 0 386.246 1.843 10 0 GDAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000245401850 645091552 /nfs/dbraw/zinc/09/15/52/645091552.db2.gz FZSSVVGRWWFKKW-BZNIZROVSA-N 0 0 384.889 1.727 10 0 GDAERN O=S(=O)(/C=C\c1ccccc1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000255285845 645108651 /nfs/dbraw/zinc/10/86/51/645108651.db2.gz LTWLWTFXDDVDDD-FLIBITNWSA-N 0 0 394.465 1.841 10 0 GDAERN O=C([C@@H]1CNC(=O)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000328864809 645283534 /nfs/dbraw/zinc/28/35/34/645283534.db2.gz BMWMKDBABKKRHS-VIFPVBQESA-N 0 0 377.875 1.211 10 0 GDAERN O=C(c1nscc1I)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000910469982 659972315 /nfs/dbraw/zinc/97/23/15/659972315.db2.gz PHFPGEXTZNUUNX-YIZRAAEISA-N 0 0 378.235 1.981 10 0 GDAERN O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000689233158 954648513 /nfs/dbraw/zinc/64/85/13/954648513.db2.gz HKZPCEZGKQDCLK-SQNIBIBYSA-N 0 0 393.509 1.234 10 0 GDAERN C[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000701773054 968988057 /nfs/dbraw/zinc/98/80/57/968988057.db2.gz XYYKXTGWMYILNX-RDJZCZTQSA-N 0 0 381.498 1.377 10 0 GDAERN CO[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000704129685 977215036 /nfs/dbraw/zinc/21/50/36/977215036.db2.gz AZJDPNGCVZJZTE-XLIONFOSSA-N 0 0 375.469 1.926 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000708518143 977430767 /nfs/dbraw/zinc/43/07/67/977430767.db2.gz WJMZGEBDPIPPIA-OCCSQVGLSA-N 0 0 378.454 1.154 10 0 GDAERN Cc1[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1Br ZINC000163181772 530574405 /nfs/dbraw/zinc/57/44/05/530574405.db2.gz ZLWBFTSXIXHNIH-YGRLFVJLSA-N 0 0 384.274 1.651 10 0 GDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000170822378 530589582 /nfs/dbraw/zinc/58/95/82/530589582.db2.gz RNURCSPGYDXUAN-CMPLNLGQSA-N 0 0 382.258 1.749 10 0 GDAERN C[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CCS1 ZINC000171697808 530601688 /nfs/dbraw/zinc/60/16/88/530601688.db2.gz KBESTFIYNPUKNR-NSHDSACASA-N 0 0 386.315 1.941 10 0 GDAERN CSc1ncc(Cl)c(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000171817132 530603568 /nfs/dbraw/zinc/60/35/68/530603568.db2.gz BZUATJAZVYOVJN-UHFFFAOYSA-N 0 0 380.905 1.934 10 0 GDAERN Cc1sc(=O)n(CCC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1C ZINC000172193278 530609685 /nfs/dbraw/zinc/60/96/85/530609685.db2.gz RBKVAAWDCDQBHE-AWEZNQCLSA-N 0 0 380.491 1.952 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3cccc(Br)c3C2)C1 ZINC000172405991 530613599 /nfs/dbraw/zinc/61/35/99/530613599.db2.gz INAHEDISVGVATI-CYBMUJFWSA-N 0 0 380.286 1.531 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000026857722 530586912 /nfs/dbraw/zinc/58/69/12/530586912.db2.gz RFLLDAWNVXWOEU-CYBMUJFWSA-N 0 0 384.933 1.243 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3[nH]nc(C(C)C)c3Br)CCO2)[nH]1 ZINC000173085998 530623136 /nfs/dbraw/zinc/62/31/36/530623136.db2.gz CWVNQVVQOBAUAB-VIFPVBQESA-N 0 0 383.250 1.936 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173351905 530628836 /nfs/dbraw/zinc/62/88/36/530628836.db2.gz ZWKQEDIBGZIYPV-ZDUSSCGKSA-N 0 0 396.285 1.629 10 0 GDAERN C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000173401807 530629978 /nfs/dbraw/zinc/62/99/78/530629978.db2.gz CLLZXXWTEQMTKE-XJKSGUPXSA-N 0 0 386.901 1.293 10 0 GDAERN CC[C@@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000173455572 530630839 /nfs/dbraw/zinc/63/08/39/530630839.db2.gz CEZDEYXDJZZXFT-IUODEOHRSA-N 0 0 388.281 1.503 10 0 GDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000173715118 530635279 /nfs/dbraw/zinc/63/52/79/530635279.db2.gz YSNNZWIVFJQUGY-ZDUSSCGKSA-N 0 0 380.246 1.888 10 0 GDAERN CC(C)N1C[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)[C@@H](C)C1 ZINC000173887141 530639367 /nfs/dbraw/zinc/63/93/67/530639367.db2.gz UKNIKNXSGZHWAN-FZMZJTMJSA-N 0 0 394.946 1.751 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(Cl)s3)CC2)[C@H](C)CO1 ZINC000172981828 530620215 /nfs/dbraw/zinc/62/02/15/530620215.db2.gz ZPHGFBVSXMIGIC-CHWSQXEVSA-N 0 0 393.962 1.873 10 0 GDAERN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041109958 530620274 /nfs/dbraw/zinc/62/02/74/530620274.db2.gz RAONEFHCYLDGQU-KBPBESRZSA-N 0 0 389.495 1.431 10 0 GDAERN COc1nc(N2CCCN(Cc3noc(C)n3)CC2)ncc1Br ZINC000176249994 530680114 /nfs/dbraw/zinc/68/01/14/530680114.db2.gz ZLTUYOXAIAVIQX-UHFFFAOYSA-N 0 0 383.250 1.651 10 0 GDAERN CCN(CC)S(=O)(=O)CC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000174652588 530652392 /nfs/dbraw/zinc/65/23/92/530652392.db2.gz YYHNCLXKRMEYRI-UHFFFAOYSA-N 0 0 388.559 1.157 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)c1 ZINC000174911684 530656016 /nfs/dbraw/zinc/65/60/16/530656016.db2.gz XFHBJPSFBOYASU-UHFFFAOYSA-N 0 0 387.184 1.987 10 0 GDAERN CC(C)OCCS(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000175212134 530660761 /nfs/dbraw/zinc/66/07/61/530660761.db2.gz AYSZDCLPWSIQDM-OAHLLOKOSA-N 0 0 376.544 1.808 10 0 GDAERN CCCCN(C)S(=O)(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000175219626 530660969 /nfs/dbraw/zinc/66/09/69/530660969.db2.gz IZAKRGYEPPXPOU-OAHLLOKOSA-N 0 0 375.560 1.996 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000175527946 530666459 /nfs/dbraw/zinc/66/64/59/530666459.db2.gz FTVNBYHXTLCGBM-CYBMUJFWSA-N 0 0 392.257 1.730 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176097133 530677104 /nfs/dbraw/zinc/67/71/04/530677104.db2.gz QHABSOBJPDJFTP-JTQLQIEISA-N 0 0 382.193 1.770 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c(Br)c1 ZINC000176102555 530677125 /nfs/dbraw/zinc/67/71/25/530677125.db2.gz MXQQYVOAHIUSEP-GFCCVEGCSA-N 0 0 378.230 1.939 10 0 GDAERN CCNC(=O)N1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000176706533 530689623 /nfs/dbraw/zinc/68/96/23/530689623.db2.gz ZMCVXCZXUMYATQ-CQSZACIVSA-N 0 0 386.290 1.536 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000177219405 530699636 /nfs/dbraw/zinc/69/96/36/530699636.db2.gz KKLBOUAWOQSKRU-GXTWGEPZSA-N 0 0 382.511 1.611 10 0 GDAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3ncnc32)ccc1Cl ZINC000177586056 530706226 /nfs/dbraw/zinc/70/62/26/530706226.db2.gz FKLGWKFEVHVREP-LBPRGKRZSA-N 0 0 383.861 1.447 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177603902 530706232 /nfs/dbraw/zinc/70/62/32/530706232.db2.gz YGQOKDKNMJTIAU-QWHCGFSZSA-N 0 0 398.301 1.610 10 0 GDAERN CCN(C[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1)CC(F)(F)F ZINC000177574650 530706439 /nfs/dbraw/zinc/70/64/39/530706439.db2.gz FQJQZGDJSLJQCL-IHRRRGAJSA-N 0 0 387.468 1.547 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C ZINC000177607388 530706587 /nfs/dbraw/zinc/70/65/87/530706587.db2.gz XDBRTQRRQLBVTD-NXEZZACHSA-N 0 0 375.803 1.470 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CCN1C[C@@H](C)O ZINC000177617034 530706800 /nfs/dbraw/zinc/70/68/00/530706800.db2.gz PYBFIEAEKNDHKH-IUODEOHRSA-N 0 0 398.301 1.691 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CCN1C[C@@H](C)O ZINC000177612714 530706901 /nfs/dbraw/zinc/70/69/01/530706901.db2.gz YVJYSHRKKVHYQB-IUODEOHRSA-N 0 0 398.301 1.691 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1Br ZINC000177634260 530706947 /nfs/dbraw/zinc/70/69/47/530706947.db2.gz QMLRAKPUPPPEDU-LLVKDONJSA-N 0 0 378.230 1.419 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000179892819 530752487 /nfs/dbraw/zinc/75/24/87/530752487.db2.gz RQXGJINZMSEQRK-MEDUHNTESA-N 0 0 382.258 1.936 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)ccc1Br ZINC000179908296 530752757 /nfs/dbraw/zinc/75/27/57/530752757.db2.gz SLQRRSWXPQAYCI-NSHDSACASA-N 0 0 376.226 1.403 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)c(Br)cc1F ZINC000179929133 530753440 /nfs/dbraw/zinc/75/34/40/530753440.db2.gz VHZWNTNZNILPTG-VIFPVBQESA-N 0 0 394.216 1.542 10 0 GDAERN CCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000180092325 530757632 /nfs/dbraw/zinc/75/76/32/530757632.db2.gz NIKAWKQYLJBLEB-NSHDSACASA-N 0 0 384.889 1.880 10 0 GDAERN Cc1cc(I)cc(C(=O)N2CCOC[C@@H]2C(N)=O)c1C ZINC000180277113 530762352 /nfs/dbraw/zinc/76/23/52/530762352.db2.gz FOVQBUAIZZYAGF-GFCCVEGCSA-N 0 0 388.205 1.234 10 0 GDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179754455 530749501 /nfs/dbraw/zinc/74/95/01/530749501.db2.gz KSAHIXDLWXGZDI-UHFFFAOYSA-N 0 0 392.257 1.922 10 0 GDAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180979739 530775696 /nfs/dbraw/zinc/77/56/96/530775696.db2.gz FXXBDNHVCDTIEG-NSHDSACASA-N 0 0 380.861 1.909 10 0 GDAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181026522 530776293 /nfs/dbraw/zinc/77/62/93/530776293.db2.gz HICUFZHOMHMHNZ-AWEZNQCLSA-N 0 0 383.235 1.814 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)COc2ccc(Br)cc2)cn1 ZINC000181344864 530781483 /nfs/dbraw/zinc/78/14/83/530781483.db2.gz YJXNXOKZKAYPRU-HNNXBMFYSA-N 0 0 379.258 1.735 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)c2cccc(I)c2)cn1 ZINC000181380144 530782402 /nfs/dbraw/zinc/78/24/02/530782402.db2.gz BJJKPRAQDIKLSQ-CQSZACIVSA-N 0 0 396.232 1.811 10 0 GDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)o1 ZINC000181368396 530782406 /nfs/dbraw/zinc/78/24/06/530782406.db2.gz ZSKKSEFNJKVVJL-SECBINFHSA-N 0 0 382.214 1.865 10 0 GDAERN O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCN2CCCC[C@@H]2C1 ZINC000182641014 530802669 /nfs/dbraw/zinc/80/26/69/530802669.db2.gz ZRVNXXXCSJOHFG-GFCCVEGCSA-N 0 0 379.404 1.882 10 0 GDAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000181698333 530789388 /nfs/dbraw/zinc/78/93/88/530789388.db2.gz HMQDCWSSSPDHBZ-CQSZACIVSA-N 0 0 385.287 1.518 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CCO2)[nH]1 ZINC000182081535 530794320 /nfs/dbraw/zinc/79/43/20/530794320.db2.gz IGSOATAGLWEYKP-JTQLQIEISA-N 0 0 377.348 1.289 10 0 GDAERN Cc1cnc([C@H](C)CNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000184485896 530828845 /nfs/dbraw/zinc/82/88/45/530828845.db2.gz DVVFTRGXEWVZCS-OCCSQVGLSA-N 0 0 386.543 1.765 10 0 GDAERN Cc1ncsc1CN(C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000184716355 530831659 /nfs/dbraw/zinc/83/16/59/530831659.db2.gz XAPGLOWTQCYHDP-LLVKDONJSA-N 0 0 378.479 1.537 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000103152943 530832871 /nfs/dbraw/zinc/83/28/71/530832871.db2.gz JUWCUAWFCYZDCA-LLVKDONJSA-N 0 0 397.241 1.969 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)N[C@H](C)Cc2cccc(Br)c2)CCO1 ZINC000103310716 530833901 /nfs/dbraw/zinc/83/39/01/530833901.db2.gz YJECNAAIMPCJBG-BXUZGUMPSA-N 0 0 385.258 1.964 10 0 GDAERN COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000103309054 530834462 /nfs/dbraw/zinc/83/44/62/530834462.db2.gz XCIVOBDFSUJSBN-ZDUSSCGKSA-N 0 0 389.221 1.714 10 0 GDAERN CNC(=O)[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000184037863 530823585 /nfs/dbraw/zinc/82/35/85/530823585.db2.gz UYRYNRHVIVYQDT-NSHDSACASA-N 0 0 379.766 1.744 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184065159 530824445 /nfs/dbraw/zinc/82/44/45/530824445.db2.gz ZCYLSSYYQWTALJ-UHFFFAOYSA-N 0 0 396.266 1.548 10 0 GDAERN Cc1ccc(CS(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1F ZINC000184202320 530825076 /nfs/dbraw/zinc/82/50/76/530825076.db2.gz MCAFSCHOJFXYGH-OAHLLOKOSA-N 0 0 390.502 1.464 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000185740920 530846393 /nfs/dbraw/zinc/84/63/93/530846393.db2.gz ZVSVCBHZJMSCJP-GFCCVEGCSA-N 0 0 379.276 1.067 10 0 GDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccccc1Br ZINC000106191493 530847017 /nfs/dbraw/zinc/84/70/17/530847017.db2.gz KGGCOYWKYVBPPZ-ZDUSSCGKSA-N 0 0 379.258 1.985 10 0 GDAERN C[C@@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000185993664 530849644 /nfs/dbraw/zinc/84/96/44/530849644.db2.gz VMLXVIHXXYTQCR-SNVBAGLBSA-N 0 0 390.303 1.701 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106758965 530849721 /nfs/dbraw/zinc/84/97/21/530849721.db2.gz AEUCKULRRGWENP-OAHLLOKOSA-N 0 0 379.258 1.695 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2c[nH]c3nccc(Cl)c23)n1 ZINC000186348595 530855881 /nfs/dbraw/zinc/85/58/81/530855881.db2.gz YZQWVLGIWZMJRL-JTQLQIEISA-N 0 0 383.817 1.670 10 0 GDAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cnn(CC(F)F)c3)C2)no1 ZINC000186898997 530864521 /nfs/dbraw/zinc/86/45/21/530864521.db2.gz YJPGISCRMAQADR-LLVKDONJSA-N 0 0 375.401 1.483 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3cncc(Br)c3)CC2)no1 ZINC000109923635 530865972 /nfs/dbraw/zinc/86/59/72/530865972.db2.gz WJRVVOVKXOBQIB-UHFFFAOYSA-N 0 0 380.246 1.884 10 0 GDAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000187169602 530868123 /nfs/dbraw/zinc/86/81/23/530868123.db2.gz QBVCVEOFTYOHMG-SNVBAGLBSA-N 0 0 388.237 1.282 10 0 GDAERN C[C@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000110604908 530868615 /nfs/dbraw/zinc/86/86/15/530868615.db2.gz RXZPQCYRXCTHSQ-SMDDNHRTSA-N 0 0 380.495 1.637 10 0 GDAERN C[S@](=O)CCCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000110856825 530870543 /nfs/dbraw/zinc/87/05/43/530870543.db2.gz ZRWXOUVDUOZWLG-ODCWNRFASA-N 0 0 379.507 1.568 10 0 GDAERN O=C(COc1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111084311 530871909 /nfs/dbraw/zinc/87/19/09/530871909.db2.gz FYOCVQVFDLCOFQ-OAHLLOKOSA-N 0 0 380.242 1.952 10 0 GDAERN CN1CCO[C@H](CNC(=O)Nc2ccccc2I)C1 ZINC000105280887 530842248 /nfs/dbraw/zinc/84/22/48/530842248.db2.gz DNHIOLKHWXHHCE-SNVBAGLBSA-N 0 0 375.210 1.743 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2ccccc2Br)C1 ZINC000185654293 530844535 /nfs/dbraw/zinc/84/45/35/530844535.db2.gz PSXRIHAUVSWWGF-LLVKDONJSA-N 0 0 384.274 1.537 10 0 GDAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000185628963 530844918 /nfs/dbraw/zinc/84/49/18/530844918.db2.gz YQMMRGGSCVVFBW-AWEZNQCLSA-N 0 0 399.266 1.477 10 0 GDAERN O=S(=O)(c1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111359888 530874235 /nfs/dbraw/zinc/87/42/35/530874235.db2.gz ALRNHJKXGWYNMS-CYBMUJFWSA-N 0 0 386.271 1.735 10 0 GDAERN CCCN1CCCN(C(=O)c2ccncc2I)CC1=O ZINC000189012452 530905777 /nfs/dbraw/zinc/90/57/77/530905777.db2.gz VMCFFGPYEMQFRD-UHFFFAOYSA-N 0 0 387.221 1.771 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000189105008 530908520 /nfs/dbraw/zinc/90/85/20/530908520.db2.gz ZTUYTLPGOXXEJC-IUODEOHRSA-N 0 0 381.270 1.579 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000187898680 530880713 /nfs/dbraw/zinc/88/07/13/530880713.db2.gz XFBXCJKHORYQNX-LBPRGKRZSA-N 0 0 386.221 1.572 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000112646877 530883380 /nfs/dbraw/zinc/88/33/80/530883380.db2.gz CCCQVYKNVIMNPH-CYBMUJFWSA-N 0 0 387.241 1.971 10 0 GDAERN O=C(COc1ccc(I)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112656290 530883614 /nfs/dbraw/zinc/88/36/14/530883614.db2.gz AVWRPIIVHYHZKS-LLVKDONJSA-N 0 0 398.204 1.393 10 0 GDAERN CNC(=O)c1ccc(S(=O)(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000188087530 530885082 /nfs/dbraw/zinc/88/50/82/530885082.db2.gz AKEXKIGLAYYMRX-UHFFFAOYSA-N 0 0 380.495 1.768 10 0 GDAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000190500918 530930825 /nfs/dbraw/zinc/93/08/25/530930825.db2.gz PVDLJYPGLHDNPF-CZUORRHYSA-N 0 0 386.901 1.988 10 0 GDAERN Cc1nc(C)c(CCNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000119861727 530932552 /nfs/dbraw/zinc/93/25/52/530932552.db2.gz ACUHLSQIXIBKIU-CQSZACIVSA-N 0 0 386.543 1.512 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000189479336 530914135 /nfs/dbraw/zinc/91/41/35/530914135.db2.gz DSELFJFOQMPTJX-ZDUSSCGKSA-N 0 0 399.289 1.006 10 0 GDAERN CN1CCCN(C(=O)c2cc(I)c(F)cc2F)CC1=O ZINC000189774006 530920380 /nfs/dbraw/zinc/92/03/80/530920380.db2.gz PVVPSJHUTVIEGQ-UHFFFAOYSA-N 0 0 394.159 1.874 10 0 GDAERN Cc1cc(N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000189778747 530920789 /nfs/dbraw/zinc/92/07/89/530920789.db2.gz FAPNNFFNVQJGHA-UHFFFAOYSA-N 0 0 382.873 1.494 10 0 GDAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190654366 530934915 /nfs/dbraw/zinc/93/49/15/530934915.db2.gz YFYGWLRZYLRHOL-JTQLQIEISA-N 0 0 375.231 1.187 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000120039359 530935282 /nfs/dbraw/zinc/93/52/82/530935282.db2.gz AIJMQMYEFLTDKU-AWEZNQCLSA-N 0 0 386.290 1.881 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000190681343 530935785 /nfs/dbraw/zinc/93/57/85/530935785.db2.gz ANSLYMCXPOREHY-SSDOTTSWSA-N 0 0 390.184 1.403 10 0 GDAERN CN1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1=O ZINC000192231282 530964815 /nfs/dbraw/zinc/96/48/15/530964815.db2.gz XHDMCJWIEWESDM-UHFFFAOYSA-N 0 0 381.679 1.955 10 0 GDAERN CCN(CC)C(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000120672206 530944349 /nfs/dbraw/zinc/94/43/49/530944349.db2.gz QEQBVASUYDVIBY-UHFFFAOYSA-N 0 0 380.246 1.896 10 0 GDAERN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1Br ZINC000120924931 530947149 /nfs/dbraw/zinc/94/71/49/530947149.db2.gz YZFRCBGQWJXCMC-GFCCVEGCSA-N 0 0 384.274 1.533 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000191388141 530947768 /nfs/dbraw/zinc/94/77/68/530947768.db2.gz RCGDGBITHHGZHT-CHWSQXEVSA-N 0 0 395.301 1.948 10 0 GDAERN COC(=O)c1cc(S(=O)(=O)NCCn2cc(C)cn2)c(Br)o1 ZINC000120950535 530947852 /nfs/dbraw/zinc/94/78/52/530947852.db2.gz AYOCGNWMZQWLOP-UHFFFAOYSA-N 0 0 392.231 1.312 10 0 GDAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000191646352 530952261 /nfs/dbraw/zinc/95/22/61/530952261.db2.gz XXGWHXDNSCEFIM-YPMHNXCESA-N 0 0 386.436 1.616 10 0 GDAERN CC(=O)NC1CN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000191727916 530953624 /nfs/dbraw/zinc/95/36/24/530953624.db2.gz BJXBQVZOSJGHOJ-LBPRGKRZSA-N 0 0 377.666 1.663 10 0 GDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@@H]1CCCO1 ZINC000192957278 530976970 /nfs/dbraw/zinc/97/69/70/530976970.db2.gz WUDAONXQFAVNLM-SCZZXKLOSA-N 0 0 389.193 1.308 10 0 GDAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2sccc2Br)C[C@H]1C ZINC000122334490 530970109 /nfs/dbraw/zinc/97/01/09/530970109.db2.gz DRXZDSMBSQFMRC-NXEZZACHSA-N 0 0 383.333 1.586 10 0 GDAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124578107 530997762 /nfs/dbraw/zinc/99/77/62/530997762.db2.gz STARPDGBGNOJGW-UHFFFAOYSA-N 0 0 382.511 1.752 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1cc(Br)ccc1F ZINC000123680607 530986551 /nfs/dbraw/zinc/98/65/51/530986551.db2.gz ZNCDYZNEVULAEG-LBPRGKRZSA-N 0 0 393.278 1.730 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000193464397 530987465 /nfs/dbraw/zinc/98/74/65/530987465.db2.gz MGKDNYCQVLGODE-SNVBAGLBSA-N 0 0 397.254 1.839 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127652558 531032220 /nfs/dbraw/zinc/03/22/20/531032220.db2.gz JFWJRZVRFWIYEC-MEDUHNTESA-N 0 0 385.258 1.926 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194272512 531002117 /nfs/dbraw/zinc/00/21/17/531002117.db2.gz OLVHMCOFPDYJAA-GDBMZVCRSA-N 0 0 383.286 1.668 10 0 GDAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@H](N2CCOCC2)C1 ZINC000194356612 531003922 /nfs/dbraw/zinc/00/39/22/531003922.db2.gz DJEXNBZEZDLEMQ-GOEBONIOSA-N 0 0 381.270 1.686 10 0 GDAERN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)[C@H](C)CO ZINC000131261156 531068839 /nfs/dbraw/zinc/06/88/39/531068839.db2.gz HUWPMWZDLBHHDH-MGPQQGTHSA-N 0 0 388.917 1.874 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1Br ZINC000246165105 531064456 /nfs/dbraw/zinc/06/44/56/531064456.db2.gz MDLQZHIXCUPJNX-MNOVXSKESA-N 0 0 396.328 1.954 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H]1N1CCOCC1 ZINC000246395787 531066564 /nfs/dbraw/zinc/06/65/64/531066564.db2.gz CTRGARUHRQRETG-ZYHUDNBSSA-N 0 0 395.344 1.852 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1N1CCOCC1 ZINC000246521141 531067427 /nfs/dbraw/zinc/06/74/27/531067427.db2.gz OPAISJWGKVPISM-GHMZBOCLSA-N 0 0 380.297 1.730 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1N1CCOCC1 ZINC000246444665 531067468 /nfs/dbraw/zinc/06/74/68/531067468.db2.gz ICBTUGCPFKHRLX-GHMZBOCLSA-N 0 0 395.344 1.852 10 0 GDAERN C[C@H](CS(C)(=O)=O)N(C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246547911 531068176 /nfs/dbraw/zinc/06/81/76/531068176.db2.gz COTVOVVFACAUMK-DGCLKSJQSA-N 0 0 380.304 1.554 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)C1(c2ccc(Br)cc2)CC1 ZINC000129003517 531046489 /nfs/dbraw/zinc/04/64/89/531046489.db2.gz UJHHZTWKCHCSOK-OAHLLOKOSA-N 0 0 383.286 1.290 10 0 GDAERN O[C@@H](CN1CCOCC1)CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000245199125 531056839 /nfs/dbraw/zinc/05/68/39/531056839.db2.gz AHLKCJFXBWHIDU-WMLDXEAASA-N 0 0 385.302 1.516 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)sc1Br ZINC000245528648 531057167 /nfs/dbraw/zinc/05/71/67/531057167.db2.gz FFBNLJPOFPCSIC-IUCAKERBSA-N 0 0 398.348 1.290 10 0 GDAERN Cc1cnn(C[C@@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3)CCO2)c1 ZINC000247812822 531076534 /nfs/dbraw/zinc/07/65/34/531076534.db2.gz VKIBGTPFMPHCEY-JKSUJKDBSA-N 0 0 393.285 1.881 10 0 GDAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCN(c2cccnn2)CC1 ZINC000247775781 531076630 /nfs/dbraw/zinc/07/66/30/531076630.db2.gz QNCGTXWJDBDYNB-MRXNPFEDSA-N 0 0 390.285 1.978 10 0 GDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000248345180 531078257 /nfs/dbraw/zinc/07/82/57/531078257.db2.gz MMJZTNTYEMGZRF-CVEARBPZSA-N 0 0 388.555 1.952 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1C ZINC000248475412 531079103 /nfs/dbraw/zinc/07/91/03/531079103.db2.gz MSAIVZHCLHBJHW-GFCCVEGCSA-N 0 0 384.424 1.177 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c(F)cc(Br)cc1F ZINC000132347406 531079603 /nfs/dbraw/zinc/07/96/03/531079603.db2.gz IDAZAJJREUQTPD-SNVBAGLBSA-N 0 0 379.201 1.150 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C ZINC000248664162 531080763 /nfs/dbraw/zinc/08/07/63/531080763.db2.gz KPSIESFVXZFNAG-UWVGGRQHSA-N 0 0 392.258 1.985 10 0 GDAERN Cn1cc([C@@H]2CSCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000248833021 531082502 /nfs/dbraw/zinc/08/25/02/531082502.db2.gz ZHNJEPSZBUHCSP-DLBZAZTESA-N 0 0 381.523 1.647 10 0 GDAERN COc1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)c(C)c1F ZINC000132659872 531082886 /nfs/dbraw/zinc/08/28/86/531082886.db2.gz SHIRFXORTNPJLD-LLVKDONJSA-N 0 0 384.351 1.584 10 0 GDAERN CN(CC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)S(C)(=O)=O ZINC000249391532 531086865 /nfs/dbraw/zinc/08/68/65/531086865.db2.gz ABNOKABXUOWAQR-TZMCWYRMSA-N 0 0 381.281 1.301 10 0 GDAERN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000252801244 531091067 /nfs/dbraw/zinc/09/10/67/531091067.db2.gz ACVQJYZIMMABJM-XNRPHZJLSA-N 0 0 386.901 1.485 10 0 GDAERN CCN1CCO[C@@H](CNC(=O)c2csc(I)c2)C1 ZINC000134689012 531102771 /nfs/dbraw/zinc/10/27/71/531102771.db2.gz YKVNXFYFFKJWJG-JTQLQIEISA-N 0 0 380.251 1.803 10 0 GDAERN O=C(c1ccncc1I)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000135376622 531108473 /nfs/dbraw/zinc/10/84/73/531108473.db2.gz OUNVBQDAUJBBRT-CHWSQXEVSA-N 0 0 388.205 1.706 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000151391126 531137117 /nfs/dbraw/zinc/13/71/17/531137117.db2.gz ZXLQOSKKKVTTRU-QMMMGPOBSA-N 0 0 396.175 1.630 10 0 GDAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)n1 ZINC000151920464 531144096 /nfs/dbraw/zinc/14/40/96/531144096.db2.gz DTBHTFWUYUOUCH-UONOGXRCSA-N 0 0 386.543 1.622 10 0 GDAERN CC[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCN1CCOC ZINC000152054378 531145694 /nfs/dbraw/zinc/14/56/94/531145694.db2.gz OFGZZDVFKKTMDI-ZDUSSCGKSA-N 0 0 388.917 1.926 10 0 GDAERN C[C@@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000263928200 531160920 /nfs/dbraw/zinc/16/09/20/531160920.db2.gz IMYCZYQTDDBKAH-PWSUYJOCSA-N 0 0 381.483 1.837 10 0 GDAERN COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000153065328 531162598 /nfs/dbraw/zinc/16/25/98/531162598.db2.gz SCQOFYJRQCOOSU-NSHDSACASA-N 0 0 393.303 1.582 10 0 GDAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000155112367 531195861 /nfs/dbraw/zinc/19/58/61/531195861.db2.gz LBQZDOCYGGBOSL-RKDXNWHRSA-N 0 0 377.260 1.346 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000157063191 531205927 /nfs/dbraw/zinc/20/59/27/531205927.db2.gz TZVPFGYVPWLLBD-JTQLQIEISA-N 0 0 380.861 1.955 10 0 GDAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000407956039 531208656 /nfs/dbraw/zinc/20/86/56/531208656.db2.gz KZXGFSMVKSUFJU-UHFFFAOYSA-N 0 0 394.234 1.190 10 0 GDAERN O=C(c1ncccc1Br)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408055583 531214595 /nfs/dbraw/zinc/21/45/95/531214595.db2.gz YXFDUFDLXTZTHU-PWSUYJOCSA-N 0 0 386.221 1.256 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CO)c1 ZINC000408087728 531216474 /nfs/dbraw/zinc/21/64/74/531216474.db2.gz FTBSEEBPDZHMBJ-TZMCWYRMSA-N 0 0 375.512 1.488 10 0 GDAERN O=C([C@@H]1CCCN1S(=O)(=O)c1cc(F)c(F)c(F)c1)N1CCSCC1 ZINC000408236666 531228338 /nfs/dbraw/zinc/22/83/38/531228338.db2.gz PSCFDQLTRYQRNH-ZDUSSCGKSA-N 0 0 394.440 1.832 10 0 GDAERN CCC(CC)C(=O)N1CCC(NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408238787 531228403 /nfs/dbraw/zinc/22/84/03/531228403.db2.gz UALSELTUDNCMJG-ZIAGYGMSSA-N 0 0 375.535 1.357 10 0 GDAERN O=S(=O)(CC(F)(F)F)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000408321336 531232833 /nfs/dbraw/zinc/23/28/33/531232833.db2.gz QQFVCJNAWDFMII-NSHDSACASA-N 0 0 378.438 1.205 10 0 GDAERN Cc1c(Br)cc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c(=O)n1C ZINC000408393898 531238595 /nfs/dbraw/zinc/23/85/95/531238595.db2.gz NTHJEWGUISALMT-CYBMUJFWSA-N 0 0 397.191 1.986 10 0 GDAERN O=C(Nc1cc(F)c(I)c(F)c1)N1CCO[C@@H](CO)C1 ZINC000267457436 531427414 /nfs/dbraw/zinc/42/74/14/531427414.db2.gz PDLSYHZQDWOMOZ-MRVPVSSYSA-N 0 0 398.147 1.794 10 0 GDAERN COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000284094784 531928634 /nfs/dbraw/zinc/92/86/34/531928634.db2.gz AUNHYNQEHMCMCH-QWHCGFSZSA-N 0 0 390.889 1.451 10 0 GDAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(F)cc2I)C1 ZINC000284827340 531996932 /nfs/dbraw/zinc/99/69/32/531996932.db2.gz MYBZXFPTQSVVLH-VHSXEESVSA-N 0 0 379.169 1.652 10 0 GDAERN CCn1cc(CN2CCCN(c3cnn(C)c(=O)c3Br)CC2)cn1 ZINC000301228961 532029316 /nfs/dbraw/zinc/02/93/16/532029316.db2.gz 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ZINC000333725603 532246729 /nfs/dbraw/zinc/24/67/29/532246729.db2.gz VVZARNVVQGGDRQ-UHFFFAOYSA-N 0 0 382.222 1.255 10 0 GDAERN CO[C@H]1C[C@H](C(=O)Nc2ccc(-c3nncs3)cc2)N(S(C)(=O)=O)C1 ZINC000333805342 532250419 /nfs/dbraw/zinc/25/04/19/532250419.db2.gz FEOPZMIMMFWHQU-QWHCGFSZSA-N 0 0 382.467 1.193 10 0 GDAERN O=C(c1nc2ccc(Br)cn2n1)N1CCCN(CC(F)F)CC1 ZINC000333939412 532258858 /nfs/dbraw/zinc/25/88/58/532258858.db2.gz NEXWFSXMFXQDSY-UHFFFAOYSA-N 0 0 388.216 1.905 10 0 GDAERN C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000030367940 203795023 /nfs/dbraw/zinc/79/50/23/203795023.db2.gz RMTHPOWEKZXOPY-IYBDPMFKSA-N 0 0 380.510 1.864 10 0 GDAERN O=C1N[C@@H]2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000004260746 204035612 /nfs/dbraw/zinc/03/56/12/204035612.db2.gz MYFLCXLYTUXMJX-SJORKVTESA-N 0 0 385.445 1.570 10 0 biogenic GDAERN CC(C)NC(=O)Cn1c2ccccc2nc1SCC(=O)N1CCOCC1 ZINC000004859281 204083759 /nfs/dbraw/zinc/08/37/59/204083759.db2.gz WSUKITJYFBTDFX-UHFFFAOYSA-N 0 0 376.482 1.512 10 0 GDAERN CCOC(=O)Cc1csc(NC(=O)CSc2[nH]c(=O)nc3c2CCC3)n1 ZINC000005154257 204114925 /nfs/dbraw/zinc/11/49/25/204114925.db2.gz VWZXQFMHUCGUSW-UHFFFAOYSA-N 0 0 394.478 1.552 10 0 GDAERN Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000005026222 204103066 /nfs/dbraw/zinc/10/30/66/204103066.db2.gz OUCYFSLULXEWOU-UHFFFAOYSA-N 0 0 397.815 1.831 10 0 GDAERN Cc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1 ZINC000006754210 204201528 /nfs/dbraw/zinc/20/15/28/204201528.db2.gz STGSXRYSCBPGPH-UHFFFAOYSA-N 0 0 382.399 1.877 10 0 GDAERN Cc1cc2c(cc1S(=O)(=O)CCC(=O)N1CCCC[C@@H]1C)OCC(=O)N2 ZINC000006893222 204221817 /nfs/dbraw/zinc/22/18/17/204221817.db2.gz WQUZSSIPDNYBIM-ZDUSSCGKSA-N 0 0 380.466 1.891 10 0 GDAERN Cc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000012208522 204383454 /nfs/dbraw/zinc/38/34/54/204383454.db2.gz ULROXOZAWGWVQQ-HNNXBMFYSA-N 0 0 388.511 1.382 10 0 GDAERN CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000012317214 204395185 /nfs/dbraw/zinc/39/51/85/204395185.db2.gz VDBZRKQDLZTJPV-AHKGRUIUSA-N 0 0 381.480 1.423 10 0 GDAERN NS(=O)(=O)CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012974618 204470975 /nfs/dbraw/zinc/47/09/75/204470975.db2.gz KNIQHAWOYQUSNS-UHFFFAOYSA-N 0 0 384.461 1.503 10 0 GDAERN CN(Cc1cc[nH]n1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 ZINC000020998597 204749623 /nfs/dbraw/zinc/74/96/23/204749623.db2.gz HIFYORGZIUCRBD-INIZCTEOSA-N 0 0 377.395 1.037 10 0 GDAERN CCc1ccc(-c2noc3c2ncn(CCC(=O)N2CCOCC2)c3=O)cc1 ZINC000033277735 204954850 /nfs/dbraw/zinc/95/48/50/204954850.db2.gz OCUKJJQMUYRHBX-UHFFFAOYSA-N 0 0 382.420 1.863 10 0 GDAERN O=C(O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000059940125 205179811 /nfs/dbraw/zinc/17/98/11/205179811.db2.gz COSAGRDGLGPYDP-XMTFNYHQSA-N 0 0 386.356 1.646 10 0 GDAERN Cc1ccc(CNC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)cc1 ZINC000064943094 205201985 /nfs/dbraw/zinc/20/19/85/205201985.db2.gz HVOAPNRLEQGCTA-UHFFFAOYSA-N 0 0 397.456 1.701 10 0 GDAERN C[C@H](C(=O)N1CCC(C(N)=O)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775939 205194789 /nfs/dbraw/zinc/19/47/89/205194789.db2.gz LBWCFZZVVDAKBL-GFCCVEGCSA-N 0 0 381.436 1.173 10 0 GDAERN O=S(=O)(NC[C@]1(O)CCCN(Cc2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000072156888 205312983 /nfs/dbraw/zinc/31/29/83/205312983.db2.gz PWGZAMGUSLPRDQ-KRWDZBQOSA-N 0 0 382.461 1.244 10 0 GDAERN CN(C)C(=O)N1CCCn2nc(CNC(=O)c3noc4c3CCCC4)cc2C1 ZINC000091350880 205412256 /nfs/dbraw/zinc/41/22/56/205412256.db2.gz LTQMIVYBJNSMRV-UHFFFAOYSA-N 0 0 386.456 1.567 10 0 GDAERN CC[C@H](C)NC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000064979085 206105686 /nfs/dbraw/zinc/10/56/86/206105686.db2.gz BOSFLRFVROKKRF-INIZCTEOSA-N 0 0 386.496 1.830 10 0 GDAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)cc21 ZINC000097015611 206123992 /nfs/dbraw/zinc/12/39/92/206123992.db2.gz CATZQYJJUKGPDP-QGZVFWFLSA-N 0 0 387.461 1.833 10 0 GDAERN COCCN(C[C@@H]1CN(C[C@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667296 570292608 /nfs/dbraw/zinc/29/26/08/570292608.db2.gz LWKAOHJBCXNHAN-OALUTQOASA-N 0 0 382.476 1.632 10 0 GDAERN COCCN1C(=O)C[C@@H](CN=c2nc(C3CC3)[n-]s2)[C@@H]1c1cnn(C)c1 ZINC000328611808 570546694 /nfs/dbraw/zinc/54/66/94/570546694.db2.gz MRAPFEFZFLDBLM-SWLSCSKDSA-N 0 0 376.486 1.219 10 0 GDAERN COCCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@@H](C)O ZINC000036207561 570569166 /nfs/dbraw/zinc/56/91/66/570569166.db2.gz KYGZIWKVXFFMLZ-SNVBAGLBSA-N 0 0 383.470 1.299 10 0 GDAERN Cc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3cccnc3)c(C)s2)no1 ZINC000033026835 570662423 /nfs/dbraw/zinc/66/24/23/570662423.db2.gz QSOXJAAZXSKYES-UHFFFAOYSA-N 0 0 393.450 1.727 10 0 GDAERN Cc1noc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(C)[C@H]3c3ccccc3)CC2)n1 ZINC000329249659 570804480 /nfs/dbraw/zinc/80/44/80/570804480.db2.gz TWVOLYXAKJPICY-XLIONFOSSA-N 0 0 397.479 1.632 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000129446700 570955626 /nfs/dbraw/zinc/95/56/26/570955626.db2.gz KPABBQHEXWGNRQ-SNVBAGLBSA-N 0 0 396.860 1.539 10 0 GDAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc(I)cc1 ZINC000124915447 644710800 /nfs/dbraw/zinc/71/08/00/644710800.db2.gz QYJMKVXOWMMALW-LLVKDONJSA-N 0 0 394.234 1.006 10 0 GDAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc2ncc(I)n2c1 ZINC000130404048 644739397 /nfs/dbraw/zinc/73/93/97/644739397.db2.gz KICRVXHWDIJBBO-MNOVXSKESA-N 0 0 385.205 1.972 10 0 GDAERN CCOc1cc(C)nc(N2CCN(Cn3cc(Br)cn3)CC2)n1 ZINC000152682930 644789537 /nfs/dbraw/zinc/78/95/37/644789537.db2.gz SEMHDRRVYULGNO-UHFFFAOYSA-N 0 0 381.278 1.922 10 0 GDAERN NS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000155535757 644813490 /nfs/dbraw/zinc/81/34/90/644813490.db2.gz QFDIUOYYNKPLOH-ZANVPECISA-N 0 0 391.287 1.377 10 0 GDAERN Cc1nc(Cc2nn(CN3CC[C@H](N4CCOCC4)C3)c(=S)o2)cs1 ZINC000172960162 644886367 /nfs/dbraw/zinc/88/63/67/644886367.db2.gz YHZVPDDBRZFSLD-AWEZNQCLSA-N 0 0 381.527 1.925 10 0 GDAERN Cn1c2[nH]c(CCCNC(=O)c3ccc(Cl)s3)nc2c(=O)n(C)c1=O ZINC000222486447 645073609 /nfs/dbraw/zinc/07/36/09/645073609.db2.gz KWKONGVOTRNAOB-UHFFFAOYSA-N 0 0 381.845 1.038 10 0 GDAERN O=C(NCC[C@@H](O)c1ccco1)c1cnc(-n2cnnc2)c(Br)c1 ZINC000223068939 645074301 /nfs/dbraw/zinc/07/43/01/645074301.db2.gz DTBWNPXZBVTVNE-GFCCVEGCSA-N 0 0 392.213 1.871 10 0 GDAERN COC(=O)C1CCN(C(=O)c2cnc(-n3cnnc3)c(Br)c2)CC1 ZINC000223072989 645074413 /nfs/dbraw/zinc/07/44/13/645074413.db2.gz DPGIRZUZQUPTMK-UHFFFAOYSA-N 0 0 394.229 1.450 10 0 GDAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C[C@H]21 ZINC000328870957 645284180 /nfs/dbraw/zinc/28/41/80/645284180.db2.gz IFDCSQUJGWCQTN-CHWSQXEVSA-N 0 0 388.873 1.205 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C[C@@H]21 ZINC000328906925 645287690 /nfs/dbraw/zinc/28/76/90/645287690.db2.gz LCSSMRBZKFOTBK-STQMWFEESA-N 0 0 383.242 1.723 10 0 GDAERN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)C12CCCC2 ZINC000329582376 645317809 /nfs/dbraw/zinc/31/78/09/645317809.db2.gz LLCCWUFLLAHDCG-OWCLPIDISA-N 0 0 393.571 1.811 10 0 GDAERN CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC[C@H]1CCCCN1C(C)=O ZINC000330194768 645347163 /nfs/dbraw/zinc/34/71/63/645347163.db2.gz ZEARTDRHSSPMPE-HZPDHXFCSA-N 0 0 394.559 1.006 10 0 GDAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1C[C@H](F)C[C@H]1CO ZINC000372424999 645814873 /nfs/dbraw/zinc/81/48/73/645814873.db2.gz GRZYQQQGZLTEHZ-MNOVXSKESA-N 0 0 380.235 1.477 10 0 GDAERN CSCC[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1nc2ccccc2[nH]1 ZINC000900611442 659127285 /nfs/dbraw/zinc/12/72/85/659127285.db2.gz RQPYEDKMACXDSV-CQSZACIVSA-N 0 0 382.511 1.365 10 0 GDAERN CN1C[C@@H](CNC(=O)c2cccc(F)c2I)CC1=O ZINC000598260497 652469217 /nfs/dbraw/zinc/46/92/17/652469217.db2.gz BIABYYJEABTJNB-MRVPVSSYSA-N 0 0 376.169 1.638 10 0 GDAERN Cc1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(C)s1 ZINC000702764558 654832696 /nfs/dbraw/zinc/83/26/96/654832696.db2.gz KPAZEZXYCAEMIP-OLZOCXBDSA-N 0 0 390.527 1.871 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000702858035 654832916 /nfs/dbraw/zinc/83/29/16/654832916.db2.gz FDQVLHFKOINJRH-ZJUUUORDSA-N 0 0 396.918 1.908 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(Br)o2)[C@H](O)C1 ZINC000702819043 654832997 /nfs/dbraw/zinc/83/29/97/654832997.db2.gz ZXVSIODCCQZWIF-NXEZZACHSA-N 0 0 389.246 2.000 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c[nH]nc1I ZINC000896943870 658814635 /nfs/dbraw/zinc/81/46/35/658814635.db2.gz CFTVZAIYDLWHOZ-QMMMGPOBSA-N 0 0 386.197 1.433 10 0 GDAERN CCc1nc(CCNC(=O)c2nscc2I)no1 ZINC000906583205 659557422 /nfs/dbraw/zinc/55/74/22/659557422.db2.gz UZDCPSWAMAFWAC-UHFFFAOYSA-N 0 0 378.195 1.666 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000708546848 954999972 /nfs/dbraw/zinc/99/99/72/954999972.db2.gz RUZQYDJABFLOFZ-OIISXLGYSA-N 0 0 381.498 1.138 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000704151307 977219380 /nfs/dbraw/zinc/21/93/80/977219380.db2.gz IBFBOLYUFHJNLY-RIFZZMRRSA-N 0 0 375.469 1.782 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000158920096 530537881 /nfs/dbraw/zinc/53/78/81/530537881.db2.gz HXFRXYYNKIFBNS-QMMMGPOBSA-N 0 0 376.269 1.836 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000166708139 530583211 /nfs/dbraw/zinc/58/32/11/530583211.db2.gz RFXVCBSDZPAIMN-NSHDSACASA-N 0 0 388.649 1.778 10 0 GDAERN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)cc1Cl ZINC000163026588 530572830 /nfs/dbraw/zinc/57/28/30/530572830.db2.gz CMYMZCDODMQHAI-NSHDSACASA-N 0 0 383.297 1.273 10 0 GDAERN COCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000171259906 530596123 /nfs/dbraw/zinc/59/61/23/530596123.db2.gz GYSIBLHCASCBJV-UHFFFAOYSA-N 0 0 380.388 1.575 10 0 GDAERN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000172389154 530612684 /nfs/dbraw/zinc/61/26/84/530612684.db2.gz TVPVLBZCZKSVKD-OAHLLOKOSA-N 0 0 378.416 1.988 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(I)cc3)CCO2)[nH]1 ZINC000173087046 530623287 /nfs/dbraw/zinc/62/32/87/530623287.db2.gz IQVVXCSWIKLSMF-GFCCVEGCSA-N 0 0 398.204 1.931 10 0 GDAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173692022 530634996 /nfs/dbraw/zinc/63/49/96/530634996.db2.gz ZOEOUGUJROXZHT-CYBMUJFWSA-N 0 0 378.230 1.843 10 0 GDAERN O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173691017 530635074 /nfs/dbraw/zinc/63/50/74/530635074.db2.gz BEHXZZIJQGFZGB-LLVKDONJSA-N 0 0 378.230 1.843 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)C[C@H]1N1CCOCC1 ZINC000173821435 530637765 /nfs/dbraw/zinc/63/77/65/530637765.db2.gz YQCPMDQFCALXAQ-IUODEOHRSA-N 0 0 397.317 1.703 10 0 GDAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccc(Br)cc1F ZINC000172806860 530618367 /nfs/dbraw/zinc/61/83/67/530618367.db2.gz IRLDHUYYMDOSSZ-ZDUSSCGKSA-N 0 0 386.265 1.933 10 0 GDAERN CN(CC(C)(C)O)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000176460684 530683912 /nfs/dbraw/zinc/68/39/12/530683912.db2.gz LTMPRBURDNZGRT-ZDUSSCGKSA-N 0 0 388.917 1.970 10 0 GDAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3sc(C)nc3C)C2=O)n(C)n1 ZINC000176957460 530694382 /nfs/dbraw/zinc/69/43/82/530694382.db2.gz WIILEDOMADHVBS-GFCCVEGCSA-N 0 0 383.499 1.276 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177611290 530706997 /nfs/dbraw/zinc/70/69/97/530706997.db2.gz INEMOLYAUWFRQM-VXGBXAGGSA-N 0 0 398.301 1.610 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000177638354 530707824 /nfs/dbraw/zinc/70/78/24/530707824.db2.gz GUOLAKNDEVXOFN-GYCJOSAFSA-N 0 0 386.539 1.587 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000060321221 530735575 /nfs/dbraw/zinc/73/55/75/530735575.db2.gz RGWFCAOHMYDJIF-LLVKDONJSA-N 0 0 379.251 1.830 10 0 GDAERN CCS(=O)(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179957402 530754580 /nfs/dbraw/zinc/75/45/80/530754580.db2.gz RNYCNZZYEOEOFA-QWHCGFSZSA-N 0 0 380.388 1.279 10 0 GDAERN CCc1nnc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2Cl)n1C ZINC000180086389 530756874 /nfs/dbraw/zinc/75/68/74/530756874.db2.gz VHQSWJTWHSYZMB-NSHDSACASA-N 0 0 384.889 1.823 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1Br ZINC000180202510 530760267 /nfs/dbraw/zinc/76/02/67/530760267.db2.gz LAFWKJJVATVEQT-LLVKDONJSA-N 0 0 391.649 1.584 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C[C@@H]1C ZINC000179724335 530748214 /nfs/dbraw/zinc/74/82/14/530748214.db2.gz QUMGBJPGVXCQFG-LBPRGKRZSA-N 0 0 399.289 1.270 10 0 GDAERN CN(C)c1nc2sc(C(=O)N3CCNC[C@H]3c3cnn(C)c3)cc2s1 ZINC000181398435 530782894 /nfs/dbraw/zinc/78/28/94/530782894.db2.gz DBDPCFDXQAJNEV-NSHDSACASA-N 0 0 376.511 1.944 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000181505320 530785052 /nfs/dbraw/zinc/78/50/52/530785052.db2.gz CKEKVHATYBMGMV-CQSZACIVSA-N 0 0 386.543 1.440 10 0 GDAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cccc(Br)c2)cn1 ZINC000181690733 530789395 /nfs/dbraw/zinc/78/93/95/530789395.db2.gz VKRDYVYDQRTFEX-AWEZNQCLSA-N 0 0 385.287 1.518 10 0 GDAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000182222722 530796155 /nfs/dbraw/zinc/79/61/55/530796155.db2.gz GQMFPBNEGVEZRV-NSHDSACASA-N 0 0 375.376 1.793 10 0 GDAERN CC(C)(C(=O)NCCCNS(C)(=O)=O)c1cccc(Br)c1 ZINC000102328473 530827330 /nfs/dbraw/zinc/82/73/30/530827330.db2.gz ZHXNEHKWPBYYEE-UHFFFAOYSA-N 0 0 377.304 1.782 10 0 GDAERN NC(=O)N[C@@H](CC(=O)N1CCN(c2cccs2)C(=O)C1)c1cccs1 ZINC000184352837 530827677 /nfs/dbraw/zinc/82/76/77/530827677.db2.gz KXSDACJNUBFQAN-NSHDSACASA-N 0 0 378.479 1.785 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@@H]1C ZINC000184749037 530831792 /nfs/dbraw/zinc/83/17/92/530831792.db2.gz MSAIVZHCLHBJHW-LBPRGKRZSA-N 0 0 384.424 1.177 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184966852 530834733 /nfs/dbraw/zinc/83/47/33/530834733.db2.gz YURVWJGIXNNBKT-GFCCVEGCSA-N 0 0 377.392 1.804 10 0 GDAERN COCCCCS(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000185033011 530834993 /nfs/dbraw/zinc/83/49/93/530834993.db2.gz YETLXVBXWICNMM-OAHLLOKOSA-N 0 0 376.544 1.810 10 0 GDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(OCC(F)(F)F)nc1 ZINC000183112645 530809371 /nfs/dbraw/zinc/80/93/71/530809371.db2.gz OEUNFWLHYSQJBD-JTQLQIEISA-N 0 0 377.348 1.428 10 0 GDAERN CCOCCOc1ccc(Br)cc1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093884485 530814078 /nfs/dbraw/zinc/81/40/78/530814078.db2.gz NDZGZLLRSVQAPV-HIFRSBDPSA-N 0 0 385.258 1.694 10 0 GDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1c(F)cccc1Br ZINC000097014761 530819972 /nfs/dbraw/zinc/81/99/72/530819972.db2.gz KDRSRTHSMWKVPH-JTQLQIEISA-N 0 0 375.223 1.993 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000098113343 530822856 /nfs/dbraw/zinc/82/28/56/530822856.db2.gz GHAVLPCRSXWMQG-JTQLQIEISA-N 0 0 387.914 1.948 10 0 GDAERN Cc1noc(CCNC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000101618344 530825437 /nfs/dbraw/zinc/82/54/37/530825437.db2.gz JHQIBUQHOPNEDH-UHFFFAOYSA-N 0 0 396.245 1.929 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1)C1CCC1 ZINC000186173927 530852317 /nfs/dbraw/zinc/85/23/17/530852317.db2.gz JURKZQPNHUOQTP-UHFFFAOYSA-N 0 0 384.326 1.671 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000186141584 530852720 /nfs/dbraw/zinc/85/27/20/530852720.db2.gz UKZLGULFOLOMSN-SNVBAGLBSA-N 0 0 382.408 1.890 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000186349132 530855987 /nfs/dbraw/zinc/85/59/87/530855987.db2.gz AVOOHBPEUXZRIE-SNVBAGLBSA-N 0 0 378.332 1.554 10 0 GDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000109944485 530865904 /nfs/dbraw/zinc/86/59/04/530865904.db2.gz PPPBXISFPVPMGV-LLVKDONJSA-N 0 0 384.274 1.659 10 0 GDAERN C[C@H](NC(N)=O)C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000110751187 530869820 /nfs/dbraw/zinc/86/98/20/530869820.db2.gz MPUPPNGGDTWNFV-ZETCQYMHSA-N 0 0 399.192 1.677 10 0 GDAERN COc1ccccc1CCN(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000104457465 530838458 /nfs/dbraw/zinc/83/84/58/530838458.db2.gz MBYVKAMPRBPFAC-UHFFFAOYSA-N 0 0 396.241 1.009 10 0 GDAERN Cc1cc(NC(=O)CNC(=O)NC[C@@H]2CN(C)CCO2)ccc1Br ZINC000104798059 530840820 /nfs/dbraw/zinc/84/08/20/530840820.db2.gz IXPXMTJTCXIFKG-CYBMUJFWSA-N 0 0 399.289 1.326 10 0 GDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000185696013 530845589 /nfs/dbraw/zinc/84/55/89/530845589.db2.gz WRSFEDPCRYBRIZ-UHFFFAOYSA-N 0 0 398.301 1.883 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccnc1)N1CCCC[C@@H]1c1nccs1 ZINC000115366859 530898711 /nfs/dbraw/zinc/89/87/11/530898711.db2.gz UHOZDLXYJFQEMY-CQSZACIVSA-N 0 0 380.495 1.960 10 0 GDAERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(C)cc1Br ZINC000116898362 530909274 /nfs/dbraw/zinc/90/92/74/530909274.db2.gz WHMNSLKNZNJGJH-LLVKDONJSA-N 0 0 385.287 1.951 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1CC ZINC000116899217 530909961 /nfs/dbraw/zinc/90/99/61/530909961.db2.gz XQECNKNQPKUDGW-HNNXBMFYSA-N 0 0 375.922 1.998 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187978231 530881865 /nfs/dbraw/zinc/88/18/65/530881865.db2.gz FKLCDVQBUNLQSU-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN CCc1csc([C@H]2CCCN(C(=O)NCC3CN(S(C)(=O)=O)C3)C2)n1 ZINC000188167117 530887486 /nfs/dbraw/zinc/88/74/86/530887486.db2.gz LXOJAIPEKBFLAX-ZDUSSCGKSA-N 0 0 386.543 1.486 10 0 GDAERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)C2)n1 ZINC000113944796 530891905 /nfs/dbraw/zinc/89/19/05/530891905.db2.gz OEVIDUCAJBDDAL-NSHDSACASA-N 0 0 382.511 1.711 10 0 GDAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@@H](O)C[C@H]1CO ZINC000188470481 530894926 /nfs/dbraw/zinc/89/49/26/530894926.db2.gz BWUGYCPWRPGDJE-KCXAZCMYSA-N 0 0 398.301 1.413 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c[nH]c(C)c(Br)c1=O ZINC000119776285 530931061 /nfs/dbraw/zinc/93/10/61/530931061.db2.gz WLVJSZQJUUHLMA-JTQLQIEISA-N 0 0 396.245 1.861 10 0 GDAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000190500958 530931086 /nfs/dbraw/zinc/93/10/86/530931086.db2.gz PVDLJYPGLHDNPF-CJNGLKHVSA-N 0 0 386.901 1.988 10 0 GDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000190500978 530931223 /nfs/dbraw/zinc/93/12/23/530931223.db2.gz PVDLJYPGLHDNPF-BBRMVZONSA-N 0 0 386.901 1.988 10 0 GDAERN O=C(NC1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1)C1CC1 ZINC000189423915 530913171 /nfs/dbraw/zinc/91/31/71/530913171.db2.gz CLGOADWKOBEBEK-UHFFFAOYSA-N 0 0 390.237 1.641 10 0 GDAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000190629264 530934143 /nfs/dbraw/zinc/93/41/43/530934143.db2.gz YMVWRYFFXBENPQ-ZIAGYGMSSA-N 0 0 386.901 1.988 10 0 GDAERN Cc1c(I)cccc1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189508296 530914643 /nfs/dbraw/zinc/91/46/43/530914643.db2.gz PJJMBSWAQILIPF-UHFFFAOYSA-N 0 0 384.217 1.950 10 0 GDAERN O=C(CCOCC(F)(F)C(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000189538721 530915214 /nfs/dbraw/zinc/91/52/14/530915214.db2.gz DEYROWUSTAUETI-LLVKDONJSA-N 0 0 390.399 1.320 10 0 GDAERN Cc1cnn(CCNC(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000118078093 530916389 /nfs/dbraw/zinc/91/63/89/530916389.db2.gz DYJPOVCOLMLSAY-UHFFFAOYSA-N 0 0 393.289 1.881 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccncc3I)CCO2)[nH]1 ZINC000120018232 530934394 /nfs/dbraw/zinc/93/43/94/530934394.db2.gz KKACNEAWHXKAAR-NSHDSACASA-N 0 0 399.192 1.326 10 0 GDAERN CN1CCCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1=O ZINC000189791160 530920349 /nfs/dbraw/zinc/92/03/49/530920349.db2.gz WYNAZZZSISZXTQ-UHFFFAOYSA-N 0 0 379.873 1.704 10 0 GDAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000189806351 530921369 /nfs/dbraw/zinc/92/13/69/530921369.db2.gz JTUHLRXARHPSLP-HNNXBMFYSA-N 0 0 380.495 1.875 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000119118581 530922405 /nfs/dbraw/zinc/92/24/05/530922405.db2.gz QXJURDJOANTMAX-CYBMUJFWSA-N 0 0 389.237 1.215 10 0 GDAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000119524936 530927373 /nfs/dbraw/zinc/92/73/73/530927373.db2.gz NOSQMARRTPJOEX-MRXNPFEDSA-N 0 0 384.454 1.829 10 0 GDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000190335677 530928285 /nfs/dbraw/zinc/92/82/85/530928285.db2.gz WLONPMCIFVDRSU-LBPRGKRZSA-N 0 0 399.216 1.641 10 0 GDAERN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cc(C)c1Br ZINC000190308682 530928288 /nfs/dbraw/zinc/92/82/88/530928288.db2.gz QRBAHUHWNWVAHW-CYBMUJFWSA-N 0 0 398.301 1.841 10 0 GDAERN Cc1ccc(N2CCCN(C(=O)c3cc(Br)nn3C)CC2)nn1 ZINC000192122158 530962560 /nfs/dbraw/zinc/96/25/60/530962560.db2.gz JOWKRJLCRQZTJG-UHFFFAOYSA-N 0 0 379.262 1.634 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000190678266 530935676 /nfs/dbraw/zinc/93/56/76/530935676.db2.gz YQHPESDIJOEWTC-MRVPVSSYSA-N 0 0 388.649 1.778 10 0 GDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)cn1 ZINC000120828131 530946170 /nfs/dbraw/zinc/94/61/70/530946170.db2.gz LUHLAJHFBQJMGE-LLVKDONJSA-N 0 0 387.458 1.141 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000191346807 530947333 /nfs/dbraw/zinc/94/73/33/530947333.db2.gz KEDAPBPVZFHOMV-UHFFFAOYSA-N 0 0 376.157 1.013 10 0 GDAERN Cc1noc([C@@H]2COCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)n1 ZINC000121181146 530951567 /nfs/dbraw/zinc/95/15/67/530951567.db2.gz KXQBZZHPJXZUKL-JTQLQIEISA-N 0 0 383.202 1.763 10 0 GDAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000121396907 530955866 /nfs/dbraw/zinc/95/58/66/530955866.db2.gz QBZIHPOTVSLXTM-KWQFWETISA-N 0 0 389.271 1.790 10 0 GDAERN O=C(COc1cccc(I)c1)N[C@@H]1CCCn2ncnc21 ZINC000192690121 530972710 /nfs/dbraw/zinc/97/27/10/530972710.db2.gz JJYOQAQQHOHVDM-GFCCVEGCSA-N 0 0 398.204 1.913 10 0 GDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193168191 530981178 /nfs/dbraw/zinc/98/11/78/530981178.db2.gz GZQPVWLUBIHGOA-GFCCVEGCSA-N 0 0 397.273 1.690 10 0 GDAERN COCCN1CCN(C(=O)c2cncc(I)c2)C[C@H]1C ZINC000122098992 530966875 /nfs/dbraw/zinc/96/68/75/530966875.db2.gz VOPFMRCMPDVLNH-LLVKDONJSA-N 0 0 389.237 1.479 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000192430209 530967917 /nfs/dbraw/zinc/96/79/17/530967917.db2.gz GQUXQLZAJJUTAY-VIFPVBQESA-N 0 0 398.286 1.873 10 0 GDAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000122418375 530971403 /nfs/dbraw/zinc/97/14/03/530971403.db2.gz CVOQZTSFQMODFV-VXGBXAGGSA-N 0 0 382.404 1.661 10 0 GDAERN CCn1c2ccc(Br)cc2nc1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193735443 530992129 /nfs/dbraw/zinc/99/21/29/530992129.db2.gz GGHSEBDHNSJUHE-BXUZGUMPSA-N 0 0 395.257 1.739 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C ZINC000124223003 530992768 /nfs/dbraw/zinc/99/27/68/530992768.db2.gz MCGSJJMWBLALSS-WDEREUQCSA-N 0 0 389.237 1.213 10 0 GDAERN O=C(COc1cccc(I)c1)N[C@H]1CCc2ncnn2C1 ZINC000194601210 531007289 /nfs/dbraw/zinc/00/72/89/531007289.db2.gz DYBIYKXVGMUEIO-NSHDSACASA-N 0 0 398.204 1.393 10 0 GDAERN CCn1c(SCC(=O)NC[C@@H]2CN(C)CCO2)nnc1-c1cccs1 ZINC000194616726 531007757 /nfs/dbraw/zinc/00/77/57/531007757.db2.gz VPCUGXIGXBSUJE-GFCCVEGCSA-N 0 0 381.527 1.565 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000125973700 531013564 /nfs/dbraw/zinc/01/35/64/531013564.db2.gz FEOMWBHFVGHWJS-SECBINFHSA-N 0 0 396.245 1.577 10 0 GDAERN O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCN2CCCC[C@H]2C1 ZINC000195072144 531014931 /nfs/dbraw/zinc/01/49/31/531014931.db2.gz XHMIVIMZGWXTGD-AWEZNQCLSA-N 0 0 383.539 1.843 10 0 GDAERN Cc1csc([C@H]2CN(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)CCO2)n1 ZINC000195384798 531022118 /nfs/dbraw/zinc/02/21/18/531022118.db2.gz MZLOBGKGFYSNRQ-JKSUJKDBSA-N 0 0 382.507 1.962 10 0 GDAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000126759592 531022288 /nfs/dbraw/zinc/02/22/88/531022288.db2.gz YMHRRYUUGBXWCU-NSHDSACASA-N 0 0 394.234 1.190 10 0 GDAERN C[C@H]1CN(S(=O)(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000246018996 531062218 /nfs/dbraw/zinc/06/22/18/531062218.db2.gz MVMYVUNOAFCQLK-UWVGGRQHSA-N 0 0 383.301 1.744 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](c2c(F)cccc2F)N(C)C)[C@H](C)CO1 ZINC000246107347 531063736 /nfs/dbraw/zinc/06/37/36/531063736.db2.gz HXBUFIOJTXMLOP-LALPHHSUSA-N 0 0 377.457 1.511 10 0 GDAERN CCN(C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1)CC(F)(F)F ZINC000246136286 531063851 /nfs/dbraw/zinc/06/38/51/531063851.db2.gz FQJQZGDJSLJQCL-MJBXVCDLSA-N 0 0 387.468 1.547 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000246307048 531065912 /nfs/dbraw/zinc/06/59/12/531065912.db2.gz VXJQLVWFMGBGAY-DOMZBBRYSA-N 0 0 378.491 1.478 10 0 GDAERN CN1CCO[C@H](CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000245201125 531056926 /nfs/dbraw/zinc/05/69/26/531056926.db2.gz FTGATHJLKMSQBD-HUUCEWRRSA-N 0 0 396.285 1.249 10 0 GDAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000247806754 531076457 /nfs/dbraw/zinc/07/64/57/531076457.db2.gz SVQKERIHOAFWEX-CYBMUJFWSA-N 0 0 385.306 1.825 10 0 GDAERN CC(C)OCCS(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248328456 531077872 /nfs/dbraw/zinc/07/78/72/531077872.db2.gz CUXKHOBIJPCPQV-LSDHHAIUSA-N 0 0 376.544 1.854 10 0 GDAERN CS(=O)(=O)N(CCN1CCO[C@@H](c2nccs2)C1)Cc1ccccc1 ZINC000248910933 531083423 /nfs/dbraw/zinc/08/34/23/531083423.db2.gz YAABHLDAHOXRNY-MRXNPFEDSA-N 0 0 381.523 1.978 10 0 GDAERN O=C(Cc1ccccc1I)N[C@H]1CCc2ncnn2C1 ZINC000132821094 531084345 /nfs/dbraw/zinc/08/43/45/531084345.db2.gz FUMVPDPCLOLNRU-NSHDSACASA-N 0 0 382.205 1.556 10 0 GDAERN O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H](O)CN1CCOCC1 ZINC000132912435 531085705 /nfs/dbraw/zinc/08/57/05/531085705.db2.gz KJXQBMMEDVCGCE-AWEZNQCLSA-N 0 0 396.285 1.282 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249433119 531087022 /nfs/dbraw/zinc/08/70/22/531087022.db2.gz HPXPMMYJRSSXHF-NWDGAFQWSA-N 0 0 375.903 1.840 10 0 GDAERN CS(=O)(=O)CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253350275 531092137 /nfs/dbraw/zinc/09/21/37/531092137.db2.gz CGOPRQGDJSBHEJ-ZIAGYGMSSA-N 0 0 378.416 1.458 10 0 GDAERN O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@H]1CNC(=O)C1 ZINC000134640953 531102102 /nfs/dbraw/zinc/10/21/02/531102102.db2.gz ILPHIBNUXUXORZ-GFCCVEGCSA-N 0 0 382.258 1.038 10 0 GDAERN O=S(=O)(c1cc(F)ccc1F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703804 531103202 /nfs/dbraw/zinc/10/32/02/531103202.db2.gz FISYZBWDRWJCQB-GFCCVEGCSA-N 0 0 380.438 1.153 10 0 GDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)NCCOc1cccc(Cl)c1 ZINC000131377754 531070834 /nfs/dbraw/zinc/07/08/34/531070834.db2.gz HKJGOUGAIAYJSL-RUZDIDTESA-N 0 0 385.877 1.351 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1sccc1Br ZINC000153176000 531163576 /nfs/dbraw/zinc/16/35/76/531163576.db2.gz WACNCDPVXOMRRK-JTQLQIEISA-N 0 0 381.317 1.652 10 0 GDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154190069 531179436 /nfs/dbraw/zinc/17/94/36/531179436.db2.gz OPHFQTGVVWZMMN-UHFFFAOYSA-N 0 0 392.257 1.922 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CCC(n2cncn2)CC1 ZINC000154344240 531181959 /nfs/dbraw/zinc/18/19/59/531181959.db2.gz CGPJEQDVDIOYNG-UHFFFAOYSA-N 0 0 392.257 1.634 10 0 GDAERN O=C(NCc1nc(C(F)(F)F)cs1)N1CCO[C@H](Cn2cccn2)C1 ZINC000155474294 531200481 /nfs/dbraw/zinc/20/04/81/531200481.db2.gz TYMDIQDYQBVKGD-JTQLQIEISA-N 0 0 375.376 1.969 10 0 GDAERN Cc1ccc2c(n1)OCCN2C(=O)CNC(=O)c1ccc(Br)o1 ZINC000155610426 531201962 /nfs/dbraw/zinc/20/19/62/531201962.db2.gz MOBKWAWEZMEBLM-UHFFFAOYSA-N 0 0 380.198 1.901 10 0 GDAERN O=C(NCCc1cc(Br)ccc1F)C1CC2(C1)NC(=O)NC2=O ZINC000155839856 531202986 /nfs/dbraw/zinc/20/29/86/531202986.db2.gz KUAXYTCLWRKCHR-UHFFFAOYSA-N 0 0 384.205 1.235 10 0 GDAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Br)c(C)[nH]c3=O)CCO2)[nH]1 ZINC000156453974 531204981 /nfs/dbraw/zinc/20/49/81/531204981.db2.gz QZRLQSXJGUZYDE-NSHDSACASA-N 0 0 396.245 1.752 10 0 GDAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCN2C)n1 ZINC000408025381 531212222 /nfs/dbraw/zinc/21/22/22/531212222.db2.gz BECHXTOARLEUGA-VIFPVBQESA-N 0 0 391.247 1.411 10 0 GDAERN CN1CCOC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000408030360 531213081 /nfs/dbraw/zinc/21/30/81/531213081.db2.gz GKBHHRXUYBQXAE-HNNXBMFYSA-N 0 0 386.279 1.608 10 0 GDAERN CC(=O)Nc1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000408111994 531219581 /nfs/dbraw/zinc/21/95/81/531219581.db2.gz HKQUYUIWARJCPF-UHFFFAOYSA-N 0 0 388.877 1.798 10 0 GDAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC(=O)N1 ZINC000408205985 531225633 /nfs/dbraw/zinc/22/56/33/531225633.db2.gz SEJNJHHYTIEFBD-NWDGAFQWSA-N 0 0 381.274 1.407 10 0 GDAERN Cn1cc(Br)cc1C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408242442 531228892 /nfs/dbraw/zinc/22/88/92/531228892.db2.gz UQNSRXIJKLOJCF-WDEREUQCSA-N 0 0 378.292 1.378 10 0 GDAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000408384857 531236843 /nfs/dbraw/zinc/23/68/43/531236843.db2.gz GWCRVMKVEMKQAH-CYZMBNFOSA-N 0 0 394.225 1.951 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@]2(C)CCCC[C@H]2O)CC1 ZINC000408447559 531242500 /nfs/dbraw/zinc/24/25/00/531242500.db2.gz YJHSBNDFCYIASW-WBVHZDCISA-N 0 0 375.535 1.429 10 0 GDAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@@H]2C1 ZINC000408460799 531243819 /nfs/dbraw/zinc/24/38/19/531243819.db2.gz RGXGEBZWLITORQ-DGCLKSJQSA-N 0 0 380.388 1.505 10 0 GDAERN O=S(=O)(N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000280549552 531511851 /nfs/dbraw/zinc/51/18/51/531511851.db2.gz TVYVUNJBLICFNF-FZMZJTMJSA-N 0 0 380.388 1.390 10 0 GDAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H](C)O1 ZINC000269595576 531696587 /nfs/dbraw/zinc/69/65/87/531696587.db2.gz FVIMIFBJCZMEGX-RKDXNWHRSA-N 0 0 377.260 1.346 10 0 GDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000284354550 531951683 /nfs/dbraw/zinc/95/16/83/531951683.db2.gz AVDDBYBHUMOPMW-HOTGVXAUSA-N 0 0 391.896 1.561 10 0 GDAERN C[C@H]1CN(S(=O)(=O)CCNc2ccc(Br)cn2)C[C@H](C)O1 ZINC000301370681 532033173 /nfs/dbraw/zinc/03/31/73/532033173.db2.gz PUCHPDQDUGKDNL-QWRGUYRKSA-N 0 0 378.292 1.695 10 0 GDAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCN2C)n1 ZINC000285184136 532043038 /nfs/dbraw/zinc/04/30/38/532043038.db2.gz UVTKDSUTSRHXPW-LBPRGKRZSA-N 0 0 376.360 1.473 10 0 GDAERN C[C@@H]1C(=O)CC[C@H]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000329182529 532098200 /nfs/dbraw/zinc/09/82/00/532098200.db2.gz FFBWAYQMEIKOGV-MEWQQHAOSA-N 0 0 384.420 1.272 10 0 GDAERN Cc1ccc(N2CCC[C@@H](Nc3cnn(C)c(=O)c3Br)C2)nn1 ZINC000329461111 532103488 /nfs/dbraw/zinc/10/34/88/532103488.db2.gz SNKMJDPFWCNPPN-LLVKDONJSA-N 0 0 379.262 1.722 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000330217211 532118080 /nfs/dbraw/zinc/11/80/80/532118080.db2.gz NRYVIQPUNLTLAI-BZUAXINKSA-N 0 0 376.544 1.314 10 0 GDAERN CN1C(=O)N[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000285935223 532121466 /nfs/dbraw/zinc/12/14/66/532121466.db2.gz VHCQKOBKBOBAOA-ILXRZTDVSA-N 0 0 393.285 1.652 10 0 GDAERN CS(=O)(=O)Nc1cccc2c1CCN(S(=O)(=O)[C@@H]1C[C@@H]3CC[C@H]1C3)C2 ZINC000333113066 532219962 /nfs/dbraw/zinc/21/99/62/532219962.db2.gz FJFRRKJAQVNFCR-IIYDPXPESA-N 0 0 384.523 1.935 10 0 GDAERN CS(=O)(=O)Nc1cccc2c1CCN(S(=O)(=O)[C@H]1C[C@@H]3CC[C@H]1C3)C2 ZINC000333113065 532220181 /nfs/dbraw/zinc/22/01/81/532220181.db2.gz FJFRRKJAQVNFCR-IGCXYCKISA-N 0 0 384.523 1.935 10 0 GDAERN C[C@@H]1C[C@@H](O)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333657443 532243678 /nfs/dbraw/zinc/24/36/78/532243678.db2.gz LNTVBGCLQYDBDG-VXGBXAGGSA-N 0 0 399.289 1.915 10 0 GDAERN CC[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000333807612 532250527 /nfs/dbraw/zinc/25/05/27/532250527.db2.gz FTPHEJMJFOUEKP-WISYIIOYSA-N 0 0 387.424 1.018 10 0 GDAERN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CC(CF)C1 ZINC000333931019 532258172 /nfs/dbraw/zinc/25/81/72/532258172.db2.gz ZPRQVVMCRUQHLF-UHFFFAOYSA-N 0 0 375.397 1.280 10 0 GDAERN COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@](O)(CO)[C@@H]2CO)ccc1O ZINC000004782906 204075216 /nfs/dbraw/zinc/07/52/16/204075216.db2.gz KCIQZCNOUZCRGH-XMCHAPAWSA-N 0 0 376.405 1.135 10 0 GDAERN COc1cccc2c1cc1c(=O)n(CC(=O)NCc3ccccn3)nc(C)n12 ZINC000006749729 204199926 /nfs/dbraw/zinc/19/99/26/204199926.db2.gz SUSCAFMSVYTQKI-UHFFFAOYSA-N 0 0 377.404 1.678 10 0 GDAERN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)c(F)c1 ZINC000012314133 204396462 /nfs/dbraw/zinc/39/64/62/204396462.db2.gz YKBVULJXSRNWIH-SFHVURJKSA-N 0 0 377.460 1.974 10 0 GDAERN CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(c3ccccc3-c3oc(N)nc32)C(=O)N1 ZINC000020167491 204703610 /nfs/dbraw/zinc/70/36/10/204703610.db2.gz YRHMOSGRWULWQO-HXUWFJFHSA-N 0 0 397.387 1.424 10 0 GDAERN CCOC(=O)CN1C(=O)[C@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OC)=C1C ZINC000020167604 204704836 /nfs/dbraw/zinc/70/48/36/204704836.db2.gz MVKZCXYSHJJXHN-HXUWFJFHSA-N 0 0 397.387 1.376 10 0 GDAERN Cc1nnc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1 ZINC000020354653 204712502 /nfs/dbraw/zinc/71/25/02/204712502.db2.gz QBUONWRGENPHSK-ZDUSSCGKSA-N 0 0 393.513 1.671 10 0 GDAERN O=Cc1cccn1-c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)s1 ZINC000049455307 205126980 /nfs/dbraw/zinc/12/69/80/205126980.db2.gz DJANDNHTAHKECW-UHFFFAOYSA-N 0 0 375.454 1.217 10 0 GDAERN O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCC1(O)CCCCC1 ZINC000055386531 205148810 /nfs/dbraw/zinc/14/88/10/205148810.db2.gz UUAYUVNHTLGDHJ-QPGLYAHGSA-N 0 0 385.508 1.702 10 0 GDAERN O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)Nc1ccc2c(c1)OCO2 ZINC000067317335 205245717 /nfs/dbraw/zinc/24/57/17/205245717.db2.gz COCCIKQMOVWGDD-UHFFFAOYSA-N 0 0 395.419 1.523 10 0 GDAERN CC1=C(C(=O)N2CCc3n[nH]cc3C2)[C@H](c2nc3ccccc3[nH]2)NC(=O)N1 ZINC000067756588 205257854 /nfs/dbraw/zinc/25/78/54/205257854.db2.gz GJDHVVFQYLYPLI-MRXNPFEDSA-N 0 0 377.408 1.499 10 0 GDAERN CC(C)C(=O)N1CCN(Cc2ccc3ccccc3n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072457093 205352918 /nfs/dbraw/zinc/35/29/18/205352918.db2.gz RMOWWIGRXIBPNX-RBUKOAKNSA-N 0 0 387.505 1.701 10 0 GDAERN Cc1nnc(SCC(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 ZINC000222616219 205983544 /nfs/dbraw/zinc/98/35/44/205983544.db2.gz YFYUPQSEXZYFKM-KRWDZBQOSA-N 0 0 385.449 1.791 10 0 GDAERN Cn1c(=O)cc(N2CCCN(C(=O)Cc3ccc(Cl)cc3)CC2)n(C)c1=O ZINC000065024310 206106329 /nfs/dbraw/zinc/10/63/29/206106329.db2.gz WRSHTEUDKPTMNA-UHFFFAOYSA-N 0 0 390.871 1.019 10 0 GDAERN O=C(CCc1ccnc(N2CCOCC2)c1)N1CCN(c2ccccn2)CC1 ZINC000065269717 136162318 /nfs/dbraw/zinc/16/23/18/136162318.db2.gz PLZULHJSYNAFGU-UHFFFAOYSA-N 0 0 381.480 1.595 10 0 GDAERN COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cc(C)n3cnnc3n2)CC1 ZINC000065311713 136163148 /nfs/dbraw/zinc/16/31/48/136163148.db2.gz AFMNEFTTWJRJGD-HNNXBMFYSA-N 0 0 396.451 1.557 10 0 GDAERN Cc1cccc2c(=O)n(CC(=O)N3CCC(Nc4cccnn4)CC3)cnc12 ZINC000109636530 570213084 /nfs/dbraw/zinc/21/30/84/570213084.db2.gz AAIXSDMYRPKIDY-UHFFFAOYSA-N 0 0 378.436 1.598 10 0 GDAERN CCOC(=O)CN1c2n[nH]c(C)c2[C@]2(c3ccccc3-c3oc(N)nc32)C1=O ZINC000020167666 570245661 /nfs/dbraw/zinc/24/56/61/570245661.db2.gz KAMJSXPRXWYCDB-IBGZPJMESA-N 0 0 379.376 1.513 10 0 GDAERN COCCN(C[C@@H]1CN(C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667295 570292679 /nfs/dbraw/zinc/29/26/79/570292679.db2.gz LWKAOHJBCXNHAN-RBUKOAKNSA-N 0 0 382.476 1.632 10 0 GDAERN CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccco2)OC(N2CCOCC2)=N1 ZINC000003103456 570328738 /nfs/dbraw/zinc/32/87/38/570328738.db2.gz IAILYSVKHUDLCM-CQSZACIVSA-N 0 0 375.303 1.566 10 0 GDAERN O=C(CCCN1CCCC1=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000219295840 570351664 /nfs/dbraw/zinc/35/16/64/570351664.db2.gz HYBAOIOZMTYZNN-OAQYLSRUSA-N 0 0 382.464 1.710 10 0 GDAERN CCn1c(=O)c(=O)n(CC(=O)N[C@@H]2CCCc3ccccc32)c2cccnc21 ZINC000035449800 570362282 /nfs/dbraw/zinc/36/22/82/570362282.db2.gz MZOGDUMLICOYIN-MRXNPFEDSA-N 0 0 378.432 1.772 10 0 GDAERN C[C@@H](C(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1)c1ccccc1 ZINC000096333009 570620337 /nfs/dbraw/zinc/62/03/37/570620337.db2.gz FYLWCUPPRCTOCJ-OAHLLOKOSA-N 0 0 377.448 1.781 10 0 GDAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc2C[C@@H]1C ZINC000176744602 570723457 /nfs/dbraw/zinc/72/34/57/570723457.db2.gz RFHDMADZPAPXRB-NHYWBVRUSA-N 0 0 375.454 1.389 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000097086291 570889929 /nfs/dbraw/zinc/88/99/29/570889929.db2.gz FVRQYBNNAYHPPW-LBPRGKRZSA-N 0 0 398.872 1.826 10 0 GDAERN O=C(NCc1ccco1)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1ccccc1 ZINC000097086795 570890483 /nfs/dbraw/zinc/89/04/83/570890483.db2.gz ZTSNZADPIVHPKX-ZQIUZPCESA-N 0 0 375.450 1.931 10 0 GDAERN O=C1NCCc2ccc(S(=O)(=O)N3C[C@H](CO)[C@@H](c4ccsc4)C3)cc21 ZINC000249473713 570894589 /nfs/dbraw/zinc/89/45/89/570894589.db2.gz SQVFZJVLZZPORA-RHSMWYFYSA-N 0 0 392.502 1.431 10 0 GDAERN NC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000198728796 570966843 /nfs/dbraw/zinc/96/68/43/570966843.db2.gz FGJCTFBLTVQOCN-KQZSUJQPSA-N 0 0 380.448 1.576 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1scc(Br)c1Br ZINC000528950383 649931716 /nfs/dbraw/zinc/93/17/16/649931716.db2.gz WWBGIVBBXXPNIM-LURJTMIESA-N 0 0 398.076 1.599 10 0 GDAERN CCCC(=O)N[C@@H]1CCCN(Cn2nc(N3CCOCC3)sc2=S)C1 ZINC000101538703 644596944 /nfs/dbraw/zinc/59/69/44/644596944.db2.gz DRPCTFMPKNTWIC-CYBMUJFWSA-N 0 0 385.559 1.849 10 0 GDAERN CN(CCS(C)(=O)=O)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000102756407 644599585 /nfs/dbraw/zinc/59/95/85/644599585.db2.gz PYHIPCZLQHJRQZ-UHFFFAOYSA-N 0 0 378.479 1.663 10 0 GDAERN CC(=O)N[C@@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000123790544 644699549 /nfs/dbraw/zinc/69/95/49/644699549.db2.gz GPQFJQKQFNZXDX-GFCCVEGCSA-N 0 0 379.258 1.717 10 0 GDAERN COc1ccc(Br)c(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126816149 644723164 /nfs/dbraw/zinc/72/31/64/644723164.db2.gz KRTKXRMZZRSGIZ-VIFPVBQESA-N 0 0 377.260 1.173 10 0 GDAERN O=C(CCn1cc(Br)ccc1=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126909388 644723333 /nfs/dbraw/zinc/72/33/33/644723333.db2.gz LRWJKARTADLKNN-ZDUSSCGKSA-N 0 0 394.273 1.531 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)nc1 ZINC000134189934 644758306 /nfs/dbraw/zinc/75/83/06/644758306.db2.gz HMIHGMWUNGGNHF-NSHDSACASA-N 0 0 376.276 1.987 10 0 GDAERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ncccc1Br ZINC000193600427 645053744 /nfs/dbraw/zinc/05/37/44/645053744.db2.gz SKWGEVIZHAODHN-OCCSQVGLSA-N 0 0 396.197 1.577 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)c2cc(I)ccc2O)C[C@@H]1C ZINC000228545692 645076743 /nfs/dbraw/zinc/07/67/43/645076743.db2.gz RPXROYFPXWMWAO-KWQFWETISA-N 0 0 389.189 1.878 10 0 GDAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)n1 ZINC000328609328 645272195 /nfs/dbraw/zinc/27/21/95/645272195.db2.gz CWKLUNOBFHXOSB-HNNXBMFYSA-N 0 0 389.836 1.848 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3cnn4cc(Br)cnc34)C[C@@H]21 ZINC000328847396 645282402 /nfs/dbraw/zinc/28/24/02/645282402.db2.gz AQKCSLKWKOKLIW-STQMWFEESA-N 0 0 380.246 1.037 10 0 GDAERN CCc1csc([C@@H]2CCCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000329385816 645310296 /nfs/dbraw/zinc/31/02/96/645310296.db2.gz QDHMCQXQQMSHKM-HIFRSBDPSA-N 0 0 385.555 1.530 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329657966 645319580 /nfs/dbraw/zinc/31/95/80/645319580.db2.gz HANUARBLQTXNCK-SNVBAGLBSA-N 0 0 391.233 1.031 10 0 GDAERN CN1C[C@@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1=O ZINC000683196361 654770630 /nfs/dbraw/zinc/77/06/30/654770630.db2.gz ODWKJHHVOYAVRI-MRVPVSSYSA-N 0 0 381.679 1.859 10 0 GDAERN O=C([C@@H]1CN(Cc2ccncc2)C[C@H]1C(F)(F)F)N1CCS(=O)CC1 ZINC000888103147 657863542 /nfs/dbraw/zinc/86/35/42/657863542.db2.gz KEVMKETVUYFDRR-ZIAGYGMSSA-N 0 0 375.416 1.283 10 0 GDAERN CC[C@H](O)CN1CCN(c2nc(C)c(C(=O)OC)cc2Br)CC1 ZINC000892583750 658335171 /nfs/dbraw/zinc/33/51/71/658335171.db2.gz DOAJBXYTBNDUPR-LBPRGKRZSA-N 0 0 386.290 1.832 10 0 GDAERN CCOc1ncnc2c1CN(Cc1c(I)cnn1C)CC2 ZINC000893992936 658486862 /nfs/dbraw/zinc/48/68/62/658486862.db2.gz XEQKRXAQSZDHSV-UHFFFAOYSA-N 0 0 399.236 1.772 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000708533375 977434089 /nfs/dbraw/zinc/43/40/89/977434089.db2.gz QDHRYNOKEOTOER-GOEBONIOSA-N 0 0 392.481 1.014 10 0 GDAERN CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC000715527475 977764747 /nfs/dbraw/zinc/76/47/47/977764747.db2.gz QAWZNXNAPYSXHM-FGTMMUONSA-N 0 0 377.485 1.932 10 0 GDAERN C[C@@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000715567467 977771445 /nfs/dbraw/zinc/77/14/45/977771445.db2.gz WEJQXZGRTFUUIG-KBAYOESNSA-N 0 0 375.469 1.782 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000718062027 977938925 /nfs/dbraw/zinc/93/89/25/977938925.db2.gz GXUAUOBAYGXPCY-QGZVFWFLSA-N 0 0 392.481 1.157 10 0 GDAERN CCOC(=O)C1=C(NC(=O)CSc2nnnn2C)S[C@H]2CCCC[C@H]12 ZINC000004735867 530536696 /nfs/dbraw/zinc/53/66/96/530536696.db2.gz AARBTZYURUTCNL-UWVGGRQHSA-N 0 0 383.499 1.499 10 0 GDAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C[C@@H](O)C(C)C)s1 ZINC000159015038 530539367 /nfs/dbraw/zinc/53/93/67/530539367.db2.gz SGLKZNRPNUUDQA-CQSZACIVSA-N 0 0 376.544 1.844 10 0 GDAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000162113833 530565602 /nfs/dbraw/zinc/56/56/02/530565602.db2.gz SAFRYAYXAYCVRA-IUODEOHRSA-N 0 0 378.274 1.734 10 0 GDAERN Cc1ccc(N2CCCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)nn1 ZINC000162708537 530570262 /nfs/dbraw/zinc/57/02/62/530570262.db2.gz NFDDZFIXYWKFSM-UHFFFAOYSA-N 0 0 380.495 1.603 10 0 GDAERN C[C@H]1CN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000171698576 530601632 /nfs/dbraw/zinc/60/16/32/530601632.db2.gz SVZUEUFSEHWMLF-UONOGXRCSA-N 0 0 388.580 1.701 10 0 GDAERN CC(=O)NC[C@@H]1CN(C[C@H](O)COc2cccc(Br)c2)CCO1 ZINC000172189709 530609781 /nfs/dbraw/zinc/60/97/81/530609781.db2.gz WZMZZZWQKLMURB-GOEBONIOSA-N 0 0 387.274 1.026 10 0 GDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)CC2 ZINC000173645544 530634090 /nfs/dbraw/zinc/63/40/90/530634090.db2.gz PUSDPTZIFYYVMC-SNVBAGLBSA-N 0 0 380.246 1.597 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1Br ZINC000172994667 530620859 /nfs/dbraw/zinc/62/08/59/530620859.db2.gz LECLNIKIEOAYPY-CYBMUJFWSA-N 0 0 375.288 1.999 10 0 GDAERN O=S(=O)(NCc1cccnc1-n1cncn1)c1ccccc1Br ZINC000045745611 530646079 /nfs/dbraw/zinc/64/60/79/530646079.db2.gz MAJWPKJFOXZGRI-UHFFFAOYSA-N 0 0 394.254 1.903 10 0 GDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)N1CCOCC1 ZINC000174629140 530651703 /nfs/dbraw/zinc/65/17/03/530651703.db2.gz IOJGUUZLLQCXSG-JTQLQIEISA-N 0 0 388.237 1.364 10 0 GDAERN C[C@@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)N1CCOCC1 ZINC000047880028 530663336 /nfs/dbraw/zinc/66/33/36/530663336.db2.gz JVXCEZVYYVHMCM-JTQLQIEISA-N 0 0 389.271 1.314 10 0 GDAERN C[C@H](SC[C@H](O)CO)C(=O)Nc1cccc(I)c1 ZINC000177410180 530702430 /nfs/dbraw/zinc/70/24/30/530702430.db2.gz SGCYATMQVZBEDA-GZMMTYOYSA-N 0 0 381.235 1.705 10 0 GDAERN C[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000055312760 530708290 /nfs/dbraw/zinc/70/82/90/530708290.db2.gz WKFJTBGLJDBLSV-KBPBESRZSA-N 0 0 386.901 1.988 10 0 GDAERN Cc1nc(SCC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)n[nH]1 ZINC000177968220 530713892 /nfs/dbraw/zinc/71/38/92/530713892.db2.gz FVLJLZQJDHBXKV-ZDUSSCGKSA-N 0 0 381.527 1.799 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177985040 530714433 /nfs/dbraw/zinc/71/44/33/530714433.db2.gz VSQCYTQCVSTYIB-JTQLQIEISA-N 0 0 381.234 1.704 10 0 GDAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC[C@]1(O)CCOC1 ZINC000179544806 530743525 /nfs/dbraw/zinc/74/35/25/530743525.db2.gz FFDWGVPYNNXSMI-CXAGYDPISA-N 0 0 398.301 1.726 10 0 GDAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1cccc(Br)c1 ZINC000180218080 530760365 /nfs/dbraw/zinc/76/03/65/530760365.db2.gz HFVSFINXENGEAG-AWEZNQCLSA-N 0 0 393.241 1.270 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000180223752 530760369 /nfs/dbraw/zinc/76/03/69/530760369.db2.gz RBZWCWZDTJCMOO-LBPRGKRZSA-N 0 0 394.229 1.414 10 0 GDAERN C[C@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1N1CCOCC1 ZINC000179649667 530746484 /nfs/dbraw/zinc/74/64/84/530746484.db2.gz VYLZBUJXAXHFLP-FZMZJTMJSA-N 0 0 394.273 1.285 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cnc1Br ZINC000182761262 530804156 /nfs/dbraw/zinc/80/41/56/530804156.db2.gz JDGQCINONIRCBK-NSHDSACASA-N 0 0 392.257 1.841 10 0 GDAERN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(Br)n1 ZINC000182808442 530804780 /nfs/dbraw/zinc/80/47/80/530804780.db2.gz RERUBVXJSRNDOC-LLVKDONJSA-N 0 0 375.226 1.884 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)ccc1Br ZINC000181690188 530789433 /nfs/dbraw/zinc/78/94/33/530789433.db2.gz KZQBIPARYMNYDB-HNNXBMFYSA-N 0 0 399.314 1.826 10 0 GDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)C2)c1 ZINC000184608561 530829310 /nfs/dbraw/zinc/82/93/10/530829310.db2.gz NGKWQDDVAYTIBR-GFCCVEGCSA-N 0 0 377.392 1.976 10 0 GDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1cccc(Br)c1 ZINC000182954630 530808072 /nfs/dbraw/zinc/80/80/72/530808072.db2.gz QCPXSUCVKBHVSY-SNVBAGLBSA-N 0 0 378.226 1.964 10 0 GDAERN Cn1nccc1CNC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000101606532 530824973 /nfs/dbraw/zinc/82/49/73/530824973.db2.gz DMKCAUIDFWLEFT-UHFFFAOYSA-N 0 0 394.273 1.802 10 0 GDAERN Brc1ccccc1-n1nnnc1CN1CCC[C@H](n2cncn2)C1 ZINC000106217837 530846831 /nfs/dbraw/zinc/84/68/31/530846831.db2.gz DCEVGMILEKFNOG-LBPRGKRZSA-N 0 0 389.261 1.853 10 0 GDAERN CC(C)n1nnnc1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000107078648 530852256 /nfs/dbraw/zinc/85/22/56/530852256.db2.gz YUDYHRYKYBZENU-OAHLLOKOSA-N 0 0 393.245 1.984 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000186187431 530853109 /nfs/dbraw/zinc/85/31/09/530853109.db2.gz HKXWUVIXINDVMG-RDJZCZTQSA-N 0 0 389.249 1.953 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000186319011 530855050 /nfs/dbraw/zinc/85/50/50/530855050.db2.gz ABQFIGTZWHJZLY-UHFFFAOYSA-N 0 0 384.205 1.657 10 0 GDAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000109427287 530862746 /nfs/dbraw/zinc/86/27/46/530862746.db2.gz LVLKCBMLEUIFGI-KGLIPLIRSA-N 0 0 384.263 1.993 10 0 GDAERN CCCNC(=O)CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570117 530842789 /nfs/dbraw/zinc/84/27/89/530842789.db2.gz LVEPUMFBPPGBNQ-UHFFFAOYSA-N 0 0 395.261 1.560 10 0 GDAERN O=C(c1ccc(I)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000105569796 530842866 /nfs/dbraw/zinc/84/28/66/530842866.db2.gz WDWSRYAWTCWKSJ-AWEZNQCLSA-N 0 0 386.233 1.838 10 0 GDAERN CCn1c(SCC(=O)N2CCCNC(=O)[C@H]2C)nnc1-c1cccs1 ZINC000188907925 530903259 /nfs/dbraw/zinc/90/32/59/530903259.db2.gz OZIYHQKWDMTUKY-LLVKDONJSA-N 0 0 379.511 1.856 10 0 GDAERN COc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1I ZINC000188930688 530903775 /nfs/dbraw/zinc/90/37/75/530903775.db2.gz LIWBEZGALZXPPD-SECBINFHSA-N 0 0 388.205 1.650 10 0 GDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000189134057 530907954 /nfs/dbraw/zinc/90/79/54/530907954.db2.gz KXDZYNOTJGQPRW-VIFPVBQESA-N 0 0 386.168 1.925 10 0 GDAERN O=C(NCc1c(F)cc(Br)cc1F)N1CCN2C(=O)NC[C@H]2C1 ZINC000187917802 530880452 /nfs/dbraw/zinc/88/04/52/530880452.db2.gz WJZVMFWDPNFLDB-VIFPVBQESA-N 0 0 389.200 1.646 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000112654664 530883576 /nfs/dbraw/zinc/88/35/76/530883576.db2.gz CCLORCMHXQZSNI-GFCCVEGCSA-N 0 0 387.241 1.971 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000188084577 530883980 /nfs/dbraw/zinc/88/39/80/530883980.db2.gz RGOQRHVYSBWMDV-BXUZGUMPSA-N 0 0 394.269 1.539 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000188121397 530885528 /nfs/dbraw/zinc/88/55/28/530885528.db2.gz RXWVFIDAGLGOFI-NSHDSACASA-N 0 0 378.230 1.419 10 0 GDAERN CN1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1=O ZINC000188167810 530888081 /nfs/dbraw/zinc/88/80/81/530888081.db2.gz LQGBMXXDBIPFTG-LBPRGKRZSA-N 0 0 394.269 1.493 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1Cl ZINC000113298917 530889100 /nfs/dbraw/zinc/88/91/00/530889100.db2.gz IURCOKMFRJKBNL-SECBINFHSA-N 0 0 391.678 1.987 10 0 GDAERN Cc1cc(N2CCN(C(=O)C(=O)Nc3ccccc3Br)CC2)n[nH]1 ZINC000188318817 530891499 /nfs/dbraw/zinc/89/14/99/530891499.db2.gz MCKARCIYGZDFKC-UHFFFAOYSA-N 0 0 392.257 1.768 10 0 GDAERN O=C(c1ccncc1I)N1CC[C@@H](N2CCOCC2)C1 ZINC000120002304 530934654 /nfs/dbraw/zinc/93/46/54/530934654.db2.gz HRJBGUKGVJDJOK-LLVKDONJSA-N 0 0 387.221 1.233 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C[C@H]1C ZINC000117522830 530912670 /nfs/dbraw/zinc/91/26/70/530912670.db2.gz RTAUPPREPSBWQG-CYBMUJFWSA-N 0 0 398.301 1.875 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000189469918 530914225 /nfs/dbraw/zinc/91/42/25/530914225.db2.gz LABDAYRGEDMRBV-CQSZACIVSA-N 0 0 384.274 1.303 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117773949 530914221 /nfs/dbraw/zinc/91/42/21/530914221.db2.gz KWOFWWNGVMXHHP-CYBMUJFWSA-N 0 0 397.248 1.834 10 0 GDAERN Cc1cnn(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)c1 ZINC000117812710 530914230 /nfs/dbraw/zinc/91/42/30/530914230.db2.gz YMGCUDIOABZMQW-UHFFFAOYSA-N 0 0 379.258 1.890 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(CC(F)(F)F)cc1 ZINC000189980252 530924163 /nfs/dbraw/zinc/92/41/63/530924163.db2.gz YIYQQSLIYMJCQJ-CQSZACIVSA-N 0 0 378.416 1.933 10 0 GDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(Br)nn3C)C2)n1 ZINC000192121839 530962244 /nfs/dbraw/zinc/96/22/44/530962244.db2.gz QSUMDMBALSCFNO-LBPRGKRZSA-N 0 0 381.278 1.943 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000190680673 530935332 /nfs/dbraw/zinc/93/53/32/530935332.db2.gz BFTZSZLFXNCGMV-SSDOTTSWSA-N 0 0 390.184 1.403 10 0 GDAERN O=S(=O)(c1ccc(F)c(F)c1F)N1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000120600602 530943639 /nfs/dbraw/zinc/94/36/39/530943639.db2.gz LEKVIXSXMYQHTK-OLZOCXBDSA-N 0 0 378.416 1.714 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000120827217 530946040 /nfs/dbraw/zinc/94/60/40/530946040.db2.gz FOAQFZNWGCBAMB-ZDUSSCGKSA-N 0 0 383.495 1.392 10 0 GDAERN O=C(Nc1cc(Br)ccc1N1CCCC1)C(=O)N1CCC[C@@H]1CO ZINC000121225198 530951984 /nfs/dbraw/zinc/95/19/84/530951984.db2.gz AYWNLJXSICLYOB-CYBMUJFWSA-N 0 0 396.285 1.971 10 0 GDAERN CCn1cc([C@@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCO2)cn1 ZINC000191716388 530953650 /nfs/dbraw/zinc/95/36/50/530953650.db2.gz MOSBZOGYHOOROK-AWEZNQCLSA-N 0 0 395.257 1.427 10 0 GDAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000122646292 530974267 /nfs/dbraw/zinc/97/42/67/530974267.db2.gz HORDSWXJIFSAMI-GFCCVEGCSA-N 0 0 383.861 1.447 10 0 GDAERN COC(=O)c1cc(I)cc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000122802487 530976436 /nfs/dbraw/zinc/97/64/36/530976436.db2.gz TYLGZCITMJKTCE-QMMMGPOBSA-N 0 0 388.161 1.152 10 0 GDAERN CC(C)(C)OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000192930988 530976643 /nfs/dbraw/zinc/97/66/43/530976643.db2.gz 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530987186 /nfs/dbraw/zinc/98/71/86/530987186.db2.gz WWNFPLTYFHLMSN-TZMCWYRMSA-N 0 0 376.210 1.557 10 0 GDAERN Cn1cc([C@@H]2CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)cn1 ZINC000125473718 531006494 /nfs/dbraw/zinc/00/64/94/531006494.db2.gz NCUDWPBZTLCHFO-ZDUSSCGKSA-N 0 0 383.499 1.307 10 0 GDAERN CN1CCO[C@H](CNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000194631123 531008068 /nfs/dbraw/zinc/00/80/68/531008068.db2.gz YALMULUSVMQPCG-LLVKDONJSA-N 0 0 377.666 1.928 10 0 GDAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000195051081 531013842 /nfs/dbraw/zinc/01/38/42/531013842.db2.gz HRWSLFZUCNMNPF-SNVBAGLBSA-N 0 0 390.433 1.912 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)Cc1cn2cc(Br)ccc2n1 ZINC000195426572 531022374 /nfs/dbraw/zinc/02/23/74/531022374.db2.gz SHWJBBHSVSDTHJ-UHFFFAOYSA-N 0 0 399.274 1.779 10 0 GDAERN O=C(c1cc(I)c[nH]1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127214215 531027349 /nfs/dbraw/zinc/02/73/49/531027349.db2.gz DFLGUCIYVSYZNR-SNVBAGLBSA-N 0 0 385.209 1.763 10 0 GDAERN 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Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)sc1C ZINC000055383912 205148209 /nfs/dbraw/zinc/14/82/09/205148209.db2.gz HRMKSAGTDNCLML-INIZCTEOSA-N 0 0 390.484 1.906 10 0 GDAERN O=C(NC[C@@H]1CCCO1)c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000065129954 205211795 /nfs/dbraw/zinc/21/17/95/205211795.db2.gz WQAXQEKIAWQRBH-IBGZPJMESA-N 0 0 399.491 1.709 10 0 GDAERN COc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCN(C)CC2)c1 ZINC000064759126 205194068 /nfs/dbraw/zinc/19/40/68/205194068.db2.gz DXVYVHYZNQRDJE-UHFFFAOYSA-N 0 0 394.479 1.981 10 0 GDAERN COc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCN(C)CC2)cc1 ZINC000064759053 205194198 /nfs/dbraw/zinc/19/41/98/205194198.db2.gz BIBVPJIHGSGGGH-UHFFFAOYSA-N 0 0 394.479 1.981 10 0 GDAERN CNC(=O)c1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)c1 ZINC000065409645 205235423 /nfs/dbraw/zinc/23/54/23/205235423.db2.gz JJHODLOVYYFWNS-IBGZPJMESA-N 0 0 394.475 1.053 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1Cl ZINC000211824063 205926364 /nfs/dbraw/zinc/92/63/64/205926364.db2.gz YBZHKEKFSDGNPV-UHFFFAOYSA-N 0 0 394.883 1.840 10 0 GDAERN Cc1nn(CC(=O)N2CCCn3nc([C@@H](C)O)cc3C2)c(=O)c2ccccc12 ZINC000222348428 205977215 /nfs/dbraw/zinc/97/72/15/205977215.db2.gz AWRSPVHUVDCHKV-CQSZACIVSA-N 0 0 381.436 1.387 10 0 GDAERN CCOCCCNC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1 ZINC000064926229 136158116 /nfs/dbraw/zinc/15/81/16/136158116.db2.gz XYDFDKGCQCXIBD-UHFFFAOYSA-N 0 0 387.484 1.675 10 0 GDAERN CC(C)NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295716 136162925 /nfs/dbraw/zinc/16/29/25/136162925.db2.gz PBXHPHYWUZMIMS-UHFFFAOYSA-N 0 0 380.456 1.073 10 0 GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccncc3)nc(-c3cnccn3)n2)CC1 ZINC000073685617 527611408 /nfs/dbraw/zinc/61/14/08/527611408.db2.gz HBAITHJXIVLTDB-UHFFFAOYSA-N 0 0 377.408 1.202 10 0 GDAERN CN(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cc(=O)c4ccccc4[nH]3)C[C@]2(C(=O)[O-])C1 ZINC000096149517 570214848 /nfs/dbraw/zinc/21/48/48/570214848.db2.gz UFJCCHJHKMHTNC-RBZFPXEDSA-N 0 0 384.436 1.440 10 0 GDAERN CCCN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@H](O)COC ZINC000036207268 570569059 /nfs/dbraw/zinc/56/90/59/570569059.db2.gz MIQMWXNGCQBVDV-LBPRGKRZSA-N 0 0 397.497 1.689 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000106396492 644613631 /nfs/dbraw/zinc/61/36/31/644613631.db2.gz IASQGPZQQIOSIB-ZDUSSCGKSA-N 0 0 376.425 1.212 10 0 GDAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111080885 644627053 /nfs/dbraw/zinc/62/70/53/644627053.db2.gz YUNFPWPJLRREDT-SNVBAGLBSA-N 0 0 391.421 1.482 10 0 GDAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000125544593 644714560 /nfs/dbraw/zinc/71/45/60/644714560.db2.gz KYENJBWFKUZXSE-SECBINFHSA-N 0 0 382.305 1.503 10 0 GDAERN C[C@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccccc1Br ZINC000126522078 644720749 /nfs/dbraw/zinc/72/07/49/644720749.db2.gz SLBHFAWXPDPBCU-QWRGUYRKSA-N 0 0 375.288 1.403 10 0 GDAERN S=c1n(Cc2cccs2)nnn1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152793913 644790273 /nfs/dbraw/zinc/79/02/73/644790273.db2.gz SSDASUPOVIUZNS-ZDUSSCGKSA-N 0 0 377.499 1.474 10 0 GDAERN Cc1csc([C@@H]2CCCN(Cn3nc(CCC(N)=O)n(C)c3=S)C2)n1 ZINC000195306175 645068878 /nfs/dbraw/zinc/06/88/78/645068878.db2.gz CRKJAOLZAOWFJB-GFCCVEGCSA-N 0 0 380.543 1.971 10 0 GDAERN Cc1nn(CC(=O)NCCc2nnc3ccccn32)c(C)c1Br ZINC000222417318 645073750 /nfs/dbraw/zinc/07/37/50/645073750.db2.gz LANOZXJXNDXRBC-UHFFFAOYSA-N 0 0 377.246 1.664 10 0 GDAERN CN1CCO[C@H](CNS(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000254885738 645106130 /nfs/dbraw/zinc/10/61/30/645106130.db2.gz NLQGDUCTUXVEFN-BMWLXYDHSA-N 0 0 375.288 1.670 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)C[C@@H](C(N)=O)O1 ZINC000255641305 645112061 /nfs/dbraw/zinc/11/20/61/645112061.db2.gz PSHKBHJEUGHEMD-IXALROIGSA-N 0 0 389.271 1.324 10 0 GDAERN O=S(=O)(C1CCS(=O)(=O)CC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000328724482 645274019 /nfs/dbraw/zinc/27/40/19/645274019.db2.gz SWGOCPXPPMVZAF-HNNXBMFYSA-N 0 0 383.495 1.607 10 0 GDAERN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000329576282 645317195 /nfs/dbraw/zinc/31/71/95/645317195.db2.gz KAQILPMHSAPONG-TUAOUCFPSA-N 0 0 377.450 1.852 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCSC(C)(C)CC1 ZINC000329878743 645334709 /nfs/dbraw/zinc/33/47/09/645334709.db2.gz LFSZSEMFLPOWKK-NSHDSACASA-N 0 0 375.516 1.702 10 0 GDAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000367574028 645604357 /nfs/dbraw/zinc/60/43/57/645604357.db2.gz VDMKOVWUYBASKI-JLSDUUJJSA-N 0 0 393.281 1.492 10 0 GDAERN Cc1csc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000515337024 648490672 /nfs/dbraw/zinc/49/06/72/648490672.db2.gz RDRSABDMVQLYEJ-MLGOLLRUSA-N 0 0 380.495 1.573 10 0 GDAERN CC(C)(C)n1ncc(C(=O)N[C@@H]2CCOC[C@@H]2O)c1I ZINC000899145782 658987779 /nfs/dbraw/zinc/98/77/79/658987779.db2.gz PPIAVKVLWRPNEU-ZJUUUORDSA-N 0 0 393.225 1.122 10 0 GDAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1cc2c(c(Br)c1)OCO2 ZINC000909166108 659941324 /nfs/dbraw/zinc/94/13/24/659941324.db2.gz OILZSCIMHJFBTJ-NTZNESFSSA-N 0 0 380.198 1.479 10 0 GDAERN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000716177834 955128063 /nfs/dbraw/zinc/12/80/63/955128063.db2.gz NTNVBMCRPWRFSL-YJBOKZPZSA-N 0 0 395.525 1.528 10 0 GDAERN CN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693015863 976566788 /nfs/dbraw/zinc/56/67/88/976566788.db2.gz SIJRSNCCGNBWCY-KSZLIROESA-N 0 0 375.469 1.782 10 0 GDAERN COc1cc2ncn(CC(=O)N[C@@H](CO)c3ccccc3)c(=O)c2cc1OC ZINC000504224435 231300696 /nfs/dbraw/zinc/30/06/96/231300696.db2.gz FWZXRVUTBBJLHT-INIZCTEOSA-N 0 0 383.404 1.264 10 0 GDAERN O=C1NCCCC[C@H]1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010986434 530553658 /nfs/dbraw/zinc/55/36/58/530553658.db2.gz MQSFOZLPYQBLFE-LLVKDONJSA-N 0 0 377.919 1.377 10 0 GDAERN COc1nc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)ncc1Br ZINC000162067084 530565862 /nfs/dbraw/zinc/56/58/62/530565862.db2.gz BNDPRAJMUATNIY-GFCCVEGCSA-N 0 0 387.278 1.303 10 0 GDAERN Cc1c(Cl)cc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1Cl ZINC000162363505 530568166 /nfs/dbraw/zinc/56/81/66/530568166.db2.gz AKGWIHWRQYTDCU-UHFFFAOYSA-N 0 0 387.310 1.616 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Br)nc1)CC2 ZINC000163480968 530576149 /nfs/dbraw/zinc/57/61/49/530576149.db2.gz SJANTXBCSOXRRQ-JTQLQIEISA-N 0 0 393.245 1.068 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000170775773 530589030 /nfs/dbraw/zinc/58/90/30/530589030.db2.gz BLVMXHZVZVGWGJ-ZIAGYGMSSA-N 0 0 395.253 1.543 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000170887664 530590704 /nfs/dbraw/zinc/59/07/04/530590704.db2.gz NLAITUMZJFJVDQ-CYBMUJFWSA-N 0 0 383.499 1.436 10 0 GDAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172005289 530606853 /nfs/dbraw/zinc/60/68/53/530606853.db2.gz YDVYPZMNMKVNSY-OLZOCXBDSA-N 0 0 386.539 1.880 10 0 GDAERN NS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000172224808 530610363 /nfs/dbraw/zinc/61/03/63/530610363.db2.gz UNZFANFDERFTHR-ZDUSSCGKSA-N 0 0 380.495 1.880 10 0 GDAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1cc2c(c(Br)c1)OCO2 ZINC000172359251 530612177 /nfs/dbraw/zinc/61/21/77/530612177.db2.gz WCJBEJWTJFYIEO-LBPRGKRZSA-N 0 0 383.242 1.771 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(I)c3)CCO2)[nH]1 ZINC000173090019 530623008 /nfs/dbraw/zinc/62/30/08/530623008.db2.gz CAVROJQKXXJCJH-LBPRGKRZSA-N 0 0 398.204 1.931 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000174040024 530642238 /nfs/dbraw/zinc/64/22/38/530642238.db2.gz XRHKJFAXQAMQNS-HNNXBMFYSA-N 0 0 396.285 1.112 10 0 GDAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172746871 530617791 /nfs/dbraw/zinc/61/77/91/530617791.db2.gz XWAPNOPRRKFVLK-GFCCVEGCSA-N 0 0 383.242 1.725 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000176282153 530680734 /nfs/dbraw/zinc/68/07/34/530680734.db2.gz CAAVNHCVMAJGNJ-VIFPVBQESA-N 0 0 398.286 1.792 10 0 GDAERN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1csc(-c2ccsc2)n1 ZINC000174463774 530648361 /nfs/dbraw/zinc/64/83/61/530648361.db2.gz HBXQAPDLDWUBON-QLJPJBMISA-N 0 0 376.463 1.980 10 0 GDAERN CC[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCN1C[C@@H](C)O ZINC000174620457 530651598 /nfs/dbraw/zinc/65/15/98/530651598.db2.gz GBYWKAVHKKYLKW-CHWSQXEVSA-N 0 0 388.917 1.661 10 0 GDAERN CCn1ccnc1CSCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000175292933 530662513 /nfs/dbraw/zinc/66/25/13/530662513.db2.gz HBDXHGBVPCUGRM-UHFFFAOYSA-N 0 0 378.483 1.716 10 0 GDAERN O=C(NCc1ccsc1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000175308292 530663240 /nfs/dbraw/zinc/66/32/40/530663240.db2.gz VGKQPQQPBHUIRB-CQSZACIVSA-N 0 0 375.475 1.978 10 0 GDAERN O=C(NCc1cscn1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000175333660 530664085 /nfs/dbraw/zinc/66/40/85/530664085.db2.gz YFFQLWVGNCUWDF-CYBMUJFWSA-N 0 0 376.463 1.373 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)NCCSC(F)(F)F)C2=O)n(C)n1 ZINC000175580583 530667605 /nfs/dbraw/zinc/66/76/05/530667605.db2.gz ZFBZVAOMNQGLSQ-JTQLQIEISA-N 0 0 379.408 1.776 10 0 GDAERN CCn1c(C)nnc1CN1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000175867721 530671851 /nfs/dbraw/zinc/67/18/51/530671851.db2.gz DXPXJYQXQBZHLX-UHFFFAOYSA-N 0 0 396.293 1.490 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)C1 ZINC000176214774 530678624 /nfs/dbraw/zinc/67/86/24/530678624.db2.gz FGTCSYGZKOWRJS-ZIAGYGMSSA-N 0 0 384.523 1.984 10 0 GDAERN Cc1ccc([C@@H](CNC(=O)CS(=O)(=O)CC(C)C)N2CCOCC2)s1 ZINC000176570480 530686468 /nfs/dbraw/zinc/68/64/68/530686468.db2.gz LTEFOQYATLDMNK-OAHLLOKOSA-N 0 0 388.555 1.617 10 0 GDAERN COC(=O)C[C@H](NC(=O)CN1CCCC1=O)c1cccc(Br)c1 ZINC000053412890 530692720 /nfs/dbraw/zinc/69/27/20/530692720.db2.gz DVSCEYFZDNWNFT-ZDUSSCGKSA-N 0 0 383.242 1.792 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000176993909 530695387 /nfs/dbraw/zinc/69/53/87/530695387.db2.gz GJMLUNMZSNOGCS-JSGCOSHPSA-N 0 0 389.315 1.790 10 0 GDAERN O=C(Nc1ccccc1I)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177190049 530698871 /nfs/dbraw/zinc/69/88/71/530698871.db2.gz NBGJPYOSXZTPKU-NEPJUHHUSA-N 0 0 388.205 1.649 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccccc1Br)CC2 ZINC000177643484 530707680 /nfs/dbraw/zinc/70/76/80/530707680.db2.gz VIAIISJIYRYBSE-JTQLQIEISA-N 0 0 392.257 1.673 10 0 GDAERN O=S(=O)(Cc1coc(-c2ccc(Br)cc2)n1)C[C@@H](O)CO ZINC000177670955 530708412 /nfs/dbraw/zinc/70/84/12/530708412.db2.gz FWHVETYKZNSNIS-LBPRGKRZSA-N 0 0 376.228 1.372 10 0 GDAERN O=C(N[C@@H]1CCCC[C@@H]1O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177743789 530709921 /nfs/dbraw/zinc/70/99/21/530709921.db2.gz KYUFJOFBXZCDDF-OLZOCXBDSA-N 0 0 385.233 1.897 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(F)cc1I)C(C)C ZINC000178706837 530726079 /nfs/dbraw/zinc/72/60/79/530726079.db2.gz ZMQVGTXMJOLMAR-LLVKDONJSA-N 0 0 378.185 1.931 10 0 GDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178697288 530726152 /nfs/dbraw/zinc/72/61/52/530726152.db2.gz FGOVIWIXGBIMCQ-MRXNPFEDSA-N 0 0 381.885 1.775 10 0 GDAERN C[C@H](Cc1cccc(Br)c1)NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000178949256 530732053 /nfs/dbraw/zinc/73/20/53/530732053.db2.gz WKPVLBYOCMTIBN-GRBIUAATSA-N 0 0 380.242 1.485 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c(Br)n1 ZINC000179846160 530751850 /nfs/dbraw/zinc/75/18/50/530751850.db2.gz PLCDVHYSGFUPJF-UONOGXRCSA-N 0 0 390.237 1.866 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(Br)n1 ZINC000179719848 530748349 /nfs/dbraw/zinc/74/83/49/530748349.db2.gz QGHWRTZMQCFLAI-LLVKDONJSA-N 0 0 392.257 1.841 10 0 GDAERN CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000078551311 530806298 /nfs/dbraw/zinc/80/62/98/530806298.db2.gz MVFUUDUVNNCSQR-UHFFFAOYSA-N 0 0 376.544 1.870 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)c1Br ZINC000181694642 530789417 /nfs/dbraw/zinc/78/94/17/530789417.db2.gz BQSULWLKXOREFT-ZDUSSCGKSA-N 0 0 399.314 1.826 10 0 GDAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccc(Cl)nc2Cl)cn1 ZINC000181695733 530789678 /nfs/dbraw/zinc/78/96/78/530789678.db2.gz GOTYMKNOWHJRGX-JTQLQIEISA-N 0 0 376.269 1.457 10 0 GDAERN Cc1noc(CCNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)n1 ZINC000102033292 530827108 /nfs/dbraw/zinc/82/71/08/530827108.db2.gz UQSWAKRULCSKBI-JTQLQIEISA-N 0 0 389.239 1.966 10 0 GDAERN CN(CCS(=O)(=O)N1CCCC1(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000102934943 530831610 /nfs/dbraw/zinc/83/16/10/530831610.db2.gz ZXMBKBQORRLLHR-UHFFFAOYSA-N 0 0 378.491 1.650 10 0 GDAERN COC[C@@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000103522414 530835620 /nfs/dbraw/zinc/83/56/20/530835620.db2.gz DPXMGWDLVKSASB-PWSUYJOCSA-N 0 0 393.221 1.430 10 0 GDAERN O=C(NCCNc1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000183022956 530808575 /nfs/dbraw/zinc/80/85/75/530808575.db2.gz BTSNQRMNZHOKDW-CYBMUJFWSA-N 0 0 379.262 1.767 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(OC)c(Br)n1)CC2 ZINC000183142371 530810098 /nfs/dbraw/zinc/81/00/98/530810098.db2.gz DNTQPTIDJFQENP-VIFPVBQESA-N 0 0 380.246 1.751 10 0 GDAERN CNc1nnc(CC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000183849496 530820852 /nfs/dbraw/zinc/82/08/52/530820852.db2.gz AHYFPIIFNKTSEO-GFCCVEGCSA-N 0 0 381.527 1.716 10 0 GDAERN CS(=O)(=O)c1cccc(OCCN2CCN(c3cccs3)C(=O)C2)c1 ZINC000186105690 530851456 /nfs/dbraw/zinc/85/14/56/530851456.db2.gz NMCDMDNORJVJJG-UHFFFAOYSA-N 0 0 380.491 1.879 10 0 GDAERN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H](C)NC(N)=O ZINC000186296999 530854808 /nfs/dbraw/zinc/85/48/08/530854808.db2.gz FAMLPQONWBAHBI-BXUZGUMPSA-N 0 0 386.290 1.960 10 0 GDAERN COCC(=O)NC1CN(C(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000186311987 530855406 /nfs/dbraw/zinc/85/54/06/530855406.db2.gz ZGMCXRXGTLCGPK-UHFFFAOYSA-N 0 0 394.269 1.686 10 0 GDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)c1ccccc1Br ZINC000109929454 530865945 /nfs/dbraw/zinc/86/59/45/530865945.db2.gz SUARCXBQLWTRBE-LLVKDONJSA-N 0 0 384.274 1.659 10 0 GDAERN O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)[C@H]1CCC(=O)N1 ZINC000110751200 530869971 /nfs/dbraw/zinc/86/99/71/530869971.db2.gz FSFUWPHWIVFEQV-SNVBAGLBSA-N 0 0 396.188 1.898 10 0 GDAERN COC(=O)C[C@H](NC(=O)[C@H]1CCC(=O)N1C)c1cccc(Br)c1 ZINC000187313447 530870665 /nfs/dbraw/zinc/87/06/65/530870665.db2.gz BPRHKOLQEDZPRT-QWHCGFSZSA-N 0 0 383.242 1.790 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cccc(C)c2I)C1 ZINC000185261503 530838589 /nfs/dbraw/zinc/83/85/89/530838589.db2.gz GHAUXXZFVOCUMH-UHFFFAOYSA-N 0 0 388.205 1.187 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)cc2[nH]1 ZINC000188872690 530902865 /nfs/dbraw/zinc/90/28/65/530902865.db2.gz UJAXUWZPLPETCT-AAEUAGOBSA-N 0 0 379.463 1.314 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000188909784 530903951 /nfs/dbraw/zinc/90/39/51/530903951.db2.gz KQRWJFBHXXGXGE-LLVKDONJSA-N 0 0 379.873 1.750 10 0 GDAERN Cc1cc(N2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CC2)n[nH]1 ZINC000189171389 530908891 /nfs/dbraw/zinc/90/88/91/530908891.db2.gz QLSFWFFODMFLNA-UHFFFAOYSA-N 0 0 376.269 1.931 10 0 GDAERN NC(=O)[C@H]1CCCN(C(=O)CNc2cc(Br)c(F)cc2F)C1 ZINC000187971471 530882163 /nfs/dbraw/zinc/88/21/63/530882163.db2.gz HESKAQCFKHFEBM-QMMMGPOBSA-N 0 0 376.201 1.863 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000188176037 530888115 /nfs/dbraw/zinc/88/81/15/530888115.db2.gz YWOCHAOJLBRLCC-GHMZBOCLSA-N 0 0 386.290 1.688 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)CC2 ZINC000114890522 530897754 /nfs/dbraw/zinc/89/77/54/530897754.db2.gz XMPOKHZTDXXLPX-VIFPVBQESA-N 0 0 396.245 1.057 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCN(C3CCOCC3)CC2)c(=O)c1Br ZINC000119744234 530930645 /nfs/dbraw/zinc/93/06/45/530930645.db2.gz JWOHZMQVDSMWAV-UHFFFAOYSA-N 0 0 384.274 1.795 10 0 GDAERN CC(=O)NC1CN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000190470392 530931191 /nfs/dbraw/zinc/93/11/91/530931191.db2.gz ZCGYUEGJQIADCR-UHFFFAOYSA-N 0 0 380.132 1.530 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1C ZINC000117369820 530912286 /nfs/dbraw/zinc/91/22/86/530912286.db2.gz HCQLQKBEKJPPCS-NSHDSACASA-N 0 0 395.294 1.929 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2sccc2Br)C[C@@H]1C ZINC000117369955 530912423 /nfs/dbraw/zinc/91/24/23/530912423.db2.gz ALBMOIFGPVSAOU-JTQLQIEISA-N 0 0 383.333 1.852 10 0 GDAERN CC(=O)NC1CN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 ZINC000189723158 530919019 /nfs/dbraw/zinc/91/90/19/530919019.db2.gz ZNESFQDTLDFRNK-UHFFFAOYSA-N 0 0 383.246 1.226 10 0 GDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCc2cccc(Cl)c2)cn1 ZINC000189957470 530923072 /nfs/dbraw/zinc/92/30/72/530923072.db2.gz LQCXTPGWBNJEKI-HNNXBMFYSA-N 0 0 382.873 1.755 10 0 GDAERN Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccncc2I)C1 ZINC000119193090 530923407 /nfs/dbraw/zinc/92/34/07/530923407.db2.gz ATLUABBOUHWRDJ-SNVBAGLBSA-N 0 0 397.220 1.835 10 0 GDAERN NCC(F)(F)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000190197467 530926578 /nfs/dbraw/zinc/92/65/78/530926578.db2.gz QKJFDDKNNACLFB-NSHDSACASA-N 0 0 395.859 1.451 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCCN2CCc3c(Cl)cccc3C2)[C@H](C)CO1 ZINC000190656057 530934922 /nfs/dbraw/zinc/93/49/22/530934922.db2.gz YOFUWMPTRXRURW-ZIAGYGMSSA-N 0 0 387.933 1.642 10 0 GDAERN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1 ZINC000190711086 530935978 /nfs/dbraw/zinc/93/59/78/530935978.db2.gz WKQZPKCQJIKEMW-GXTWGEPZSA-N 0 0 388.559 1.348 10 0 GDAERN Cc1cnc([C@H](C)NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000120461642 530941038 /nfs/dbraw/zinc/94/10/38/530941038.db2.gz XBYWZNXNMGVYNA-QWRGUYRKSA-N 0 0 378.479 1.756 10 0 GDAERN CS(=O)(=O)CCNC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000120671384 530944162 /nfs/dbraw/zinc/94/41/62/530944162.db2.gz XFDUNWWNHVPDRD-OLZOCXBDSA-N 0 0 380.388 1.567 10 0 GDAERN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1CNC(=O)C1 ZINC000191342914 530947527 /nfs/dbraw/zinc/94/75/27/530947527.db2.gz KESOSFAEUCPUAS-LBPRGKRZSA-N 0 0 399.285 1.693 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000191506494 530949758 /nfs/dbraw/zinc/94/97/58/530949758.db2.gz OFPGXCQIMJUSOR-OAHLLOKOSA-N 0 0 384.263 1.945 10 0 GDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cn1 ZINC000121464105 530957237 /nfs/dbraw/zinc/95/72/37/530957237.db2.gz CXYIRVVQFVMKRI-AWEZNQCLSA-N 0 0 387.458 1.489 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193031012 530978477 /nfs/dbraw/zinc/97/84/77/530978477.db2.gz MRWIAPBVDRTFPM-LLVKDONJSA-N 0 0 383.246 1.218 10 0 GDAERN C[C@@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1ccccc1Br ZINC000123493970 530984460 /nfs/dbraw/zinc/98/44/60/530984460.db2.gz CTXWRQGQNNRKQQ-SNVBAGLBSA-N 0 0 378.226 1.964 10 0 GDAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)n1 ZINC000193952818 530996264 /nfs/dbraw/zinc/99/62/64/530996264.db2.gz RACASRPDYPKOLL-ZDUSSCGKSA-N 0 0 380.451 1.383 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000193534739 530988341 /nfs/dbraw/zinc/98/83/41/530988341.db2.gz MNNACFRKQCCLFX-AXAPSJFSSA-N 0 0 387.263 1.955 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCC(c2cc[nH]n2)CC1 ZINC000125434370 531005976 /nfs/dbraw/zinc/00/59/76/531005976.db2.gz FJEDVQJSLGEGOD-UHFFFAOYSA-N 0 0 376.218 1.630 10 0 GDAERN CCn1c(SCC(=O)NC[C@H]2CN(C)CCO2)nnc1-c1cccs1 ZINC000194616744 531007817 /nfs/dbraw/zinc/00/78/17/531007817.db2.gz VPCUGXIGXBSUJE-LBPRGKRZSA-N 0 0 381.527 1.565 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000127865083 531034458 /nfs/dbraw/zinc/03/44/58/531034458.db2.gz IQXOZIPWAGDAHT-ZDUSSCGKSA-N 0 0 389.315 1.853 10 0 GDAERN C[C@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(Cl)s1 ZINC000195499687 531025691 /nfs/dbraw/zinc/02/56/91/531025691.db2.gz YXEBAVGZVJIBFL-JTQLQIEISA-N 0 0 380.923 1.078 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000124874579 531000326 /nfs/dbraw/zinc/00/03/26/531000326.db2.gz RAWKMLBCVWYVRM-AWEZNQCLSA-N 0 0 379.258 1.695 10 0 GDAERN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000246102646 531063482 /nfs/dbraw/zinc/06/34/82/531063482.db2.gz HNAIWMZDUYBGJC-GJZGRUSLSA-N 0 0 386.539 1.646 10 0 GDAERN C[C@@H]1COC[C@@H](C)N1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000130869416 531064764 /nfs/dbraw/zinc/06/47/64/531064764.db2.gz XPLIZVQIRGTHAN-GHMZBOCLSA-N 0 0 380.242 1.795 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1N1CCOCC1 ZINC000246592998 531068109 /nfs/dbraw/zinc/06/81/09/531068109.db2.gz VGJCGMJFIYYRHK-QWHCGFSZSA-N 0 0 384.889 1.329 10 0 GDAERN CN(CC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000245526200 531057490 /nfs/dbraw/zinc/05/74/90/531057490.db2.gz FJTIDFLCZMOZHL-OLZOCXBDSA-N 0 0 380.388 1.231 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000245607431 531059117 /nfs/dbraw/zinc/05/91/17/531059117.db2.gz ISGPAKNPSHPGPU-HIFRSBDPSA-N 0 0 385.917 1.707 10 0 GDAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000247251561 531073950 /nfs/dbraw/zinc/07/39/50/531073950.db2.gz UOXFFFVDVWXQMP-ZFWWWQNUSA-N 0 0 388.942 1.955 10 0 GDAERN CNC(=O)[C@H]1CN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCO1 ZINC000248435232 531078051 /nfs/dbraw/zinc/07/80/51/531078051.db2.gz FLUHYMLIMCKDLE-SMDDNHRTSA-N 0 0 384.274 1.073 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)cc1Br ZINC000132777072 531084485 /nfs/dbraw/zinc/08/44/85/531084485.db2.gz RJHYLIJFIWOAPR-LLVKDONJSA-N 0 0 377.666 1.525 10 0 GDAERN CCc1csc([C@@H]2CCCN([C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000249869408 531089600 /nfs/dbraw/zinc/08/96/00/531089600.db2.gz JELLBPKEDLVYJX-NFAWXSAZSA-N 0 0 385.555 1.577 10 0 GDAERN Cn1ncc(N2CCN(C[C@@H](O)c3ccccc3)CC2)c(Br)c1=O ZINC000261428253 531092451 /nfs/dbraw/zinc/09/24/51/531092451.db2.gz CDEVWABWBKIVKE-OAHLLOKOSA-N 0 0 393.285 1.398 10 0 GDAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000134702744 531102520 /nfs/dbraw/zinc/10/25/20/531102520.db2.gz QOIFQNQFJWQKBR-LBPRGKRZSA-N 0 0 377.304 1.757 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(F)cc1F ZINC000134702714 531102799 /nfs/dbraw/zinc/10/27/99/531102799.db2.gz PYUIUVYQIVYWNI-GFCCVEGCSA-N 0 0 394.465 1.462 10 0 GDAERN Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134704136 531103159 /nfs/dbraw/zinc/10/31/59/531103159.db2.gz LBUUVWYAZJVHIM-AWEZNQCLSA-N 0 0 376.475 1.323 10 0 GDAERN O=S(=O)(c1ccc2c(c1)CCC2)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134705185 531103283 /nfs/dbraw/zinc/10/32/83/531103283.db2.gz HIKWDVPXISNRTG-QGZVFWFLSA-N 0 0 384.523 1.364 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CCN1C[C@H](C)O ZINC000247094308 531072029 /nfs/dbraw/zinc/07/20/29/531072029.db2.gz PYBFIEAEKNDHKH-SWLSCSKDSA-N 0 0 398.301 1.691 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3cccnc3Br)CC2)n1 ZINC000135389637 531108732 /nfs/dbraw/zinc/10/87/32/531108732.db2.gz DRBJTPAWTWPEJR-UHFFFAOYSA-N 0 0 392.257 1.995 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000151013882 531132001 /nfs/dbraw/zinc/13/20/01/531132001.db2.gz MVVWDQVXGDKXMK-ZDUSSCGKSA-N 0 0 383.499 1.686 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cc(Br)ccc1=O ZINC000151293814 531135488 /nfs/dbraw/zinc/13/54/88/531135488.db2.gz NHORWFLCNXNIMS-NSHDSACASA-N 0 0 380.246 1.416 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)C1 ZINC000151904083 531144219 /nfs/dbraw/zinc/14/42/19/531144219.db2.gz YSBBRAVXQBNHII-GFCCVEGCSA-N 0 0 383.242 1.591 10 0 GDAERN Cc1ccc(C(=O)N2CCS[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000264216943 531174084 /nfs/dbraw/zinc/17/40/84/531174084.db2.gz NYPPAPKQNWRFJE-AWEZNQCLSA-N 0 0 384.523 1.593 10 0 GDAERN Cn1cc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cc(Br)c1=O ZINC000156142422 531204111 /nfs/dbraw/zinc/20/41/11/531204111.db2.gz IENSNGSGVJHCBA-LBPRGKRZSA-N 0 0 396.245 1.277 10 0 GDAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Br)c(C)[nH]c3=O)CCO2)[nH]1 ZINC000156454103 531205027 /nfs/dbraw/zinc/20/50/27/531205027.db2.gz QZRLQSXJGUZYDE-LLVKDONJSA-N 0 0 396.245 1.752 10 0 GDAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000407956481 531208759 /nfs/dbraw/zinc/20/87/59/531208759.db2.gz MBDVNYGDNOZXNK-UHFFFAOYSA-N 0 0 389.271 1.283 10 0 GDAERN O=C([C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cc(F)cc(Cl)c1)N1CCOCC1 ZINC000408028354 531212080 /nfs/dbraw/zinc/21/20/80/531212080.db2.gz RMADPMMMFMNACT-OCCSQVGLSA-N 0 0 394.827 1.439 10 0 GDAERN Cc1nn(C)c(CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)c1Br ZINC000408039198 531212882 /nfs/dbraw/zinc/21/28/82/531212882.db2.gz SWHTYRRCBIGRHY-INIZCTEOSA-N 0 0 385.306 1.440 10 0 GDAERN Cc1ccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c(Cl)c1 ZINC000408028662 531211787 /nfs/dbraw/zinc/21/17/87/531211787.db2.gz TXIZUYQHVLAWGO-OCCSQVGLSA-N 0 0 390.864 1.608 10 0 GDAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408065272 531215238 /nfs/dbraw/zinc/21/52/38/531215238.db2.gz NKFBAHLRZCVUQY-JHJVBQTASA-N 0 0 388.511 1.096 10 0 GDAERN Cc1cc(F)c(NC(=O)N2CCO[C@@H](CO)C2)c(I)c1 ZINC000408086364 531216606 /nfs/dbraw/zinc/21/66/06/531216606.db2.gz ILYSGIYLEGZYAL-SECBINFHSA-N 0 0 394.184 1.964 10 0 GDAERN O=C(NC1CCS(=O)CC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000408202296 531225573 /nfs/dbraw/zinc/22/55/73/531225573.db2.gz LXNHYEVVXPIQLI-YQULHVHNSA-N 0 0 390.552 1.319 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@H]2C)cc1 ZINC000408181404 531224013 /nfs/dbraw/zinc/22/40/13/531224013.db2.gz CGOBJTSWAOCPRQ-CABCVRRESA-N 0 0 386.539 1.728 10 0 GDAERN Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)OC[C@@H]3C)CC2)s1 ZINC000408238580 531227998 /nfs/dbraw/zinc/22/79/98/531227998.db2.gz XNWBPPAWPCVRFJ-STQMWFEESA-N 0 0 387.527 1.168 10 0 GDAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408247004 531229934 /nfs/dbraw/zinc/22/99/34/531229934.db2.gz MCIOTQVMPWMDKS-KRWDZBQOSA-N 0 0 395.253 1.963 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C[C@H](C)O1 ZINC000266801528 531370504 /nfs/dbraw/zinc/37/05/04/531370504.db2.gz CAUWXIXFCBGUQH-YUMQZZPRSA-N 0 0 390.259 1.417 10 0 GDAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCO[C@H](CO)C3)s2)CC1 ZINC000269078720 531606331 /nfs/dbraw/zinc/60/63/31/531606331.db2.gz CFRKJZMZIZPYPB-ZDUSSCGKSA-N 0 0 388.511 1.002 10 0 GDAERN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000269709124 531720993 /nfs/dbraw/zinc/72/09/93/531720993.db2.gz BFRSFFVQVVWODX-RYUDHWBXSA-N 0 0 394.490 1.774 10 0 GDAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000282552531 531770658 /nfs/dbraw/zinc/77/06/58/531770658.db2.gz NVECZPNZUVQVDK-XPUUQOCRSA-N 0 0 382.667 1.443 10 0 GDAERN COc1nc(N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)ncc1Br ZINC000366858154 531786721 /nfs/dbraw/zinc/78/67/21/531786721.db2.gz NJNOEVJSESNRJQ-GFCCVEGCSA-N 0 0 395.261 1.682 10 0 GDAERN NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CCO1 ZINC000369203436 531950029 /nfs/dbraw/zinc/95/00/29/531950029.db2.gz LDYQULYIWCEMJM-JKIFEVAISA-N 0 0 379.254 1.366 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cc(Cl)c2O1 ZINC000284780830 531992075 /nfs/dbraw/zinc/99/20/75/531992075.db2.gz WTZUDLUHGDBLGC-HFBAOOFYSA-N 0 0 386.901 1.757 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc1Cl ZINC000284894547 532003684 /nfs/dbraw/zinc/00/36/84/532003684.db2.gz FWDKHUHQIZOPBE-CVEARBPZSA-N 0 0 387.889 1.392 10 0 GDAERN Cc1noc([C@H]2CN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CCN2C)n1 ZINC000285009343 532017800 /nfs/dbraw/zinc/01/78/00/532017800.db2.gz MHIIBRUPOIYXCG-GFCCVEGCSA-N 0 0 376.360 1.473 10 0 GDAERN O=C1CCCN1C[C@@H](O)CN1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000329011939 532094817 /nfs/dbraw/zinc/09/48/17/532094817.db2.gz DVPGAXWRWSWXSK-ZBFHGGJFSA-N 0 0 396.285 1.746 10 0 GDAERN C[C@H]1CC(=O)CC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000329179172 532098125 /nfs/dbraw/zinc/09/81/25/532098125.db2.gz CYBKBCJRQRDJIT-FTYKPCCVSA-N 0 0 384.420 1.272 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000286272218 532140022 /nfs/dbraw/zinc/14/00/22/532140022.db2.gz RXJTVXQQTGZZKP-WBVHZDCISA-N 0 0 381.270 1.926 10 0 GDAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000332794855 532210247 /nfs/dbraw/zinc/21/02/47/532210247.db2.gz FRVUTNRLBJLDLV-AAEUAGOBSA-N 0 0 379.448 1.688 10 0 GDAERN C[C@@H]1CN(C(=O)Nc2nnc3ccc(Br)cn32)C[C@@H](C2CC2)O1 ZINC000333047124 532216910 /nfs/dbraw/zinc/21/69/10/532216910.db2.gz BBJZCGDGGUDXRY-SKDRFNHKSA-N 0 0 380.246 2.523 10 0 GDAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)C[C@@H]21 ZINC000333095342 532219168 /nfs/dbraw/zinc/21/91/68/532219168.db2.gz BPJVPBLDTPFDKG-WDEREUQCSA-N 0 0 376.381 1.102 10 0 GDAERN CO[C@H]1C[C@H](C(=O)Nc2csc(-c3ccccn3)n2)N(S(C)(=O)=O)C1 ZINC000333293551 532229021 /nfs/dbraw/zinc/22/90/21/532229021.db2.gz KXJOKPISUBOFFC-CMPLNLGQSA-N 0 0 382.467 1.193 10 0 GDAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)C[C@H]21 ZINC000333095318 532219291 /nfs/dbraw/zinc/21/92/91/532219291.db2.gz BPJVPBLDTPFDKG-GHMZBOCLSA-N 0 0 376.381 1.102 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000333187761 532224429 /nfs/dbraw/zinc/22/44/29/532224429.db2.gz NHQFDNZUFACBNM-MJBXVCDLSA-N 0 0 387.527 1.691 10 0 GDAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)C2)n1 ZINC000275318887 532286226 /nfs/dbraw/zinc/28/62/26/532286226.db2.gz OUSAKBJZVXPKSP-LBPRGKRZSA-N 0 0 378.332 1.074 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@H]3OCCN[C@H]3C2)sc1Br ZINC000404110841 532306222 /nfs/dbraw/zinc/30/62/22/532306222.db2.gz JPRSWWOZBYXPOV-VHSXEESVSA-N 0 0 381.317 1.570 10 0 GDAERN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O ZINC000001576663 203822676 /nfs/dbraw/zinc/82/26/76/203822676.db2.gz SZTWVDLUDLZHBU-RBUKOAKNSA-N 0 0 384.432 1.340 10 0 GDAERN O=C(N[C@@H](NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl)c1ccco1 ZINC000001094127 203883081 /nfs/dbraw/zinc/88/30/81/203883081.db2.gz OFUKUZSODVCAND-QMMMGPOBSA-N 0 0 383.648 1.415 10 0 GDAERN c1ccc2sc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)nc2c1 ZINC000006252925 204172250 /nfs/dbraw/zinc/17/22/50/204172250.db2.gz ZPILFHIXLQGDMW-UHFFFAOYSA-N 0 0 384.465 1.822 10 0 GDAERN COCCN1C(=O)C[C@@](CC(=O)N(C)CC(C)C)(c2ccccc2F)C1=O ZINC000011970601 204365478 /nfs/dbraw/zinc/36/54/78/204365478.db2.gz UJIVWHLXGAGVNY-FQEVSTJZSA-N 0 0 378.444 1.973 10 0 GDAERN COc1cccc(CC(=O)NCCn2cc(C(=O)NCc3cccs3)nn2)c1 ZINC000012218084 204383917 /nfs/dbraw/zinc/38/39/17/204383917.db2.gz ZXGGKKKWBBNRLP-UHFFFAOYSA-N 0 0 399.476 1.637 10 0 GDAERN CCOC(=O)N1CCN(C(=O)c2sc3ncn(CC)c(=O)c3c2C)CC1 ZINC000020806736 204740703 /nfs/dbraw/zinc/74/07/03/204740703.db2.gz SXQLFOCTJDNOIB-UHFFFAOYSA-N 0 0 378.454 1.701 10 0 GDAERN COc1ccccc1-c1nc(Cc2ccc3c(c2)OCO3)c(=O)n(CCO)n1 ZINC000021114538 204753893 /nfs/dbraw/zinc/75/38/93/204753893.db2.gz HIYKAIVZTIKSOK-UHFFFAOYSA-N 0 0 381.388 1.626 10 0 GDAERN CC(C)CCNC(=O)c1coc(CN2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000034677434 204970832 /nfs/dbraw/zinc/97/08/32/204970832.db2.gz QUBKOPRLYPVQNE-KRWDZBQOSA-N 0 0 396.532 1.354 10 0 GDAERN CCCNC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C(=O)C2=O)CC1 ZINC000035451685 204990793 /nfs/dbraw/zinc/99/07/93/204990793.db2.gz JLJMUIRQSAEQJZ-UHFFFAOYSA-N 0 0 386.496 1.750 10 0 GDAERN Cc1cccnc1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F ZINC000055091010 205140690 /nfs/dbraw/zinc/14/06/90/205140690.db2.gz VWVDZKMKWILMKD-LJQANCHMSA-N 0 0 384.455 1.579 10 0 GDAERN CCc1noc(-c2ccc(-n3ncc(C(=O)N4CCN(CC)CC4)c3C)nc2)n1 ZINC000065251455 205223637 /nfs/dbraw/zinc/22/36/37/205223637.db2.gz IBFOCBPREVVZEX-UHFFFAOYSA-N 0 0 395.467 1.966 10 0 GDAERN CCc1n[nH]c2c1CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1)CC2 ZINC000067714534 205256421 /nfs/dbraw/zinc/25/64/21/205256421.db2.gz KZBUXEPMRGMFAO-IBGZPJMESA-N 0 0 381.480 1.248 10 0 GDAERN COc1cc(OC)cc(N2C(=O)[C@@H]3C[C@@H](NC(=O)NC(C)C)CCN3C2=O)c1 ZINC000003840267 205731995 /nfs/dbraw/zinc/73/19/95/205731995.db2.gz ZTVXPLGFKQFWMW-LRDDRELGSA-N 0 0 390.440 1.711 10 0 GDAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCn4nc(C)nc43)cc2C[C@H]1C ZINC000097013032 206122579 /nfs/dbraw/zinc/12/25/79/206122579.db2.gz NNMUFGWKIYHVSO-BDJLRTHQSA-N 0 0 389.481 1.697 10 0 GDAERN Cc1ccsc1CN1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O ZINC000253598396 206149353 /nfs/dbraw/zinc/14/93/53/206149353.db2.gz AOKLBALPAJNXOX-AWEZNQCLSA-N 0 0 379.507 1.915 10 0 GDAERN CC[C@H](C)NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295653 136162881 /nfs/dbraw/zinc/16/28/81/136162881.db2.gz PTLHEJJIRVYSPF-HNNXBMFYSA-N 0 0 394.483 1.463 10 0 GDAERN Cc1ccc(S(=O)(=O)N=c2ccc(Br)cn2CC(N)=O)cc1 ZINC000255995467 525561056 /nfs/dbraw/zinc/56/10/56/525561056.db2.gz PUGBSRGMLXOMEC-UHFFFAOYSA-N 0 0 384.255 1.334 10 0 GDAERN O=C(c1ccnnc1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O ZINC000020539575 570266625 /nfs/dbraw/zinc/26/66/25/570266625.db2.gz LWYXWNANMAZHDR-MOPGFXCFSA-N 0 0 375.432 1.811 10 0 GDAERN CO[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]2OC(c3ccccc3)=N[C@H]21 ZINC000032106943 570508855 /nfs/dbraw/zinc/50/88/55/570508855.db2.gz YJRZBQPPXYMUKS-DKLJTFSYSA-N 0 0 382.416 1.363 10 0 GDAERN CCOC(=O)CN1C(=O)[C@H](NC(=O)c2ccccc2)CC[C@]1(O)C(F)(F)F ZINC000032628981 570512561 /nfs/dbraw/zinc/51/25/61/570512561.db2.gz NAWDCYIJQJNDJS-WBMJQRKESA-N 0 0 388.342 1.221 10 0 GDAERN Cn1ccnc(N2CCC[C@@H](N[C@@H](C(=O)NC3CC3)c3ccccc3)C2)c1=O ZINC000275359203 570691008 /nfs/dbraw/zinc/69/10/08/570691008.db2.gz ATZHSORTTKLGPI-QZTJIDSGSA-N 0 0 381.480 1.359 10 0 GDAERN Cn1c2ccc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)cc2n(C)c1=O ZINC000097015685 570886672 /nfs/dbraw/zinc/88/66/72/570886672.db2.gz LMSCSTIJTAFTMK-CQSZACIVSA-N 0 0 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/nfs/dbraw/zinc/88/43/92/530884392.db2.gz NENCMQGEVCQIJB-LLVKDONJSA-N 0 0 392.257 1.689 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000188178513 530888138 /nfs/dbraw/zinc/88/81/38/530888138.db2.gz FMOAVWQHOHZRJE-IAQYHMDHSA-N 0 0 398.301 1.954 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)cnc1N(C)C)CC2 ZINC000114867775 530896682 /nfs/dbraw/zinc/89/66/82/530896682.db2.gz JBEMBFQTPZXKND-NSHDSACASA-N 0 0 393.289 1.809 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000117369676 530912589 /nfs/dbraw/zinc/91/25/89/530912589.db2.gz YQIYMPQTVNVEPN-GFCCVEGCSA-N 0 0 382.404 1.926 10 0 GDAERN Cc1cnn(CCNC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)c1 ZINC000117817358 530914707 /nfs/dbraw/zinc/91/47/07/530914707.db2.gz BQMHKGNWUISYPK-UHFFFAOYSA-N 0 0 386.271 1.788 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(I)cc2)c1 ZINC000118134209 530916916 /nfs/dbraw/zinc/91/69/16/530916916.db2.gz LZGLGTKFDOLUAT-UHFFFAOYSA-N 0 0 398.204 1.551 10 0 GDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000190629324 530934409 /nfs/dbraw/zinc/93/44/09/530934409.db2.gz YMVWRYFFXBENPQ-KBPBESRZSA-N 0 0 386.901 1.988 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000119118485 530922304 /nfs/dbraw/zinc/92/23/04/530922304.db2.gz QXJURDJOANTMAX-ZDUSSCGKSA-N 0 0 389.237 1.215 10 0 GDAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000119259492 530923993 /nfs/dbraw/zinc/92/39/93/530923993.db2.gz QOYRUJCOFDFSQL-WFASDCNBSA-N 0 0 397.248 1.712 10 0 GDAERN Cn1nc(Br)cc1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000192170904 530964163 /nfs/dbraw/zinc/96/41/63/530964163.db2.gz FOTAFMFLRZSUKY-JTQLQIEISA-N 0 0 378.230 1.222 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000191339382 530947469 /nfs/dbraw/zinc/94/74/69/530947469.db2.gz PSPVBGMQVFBMAM-UHFFFAOYSA-N 0 0 376.157 1.013 10 0 GDAERN Cc1noc([C@H]2COCCN2C(=O)c2cnn3cc(Br)cnc23)n1 ZINC000120978683 530948355 /nfs/dbraw/zinc/94/83/55/530948355.db2.gz 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ZINC000193357042 530985079 /nfs/dbraw/zinc/98/50/79/530985079.db2.gz ARJSCSUDBAVLSE-MRXNPFEDSA-N 0 0 390.933 1.824 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000193953890 530996973 /nfs/dbraw/zinc/99/69/73/530996973.db2.gz DUHIZPHVKLXQMO-HMTTWLPMSA-N 0 0 387.263 1.392 10 0 GDAERN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)CCCS(=O)(=O)N(C)C)o1 ZINC000193955229 530997086 /nfs/dbraw/zinc/99/70/86/530997086.db2.gz PNGCQSYUZCPWKS-HNNXBMFYSA-N 0 0 392.543 1.980 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(OC(F)(F)F)cc1 ZINC000123659798 530986558 /nfs/dbraw/zinc/98/65/58/530986558.db2.gz PVJUSROICCDLPG-ZDUSSCGKSA-N 0 0 380.388 1.727 10 0 GDAERN Cc1nc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@H]2O)ccc1Br ZINC000193478917 530988014 /nfs/dbraw/zinc/98/80/14/530988014.db2.gz FOQABQGFFWHZAF-DZGCQCFKSA-N 0 0 390.237 1.866 10 0 GDAERN CC(C)(CNC(=O)C1CC2(C1)NC(=O)NC2=O)c1ccccc1Br ZINC000125696325 531009263 /nfs/dbraw/zinc/00/92/63/531009263.db2.gz NBAVYWUPMSLVOJ-UHFFFAOYSA-N 0 0 394.269 1.831 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCC(Cn2cccn2)CC1 ZINC000126250390 531016163 /nfs/dbraw/zinc/01/61/63/531016163.db2.gz LFYWETAPLYUXCB-UHFFFAOYSA-N 0 0 390.245 1.636 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000194378997 531004296 /nfs/dbraw/zinc/00/42/96/531004296.db2.gz TVGOYVPQNQHLOV-UHFFFAOYSA-N 0 0 380.242 1.223 10 0 GDAERN O=S(=O)(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)nc1 ZINC000245620496 531059297 /nfs/dbraw/zinc/05/92/97/531059297.db2.gz NZVJRSOFYDIIHP-GJZGRUSLSA-N 0 0 381.885 1.649 10 0 GDAERN CCNS(=O)(=O)[C@H]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248571487 531079471 /nfs/dbraw/zinc/07/94/71/531079471.db2.gz RDHMMHBFNIZTRS-SMDDNHRTSA-N 0 0 395.294 1.635 10 0 GDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)C[C@H]3C(F)(F)F)ccc2O1 ZINC000248646357 531080488 /nfs/dbraw/zinc/08/04/88/531080488.db2.gz PFSZZGJVQWTYNT-ZANVPECISA-N 0 0 378.372 1.452 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCCN2CCc3c(Cl)cccc3C2)[C@@H](C)CO1 ZINC000248999285 531083842 /nfs/dbraw/zinc/08/38/42/531083842.db2.gz YOFUWMPTRXRURW-UONOGXRCSA-N 0 0 387.933 1.642 10 0 GDAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3Br)C2)O1 ZINC000249113255 531084946 /nfs/dbraw/zinc/08/49/46/531084946.db2.gz RKDAJPRPOXMJIA-MELADBBJSA-N 0 0 383.242 1.382 10 0 GDAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000249438795 531086900 /nfs/dbraw/zinc/08/69/00/531086900.db2.gz JIFVKLMLGUSOFG-UHTWSYAYSA-N 0 0 377.413 1.643 10 0 GDAERN O=S(=O)(c1c(F)cccc1Cl)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000133108355 531087676 /nfs/dbraw/zinc/08/76/76/531087676.db2.gz BMBLXULWEBUXEJ-LLVKDONJSA-N 0 0 396.893 1.668 10 0 GDAERN Cc1cc(C)n(C[C@H]2CN(c3cnn(C)c(=O)c3Br)CCO2)n1 ZINC000261484211 531093440 /nfs/dbraw/zinc/09/34/40/531093440.db2.gz ZBDQOIGUOYKJMR-GFCCVEGCSA-N 0 0 382.262 1.262 10 0 GDAERN O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134706922 531103209 /nfs/dbraw/zinc/10/32/09/531103209.db2.gz SHELNRHLDGPDMD-CYBMUJFWSA-N 0 0 380.438 1.153 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CCN1C[C@H](C)O ZINC000247094334 531072303 /nfs/dbraw/zinc/07/23/03/531072303.db2.gz PYBFIEAEKNDHKH-WFASDCNBSA-N 0 0 398.301 1.691 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3cccc(Br)n3)CC2)n1 ZINC000136955304 531116715 /nfs/dbraw/zinc/11/67/15/531116715.db2.gz JLLIIWZCYVCJGS-UHFFFAOYSA-N 0 0 392.257 1.995 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000151157253 531133922 /nfs/dbraw/zinc/13/39/22/531133922.db2.gz CDNNLGWCZSYPDY-SNVBAGLBSA-N 0 0 383.499 1.417 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000151201461 531135211 /nfs/dbraw/zinc/13/52/11/531135211.db2.gz SXSNTHOQJFDSSD-TZMCWYRMSA-N 0 0 394.273 1.838 10 0 GDAERN COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(I)c1 ZINC000151393648 531137192 /nfs/dbraw/zinc/13/71/92/531137192.db2.gz BQUGBFPEJIZEJC-NSHDSACASA-N 0 0 390.221 1.360 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3ccncc3Br)CC2)cn1 ZINC000152862575 531158216 /nfs/dbraw/zinc/15/82/16/531158216.db2.gz PJDCDBVIDNDUIW-UHFFFAOYSA-N 0 0 378.274 1.926 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1C(F)(F)F ZINC000153173642 531164094 /nfs/dbraw/zinc/16/40/94/531164094.db2.gz HLTXWQMYZBPVGU-GFCCVEGCSA-N 0 0 382.379 1.986 10 0 GDAERN NC(=O)[C@H]1CCCN(C(=O)C[S@](=O)Cc2ccc(Br)s2)C1 ZINC000155775103 531202661 /nfs/dbraw/zinc/20/26/61/531202661.db2.gz DFGHLZPOTVNFGS-FPVGNUTFSA-N 0 0 393.328 1.483 10 0 GDAERN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cccnc1Br ZINC000158232245 531207907 /nfs/dbraw/zinc/20/79/07/531207907.db2.gz XKJCKGBOZJPZFX-LLVKDONJSA-N 0 0 375.226 1.884 10 0 GDAERN CC1(C)CN(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000408026474 531211651 /nfs/dbraw/zinc/21/16/51/531211651.db2.gz FFOSLRBAROXAJO-DOMZBBRYSA-N 0 0 376.425 1.428 10 0 GDAERN Cc1cc(Br)oc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408052780 531214584 /nfs/dbraw/zinc/21/45/84/531214584.db2.gz MKYNCWXHODOVNO-MNOVXSKESA-N 0 0 389.221 1.762 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000408057852 531215679 /nfs/dbraw/zinc/21/56/79/531215679.db2.gz ARACJHYSLJXEPQ-UHFFFAOYSA-N 0 0 386.539 1.126 10 0 GDAERN O=C(NC1CCS(=O)CC1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000408201123 531224957 /nfs/dbraw/zinc/22/49/57/531224957.db2.gz GUHGCKSTMHXMEI-UHFFFAOYSA-N 0 0 390.552 1.564 10 0 GDAERN C[C@H]1N(c2ncc(Br)cc2S(N)(=O)=O)CCC12CCOCC2 ZINC000408196987 531225161 /nfs/dbraw/zinc/22/51/61/531225161.db2.gz GMZWPMXVHKTNEQ-SNVBAGLBSA-N 0 0 390.303 1.887 10 0 GDAERN CCN(C1CCN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000408254621 531229582 /nfs/dbraw/zinc/22/95/82/531229582.db2.gz FDQVQUIZWHNVAK-QDMKHBRRSA-N 0 0 375.535 1.646 10 0 GDAERN C[C@@H]1C(=O)NCCCN1c1ncnc2cccc(I)c21 ZINC000408290172 531230869 /nfs/dbraw/zinc/23/08/69/531230869.db2.gz HWWCAKJBZBSGBE-SECBINFHSA-N 0 0 382.205 1.949 10 0 GDAERN CN1CCO[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000408289476 531230896 /nfs/dbraw/zinc/23/08/96/531230896.db2.gz GFHPZUBSNQSGNH-HZPDHXFCSA-N 0 0 391.269 1.790 10 0 GDAERN Cc1ccc(I)cc1NC(=O)N1CCO[C@@H](CO)C1 ZINC000408344238 531234545 /nfs/dbraw/zinc/23/45/45/531234545.db2.gz WJRULGXRORDIAS-LLVKDONJSA-N 0 0 376.194 1.825 10 0 GDAERN CC[C@]1(CO)CCCN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1 ZINC000408447189 531242532 /nfs/dbraw/zinc/24/25/32/531242532.db2.gz VTUGFANTYLRDTK-KRWDZBQOSA-N 0 0 375.535 1.383 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)CCS1 ZINC000268900215 531584214 /nfs/dbraw/zinc/58/42/14/531584214.db2.gz WHYDICNSCITCPK-ZETCQYMHSA-N 0 0 392.300 1.745 10 0 GDAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000281670095 531646065 /nfs/dbraw/zinc/64/60/65/531646065.db2.gz TUJMDVDCIIMFBP-QMMMGPOBSA-N 0 0 379.301 1.674 10 0 GDAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000281641574 531641375 /nfs/dbraw/zinc/64/13/75/531641375.db2.gz ASYUJQPCYZRUAQ-HQJQHLMTSA-N 0 0 376.169 1.827 10 0 GDAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000269663018 531707834 /nfs/dbraw/zinc/70/78/34/531707834.db2.gz PFWDRCIGTUTVDE-IUCAKERBSA-N 0 0 377.260 1.346 10 0 GDAERN COc1cc(Br)c(F)cc1S(=O)(=O)N1CC(=O)NCC1(C)C ZINC000282130842 531709834 /nfs/dbraw/zinc/70/98/34/531709834.db2.gz VLGXCRYCKUCJGE-UHFFFAOYSA-N 0 0 395.250 1.496 10 0 GDAERN COc1nc(N2CCO[C@H](c3ccnc(N(C)C)n3)C2)ncc1Br ZINC000366858157 531787005 /nfs/dbraw/zinc/78/70/05/531787005.db2.gz NJNOEVJSESNRJQ-LBPRGKRZSA-N 0 0 395.261 1.682 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H](F)C[C@H]3CO)C2)s1 ZINC000368424256 531911037 /nfs/dbraw/zinc/91/10/37/531911037.db2.gz IFJYEVPXYZSLRC-IHRRRGAJSA-N 0 0 390.502 1.389 10 0 GDAERN CS(=O)(=O)c1ccc(N2CCC[C@H](n3cccn3)C2)c(S(C)(=O)=O)c1 ZINC000301153191 532026520 /nfs/dbraw/zinc/02/65/20/532026520.db2.gz DZFDAYUZZAQUSI-ZDUSSCGKSA-N 0 0 383.495 1.532 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H]4CCN(C)C[C@@H]43)cc(Cl)c2O1 ZINC000285249748 532055464 /nfs/dbraw/zinc/05/54/64/532055464.db2.gz YFRWUUFFSHMRRF-XFBWCDHKSA-N 0 0 386.901 1.757 10 0 GDAERN CN1C(=O)N[C@@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000285781464 532112402 /nfs/dbraw/zinc/11/24/02/532112402.db2.gz CASYNEIOVOQOHD-OLZOCXBDSA-N 0 0 382.258 1.818 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3ccc(I)cc3)CC[C@@H]21 ZINC000286242593 532138183 /nfs/dbraw/zinc/13/81/83/532138183.db2.gz KTKCSPVOQPXSKA-OLZOCXBDSA-N 0 0 399.232 1.458 10 0 GDAERN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(=O)n1C ZINC000286384433 532146119 /nfs/dbraw/zinc/14/61/19/532146119.db2.gz QJFPDOVYCWAIEO-DFBGVHRSSA-N 0 0 399.285 1.458 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)N(S(C)(=O)=O)C1 ZINC000333169881 532222911 /nfs/dbraw/zinc/22/29/11/532222911.db2.gz KAIPWFYXGYLLAG-COPLHBTASA-N 0 0 388.873 1.503 10 0 GDAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC000333928992 532258153 /nfs/dbraw/zinc/25/81/53/532258153.db2.gz XXZSOADYOMDXSX-PMPSAXMXSA-N 0 0 384.885 1.925 10 0 GDAERN COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@](O)(CO)[C@@H]2CO)ccc1O ZINC000004782907 204075382 /nfs/dbraw/zinc/07/53/82/204075382.db2.gz KCIQZCNOUZCRGH-UAOJZALGSA-N 0 0 376.405 1.135 10 0 GDAERN CCS(=O)(=O)N(c1ccccn1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000005327659 204125466 /nfs/dbraw/zinc/12/54/66/204125466.db2.gz WUNNQPSGKQPEBY-UHFFFAOYSA-N 0 0 383.451 1.585 10 0 GDAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)C1 ZINC000006942010 204226538 /nfs/dbraw/zinc/22/65/38/204226538.db2.gz CHUFNBHIFRHFSV-OAGGEKHMSA-N 0 0 383.514 1.831 10 0 GDAERN COC(=O)[C@H](CCSC)NC(=O)[C@H]1CC(Cc2cccc(OC)c2)=NO1 ZINC000011813003 204353798 /nfs/dbraw/zinc/35/37/98/204353798.db2.gz AFIOCNMBJVFFIW-JKSUJKDBSA-N 0 0 380.466 1.794 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)NC(C)C)nn2)C1 ZINC000012245982 204386742 /nfs/dbraw/zinc/38/67/42/204386742.db2.gz QJFUIKODRNADMA-CYBMUJFWSA-N 0 0 396.473 1.047 10 0 GDAERN C[C@H]1CN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)C[C@H](C)O1 ZINC000034811037 204977585 /nfs/dbraw/zinc/97/75/85/204977585.db2.gz KBAUDIDAQFNDCR-KBPBESRZSA-N 0 0 386.427 1.928 10 0 GDAERN CCCn1c2nn(CC(=O)Nc3cccc(F)c3)c(=O)n2c2ccccc2c1=O ZINC000064580673 205192199 /nfs/dbraw/zinc/19/21/99/205192199.db2.gz CWALELRYBBTXEK-UHFFFAOYSA-N 0 0 395.394 1.999 10 0 GDAERN C[C@@H]1C[C@H]2[C@@H]3CCC4=C[C@H](O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO ZINC000065742872 205240156 /nfs/dbraw/zinc/24/01/56/205240156.db2.gz AHCZVAORYHARLA-KXLUXUPESA-N 0 0 394.483 1.688 10 0 in-vitro GDAERN CS(=O)(=O)NC[C@]1(O)CCCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000072166836 205315769 /nfs/dbraw/zinc/31/57/69/205315769.db2.gz PQVNZNXGMKTHHX-SFHVURJKSA-N 0 0 378.498 1.139 10 0 GDAERN COc1ccc(-c2n[nH]c(CCNS(=O)(=O)c3c(C)noc3C)n2)cc1 ZINC000064969516 206105517 /nfs/dbraw/zinc/10/55/17/206105517.db2.gz ATZXGWNSRLWMKK-UHFFFAOYSA-N 0 0 377.426 1.606 10 0 GDAERN Cc1csc(CN2Cc3ccnn3[C@@H](COCC(=O)N3CCCC3)C2)n1 ZINC000247983334 206134786 /nfs/dbraw/zinc/13/47/86/206134786.db2.gz YBPVEGGBTGNGQM-MRXNPFEDSA-N 0 0 375.498 1.844 10 0 GDAERN COC(=O)[C@@H](CCSC)NC(=O)CSCc1nc2ccccc2c(=O)[nH]1 ZINC000098038108 206225849 /nfs/dbraw/zinc/22/58/49/206225849.db2.gz CRYSDMCDLKINGN-CYBMUJFWSA-N 0 0 395.506 1.567 10 0 GDAERN COc1cc(NC(=O)Cn2ncc3c2ncnc3N2CCOCC2)cc(OC)c1 ZINC000065295086 536838875 /nfs/dbraw/zinc/83/88/75/536838875.db2.gz UGWJPVRIRGHUHE-UHFFFAOYSA-N 0 0 398.423 1.319 10 0 GDAERN COc1cc([C@H](O)[C@H](CO)Oc2ccc(/C=C/CO)cc2OC)ccc1O ZINC000014438167 560221411 /nfs/dbraw/zinc/22/14/11/560221411.db2.gz FYEZJIXULOZDRT-LOKQZNEXSA-N 0 0 376.405 1.888 10 0 in-vitro GDAERN CCOc1ccccc1CNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(C)c1=O ZINC000015786456 570253481 /nfs/dbraw/zinc/25/34/81/570253481.db2.gz VVSYIXZRSAFATH-UHFFFAOYSA-N 0 0 394.431 1.568 10 0 GDAERN Cn1cc(CNS(=O)(=O)C[C@H]2CCCN(C(=O)c3ccccc3)C2)cn1 ZINC000521396706 570457631 /nfs/dbraw/zinc/45/76/31/570457631.db2.gz SVUWOSWNMPBHSR-HNNXBMFYSA-N 0 0 376.482 1.392 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182126209 570657498 /nfs/dbraw/zinc/65/74/98/570657498.db2.gz CLVQNJVCYRLUJW-SNVBAGLBSA-N 0 0 391.375 1.652 10 0 GDAERN COCc1nnc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)s1 ZINC000033032109 570669483 /nfs/dbraw/zinc/66/94/83/570669483.db2.gz MRILRCDWVOJEKI-CYBMUJFWSA-N 0 0 376.438 1.846 10 0 GDAERN Cn1cc([C@@H]2CN(S(=O)(=O)c3c(Cl)nc4ccccn43)C[C@H]2CO)cn1 ZINC000275325734 570690671 /nfs/dbraw/zinc/69/06/71/570690671.db2.gz PTZLEMBNMRMNSY-STQMWFEESA-N 0 0 395.872 1.118 10 0 GDAERN CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](C)O[C@@H](Sc2ccccn2)[C@H]1OC(C)=O ZINC000169683489 570784481 /nfs/dbraw/zinc/78/44/81/570784481.db2.gz XBKOQNIEZLQWIR-GKSQQYPGSA-N 0 0 383.422 1.714 10 0 GDAERN C[C@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)N1CCOCC1 ZINC000055238964 644470280 /nfs/dbraw/zinc/47/02/80/644470280.db2.gz MXBOOUHVKQYUHF-SECBINFHSA-N 0 0 398.710 1.497 10 0 GDAERN O=C(/C=C\c1ccccc1)Nc1nnc(S(=O)(=O)N2CCOCC2)s1 ZINC000096596192 644594209 /nfs/dbraw/zinc/59/42/09/644594209.db2.gz OJWSFIHGKIDKBC-SREVYHEPSA-N 0 0 380.451 1.211 10 0 GDAERN C[C@@H](NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000115816704 644643620 /nfs/dbraw/zinc/64/36/20/644643620.db2.gz NJVGIKPLYWUOKF-KCJUWKMLSA-N 0 0 377.260 1.394 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000195426844 645069969 /nfs/dbraw/zinc/06/99/69/645069969.db2.gz GPDIPJZBCZSKDS-GFCCVEGCSA-N 0 0 378.376 1.921 10 0 GDAERN NS(=O)(=O)c1ccsc1C(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000215969145 645071867 /nfs/dbraw/zinc/07/18/67/645071867.db2.gz KKEFYWMDKJUQED-CYBMUJFWSA-N 0 0 376.463 1.763 10 0 GDAERN COC(=O)[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1C ZINC000230901079 645077746 /nfs/dbraw/zinc/07/77/46/645077746.db2.gz CERHPHMQDBLPON-WCBMZHEXSA-N 0 0 389.189 1.878 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCS1 ZINC000328991791 645292715 /nfs/dbraw/zinc/29/27/15/645292715.db2.gz INXNULKZANQOKE-ZDUSSCGKSA-N 0 0 390.552 1.597 10 0 GDAERN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCn2ccnc2C1 ZINC000329340736 645307265 /nfs/dbraw/zinc/30/72/65/645307265.db2.gz OMIODGSXSLOQJU-UHFFFAOYSA-N 0 0 391.225 1.413 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000372408199 645813772 /nfs/dbraw/zinc/81/37/72/645813772.db2.gz GWCRVMKVEMKQAH-RAIGVLPGSA-N 0 0 394.225 1.951 10 0 GDAERN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCOC[C@@H]1CO ZINC000912422762 660036436 /nfs/dbraw/zinc/03/64/36/660036436.db2.gz RWGQHBGWMZMGOA-RYUDHWBXSA-N 0 0 383.242 1.022 10 0 GDAERN O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000715510151 977761357 /nfs/dbraw/zinc/76/13/57/977761357.db2.gz DNCMGOFMQFLETB-KZNAEPCWSA-N 0 0 375.469 1.830 10 0 GDAERN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000504132128 231292956 /nfs/dbraw/zinc/29/29/56/231292956.db2.gz CROKULRAQZCUKQ-RTBURBONSA-N 0 0 395.459 1.259 10 0 GDAERN O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000158517338 530533452 /nfs/dbraw/zinc/53/34/52/530533452.db2.gz XMMIPPCJUGNLKM-OLZOCXBDSA-N 0 0 380.388 1.561 10 0 GDAERN Cc1c(Cl)cc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)cc1Cl ZINC000162149541 530566642 /nfs/dbraw/zinc/56/66/42/530566642.db2.gz VYOIRRSDTOZZQI-UHFFFAOYSA-N 0 0 381.281 1.862 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000166718165 530583488 /nfs/dbraw/zinc/58/34/88/530583488.db2.gz BIODAFXCNPCLAV-LLVKDONJSA-N 0 0 388.649 1.778 10 0 GDAERN COCCN(C[C@H](O)COc1cccc(Br)c1)[C@@H](C)C(N)=O ZINC000171577929 530600620 /nfs/dbraw/zinc/60/06/20/530600620.db2.gz LVUJMRTXHWBOKN-AAEUAGOBSA-N 0 0 375.263 1.011 10 0 GDAERN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC[C@@H](c2nccs2)C1 ZINC000171644324 530601165 /nfs/dbraw/zinc/60/11/65/530601165.db2.gz CHLAZNYTCADABC-GFCCVEGCSA-N 0 0 378.479 1.347 10 0 GDAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1 ZINC000171869148 530604634 /nfs/dbraw/zinc/60/46/34/530604634.db2.gz RHEKQZMXEZKKTK-LBPRGKRZSA-N 0 0 383.861 1.019 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1[nH]nc2ccc(Br)cc21 ZINC000172358878 530612368 /nfs/dbraw/zinc/61/23/68/530612368.db2.gz SBNUWMZJUBDCCZ-GFCCVEGCSA-N 0 0 379.258 1.918 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000170702327 530587583 /nfs/dbraw/zinc/58/75/83/530587583.db2.gz DMRIODYVPXEDNP-GFCCVEGCSA-N 0 0 382.258 1.823 10 0 GDAERN CC(C)c1nc([C@H]2CCCN2C(=O)CNS(=O)(=O)c2cccs2)no1 ZINC000173078828 530622525 /nfs/dbraw/zinc/62/25/25/530622525.db2.gz LIHBRBBOWVKGFW-LLVKDONJSA-N 0 0 384.483 1.897 10 0 GDAERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)CCS(C)(=O)=O)C2)n1 ZINC000173459947 530630978 /nfs/dbraw/zinc/63/09/78/530630978.db2.gz DGTHGHZMNFUSMQ-LBPRGKRZSA-N 0 0 380.557 1.820 10 0 GDAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)no1 ZINC000173517313 530631387 /nfs/dbraw/zinc/63/13/87/530631387.db2.gz LKCXTYMFBGSBFE-JTQLQIEISA-N 0 0 381.230 1.924 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1N1CCOCC1 ZINC000173833909 530638159 /nfs/dbraw/zinc/63/81/59/530638159.db2.gz FCMQMHWPSGGALP-GXFFZTMASA-N 0 0 389.237 1.412 10 0 GDAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C2=O)n(C)n1 ZINC000174041471 530642245 /nfs/dbraw/zinc/64/22/45/530642245.db2.gz UBEJDGWGUISZEI-CQSZACIVSA-N 0 0 382.873 1.856 10 0 GDAERN CCOc1ccnc(N2CCN(c3ncc(Br)c(OC)n3)CC2)n1 ZINC000176250099 530680285 /nfs/dbraw/zinc/68/02/85/530680285.db2.gz SXIIQOULJRPELA-UHFFFAOYSA-N 0 0 395.261 1.763 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000176287847 530680978 /nfs/dbraw/zinc/68/09/78/530680978.db2.gz PMDZEWRMUXUIMY-ZDUSSCGKSA-N 0 0 383.861 1.413 10 0 GDAERN CCN1CCN(CC(=O)N[C@H](C)c2ccccc2Br)C(=O)C1=O ZINC000045765971 530645818 /nfs/dbraw/zinc/64/58/18/530645818.db2.gz JTJNNFLUBRVUPS-LLVKDONJSA-N 0 0 382.258 1.317 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)c2ccccc2I)C[C@H]1C ZINC000174322113 530646774 /nfs/dbraw/zinc/64/67/74/530646774.db2.gz KCLYYEUMOOCPKL-VXGBXAGGSA-N 0 0 388.249 1.818 10 0 GDAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000175212502 530660242 /nfs/dbraw/zinc/66/02/42/530660242.db2.gz MMJZTNTYEMGZRF-JKSUJKDBSA-N 0 0 388.555 1.952 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)C[C@H](C)O1 ZINC000048722299 530670441 /nfs/dbraw/zinc/67/04/41/530670441.db2.gz ZLNQPVJOIDDWGB-UWVGGRQHSA-N 0 0 388.205 1.866 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1)N1CCOCC1 ZINC000175838729 530671474 /nfs/dbraw/zinc/67/14/74/530671474.db2.gz AHXZWIYKOVCFEJ-LLVKDONJSA-N 0 0 380.495 1.647 10 0 GDAERN O=Cc1ccc(OCC(=O)N[C@@H]2CCCn3ncnc32)c(Br)c1 ZINC000176134382 530677515 /nfs/dbraw/zinc/67/75/15/530677515.db2.gz VOAAKKVCFIYDJM-GFCCVEGCSA-N 0 0 379.214 1.883 10 0 GDAERN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@H](c2nccs2)C1 ZINC000176185101 530678321 /nfs/dbraw/zinc/67/83/21/530678321.db2.gz RDIBNLPMOUEXQT-SMDDNHRTSA-N 0 0 378.479 1.579 10 0 GDAERN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000176749626 530690342 /nfs/dbraw/zinc/69/03/42/530690342.db2.gz GNIGOJKKZWYDAJ-SNVBAGLBSA-N 0 0 387.259 1.863 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000177419066 530702751 /nfs/dbraw/zinc/70/27/51/530702751.db2.gz YQMYPFWDANHDOX-JTQLQIEISA-N 0 0 399.332 1.369 10 0 GDAERN COCCN(C(=O)N[C@H](C)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179508735 530743003 /nfs/dbraw/zinc/74/30/03/530743003.db2.gz PPTCGIIAZPPYMM-YPMHNXCESA-N 0 0 376.425 1.871 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178709208 530726420 /nfs/dbraw/zinc/72/64/20/530726420.db2.gz XXUAHMVNNNFTAZ-HOTGVXAUSA-N 0 0 380.853 1.636 10 0 GDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C(C)C ZINC000178854745 530729141 /nfs/dbraw/zinc/72/91/41/530729141.db2.gz IJRNCXXBXWXCGU-ZIAGYGMSSA-N 0 0 396.285 1.689 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178964719 530732811 /nfs/dbraw/zinc/73/28/11/530732811.db2.gz WHOSOCOHPISOBP-AWEZNQCLSA-N 0 0 395.301 1.120 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000180187746 530759693 /nfs/dbraw/zinc/75/96/93/530759693.db2.gz CSZGNLBDUKLXSC-SNVBAGLBSA-N 0 0 394.596 1.271 10 0 GDAERN O=C([C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2)N1CCSCC1 ZINC000066936955 530770097 /nfs/dbraw/zinc/77/00/97/530770097.db2.gz LTGDFUUIHMBCDT-QGZVFWFLSA-N 0 0 380.535 1.904 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)COc2ccccc2Br)cn1 ZINC000181453537 530783311 /nfs/dbraw/zinc/78/33/11/530783311.db2.gz DQJHEIWREZQBEC-AWEZNQCLSA-N 0 0 379.258 1.735 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3cccc(Br)n3)CC2)no1 ZINC000182613518 530801833 /nfs/dbraw/zinc/80/18/33/530801833.db2.gz QIGAUMGJSCZRAT-UHFFFAOYSA-N 0 0 380.246 1.884 10 0 GDAERN C[C@H](C[S@@](C)=O)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000181694935 530789665 /nfs/dbraw/zinc/78/96/65/530789665.db2.gz YWWJPMDGWLPFOD-NEKPFDEYSA-N 0 0 379.507 1.566 10 0 GDAERN Nc1ncc(Br)cc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097020298 530819808 /nfs/dbraw/zinc/81/98/08/530819808.db2.gz MMXZLTLDWLFNHO-GFCCVEGCSA-N 0 0 399.270 1.663 10 0 GDAERN O[C@H](COc1ccc(Br)cc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000106191621 530846836 /nfs/dbraw/zinc/84/68/36/530846836.db2.gz LSXCZJNKEOFWNL-RDJZCZTQSA-N 0 0 396.285 1.786 10 0 GDAERN O=C(CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C1CC1 ZINC000185891665 530848037 /nfs/dbraw/zinc/84/80/37/530848037.db2.gz WARLFXIBCVQFNU-OAHLLOKOSA-N 0 0 384.885 1.843 10 0 GDAERN C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000185993641 530849557 /nfs/dbraw/zinc/84/95/57/530849557.db2.gz VMLXVIHXXYTQCR-JTQLQIEISA-N 0 0 390.303 1.701 10 0 GDAERN O=C(NCc1cc2cc(Br)ccc2[nH]1)C1CC2(C1)NC(=O)NC2=O ZINC000186053161 530850134 /nfs/dbraw/zinc/85/01/34/530850134.db2.gz HKLWUEUEBHSNGL-UHFFFAOYSA-N 0 0 391.225 1.535 10 0 GDAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000109853845 530865338 /nfs/dbraw/zinc/86/53/38/530865338.db2.gz ZJWBAFSEGZMUTG-GFCCVEGCSA-N 0 0 394.273 1.628 10 0 GDAERN C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000110604906 530869068 /nfs/dbraw/zinc/86/90/68/530869068.db2.gz RXZPQCYRXCTHSQ-RISCZKNCSA-N 0 0 380.495 1.637 10 0 GDAERN CN1CCO[C@H](CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000104798008 530840844 /nfs/dbraw/zinc/84/08/44/530840844.db2.gz CIUPZVAFVGKUKW-CVEARBPZSA-N 0 0 398.301 1.863 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)CC(=O)N(C)C)C2=O)ccc1Br ZINC000185421453 530841384 /nfs/dbraw/zinc/84/13/84/530841384.db2.gz GNLVHUXQFUSHFD-AWEZNQCLSA-N 0 0 396.285 1.847 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000188716500 530899666 /nfs/dbraw/zinc/89/96/66/530899666.db2.gz UFMHDGYLZGXEHF-HZPDHXFCSA-N 0 0 395.297 1.969 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115580978 530900284 /nfs/dbraw/zinc/90/02/84/530900284.db2.gz GVSQMEFDAIJSQT-UHFFFAOYSA-N 0 0 386.909 1.012 10 0 GDAERN CC(C)(C)[S@@](=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000112301017 530880451 /nfs/dbraw/zinc/88/04/51/530880451.db2.gz NVHZTEZUSYPBJP-IZHWHUGBSA-N 0 0 386.539 1.503 10 0 GDAERN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000188223504 530889173 /nfs/dbraw/zinc/88/91/73/530889173.db2.gz FICOZFBEWSHLRC-GFCCVEGCSA-N 0 0 380.507 1.484 10 0 GDAERN Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000113789614 530892033 /nfs/dbraw/zinc/89/20/33/530892033.db2.gz YBHIBCMJRMGAMZ-JSGCOSHPSA-N 0 0 384.885 1.647 10 0 GDAERN O=C(CCCS(=O)(=O)N1CCCC1)N1CCC(Nc2nccs2)CC1 ZINC000190415517 530929550 /nfs/dbraw/zinc/92/95/50/530929550.db2.gz GUZXSBJDJCXCMI-UHFFFAOYSA-N 0 0 386.543 1.752 10 0 GDAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190654345 530934672 /nfs/dbraw/zinc/93/46/72/530934672.db2.gz YFYGWLRZYLRHOL-SNVBAGLBSA-N 0 0 375.231 1.187 10 0 GDAERN O=C(c1c(Cl)nc2ccccn21)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119897122 530933221 /nfs/dbraw/zinc/93/32/21/530933221.db2.gz QLGODPVSFMNLGG-GFCCVEGCSA-N 0 0 382.873 1.628 10 0 GDAERN CN1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1=O ZINC000190636471 530934096 /nfs/dbraw/zinc/93/40/96/530934096.db2.gz JSFSENKSPCSNMY-UHFFFAOYSA-N 0 0 379.869 1.975 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000189453940 530913745 /nfs/dbraw/zinc/91/37/45/530913745.db2.gz LLYJQYGOHYZTQA-HNNXBMFYSA-N 0 0 398.301 1.611 10 0 GDAERN CN1CCCN(C(=O)c2ccc(F)cc2I)CC1=O ZINC000189768961 530920405 /nfs/dbraw/zinc/92/04/05/530920405.db2.gz MHNUXCNPFXPANE-UHFFFAOYSA-N 0 0 376.169 1.735 10 0 GDAERN Cc1cc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CC2)n[nH]1 ZINC000189790501 530920636 /nfs/dbraw/zinc/92/06/36/530920636.db2.gz RGFBKJPADNWAGJ-UHFFFAOYSA-N 0 0 382.873 1.737 10 0 GDAERN Cc1cc(N2CCN(C(=O)c3cncc(I)c3)CC2)n[nH]1 ZINC000189800540 530921108 /nfs/dbraw/zinc/92/11/08/530921108.db2.gz KEYOKBVBSCZZAH-UHFFFAOYSA-N 0 0 397.220 1.680 10 0 GDAERN CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1=O ZINC000190632084 530934507 /nfs/dbraw/zinc/93/45/07/530934507.db2.gz GAGOXOWGXOZGSQ-GFCCVEGCSA-N 0 0 394.269 1.493 10 0 GDAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000189968121 530923175 /nfs/dbraw/zinc/92/31/75/530923175.db2.gz DDHHXLKZSIEPAX-SECBINFHSA-N 0 0 389.250 1.781 10 0 GDAERN Cn1cnnc1C1CCN(C(=O)c2ccncc2I)CC1 ZINC000119165275 530923489 /nfs/dbraw/zinc/92/34/89/530923489.db2.gz WZDHEFSMBWFDOU-UHFFFAOYSA-N 0 0 397.220 1.835 10 0 GDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc(Cn2cc(Br)cn2)on1 ZINC000120039258 530934923 /nfs/dbraw/zinc/93/49/23/530934923.db2.gz WUGURBIXAOQKES-LLVKDONJSA-N 0 0 392.217 1.538 10 0 GDAERN CN1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1=O ZINC000190637354 530935066 /nfs/dbraw/zinc/93/50/66/530935066.db2.gz ULCVFLIEMKUELM-UHFFFAOYSA-N 0 0 377.242 1.939 10 0 GDAERN CCc1cc(=O)n2nc(NCCNS(=O)(=O)c3cccs3)sc2n1 ZINC000120021473 530935259 /nfs/dbraw/zinc/93/52/59/530935259.db2.gz HUKNAZJYAWOVRP-UHFFFAOYSA-N 0 0 385.496 1.165 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000120287837 530938397 /nfs/dbraw/zinc/93/83/97/530938397.db2.gz MRCVEFYUEMGNOS-VIFPVBQESA-N 0 0 382.193 1.249 10 0 GDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000190994155 530941914 /nfs/dbraw/zinc/94/19/14/530941914.db2.gz JSZFORZLZFIBRL-SECBINFHSA-N 0 0 389.271 1.283 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000191508831 530949856 /nfs/dbraw/zinc/94/98/56/530949856.db2.gz SOQVBRQEFFREPP-AWEZNQCLSA-N 0 0 380.242 1.149 10 0 GDAERN COc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)c(I)c1 ZINC000121305883 530954455 /nfs/dbraw/zinc/95/44/55/530954455.db2.gz PVPRCRDQQCAXIW-SECBINFHSA-N 0 0 398.204 1.636 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c(=O)c1Br ZINC000191906234 530956758 /nfs/dbraw/zinc/95/67/58/530956758.db2.gz PZTFLVZUECZEIR-QMMMGPOBSA-N 0 0 377.260 1.365 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000121463562 530957092 /nfs/dbraw/zinc/95/70/92/530957092.db2.gz KZCHRIUBDJTYPF-INIZCTEOSA-N 0 0 383.495 1.740 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c(Cl)n1 ZINC000193946317 530996267 /nfs/dbraw/zinc/99/62/67/530996267.db2.gz AQHRSHZDMYJRJI-OCCSQVGLSA-N 0 0 384.889 1.911 10 0 GDAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)CCO2)n1 ZINC000193953113 530996484 /nfs/dbraw/zinc/99/64/84/530996484.db2.gz MCUYGUMRAPLUMV-JTQLQIEISA-N 0 0 376.891 1.909 10 0 GDAERN Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)c(Br)c1 ZINC000123675956 530986623 /nfs/dbraw/zinc/98/66/23/530986623.db2.gz ONKYFEKHTFJBGB-CYBMUJFWSA-N 0 0 389.315 1.899 10 0 GDAERN NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000195009546 531013617 /nfs/dbraw/zinc/01/36/17/531013617.db2.gz YFROHLIRNURWCH-ZDUSSCGKSA-N 0 0 397.250 1.960 10 0 GDAERN O=C(NCc1ccc(O)c(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000126108317 531014706 /nfs/dbraw/zinc/01/47/06/531014706.db2.gz QFVMMOBEOUHWRK-ZDUSSCGKSA-N 0 0 384.274 1.771 10 0 GDAERN CCN(C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1nc(C)cs1 ZINC000126161336 531015782 /nfs/dbraw/zinc/01/57/82/531015782.db2.gz XLIYWVZSXRKOBM-LLVKDONJSA-N 0 0 378.479 1.932 10 0 GDAERN NS(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@H]2c2nccs2)c1 ZINC000195366044 531021937 /nfs/dbraw/zinc/02/19/37/531021937.db2.gz QIIDKCYQWOFHNW-AWEZNQCLSA-N 0 0 380.495 1.956 10 0 GDAERN CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127156283 531026302 /nfs/dbraw/zinc/02/63/02/531026302.db2.gz UTCXFQSRTWNIJT-CYBMUJFWSA-N 0 0 383.290 1.503 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cncc(I)c1 ZINC000127633569 531032675 /nfs/dbraw/zinc/03/26/75/531032675.db2.gz QNRGODXFENDRPD-LLVKDONJSA-N 0 0 383.193 1.851 10 0 GDAERN COCCN(C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246015245 531062134 /nfs/dbraw/zinc/06/21/34/531062134.db2.gz KVKSMEJDQXNHDX-UPJWGTAASA-N 0 0 386.436 1.953 10 0 GDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC[C@H]1CCCO1 ZINC000246060567 531063312 /nfs/dbraw/zinc/06/33/12/531063312.db2.gz WAUPEYNSDUJDIA-CVEARBPZSA-N 0 0 388.555 1.952 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000246410448 531066917 /nfs/dbraw/zinc/06/69/17/531066917.db2.gz GUOLAKNDEVXOFN-VOIUYBSRSA-N 0 0 386.539 1.587 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000128097608 531037513 /nfs/dbraw/zinc/03/75/13/531037513.db2.gz CUSUHTQVBUVFEJ-ARFHVFGLSA-N 0 0 383.286 1.362 10 0 GDAERN C[C@H](C[S@@](=O)Cc1nc(-c2ccc(F)c(F)c2)no1)CS(C)(=O)=O ZINC000129353677 531050276 /nfs/dbraw/zinc/05/02/76/531050276.db2.gz AKUDSKGAMRHFJT-WBNWAKSLSA-N 0 0 378.422 1.944 10 0 GDAERN O=S1(=O)CC[C@H](N(Cc2nc(-c3ccsc3)no2)C[C@H]2CCCO2)C1 ZINC000245535297 531058386 /nfs/dbraw/zinc/05/83/86/531058386.db2.gz WLJJNAKIIOZSRA-UONOGXRCSA-N 0 0 383.495 1.966 10 0 GDAERN NC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000245784109 531061030 /nfs/dbraw/zinc/06/10/30/531061030.db2.gz MOEPCEBSOFXGFT-CABCVRRESA-N 0 0 379.258 1.573 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000247638754 531076367 /nfs/dbraw/zinc/07/63/67/531076367.db2.gz UMVMMNBETIKGMQ-GOEBONIOSA-N 0 0 386.539 1.503 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)c(C)c1 ZINC000247898212 531077001 /nfs/dbraw/zinc/07/70/01/531077001.db2.gz YKAILYIKXWYALV-UHFFFAOYSA-N 0 0 381.889 1.840 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1c(F)cc(Br)cc1F ZINC000132347187 531080098 /nfs/dbraw/zinc/08/00/98/531080098.db2.gz IDAZAJJREUQTPD-JTQLQIEISA-N 0 0 379.201 1.150 10 0 GDAERN C[C@@H](c1cccs1)N(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000248862315 531082614 /nfs/dbraw/zinc/08/26/14/531082614.db2.gz PVLNPTAVMDGBOS-GJZGRUSLSA-N 0 0 385.555 1.072 10 0 GDAERN O=C(CCCOc1cccc(Cl)c1Cl)NC[C@H](O)CN1CCOCC1 ZINC000132710894 531083567 /nfs/dbraw/zinc/08/35/67/531083567.db2.gz OLMSSKFSQGAKQM-ZDUSSCGKSA-N 0 0 391.295 1.962 10 0 GDAERN O=C(NCCOc1ncc(Cl)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000134875501 531104922 /nfs/dbraw/zinc/10/49/22/531104922.db2.gz VNGHRHLWUFXSIF-ZDUSSCGKSA-N 0 0 389.283 1.883 10 0 GDAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000134056001 531097082 /nfs/dbraw/zinc/09/70/82/531097082.db2.gz QKLLAIKBVQBLKG-QWHCGFSZSA-N 0 0 376.272 1.886 10 0 GDAERN CC(C)[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000134250925 531098284 /nfs/dbraw/zinc/09/82/84/531098284.db2.gz LUKNEBKPEFHKDT-BBRMVZONSA-N 0 0 388.917 1.874 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000246977041 531071325 /nfs/dbraw/zinc/07/13/25/531071325.db2.gz JIEGSDBIQOFALJ-HIFRSBDPSA-N 0 0 385.917 1.707 10 0 GDAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1nc2ncc(Br)cn2n1 ZINC000246980517 531071354 /nfs/dbraw/zinc/07/13/54/531071354.db2.gz SZMLNCBHIHLVFS-IJLUTSLNSA-N 0 0 392.257 1.964 10 0 GDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(I)c[nH]1 ZINC000135282559 531108043 /nfs/dbraw/zinc/10/80/43/531108043.db2.gz UJBFHQVONSGRIM-NSHDSACASA-N 0 0 397.220 1.808 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137352543 531118158 /nfs/dbraw/zinc/11/81/58/531118158.db2.gz CEDNJBYCPWFGFE-VXNVDRBHSA-N 0 0 379.770 1.506 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137352664 531118361 /nfs/dbraw/zinc/11/83/61/531118361.db2.gz CEDNJBYCPWFGFE-APPZFPTMSA-N 0 0 379.770 1.506 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000151082830 531133579 /nfs/dbraw/zinc/13/35/79/531133579.db2.gz QQLAHTREVHZVMZ-JTQLQIEISA-N 0 0 395.261 1.958 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)c1nnc(-c2cccs2)n1C1CC1 ZINC000153063614 531161753 /nfs/dbraw/zinc/16/17/53/531161753.db2.gz PRYSRYUGISLUPD-UHFFFAOYSA-N 0 0 379.471 1.883 10 0 GDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cncc(Br)c2)cn1 ZINC000153984742 531175100 /nfs/dbraw/zinc/17/51/00/531175100.db2.gz NNTJBABLAJBYPF-ZDUSSCGKSA-N 0 0 378.230 1.880 10 0 GDAERN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]1CO ZINC000154017909 531176511 /nfs/dbraw/zinc/17/65/11/531176511.db2.gz MWRHJPSMVHXSKT-UKRRQHHQSA-N 0 0 386.901 1.724 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)CO1 ZINC000156687309 531205379 /nfs/dbraw/zinc/20/53/79/531205379.db2.gz DZDXLJBHPYWFPA-JHJVBQTASA-N 0 0 375.441 1.487 10 0 GDAERN Cc1cnn(C[C@@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)CCO2)c1 ZINC000157208926 531206254 /nfs/dbraw/zinc/20/62/54/531206254.db2.gz VNONBGMJVHMNCH-HOTGVXAUSA-N 0 0 393.285 1.881 10 0 GDAERN CS(=O)(=O)c1ccc2c(c1)CCN(S(=O)(=O)C[C@@H]1CCCCO1)CC2 ZINC000407982046 531210038 /nfs/dbraw/zinc/21/00/38/531210038.db2.gz FYEMBUSLULVMFK-INIZCTEOSA-N 0 0 387.523 1.390 10 0 GDAERN NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000407956960 531208893 /nfs/dbraw/zinc/20/88/93/531208893.db2.gz KHEAAQCXMVODMG-XNRPHZJLSA-N 0 0 399.310 1.542 10 0 GDAERN CCS(=O)(=O)N1CCN(C(=O)C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000407987957 531209334 /nfs/dbraw/zinc/20/93/34/531209334.db2.gz SMFQUEDMTSWTLS-UHFFFAOYSA-N 0 0 386.543 1.162 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000264952177 531214558 /nfs/dbraw/zinc/21/45/58/531214558.db2.gz KYAMCKOPGKAQSF-DZGCQCFKSA-N 0 0 386.539 1.564 10 0 GDAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000408031893 531213126 /nfs/dbraw/zinc/21/31/26/531213126.db2.gz QCEVORCJJAHMCD-MRXNPFEDSA-N 0 0 390.864 1.617 10 0 GDAERN COc1nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ncc1Br ZINC000408035041 531213289 /nfs/dbraw/zinc/21/32/89/531213289.db2.gz WFCXFKMJDZGBJH-KOLCDFICSA-N 0 0 389.225 1.023 10 0 GDAERN C[C@H](C(=O)N1CCN(C)C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000408114721 531220095 /nfs/dbraw/zinc/22/00/95/531220095.db2.gz ZBGXETRDZNZSLJ-GHMZBOCLSA-N 0 0 394.269 1.596 10 0 GDAERN NS(=O)(=O)c1cc(F)c(N2CCN3CCCC[C@H]3C2)c(Br)c1 ZINC000408229239 531227206 /nfs/dbraw/zinc/22/72/06/531227206.db2.gz OLEUCPFDWNVNNI-JTQLQIEISA-N 0 0 392.294 1.910 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCc2cc(Cl)c3c(c2)OCCO3)[C@@H](C)CO1 ZINC000408234112 531227231 /nfs/dbraw/zinc/22/72/31/531227231.db2.gz BLWOWEMAYXABDO-WDEREUQCSA-N 0 0 376.862 1.555 10 0 GDAERN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCO2)cn1 ZINC000408216240 531226061 /nfs/dbraw/zinc/22/60/61/531226061.db2.gz VUGWYGIWGHJLAC-JTQLQIEISA-N 0 0 376.232 1.538 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1=O ZINC000408258942 531229666 /nfs/dbraw/zinc/22/96/66/531229666.db2.gz DIDDQWNQWAXYPU-HNNXBMFYSA-N 0 0 383.246 1.282 10 0 GDAERN CS(=O)(=O)N1CCCN(C(=O)CN2CCOc3ccc(Cl)cc32)CC1 ZINC000408237034 531228165 /nfs/dbraw/zinc/22/81/65/531228165.db2.gz 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ZINC000408447201 531242190 /nfs/dbraw/zinc/24/21/90/531242190.db2.gz VTUGFANTYLRDTK-QGZVFWFLSA-N 0 0 375.535 1.383 10 0 GDAERN Cn1cc(CNS(=O)(=O)C[C@H]2CCCN(C(=O)c3cccs3)C2)cn1 ZINC000521396699 531246321 /nfs/dbraw/zinc/24/63/21/531246321.db2.gz QPIOEEYXVLZGDV-ZDUSSCGKSA-N 0 0 382.511 1.453 10 0 GDAERN CS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2ccnc2)c(S(C)(=O)=O)c1 ZINC000267394449 531422836 /nfs/dbraw/zinc/42/28/36/531422836.db2.gz OCYYTIYIUICJIC-ZDUSSCGKSA-N 0 0 383.495 1.359 10 0 GDAERN Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2nc(-c3ccsc3)no2)cn1 ZINC000279375502 531429260 /nfs/dbraw/zinc/42/92/60/531429260.db2.gz XLYJGKNNADEKMN-CYBMUJFWSA-N 0 0 379.467 1.503 10 0 GDAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000270199507 531839553 /nfs/dbraw/zinc/83/95/53/531839553.db2.gz BYXWPYXSEHJVEC-NEPJUHHUSA-N 0 0 390.552 1.519 10 0 GDAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000270604927 531901088 /nfs/dbraw/zinc/90/10/88/531901088.db2.gz GNBVLFJUWLNLCG-VXNVDRBHSA-N 0 0 391.243 1.236 10 0 GDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000284136159 531933461 /nfs/dbraw/zinc/93/34/61/531933461.db2.gz IEETVVJGBIRWNK-SWLSCSKDSA-N 0 0 395.301 1.948 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284872397 532000824 /nfs/dbraw/zinc/00/08/24/532000824.db2.gz YVKSSQJPFJHJOZ-ZYHUDNBSSA-N 0 0 375.288 1.808 10 0 GDAERN Cn1ncc(N2CCCN(C(=O)c3cccs3)CC2)c(Br)c1=O ZINC000301223786 532028735 /nfs/dbraw/zinc/02/87/35/532028735.db2.gz DNYGCBKORRCGOP-UHFFFAOYSA-N 0 0 397.298 1.957 10 0 GDAERN CN1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1c1ncc[nH]1 ZINC000328627994 532088892 /nfs/dbraw/zinc/08/88/92/532088892.db2.gz NGXHONCXJAABST-NSHDSACASA-N 0 0 380.861 1.388 10 0 GDAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329152007 532097303 /nfs/dbraw/zinc/09/73/03/532097303.db2.gz BBUVPOHYRGQJPE-OLZOCXBDSA-N 0 0 381.523 1.433 10 0 GDAERN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(=O)n1C ZINC000286384458 532146418 /nfs/dbraw/zinc/14/64/18/532146418.db2.gz QJFPDOVYCWAIEO-NILFDRSVSA-N 0 0 399.285 1.458 10 0 GDAERN CN1CC[C@H](C(=O)N2CCNC(=O)c3ccc(Br)cc32)CC1=O ZINC000333422173 532233879 /nfs/dbraw/zinc/23/38/79/532233879.db2.gz RYWJOGKJHOFTKE-JTQLQIEISA-N 0 0 380.242 1.394 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000333187024 532224170 /nfs/dbraw/zinc/22/41/70/532224170.db2.gz NCYZVSXQTQPQAL-NEPJUHHUSA-N 0 0 396.245 1.904 10 0 GDAERN O=C(c1cccnc1-n1cc(Br)cn1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000333757651 532248657 /nfs/dbraw/zinc/24/86/57/532248657.db2.gz YYCHVEDMGOPYDL-ZLKJLUDKSA-N 0 0 377.242 1.873 10 0 GDAERN O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333917650 532256276 /nfs/dbraw/zinc/25/62/76/532256276.db2.gz NXNCGEVIGKBSQR-GARJFASQSA-N 0 0 383.861 1.302 10 0 GDAERN CN(C)S(=O)(=O)[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1C(F)(F)F ZINC000288914324 532311270 /nfs/dbraw/zinc/31/12/70/532311270.db2.gz XOJBDEHULMICNA-NXEZZACHSA-N 0 0 381.376 1.446 10 0 GDAERN OC[C@@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H]1O ZINC000166032084 203751973 /nfs/dbraw/zinc/75/19/73/203751973.db2.gz RYLVNYDICPAOQR-MHNYQROPSA-N 0 0 378.606 1.402 10 0 GDAERN CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc32)c1 ZINC000003665260 204017874 /nfs/dbraw/zinc/01/78/74/204017874.db2.gz XTUKMFYZPNIPPR-UHFFFAOYSA-N 0 0 388.405 1.733 10 0 GDAERN Cn1c2nnc(CCC(=O)NCCc3ccccc3)n2c2ccccc2c1=O ZINC000006803108 204208250 /nfs/dbraw/zinc/20/82/50/204208250.db2.gz QIUMZWJYBGQBRN-UHFFFAOYSA-N 0 0 375.432 1.873 10 0 GDAERN C[C@H](COc1ccc2c(c1)OCO2)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000006747088 204198632 /nfs/dbraw/zinc/19/86/32/204198632.db2.gz ULBORTSHUIADHQ-GFCCVEGCSA-N 0 0 381.388 1.778 10 0 GDAERN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCSC)c(F)c1 ZINC000011879142 204359991 /nfs/dbraw/zinc/35/99/91/204359991.db2.gz ZHQQQDUKUGQNPG-MRXNPFEDSA-N 0 0 383.489 1.394 10 0 GDAERN Cc1ccn(CCC(=O)N2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)n1 ZINC000011973993 204366547 /nfs/dbraw/zinc/36/65/47/204366547.db2.gz IYWKNJKGYFWYTE-HXUWFJFHSA-N 0 0 389.500 1.835 10 0 GDAERN NC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1 ZINC000012202528 204382658 /nfs/dbraw/zinc/38/26/58/204382658.db2.gz NMCUMOPAPMBBHD-UHFFFAOYSA-N 0 0 387.417 1.630 10 0 GDAERN Cc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000012208657 204384065 /nfs/dbraw/zinc/38/40/65/204384065.db2.gz PSDJQNBPPUSMQZ-UHFFFAOYSA-N 0 0 395.506 1.799 10 0 GDAERN CCOC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC(C)=C2C(=O)OC(C)C ZINC000020609451 204731403 /nfs/dbraw/zinc/73/14/03/204731403.db2.gz JAMDLFINJIKHGK-HXUWFJFHSA-N 0 0 386.404 1.866 10 0 GDAERN CC(=O)O[C@H]1[C@H](OC(C)=O)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O ZINC000039141784 205040751 /nfs/dbraw/zinc/04/07/51/205040751.db2.gz MMMFFJBLSNOZRA-ZBLLQYKHSA-N 0 0 394.376 1.252 10 0 GDAERN C[C@H](Sc1ncccn1)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000040157642 205060548 /nfs/dbraw/zinc/06/05/48/205060548.db2.gz NJDJDODNGSQXLY-CVEARBPZSA-N 0 0 391.541 1.502 10 0 GDAERN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCc1cccnc1 ZINC000055341860 205146849 /nfs/dbraw/zinc/14/68/49/205146849.db2.gz GXMZNRPRGMZFEM-MTCRFPMVSA-N 0 0 394.475 1.610 10 0 GDAERN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(=O)n(C)nc1n(CCC(C)C)c2=O ZINC000064587906 205192930 /nfs/dbraw/zinc/19/29/30/205192930.db2.gz QWMVTSKFQWJJAP-ZDUSSCGKSA-N 0 0 385.468 1.922 10 0 GDAERN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NC2CC2)CC3)CC1 ZINC000065273684 205225916 /nfs/dbraw/zinc/22/59/16/205225916.db2.gz VEFGVAYVYVCGCD-CYBMUJFWSA-N 0 0 376.526 1.831 10 0 GDAERN Cc1cc(C)nc(CN(C)S(=O)(=O)c2sc3c(c2C(=O)[O-])CC[NH2+]C3)c1 ZINC000067872828 205266721 /nfs/dbraw/zinc/26/67/21/205266721.db2.gz VIKZSHDFMMODGV-UHFFFAOYSA-N 0 0 395.506 1.925 10 0 GDAERN C/C=C/CC(=O)N1C[C@H](NC(=O)c2ncoc2C)C[C@H]1C(=O)N(CC)CC ZINC000096152773 205534824 /nfs/dbraw/zinc/53/48/24/205534824.db2.gz AWRVWRHPCLLTRE-ZRJDUIELSA-N 0 0 376.457 1.517 10 0 GDAERN COC(=O)[C@@H](CC(C)C)NC(=O)CSCc1nc2ccccc2c(=O)[nH]1 ZINC000098038107 206226573 /nfs/dbraw/zinc/22/65/73/206226573.db2.gz IFICSVXXKOPEMD-CQSZACIVSA-N 0 0 377.466 1.860 10 0 GDAERN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(C)C2=O ZINC000021781162 570295846 /nfs/dbraw/zinc/29/58/46/570295846.db2.gz ZZMNCCRGZIKGGR-LJQANCHMSA-N 0 0 376.457 1.743 10 0 GDAERN CC(=O)c1c(C)nn(CCC(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)c1C ZINC000220358367 570385504 /nfs/dbraw/zinc/38/55/04/570385504.db2.gz NLBWWSJWTNVIHK-FQEVSTJZSA-N 0 0 385.468 1.775 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000092014706 570437180 /nfs/dbraw/zinc/43/71/80/570437180.db2.gz CNMLDFJDCAEMFD-AWEZNQCLSA-N 0 0 385.534 1.852 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000097086292 570890455 /nfs/dbraw/zinc/89/04/55/570890455.db2.gz FVRQYBNNAYHPPW-GFCCVEGCSA-N 0 0 398.872 1.826 10 0 GDAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NC1CCOCC1 ZINC000023128411 570914871 /nfs/dbraw/zinc/91/48/71/570914871.db2.gz IZRJMBAXSLLLQQ-FQEVSTJZSA-N 0 0 381.476 1.826 10 0 GDAERN COCCC(=O)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293308 570959530 /nfs/dbraw/zinc/95/95/30/570959530.db2.gz UIZSOPHMZBKIAW-SFHVURJKSA-N 0 0 377.460 1.497 10 0 GDAERN NS(=O)(=O)c1ccc(Br)c(C(=O)NCC[C@@H]2CCCO2)c1 ZINC000106429619 644613540 /nfs/dbraw/zinc/61/35/40/644613540.db2.gz VJWDGYHCJGHCNO-VIFPVBQESA-N 0 0 377.260 1.395 10 0 GDAERN Cc1csc([C@](O)(CC(=O)NC[C@H](C)N2CCOCC2)C(F)(F)F)n1 ZINC000109026524 644621316 /nfs/dbraw/zinc/62/13/16/644621316.db2.gz CCDXZNXCSGOOSZ-SMDDNHRTSA-N 0 0 381.420 1.428 10 0 GDAERN Cc1cnn(C[C@@H]2CN(Cn3ncn(CC(F)(F)F)c3=S)CCO2)c1 ZINC000112071900 644630425 /nfs/dbraw/zinc/63/04/25/644630425.db2.gz BQBVUUIWFOHZPP-LBPRGKRZSA-N 0 0 376.408 1.840 10 0 GDAERN O=c1c(Cl)c(Cl)cnn1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000118959080 644654945 /nfs/dbraw/zinc/65/49/45/644654945.db2.gz HWXRTTVIVFCZOA-HNNXBMFYSA-N 0 0 383.279 1.859 10 0 GDAERN CN(Cc1cc(Br)cs1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126589916 644721678 /nfs/dbraw/zinc/72/16/78/644721678.db2.gz OUGNPBNARZAPRO-JTQLQIEISA-N 0 0 381.317 1.246 10 0 GDAERN CN(Cc1csc(Br)c1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126699355 644722339 /nfs/dbraw/zinc/72/23/39/644722339.db2.gz ONVQHSXQDGKGGT-JTQLQIEISA-N 0 0 381.317 1.246 10 0 GDAERN CCN1CCO[C@H](CNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000134702837 644760805 /nfs/dbraw/zinc/76/08/05/644760805.db2.gz GWXQZTUKCXUNOP-SNVBAGLBSA-N 0 0 398.710 1.497 10 0 GDAERN S=c1n(Cc2cccs2)nnn1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152794030 644790838 /nfs/dbraw/zinc/79/08/38/644790838.db2.gz SSDASUPOVIUZNS-CYBMUJFWSA-N 0 0 377.499 1.474 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3)CC2)s1 ZINC000177600513 644918956 /nfs/dbraw/zinc/91/89/56/644918956.db2.gz DUDPDOGOTSZSPX-UHFFFAOYSA-N 0 0 379.873 1.783 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1C ZINC000179724243 644936050 /nfs/dbraw/zinc/93/60/50/644936050.db2.gz WTSSVNCQONSBPB-LBPRGKRZSA-N 0 0 399.289 1.352 10 0 GDAERN C[C@@H]1CN(Cn2c3cc(Br)c(F)cc3oc2=O)C[C@H](C(N)=O)O1 ZINC000192162300 645038069 /nfs/dbraw/zinc/03/80/69/645038069.db2.gz MFZVNLLTEYIMLO-JMCQJSRRSA-N 0 0 388.193 1.028 10 0 GDAERN CCCN1CCN(C(=O)c2cnc(-n3cnnc3)c(Br)c2)CC1 ZINC000223072205 645074223 /nfs/dbraw/zinc/07/42/23/645074223.db2.gz RFKQTQXWHTXESZ-UHFFFAOYSA-N 0 0 379.262 1.593 10 0 GDAERN CN(C)C(=O)[C@H]1CSCN1C(=O)CCN1C(=O)CSc2ccccc21 ZINC000328891969 645286043 /nfs/dbraw/zinc/28/60/43/645286043.db2.gz TUKINBQRAFXIFY-CYBMUJFWSA-N 0 0 379.507 1.505 10 0 GDAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000328954628 645291437 /nfs/dbraw/zinc/29/14/37/645291437.db2.gz YMBJRQUBYFVEMF-BBRMVZONSA-N 0 0 388.511 1.317 10 0 GDAERN O=S1(=O)CC[C@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@H]21 ZINC000329208239 645302377 /nfs/dbraw/zinc/30/23/77/645302377.db2.gz YPDRHQXSZDFHGI-ITDIGPHOSA-N 0 0 380.293 1.852 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000708546849 955000670 /nfs/dbraw/zinc/00/06/70/955000670.db2.gz RUZQYDJABFLOFZ-PVAVHDDUSA-N 0 0 381.498 1.138 10 0 GDAERN O=C([O-])c1cccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702617401 977096774 /nfs/dbraw/zinc/09/67/74/977096774.db2.gz BMFYGCFUQQBABO-IBGZPJMESA-N 0 0 390.461 1.300 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000708533380 977434406 /nfs/dbraw/zinc/43/44/06/977434406.db2.gz QDHRYNOKEOTOER-ZBFHGGJFSA-N 0 0 392.481 1.014 10 0 GDAERN C[N@H+](CCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)Cc1ccccc1 ZINC000715824177 977791101 /nfs/dbraw/zinc/79/11/01/977791101.db2.gz NUGWTGZZDRXFKL-FXAWDEMLSA-N 0 0 375.469 1.641 10 0 GDAERN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000716172187 977810661 /nfs/dbraw/zinc/81/06/61/977810661.db2.gz FHENZMJTBAZLOH-CXAGYDPISA-N 0 0 377.466 1.902 10 0 GDAERN C[S@@](=O)Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000158475282 530533402 /nfs/dbraw/zinc/53/34/02/530533402.db2.gz NWPBYRQNVJCOIA-RLNWEABKSA-N 0 0 386.901 1.824 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162272864 530567495 /nfs/dbraw/zinc/56/74/95/530567495.db2.gz IVXMBMBXDVLNNT-TZMCWYRMSA-N 0 0 394.273 1.838 10 0 GDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000162738666 530570958 /nfs/dbraw/zinc/57/09/58/530570958.db2.gz QOOYMWCZHVVQOS-JTQLQIEISA-N 0 0 391.168 1.830 10 0 GDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3csc(S(C)(=O)=O)c3)C2)n1 ZINC000163042580 530572959 /nfs/dbraw/zinc/57/29/59/530572959.db2.gz GWWVYAZRQXICJR-ZDUSSCGKSA-N 0 0 382.511 1.912 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C(F)(F)F)C3)cc2[nH]c1=O ZINC000023395302 530574885 /nfs/dbraw/zinc/57/48/85/530574885.db2.gz IDPVOEULRYCZEW-QMMMGPOBSA-N 0 0 377.344 1.179 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)no1 ZINC000163954359 530578294 /nfs/dbraw/zinc/57/82/94/530578294.db2.gz KJCRWDVTQVOSRB-UHFFFAOYSA-N 0 0 384.483 1.191 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000171285941 530596901 /nfs/dbraw/zinc/59/69/01/530596901.db2.gz XVRPEBAEZRVYJP-GFCCVEGCSA-N 0 0 379.258 1.900 10 0 GDAERN NC(=O)[C@H]1CCCN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C1 ZINC000031637560 530602808 /nfs/dbraw/zinc/60/28/08/530602808.db2.gz BABLZEAEQGNGPJ-VIFPVBQESA-N 0 0 383.235 1.427 10 0 GDAERN C[C@@H]1O[C@@H](Oc2c[nH]c3cc(Cl)c(Br)cc23)[C@@H](O)[C@H](O)[C@@H]1O ZINC000033358919 530612219 /nfs/dbraw/zinc/61/22/19/530612219.db2.gz OZAVURYDRCYQJF-QRMYAHLGSA-N 0 0 392.633 1.790 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(I)c3)CCO2)[nH]1 ZINC000173090027 530623082 /nfs/dbraw/zinc/62/30/82/530623082.db2.gz CAVROJQKXXJCJH-GFCCVEGCSA-N 0 0 398.204 1.931 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173350682 530628326 /nfs/dbraw/zinc/62/83/26/530628326.db2.gz YMNOQBNNYHUAQJ-CQSZACIVSA-N 0 0 396.285 1.629 10 0 GDAERN C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000173401732 530629686 /nfs/dbraw/zinc/62/96/86/530629686.db2.gz CLLZXXWTEQMTKE-BBRMVZONSA-N 0 0 386.901 1.293 10 0 GDAERN CCc1csc([C@H]2CCCN(CCNS(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000173603706 530633761 /nfs/dbraw/zinc/63/37/61/530633761.db2.gz LAQSBLFIPLKNBA-ZDUSSCGKSA-N 0 0 383.543 1.597 10 0 GDAERN O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173691004 530634687 /nfs/dbraw/zinc/63/46/87/530634687.db2.gz BEHXZZIJQGFZGB-NSHDSACASA-N 0 0 378.230 1.843 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172742950 530617237 /nfs/dbraw/zinc/61/72/37/530617237.db2.gz OFQKJJPMVHTQIH-ZDUSSCGKSA-N 0 0 386.901 1.680 10 0 GDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1c[nH]c(=O)c(Br)c1 ZINC000173033470 530621907 /nfs/dbraw/zinc/62/19/07/530621907.db2.gz GDLJGYGQKOYPSR-LBPRGKRZSA-N 0 0 397.250 1.786 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(F)c1)N1CCOCC1 ZINC000174629237 530651406 /nfs/dbraw/zinc/65/14/06/530651406.db2.gz NBTHQYXOZHLCCZ-SNVBAGLBSA-N 0 0 388.237 1.364 10 0 GDAERN O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CCCn2ncnc21 ZINC000175823595 530671309 /nfs/dbraw/zinc/67/13/09/530671309.db2.gz UOJFBIPYXPDYGZ-LBPRGKRZSA-N 0 0 383.861 1.251 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)F)C[C@@H]1N1CCOCC1 ZINC000176990221 530695695 /nfs/dbraw/zinc/69/56/95/530695695.db2.gz OUIWWPXUGYJONV-STQMWFEESA-N 0 0 376.425 1.629 10 0 GDAERN Cc1csc([C@@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)CCO2)n1 ZINC000177033613 530695984 /nfs/dbraw/zinc/69/59/84/530695984.db2.gz DJCSTTVBYUEVMA-JTQLQIEISA-N 0 0 380.392 1.603 10 0 GDAERN O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177627943 530707208 /nfs/dbraw/zinc/70/72/08/530707208.db2.gz CDMBEJMBQGRCML-SECBINFHSA-N 0 0 398.648 1.764 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1)CC2 ZINC000177643515 530707806 /nfs/dbraw/zinc/70/78/06/530707806.db2.gz LSVOJDWIQMZGII-LBPRGKRZSA-N 0 0 392.257 1.673 10 0 GDAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCCN(S(C)(=O)=O)CC2)n1 ZINC000179408825 530739623 /nfs/dbraw/zinc/73/96/23/530739623.db2.gz GMYJIKLMUFJTJE-UHFFFAOYSA-N 0 0 378.445 1.584 10 0 GDAERN CNC(=O)[C@H](NC(=O)COc1ccc(I)cc1)C(C)C ZINC000178687089 530725318 /nfs/dbraw/zinc/72/53/18/530725318.db2.gz 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ZINC000011968825 204365801 /nfs/dbraw/zinc/36/58/01/204365801.db2.gz DIFPIYGSKOFHSD-BETUJISGSA-N 0 0 391.859 1.611 10 0 GDAERN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NC(C)(C)C ZINC000012210346 204383545 /nfs/dbraw/zinc/38/35/45/204383545.db2.gz CWGAHJAYJRGSFI-UHFFFAOYSA-N 0 0 376.500 1.702 10 0 GDAERN Cc1cc2c(nc3n(c2=O)CCN(C(=O)c2nn(C)cc2Cl)CC3)s1 ZINC000012253218 204388220 /nfs/dbraw/zinc/38/82/20/204388220.db2.gz VSHAOFAZSRLXEY-UHFFFAOYSA-N 0 0 377.857 1.852 10 0 GDAERN CN1CCN(S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000065115302 205212191 /nfs/dbraw/zinc/21/21/91/205212191.db2.gz BYSKYKQUAXSRKU-UHFFFAOYSA-N 0 0 392.481 1.390 10 0 GDAERN COc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCC2)cc1 ZINC000065152436 205214632 /nfs/dbraw/zinc/21/46/32/205214632.db2.gz FZHUSRAIRMMWNF-UHFFFAOYSA-N 0 0 378.454 1.856 10 0 GDAERN Cn1nc([C@@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)n(-c2ccccc2)c1=O ZINC000077100542 205358114 /nfs/dbraw/zinc/35/81/14/205358114.db2.gz QWSDOZXJQVZYSZ-OAHLLOKOSA-N 0 0 393.447 1.290 10 0 GDAERN O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O)c1cnccn1 ZINC000096296034 206121871 /nfs/dbraw/zinc/12/18/71/206121871.db2.gz XFDWDQWVXSGWQW-UCLAIMLFSA-N 0 0 395.419 1.408 10 0 biogenic GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccc3)nc(-c3cnccn3)n2)CC1 ZINC000073685613 527610730 /nfs/dbraw/zinc/61/07/30/527610730.db2.gz DWAAYKPMZDNYNN-UHFFFAOYSA-N 0 0 376.420 1.807 10 0 GDAERN O=C(CCCN1CCCC1=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000219295811 570351508 /nfs/dbraw/zinc/35/15/08/570351508.db2.gz HYBAOIOZMTYZNN-NRFANRHFSA-N 0 0 382.464 1.710 10 0 GDAERN COCCN1C(=O)C[C@@H](CNC(=O)c2ccncc2)[C@@H]1c1cnn(C(C)C)c1 ZINC000583623210 570801638 /nfs/dbraw/zinc/80/16/38/570801638.db2.gz XJGCXXGYAXSVPZ-QFBILLFUSA-N 0 0 385.468 1.825 10 0 GDAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1O ZINC000725242063 570999129 /nfs/dbraw/zinc/99/91/29/570999129.db2.gz CSUYMSSDQSNAEH-WOJBJXKFSA-N 0 0 396.443 1.997 10 0 GDAERN CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)oc2Br)C1 ZINC000155699593 644815179 /nfs/dbraw/zinc/81/51/79/644815179.db2.gz VDXSXPUOYPLGMV-VIFPVBQESA-N 0 0 395.275 1.591 10 0 GDAERN C[C@H](CNC(=O)COc1ccc(C=O)cc1Br)N1CCOCC1 ZINC000173411936 644891379 /nfs/dbraw/zinc/89/13/79/644891379.db2.gz SVEMRRLUVBOJPS-GFCCVEGCSA-N 0 0 385.258 1.477 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C ZINC000173953643 644894934 /nfs/dbraw/zinc/89/49/34/644894934.db2.gz RMDFIGWCAYYELQ-CHWSQXEVSA-N 0 0 399.285 1.554 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)C(C)C ZINC000178856329 644927612 /nfs/dbraw/zinc/92/76/12/644927612.db2.gz XTYYKZGHDROEKO-GFCCVEGCSA-N 0 0 391.287 1.353 10 0 GDAERN CS(=O)(=O)CCN(C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000179050258 644930288 /nfs/dbraw/zinc/93/02/88/644930288.db2.gz GXVXISFIJYPWBU-AWEZNQCLSA-N 0 0 392.315 1.698 10 0 GDAERN CCN(CC(=O)OC(C)(C)C)C1CCN(CCS(=O)(=O)C(C)C)CC1 ZINC000190355099 645018767 /nfs/dbraw/zinc/01/87/67/645018767.db2.gz ILILDLWWIXKNCX-UHFFFAOYSA-N 0 0 376.563 1.938 10 0 GDAERN O=S1(=O)CC[C@H]2CN(C[C@H](O)COc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000329197563 645302209 /nfs/dbraw/zinc/30/22/09/645302209.db2.gz VHYPVMALWGEDOI-ITDIGPHOSA-N 0 0 380.293 1.852 10 0 GDAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(I)c(Cl)c1 ZINC000600588915 652546451 /nfs/dbraw/zinc/54/64/51/652546451.db2.gz GDAJKDNHJNWDKL-MNOVXSKESA-N 0 0 381.597 1.824 10 0 GDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccc(I)c(O)c1 ZINC000601732191 652600515 /nfs/dbraw/zinc/60/05/15/652600515.db2.gz ASSIQMJDWZIMBU-NSHDSACASA-N 0 0 390.221 1.399 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000702765384 654832806 /nfs/dbraw/zinc/83/28/06/654832806.db2.gz KVPUIKNACOBPJN-BXUZGUMPSA-N 0 0 390.889 1.846 10 0 GDAERN CC1CCC(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702793797 654832940 /nfs/dbraw/zinc/83/29/40/654832940.db2.gz ZUYFZISNEPVCTM-JYVUQVBGSA-N 0 0 376.519 1.712 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCN(C[C@@H](C)O)[C@H](C)C2)n1 ZINC000892354852 658320969 /nfs/dbraw/zinc/32/09/69/658320969.db2.gz JTHGHSNPCRXKNC-GHMZBOCLSA-N 0 0 387.278 1.307 10 0 GDAERN O=C(c1c[nH]nc1I)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000897017300 658819239 /nfs/dbraw/zinc/81/92/39/658819239.db2.gz FGTFBMNKPFWOSO-ZANVPECISA-N 0 0 375.210 1.782 10 0 GDAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1c[nH]nc1I ZINC000897471725 658855523 /nfs/dbraw/zinc/85/55/23/658855523.db2.gz CFXJCTWYWYIXOX-VIFPVBQESA-N 0 0 385.209 1.545 10 0 GDAERN C[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)[C@H]1CCCO1 ZINC000900188080 659090092 /nfs/dbraw/zinc/09/00/92/659090092.db2.gz QSGSLJMUIXTPSU-RNFRBKRXSA-N 0 0 382.056 1.487 10 0 GDAERN CS(=O)(=O)Nc1ccc(CNC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)cc1 ZINC000900223427 659093183 /nfs/dbraw/zinc/09/31/83/659093183.db2.gz SGADJGYJFKQJNG-AGUYFDCRSA-N 0 0 382.507 1.633 10 0 GDAERN NS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(C(=O)[O-])c1 ZINC000716190906 977814705 /nfs/dbraw/zinc/81/47/05/977814705.db2.gz YBEUQAFZHSMOKO-CQSZACIVSA-N 0 0 375.450 1.719 10 0 GDAERN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000158507326 530533196 /nfs/dbraw/zinc/53/31/96/530533196.db2.gz IDQRNJUCPKAFMB-OLZOCXBDSA-N 0 0 380.388 1.561 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000166880791 530583776 /nfs/dbraw/zinc/58/37/76/530583776.db2.gz BMUKVXBISYSKIO-LBPRGKRZSA-N 0 0 382.258 1.741 10 0 GDAERN C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CCCO1 ZINC000027862004 530589484 /nfs/dbraw/zinc/58/94/84/530589484.db2.gz HNNAHGPWLOPJMS-PRHODGIISA-N 0 0 377.260 1.394 10 0 GDAERN Cc1cnn([C@H]2CCCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C2)c1 ZINC000171898255 530605034 /nfs/dbraw/zinc/60/50/34/530605034.db2.gz TVLRLEMXOAXFAM-LBPRGKRZSA-N 0 0 383.499 1.447 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000172172645 530609084 /nfs/dbraw/zinc/60/90/84/530609084.db2.gz DYAGQJPWPDMPAN-LLVKDONJSA-N 0 0 383.499 1.089 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3ccccc3I)CCO2)[nH]1 ZINC000173091898 530623243 /nfs/dbraw/zinc/62/32/43/530623243.db2.gz ZMAWWXNMCYQJRQ-LBPRGKRZSA-N 0 0 398.204 1.931 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000173222094 530625956 /nfs/dbraw/zinc/62/59/56/530625956.db2.gz QRSHTXAGQFBNPF-NPMABZOXSA-N 0 0 376.475 1.706 10 0 GDAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000042852050 530631753 /nfs/dbraw/zinc/63/17/53/530631753.db2.gz FIJCYKSOJBMYFQ-WDEREUQCSA-N 0 0 377.388 1.721 10 0 GDAERN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000173830231 530638244 /nfs/dbraw/zinc/63/82/44/530638244.db2.gz HVPORPOQWDBTNB-QWHCGFSZSA-N 0 0 390.502 1.477 10 0 GDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3ccc(Br)cc3)CCO2)[nH]1 ZINC000174097716 530643132 /nfs/dbraw/zinc/64/31/32/530643132.db2.gz BELLZSDGCRYTHU-DZGCQCFKSA-N 0 0 397.273 1.689 10 0 GDAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172743282 530617311 /nfs/dbraw/zinc/61/73/11/530617311.db2.gz DAJKNWHDVRPWLN-ZDUSSCGKSA-N 0 0 397.269 1.767 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c(Br)c1 ZINC000040432393 530619739 /nfs/dbraw/zinc/61/97/39/530619739.db2.gz DXUKHAUAHDLCLW-GFCCVEGCSA-N 0 0 375.288 1.999 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000174905543 530655980 /nfs/dbraw/zinc/65/59/80/530655980.db2.gz CTUWKMCZORUEIF-SECBINFHSA-N 0 0 392.200 1.113 10 0 GDAERN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000175398354 530664739 /nfs/dbraw/zinc/66/47/39/530664739.db2.gz WLVLTOTXIDGUDV-GFCCVEGCSA-N 0 0 394.946 1.848 10 0 GDAERN COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000176749639 530689985 /nfs/dbraw/zinc/68/99/85/530689985.db2.gz GNIGOJKKZWYDAJ-JTQLQIEISA-N 0 0 387.259 1.863 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2sccc2Br)C[C@@H]1N1CCOCC1 ZINC000176991250 530695318 /nfs/dbraw/zinc/69/53/18/530695318.db2.gz CTRGARUHRQRETG-JQWIXIFHSA-N 0 0 395.344 1.852 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000177607176 530705917 /nfs/dbraw/zinc/70/59/17/530705917.db2.gz ZZIHMDWFORVOLU-QWHCGFSZSA-N 0 0 398.301 1.610 10 0 GDAERN O=C(NCc1cc(F)cc(Br)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178143587 530716597 /nfs/dbraw/zinc/71/65/97/530716597.db2.gz LWRSKKBMGXURKL-JTQLQIEISA-N 0 0 381.205 1.981 10 0 GDAERN COc1ccsc1S(=O)(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178696450 530726270 /nfs/dbraw/zinc/72/62/70/530726270.db2.gz BODIOVQDSULOQF-HNNXBMFYSA-N 0 0 382.507 1.797 10 0 GDAERN CC(C)[C@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000178865822 530729146 /nfs/dbraw/zinc/72/91/46/530729146.db2.gz UIWZWDKWWPSRNK-OAHLLOKOSA-N 0 0 392.880 1.719 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCC(n3cncn3)CC2)c(Br)n1 ZINC000179841503 530751183 /nfs/dbraw/zinc/75/11/83/530751183.db2.gz VGBIMTGCUSHUMB-UHFFFAOYSA-N 0 0 393.245 1.546 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1OC)C(C)C ZINC000180183624 530759951 /nfs/dbraw/zinc/75/99/51/530759951.db2.gz DCLZIZSPYLSAGL-GFCCVEGCSA-N 0 0 397.266 1.646 10 0 GDAERN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180199028 530760334 /nfs/dbraw/zinc/76/03/34/530760334.db2.gz MGYVNUKHAIJHBH-CQSZACIVSA-N 0 0 393.241 1.270 10 0 GDAERN C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)C[C@H](C)O1 ZINC000067125100 530773257 /nfs/dbraw/zinc/77/32/57/530773257.db2.gz PIASEXNMHMHTKT-RYUDHWBXSA-N 0 0 390.552 1.735 10 0 GDAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H](C)C2 ZINC000181106407 530778590 /nfs/dbraw/zinc/77/85/90/530778590.db2.gz CCFWERVGFMYENQ-MEBBXXQBSA-N 0 0 392.253 1.657 10 0 GDAERN CCOc1ccc(S(=O)(=O)N2CCN(Cc3cnc(C)s3)CC2)cn1 ZINC000181280607 530780751 /nfs/dbraw/zinc/78/07/51/530780751.db2.gz BIQCFSZHMOAEEZ-UHFFFAOYSA-N 0 0 382.511 1.752 10 0 GDAERN CC(C)c1n[nH]c(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c1Br ZINC000181321335 530781845 /nfs/dbraw/zinc/78/18/45/530781845.db2.gz FTNKPGLIEQXLAP-NSHDSACASA-N 0 0 381.278 1.816 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ccc(I)cc2)cn1 ZINC000181418752 530782674 /nfs/dbraw/zinc/78/26/74/530782674.db2.gz HKCJALFUZAWFAK-AWEZNQCLSA-N 0 0 396.232 1.811 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@@H]1C ZINC000182678844 530802893 /nfs/dbraw/zinc/80/28/93/530802893.db2.gz NTYIYWDKLKWAHI-ZDUSSCGKSA-N 0 0 378.441 1.672 10 0 GDAERN O=C(CCc1cc(F)ccc1Br)NC[C@H](O)CN1CCOCC1 ZINC000182094062 530794374 /nfs/dbraw/zinc/79/43/74/530794374.db2.gz MQPGQQMOJBCPSL-AWEZNQCLSA-N 0 0 389.265 1.330 10 0 GDAERN Cn1cc(CCCNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cn1 ZINC000102661900 530828947 /nfs/dbraw/zinc/82/89/47/530828947.db2.gz YNTPMAFEGQAGAR-UHFFFAOYSA-N 0 0 391.902 1.388 10 0 GDAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CCO1 ZINC000103310713 530834128 /nfs/dbraw/zinc/83/41/28/530834128.db2.gz YJECNAAIMPCJBG-FZMZJTMJSA-N 0 0 385.258 1.964 10 0 GDAERN C[C@H](C[S@@](C)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000185052893 530835785 /nfs/dbraw/zinc/83/57/85/530835785.db2.gz OSIMNXMYJYQJFR-FTTUWVIBSA-N 0 0 378.519 1.972 10 0 GDAERN Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093884249 530813723 /nfs/dbraw/zinc/81/37/23/530813723.db2.gz DWHVCBLSDOJCKK-GJZGRUSLSA-N 0 0 377.242 1.772 10 0 GDAERN Cc1noc(CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)n1 ZINC000101617828 530825696 /nfs/dbraw/zinc/82/56/96/530825696.db2.gz HVRAJSVUOWLQMO-UHFFFAOYSA-N 0 0 383.202 1.911 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185127928 530836849 /nfs/dbraw/zinc/83/68/49/530836849.db2.gz LJQDANSOTKJFPP-WBVHZDCISA-N 0 0 388.917 1.868 10 0 GDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1ccccc1Br ZINC000106191498 530846680 /nfs/dbraw/zinc/84/66/80/530846680.db2.gz KGGCOYWKYVBPPZ-CYBMUJFWSA-N 0 0 379.258 1.985 10 0 GDAERN O=S(=O)(N[C@H]1CCCC[C@H]1O)c1cc(Br)cc2c1OCC2 ZINC000186038244 530850205 /nfs/dbraw/zinc/85/02/05/530850205.db2.gz DPNJPDCTJDZPBV-NWDGAFQWSA-N 0 0 376.272 1.966 10 0 GDAERN O=C(c1c[nH]c2ccccc12)N1CSC[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000108271562 530856169 /nfs/dbraw/zinc/85/61/69/530856169.db2.gz FUNFQPBQKPSYKB-OAHLLOKOSA-N 0 0 377.491 1.274 10 0 GDAERN O=C1CNC(=O)N1CCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000187548397 530874818 /nfs/dbraw/zinc/87/48/18/530874818.db2.gz ZJOGGSKZKDMQDP-OAHLLOKOSA-N 0 0 390.241 1.470 10 0 GDAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187553697 530874939 /nfs/dbraw/zinc/87/49/39/530874939.db2.gz JBXUUAJNOCGRPL-ZFWWWQNUSA-N 0 0 380.491 1.552 10 0 GDAERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)C2)c1 ZINC000109686864 530864000 /nfs/dbraw/zinc/86/40/00/530864000.db2.gz QXKGDKLQJWWAQA-LBPRGKRZSA-N 0 0 382.873 1.970 10 0 GDAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000187212199 530868923 /nfs/dbraw/zinc/86/89/23/530868923.db2.gz XVUHKNYRWCSASJ-VIFPVBQESA-N 0 0 396.220 1.558 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)s1 ZINC000110942798 530871190 /nfs/dbraw/zinc/87/11/90/530871190.db2.gz UUFJMFWBKGTKHO-YOEHRIQHSA-N 0 0 380.539 1.550 10 0 GDAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111084040 530872377 /nfs/dbraw/zinc/87/23/77/530872377.db2.gz JKUBTMVBRDFPEG-CQSZACIVSA-N 0 0 383.857 1.238 10 0 GDAERN CN1CCO[C@H](CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000104798241 530840919 /nfs/dbraw/zinc/84/09/19/530840919.db2.gz WECGAJLDAMGSRF-CJNGLKHVSA-N 0 0 398.301 1.863 10 0 GDAERN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CCNC(=O)CC1 ZINC000105243485 530842457 /nfs/dbraw/zinc/84/24/57/530842457.db2.gz LLHVWOQMQBRTPF-ZDUSSCGKSA-N 0 0 381.274 1.559 10 0 GDAERN O=C(c1ccc(I)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000105569797 530843035 /nfs/dbraw/zinc/84/30/35/530843035.db2.gz WDWSRYAWTCWKSJ-CQSZACIVSA-N 0 0 386.233 1.838 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000115164435 530898099 /nfs/dbraw/zinc/89/80/99/530898099.db2.gz ADKJOEUFMWKVCR-OAHLLOKOSA-N 0 0 396.285 1.158 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000188888914 530903564 /nfs/dbraw/zinc/90/35/64/530903564.db2.gz HIIDCLQQWMNZDS-MRVPVSSYSA-N 0 0 376.169 1.781 10 0 GDAERN Cc1cc(N2CCN(S(=O)(=O)c3c(Cl)nc4ccccn43)CC2)n[nH]1 ZINC000189173498 530909191 /nfs/dbraw/zinc/90/91/91/530909191.db2.gz TZLKWXJWLQCXHD-UHFFFAOYSA-N 0 0 380.861 1.530 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1CC ZINC000116899215 530909476 /nfs/dbraw/zinc/90/94/76/530909476.db2.gz XQECNKNQPKUDGW-OAHLLOKOSA-N 0 0 375.922 1.998 10 0 GDAERN O=C1CN(S(=O)(=O)c2cnn(CC(F)F)c2)CCN1c1cccs1 ZINC000187783214 530878324 /nfs/dbraw/zinc/87/83/24/530878324.db2.gz SYBLFGSTPVDFKF-UHFFFAOYSA-N 0 0 376.410 1.247 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C1)C1CC1 ZINC000187933755 530880941 /nfs/dbraw/zinc/88/09/41/530880941.db2.gz RJXJQDFPPNVMIN-UHFFFAOYSA-N 0 0 394.678 1.397 10 0 GDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(I)c(F)c1 ZINC000112654630 530883148 /nfs/dbraw/zinc/88/31/48/530883148.db2.gz SMJCVCSOPDSBFY-VIFPVBQESA-N 0 0 386.168 1.767 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000188074210 530884428 /nfs/dbraw/zinc/88/44/28/530884428.db2.gz IXLIPDVVNGODCS-VXGBXAGGSA-N 0 0 394.269 1.539 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)sc1Cl ZINC000188116395 530885917 /nfs/dbraw/zinc/88/59/17/530885917.db2.gz PSKFTKYWOGHKGO-NSHDSACASA-N 0 0 398.959 1.899 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)C1 ZINC000188520112 530895300 /nfs/dbraw/zinc/89/53/00/530895300.db2.gz YRSSKZRZTYHIGB-NSHDSACASA-N 0 0 384.274 1.537 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2cccc(Br)c2)C1 ZINC000188520134 530895374 /nfs/dbraw/zinc/89/53/74/530895374.db2.gz YRSSKZRZTYHIGB-LLVKDONJSA-N 0 0 384.274 1.537 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc(C)c1Br ZINC000190597466 530933373 /nfs/dbraw/zinc/93/33/73/530933373.db2.gz UFBLNNOQXLECPR-NSHDSACASA-N 0 0 392.257 1.727 10 0 GDAERN CCc1cnc(NC(=O)C(=O)N2CCN(Cc3cnc(C)s3)CC2)s1 ZINC000190597155 530933402 /nfs/dbraw/zinc/93/34/02/530933402.db2.gz DAFTZNIBMZORQG-UHFFFAOYSA-N 0 0 379.511 1.753 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC1 ZINC000189461121 530913680 /nfs/dbraw/zinc/91/36/80/530913680.db2.gz XRRQCOAVOPUIID-SNVBAGLBSA-N 0 0 375.803 1.472 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118674085 530918067 /nfs/dbraw/zinc/91/80/67/530918067.db2.gz SAODVRIWYPYLAD-CYBMUJFWSA-N 0 0 392.257 1.186 10 0 GDAERN O=S(=O)(CCc1cccs1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000189742617 530919904 /nfs/dbraw/zinc/91/99/04/530919904.db2.gz AVBTYTYXTDQFJC-AWEZNQCLSA-N 0 0 378.541 1.120 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)cc(F)c1Br ZINC000190630741 530934417 /nfs/dbraw/zinc/93/44/17/530934417.db2.gz YAEJIIQKGMJRFO-JTQLQIEISA-N 0 0 394.216 1.542 10 0 GDAERN CN1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000189939907 530922612 /nfs/dbraw/zinc/92/26/12/530922612.db2.gz HOEYNFQWYIZOGP-UHFFFAOYSA-N 0 0 397.273 1.651 10 0 GDAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000119226414 530923541 /nfs/dbraw/zinc/92/35/41/530923541.db2.gz WBMVFGIDDIJUDL-MEBBXXQBSA-N 0 0 396.264 1.873 10 0 GDAERN C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)N1CCOCC1 ZINC000190308815 530928174 /nfs/dbraw/zinc/92/81/74/530928174.db2.gz HRBUVPYHNIGAFB-VIFPVBQESA-N 0 0 378.231 1.908 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1=O ZINC000191043797 530942455 /nfs/dbraw/zinc/94/24/55/530942455.db2.gz QGXWHUDVOPETLY-UHFFFAOYSA-N 0 0 377.750 1.988 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000193066255 530978807 /nfs/dbraw/zinc/97/88/07/530978807.db2.gz NIRPUNPIFUBOQL-JTQLQIEISA-N 0 0 388.881 1.399 10 0 GDAERN C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1cccc(Br)c1 ZINC000193334458 530984015 /nfs/dbraw/zinc/98/40/15/530984015.db2.gz GBQDYXYTUSSMBA-CYBMUJFWSA-N 0 0 397.317 1.973 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000192430211 530967897 /nfs/dbraw/zinc/96/78/97/530967897.db2.gz GQUXQLZAJJUTAY-SECBINFHSA-N 0 0 398.286 1.873 10 0 GDAERN CN(C[C@@H](O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000194031296 530998236 /nfs/dbraw/zinc/99/82/36/530998236.db2.gz JQXNIVCLNVBYPZ-CHWSQXEVSA-N 0 0 378.288 1.308 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1cccc(Br)c1 ZINC000123637700 530986572 /nfs/dbraw/zinc/98/65/72/530986572.db2.gz DEBIUJBAPKMCSG-CYBMUJFWSA-N 0 0 375.288 1.591 10 0 GDAERN Cc1cnc(NC(=O)C(=O)N2CCCN(Cc3csc(C)n3)CC2)s1 ZINC000123747953 530987013 /nfs/dbraw/zinc/98/70/13/530987013.db2.gz TVQVYJVKXBTBMJ-UHFFFAOYSA-N 0 0 379.511 1.889 10 0 GDAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCO2)cn1 ZINC000194809589 531010755 /nfs/dbraw/zinc/01/07/55/531010755.db2.gz GZEJSLWKJOERLV-CYBMUJFWSA-N 0 0 379.467 1.670 10 0 GDAERN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCN2CCCC[C@H]2C1 ZINC000195066230 531013894 /nfs/dbraw/zinc/01/38/94/531013894.db2.gz YCFXOPZSCBLAIM-AWEZNQCLSA-N 0 0 378.523 1.686 10 0 GDAERN Cc1csc([C@@H]2CN(CC(=O)NC(=O)NCc3cccs3)CCO2)n1 ZINC000195389302 531021907 /nfs/dbraw/zinc/02/19/07/531021907.db2.gz KYSZGYSHDLOFHP-ZDUSSCGKSA-N 0 0 380.495 1.912 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@H]1N1CCOCC1 ZINC000246202460 531064435 /nfs/dbraw/zinc/06/44/35/531064435.db2.gz LXUUSLYMYMFAGT-WCQYABFASA-N 0 0 384.889 1.558 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1Br ZINC000246218563 531065234 /nfs/dbraw/zinc/06/52/34/531065234.db2.gz UMNSNUSYAFVRAJ-QWHCGFSZSA-N 0 0 391.331 1.833 10 0 GDAERN CN1CCO[C@@H](CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000245386234 531057007 /nfs/dbraw/zinc/05/70/07/531057007.db2.gz LJRSYKDSKAIGPU-QWHCGFSZSA-N 0 0 386.279 1.793 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)sc1Br ZINC000245528646 531057486 /nfs/dbraw/zinc/05/74/86/531057486.db2.gz FFBNLJPOFPCSIC-DTWKUNHWSA-N 0 0 398.348 1.290 10 0 GDAERN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(S(C)(=O)=O)cs2)C[C@H](C)O1 ZINC000245565570 531058535 /nfs/dbraw/zinc/05/85/35/531058535.db2.gz DRNIVOWPVLOCHO-HZSPNIEDSA-N 0 0 386.539 1.865 10 0 GDAERN C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245637491 531059087 /nfs/dbraw/zinc/05/90/87/531059087.db2.gz JSVFFHBFGZMPKY-OSQNNJELSA-N 0 0 390.864 1.548 10 0 GDAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(Cl)s1 ZINC000245623577 531059392 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GDAERN Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1Br ZINC000248646467 531081002 /nfs/dbraw/zinc/08/10/02/531081002.db2.gz HMROLATUURGFEV-OLZOCXBDSA-N 0 0 391.331 1.833 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000132727024 531083810 /nfs/dbraw/zinc/08/38/10/531083810.db2.gz GLMRHDWNAPTDDM-XHSDSOJGSA-N 0 0 383.286 1.362 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2c(cccc2Br)[nH]1 ZINC000132943763 531085606 /nfs/dbraw/zinc/08/56/06/531085606.db2.gz NDZDVXRNVJZVDO-LLVKDONJSA-N 0 0 382.258 1.353 10 0 GDAERN CN(C[C@H]1CCCN1c1cccnn1)c1cnn(C)c(=O)c1Br ZINC000261479108 531093429 /nfs/dbraw/zinc/09/34/29/531093429.db2.gz TVNCNCKOIBBHAP-LLVKDONJSA-N 0 0 379.262 1.438 10 0 GDAERN CC(C)C(=O)CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000133677772 531094425 /nfs/dbraw/zinc/09/44/25/531094425.db2.gz YAMYYHFCJZGJIS-UHFFFAOYSA-N 0 0 389.271 1.837 10 0 GDAERN C[C@H](CNC(=O)NCCOc1ncc(Cl)cc1Cl)N1CCOCC1 ZINC000134635559 531101745 /nfs/dbraw/zinc/10/17/45/531101745.db2.gz 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/nfs/dbraw/zinc/28/59/46/205285946.db2.gz LIGANPVLXSCJOC-UHFFFAOYSA-N 0 0 395.448 1.792 10 0 GDAERN C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)N1CCOCC1 ZINC000065077700 206106544 /nfs/dbraw/zinc/10/65/44/206106544.db2.gz UGRXOZOSLVGPDF-LBPRGKRZSA-N 0 0 398.506 1.390 10 0 GDAERN O=C(NCCCN1CCOCC1)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065226990 136160427 /nfs/dbraw/zinc/16/04/27/136160427.db2.gz KIFRJGUBKSQABS-INIZCTEOSA-N 0 0 384.484 1.080 10 0 GDAERN CCCc1cc(N2CCN(C(=O)c3cccn3C)CC2)nc2nnc(CC)n21 ZINC000065312110 136163402 /nfs/dbraw/zinc/16/34/02/136163402.db2.gz UKEYGMFBRVDIHU-UHFFFAOYSA-N 0 0 381.484 1.940 10 0 GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccn3)nc(-c3ccncc3)n2)CC1 ZINC000073685590 527611585 /nfs/dbraw/zinc/61/15/85/527611585.db2.gz IRQXXYZKCZLZFE-UHFFFAOYSA-N 0 0 376.420 1.807 10 0 GDAERN CCn1c2ccccc2nc(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)c1=O ZINC000064926615 536005977 /nfs/dbraw/zinc/00/59/77/536005977.db2.gz KCBMLVLVPXSUPN-INIZCTEOSA-N 0 0 383.496 1.407 10 0 GDAERN 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/nfs/dbraw/zinc/80/18/51/570801851.db2.gz BMUUPIISSMFPOO-UHFFFAOYSA-N 0 0 389.264 1.311 10 0 GDAERN CS(=O)(=O)c1cnn(-c2cc(F)c(I)cc2N)c1 ZINC000725251527 571095727 /nfs/dbraw/zinc/09/57/27/571095727.db2.gz JXQXEYKUOQVIPZ-UHFFFAOYSA-N 0 0 381.170 1.602 10 0 GDAERN CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC[C@]12C(=O)N(CC(=O)[O-])CN2c1ccccc1 ZINC000095944445 571095761 /nfs/dbraw/zinc/09/57/61/571095761.db2.gz XSQWJDLNKZFXIM-MGPUTAFESA-N 0 0 389.452 1.067 10 0 GDAERN CN1CCO[C@@H]2CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)C[C@@H]21 ZINC000565377455 650794230 /nfs/dbraw/zinc/79/42/30/650794230.db2.gz GQXIUMSQTQVKBA-UONOGXRCSA-N 0 0 389.283 1.882 10 0 GDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000132208005 644748897 /nfs/dbraw/zinc/74/88/97/644748897.db2.gz HDMQIRJYWCXVAS-OAHLLOKOSA-N 0 0 383.587 1.713 10 0 GDAERN CCOc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1CO ZINC000168676428 644867645 /nfs/dbraw/zinc/86/76/45/644867645.db2.gz JNROOASDULFXKU-NSHDSACASA-N 0 0 380.260 1.230 10 0 GDAERN C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1cccc(Br)c1 ZINC000174898575 644901372 /nfs/dbraw/zinc/90/13/72/644901372.db2.gz SIFDQFMMJWWQFO-NSHDSACASA-N 0 0 393.303 1.871 10 0 GDAERN O=S(=O)(CCOc1ccccc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000223496480 645074274 /nfs/dbraw/zinc/07/42/74/645074274.db2.gz CWYOVBCTCBVKNC-UHFFFAOYSA-N 0 0 376.360 1.521 10 0 GDAERN C[C@@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cc(Br)cn1 ZINC000223484874 645074386 /nfs/dbraw/zinc/07/43/86/645074386.db2.gz KAENXFMDGOCKHF-ZETCQYMHSA-N 0 0 393.167 1.859 10 0 GDAERN C[C@](O)(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)CN1CCOCC1 ZINC000301452953 645236378 /nfs/dbraw/zinc/23/63/78/645236378.db2.gz YAUUJHDBSPIGDS-AWEZNQCLSA-N 0 0 382.404 1.475 10 0 GDAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000328751726 645277035 /nfs/dbraw/zinc/27/70/35/645277035.db2.gz RDCNHXCHZHGRRU-IHRRRGAJSA-N 0 0 377.507 1.496 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCC[C@H](Cn2cncn2)C1 ZINC000329657965 645319550 /nfs/dbraw/zinc/31/95/50/645319550.db2.gz HANUARBLQTXNCK-JTQLQIEISA-N 0 0 391.233 1.031 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000368826071 645626811 /nfs/dbraw/zinc/62/68/11/645626811.db2.gz ZMWKKLWTKREZKS-UONOGXRCSA-N 0 0 385.511 1.028 10 0 GDAERN Cc1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)s1 ZINC000702764556 654832743 /nfs/dbraw/zinc/83/27/43/654832743.db2.gz KPAZEZXYCAEMIP-CHWSQXEVSA-N 0 0 390.527 1.871 10 0 GDAERN COC(=O)c1ccc(Br)cc1NC(=O)COC1CN(C(C)=O)C1 ZINC000891295725 658215741 /nfs/dbraw/zinc/21/57/41/658215741.db2.gz FDMDKUCMVDPCNC-UHFFFAOYSA-N 0 0 385.214 1.422 10 0 GDAERN Cc1[nH]nc(I)c1C(=O)N(C)C[C@@H]1CCn2ccnc2C1 ZINC000897473051 658855786 /nfs/dbraw/zinc/85/57/86/658855786.db2.gz QKQKKISPPXHQEO-SNVBAGLBSA-N 0 0 399.236 1.854 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)cn1 ZINC000900735878 659142014 /nfs/dbraw/zinc/14/20/14/659142014.db2.gz OLDWSEOCOWHLPZ-GFCCVEGCSA-N 0 0 380.495 1.176 10 0 GDAERN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@H]2CO)c1 ZINC000912419587 660036276 /nfs/dbraw/zinc/03/62/76/660036276.db2.gz FFENQWBQFADDGV-LLVKDONJSA-N 0 0 390.889 1.250 10 0 GDAERN O=C([O-])c1ncsc1S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000705963000 977304736 /nfs/dbraw/zinc/30/47/36/977304736.db2.gz ORXBHDJBLLKTMS-OKILXGFUSA-N 0 0 393.490 1.594 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1)C1CC1 ZINC000717975985 977926263 /nfs/dbraw/zinc/92/62/63/977926263.db2.gz GFDJCHFLWZDLML-FGTMMUONSA-N 0 0 375.469 1.374 10 0 GDAERN O=C([O-])CC1CC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000718040858 977932835 /nfs/dbraw/zinc/93/28/35/977932835.db2.gz IEIHQVMKWYZYTA-ABHNRTSZSA-N 0 0 375.469 1.830 10 0 GDAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C[C@H](O)C(C)C)s1 ZINC000159014913 530539379 /nfs/dbraw/zinc/53/93/79/530539379.db2.gz SGLKZNRPNUUDQA-AWEZNQCLSA-N 0 0 376.544 1.844 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)ccc1Br ZINC000160645087 530554039 /nfs/dbraw/zinc/55/40/39/530554039.db2.gz UJIFZXGLTMDUMI-JTQLQIEISA-N 0 0 392.047 1.538 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000162499686 530568712 /nfs/dbraw/zinc/56/87/12/530568712.db2.gz RKCIRYBELBKCHJ-NSHDSACASA-N 0 0 379.218 1.238 10 0 GDAERN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3C[C@@H]3C)c2)CC1 ZINC000171058988 530592932 /nfs/dbraw/zinc/59/29/32/530592932.db2.gz JCDXUEMWPVUEGG-BLLLJJGKSA-N 0 0 385.917 1.804 10 0 GDAERN CN1CCO[C@@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000171581584 530601441 /nfs/dbraw/zinc/60/14/41/530601441.db2.gz WJDOQGZGTJHTIV-NSHDSACASA-N 0 0 375.256 1.562 10 0 GDAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000172010074 530606709 /nfs/dbraw/zinc/60/67/09/530606709.db2.gz KSMWWOUURLUFBN-QMTHXVAHSA-N 0 0 376.425 1.269 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Br ZINC000173351603 530628714 /nfs/dbraw/zinc/62/87/14/530628714.db2.gz VDTRSXYIECPCSJ-CQSZACIVSA-N 0 0 396.285 1.629 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCO2)[nH]1 ZINC000173735487 530635543 /nfs/dbraw/zinc/63/55/43/530635543.db2.gz BOHMRMMIUURBQN-GFCCVEGCSA-N 0 0 376.360 1.894 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@H]1N1CCOCC1 ZINC000173833898 530638257 /nfs/dbraw/zinc/63/82/57/530638257.db2.gz FCMQMHWPSGGALP-ZWNOBZJWSA-N 0 0 389.237 1.412 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3sccc3Br)CCO2)[nH]1 ZINC000173838123 530638340 /nfs/dbraw/zinc/63/83/40/530638340.db2.gz XQVJQZZJGUXDJI-VIFPVBQESA-N 0 0 393.288 1.699 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000174732562 530653664 /nfs/dbraw/zinc/65/36/64/530653664.db2.gz NSCVDQXPNYEQEI-NSHDSACASA-N 0 0 386.221 1.654 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000176991709 530695577 /nfs/dbraw/zinc/69/55/77/530695577.db2.gz PGRQICOYFJVMBL-WFASDCNBSA-N 0 0 389.315 1.790 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000177219357 530699382 /nfs/dbraw/zinc/69/93/82/530699382.db2.gz KKLBOUAWOQSKRU-OCCSQVGLSA-N 0 0 382.511 1.611 10 0 GDAERN C[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C[C@H](C(N)=O)O1 ZINC000177271444 530700427 /nfs/dbraw/zinc/70/04/27/530700427.db2.gz LJORMYVEOYBZFB-LDYMZIIASA-N 0 0 379.766 1.872 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177624858 530706820 /nfs/dbraw/zinc/70/68/20/530706820.db2.gz DZMAGOQJILNWAP-NSHDSACASA-N 0 0 378.230 1.419 10 0 GDAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177651450 530707895 /nfs/dbraw/zinc/70/78/95/530707895.db2.gz MXMLAMZCGULBMZ-CQSZACIVSA-N 0 0 393.241 1.512 10 0 GDAERN Cc1ccc([C@H](CNC(=O)CSc2n[nH]c(C)n2)N2CCOCC2)s1 ZINC000177973572 530714174 /nfs/dbraw/zinc/71/41/74/530714174.db2.gz SGECDCFWEYMAMD-ZDUSSCGKSA-N 0 0 381.527 1.765 10 0 GDAERN CNC(=O)[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(C)C ZINC000178856759 530729389 /nfs/dbraw/zinc/72/93/89/530729389.db2.gz LPWUMSNCRISPKW-BXUZGUMPSA-N 0 0 396.285 1.689 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Br)c(Cl)c1 ZINC000179927568 530753854 /nfs/dbraw/zinc/75/38/54/530753854.db2.gz QOZUPDHYIJCGFB-LLVKDONJSA-N 0 0 392.681 1.917 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)sc1Br ZINC000180211813 530760762 /nfs/dbraw/zinc/76/07/62/530760762.db2.gz HWMNBBWBAKIDNE-LURJTMIESA-N 0 0 398.076 1.599 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000180224462 530760974 /nfs/dbraw/zinc/76/09/74/530760974.db2.gz BXSJDVHIFKYEKR-LBPRGKRZSA-N 0 0 384.223 1.959 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181360480 530782317 /nfs/dbraw/zinc/78/23/17/530782317.db2.gz VODBTQWFYBITMX-NSHDSACASA-N 0 0 376.218 1.977 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ccncc2I)cn1 ZINC000181448293 530783776 /nfs/dbraw/zinc/78/37/76/530783776.db2.gz GJGPCBKLAZOTPO-ZDUSSCGKSA-N 0 0 397.220 1.206 10 0 GDAERN O=C(c1cccc(Br)n1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000182674514 530802572 /nfs/dbraw/zinc/80/25/72/530802572.db2.gz VQSUTBMHFCSSSY-UHFFFAOYSA-N 0 0 388.229 1.244 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cnc1Br ZINC000182817951 530805465 /nfs/dbraw/zinc/80/54/65/530805465.db2.gz PTTMBVFHMWRIGM-KGLIPLIRSA-N 0 0 390.237 1.866 10 0 GDAERN CC(=O)N1CC[C@@H](C(=O)Nc2ncc(F)cc2I)C1 ZINC000181882444 530792254 /nfs/dbraw/zinc/79/22/54/530792254.db2.gz FGSJHDKMIOAOCY-MRVPVSSYSA-N 0 0 377.157 1.632 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000182106534 530794856 /nfs/dbraw/zinc/79/48/56/530794856.db2.gz HPUNJCSMYVZWKF-SECBINFHSA-N 0 0 389.890 1.552 10 0 GDAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cn1 ZINC000184535956 530829362 /nfs/dbraw/zinc/82/93/62/530829362.db2.gz LIFGJXUGZYVVEG-CYBMUJFWSA-N 0 0 380.495 1.808 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1cccc(Br)c1 ZINC000182954610 530807607 /nfs/dbraw/zinc/80/76/07/530807607.db2.gz QCPXSUCVKBHVSY-JTQLQIEISA-N 0 0 378.226 1.964 10 0 GDAERN COc1cc(/C=C/C(=O)NC[C@@H]2CN(C)CCO2)cc(Br)c1O ZINC000183514026 530816125 /nfs/dbraw/zinc/81/61/25/530816125.db2.gz SYUOZTKKWYKRGX-AAOUONPWSA-N 0 0 385.258 1.623 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCC(F)(F)CO)cc1 ZINC000183926668 530821805 /nfs/dbraw/zinc/82/18/05/530821805.db2.gz MMFKCAZMRPCZHG-CQSZACIVSA-N 0 0 378.441 1.432 10 0 GDAERN CNC(=O)[C@@H]1CN(C(=O)c2c(C)cccc2I)CCO1 ZINC000183991222 530822709 /nfs/dbraw/zinc/82/27/09/530822709.db2.gz BFQGMHSTHSWVGU-NSHDSACASA-N 0 0 388.205 1.187 10 0 GDAERN CC(C)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000101568497 530824520 /nfs/dbraw/zinc/82/45/20/530824520.db2.gz ZWAODYPQKDPCAT-JTQLQIEISA-N 0 0 388.433 1.850 10 0 GDAERN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184092167 530824605 /nfs/dbraw/zinc/82/46/05/530824605.db2.gz FEGMMCVSPMDGJL-ZJUUUORDSA-N 0 0 375.372 1.380 10 0 GDAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000106111484 530846917 /nfs/dbraw/zinc/84/69/17/530846917.db2.gz SVQKERIHOAFWEX-ZDUSSCGKSA-N 0 0 385.306 1.825 10 0 GDAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1ccc(Br)cc1 ZINC000106193765 530847030 /nfs/dbraw/zinc/84/70/30/530847030.db2.gz YVSWDDDLPDCCOX-OAHLLOKOSA-N 0 0 379.258 1.985 10 0 GDAERN O=C(NC1CN(C[C@@H](O)COc2cccc(Br)c2)C1)C1CCC1 ZINC000185935462 530849038 /nfs/dbraw/zinc/84/90/38/530849038.db2.gz XEOBIEUXXRJIGL-OAHLLOKOSA-N 0 0 383.286 1.789 10 0 GDAERN O=C(NC1CN(C[C@H](O)COc2cccc(Br)c2)C1)C1CCC1 ZINC000185935477 530849130 /nfs/dbraw/zinc/84/91/30/530849130.db2.gz XEOBIEUXXRJIGL-HNNXBMFYSA-N 0 0 383.286 1.789 10 0 GDAERN O=C(C1CC2(C1)NC(=O)NC2=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000186213784 530852870 /nfs/dbraw/zinc/85/28/70/530852870.db2.gz XPBNRIOINXHDEA-UHFFFAOYSA-N 0 0 396.216 1.461 10 0 GDAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C3CC3)CC2)cc1Cl ZINC000104738658 530839173 /nfs/dbraw/zinc/83/91/73/530839173.db2.gz IOXZVLBNSIFCRK-UHFFFAOYSA-N 0 0 375.853 1.906 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116229686 530903329 /nfs/dbraw/zinc/90/33/29/530903329.db2.gz VAQVPJOGIIDKBR-NSHDSACASA-N 0 0 382.873 1.611 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000116370666 530904703 /nfs/dbraw/zinc/90/47/03/530904703.db2.gz FCOZVKVTNHROSR-ZDUSSCGKSA-N 0 0 382.511 1.338 10 0 GDAERN O=C(NC1CN(C(=O)c2c(F)cccc2I)C1)C1CC1 ZINC000189385455 530911651 /nfs/dbraw/zinc/91/16/51/530911651.db2.gz CPQOXLHNSGFWOI-UHFFFAOYSA-N 0 0 388.180 1.781 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2ncnc3c2c(Br)nn3C)C1 ZINC000189140004 530909286 /nfs/dbraw/zinc/90/92/86/530909286.db2.gz IIZAWFJAXMEEHQ-DTWKUNHWSA-N 0 0 394.233 1.784 10 0 GDAERN CC(C)CS(=O)(=O)CCC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307580 530880247 /nfs/dbraw/zinc/88/02/47/530880247.db2.gz QOQOTRNMEJFMPL-UHFFFAOYSA-N 0 0 386.539 1.884 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000112654544 530883470 /nfs/dbraw/zinc/88/34/70/530883470.db2.gz MTTJYNLXFFOGEC-SNVBAGLBSA-N 0 0 379.214 1.557 10 0 GDAERN O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000112746669 530884716 /nfs/dbraw/zinc/88/47/16/530884716.db2.gz IPBIMCILJKDCCT-GFCCVEGCSA-N 0 0 380.246 1.734 10 0 GDAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cs1 ZINC000188111144 530885833 /nfs/dbraw/zinc/88/58/33/530885833.db2.gz ORJZRJLVNAZOCG-HZMBPMFUSA-N 0 0 383.499 1.216 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000188126180 530886593 /nfs/dbraw/zinc/88/65/93/530886593.db2.gz CBOYSMBBXNGFAG-LBPRGKRZSA-N 0 0 378.230 1.939 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)cnc1N(C)C)CC2 ZINC000114867773 530896790 /nfs/dbraw/zinc/89/67/90/530896790.db2.gz JBEMBFQTPZXKND-LLVKDONJSA-N 0 0 393.289 1.809 10 0 GDAERN CC(=O)NC1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000190462845 530930121 /nfs/dbraw/zinc/93/01/21/530930121.db2.gz UDCMDELDSNEHCB-UHFFFAOYSA-N 0 0 386.221 1.055 10 0 GDAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(Br)cc1 ZINC000190451547 530930378 /nfs/dbraw/zinc/93/03/78/530930378.db2.gz WYPCATGTPWOOSP-HNNXBMFYSA-N 0 0 382.258 1.363 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1C ZINC000117369668 530912966 /nfs/dbraw/zinc/91/29/66/530912966.db2.gz YSMCZHDKWHLLAH-GFCCVEGCSA-N 0 0 377.304 1.790 10 0 GDAERN COCc1c(Br)cccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118133837 530916501 /nfs/dbraw/zinc/91/65/01/530916501.db2.gz KHPANRUGGIHMPA-UHFFFAOYSA-N 0 0 395.257 1.855 10 0 GDAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cs1 ZINC000189834056 530922017 /nfs/dbraw/zinc/92/20/17/530922017.db2.gz KERTULACQROJAD-HNNXBMFYSA-N 0 0 380.495 1.875 10 0 GDAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCc2ccc(Cl)s2)cn1 ZINC000190075166 530925452 /nfs/dbraw/zinc/92/54/52/530925452.db2.gz RZGQOEJKRVMHHJ-GFCCVEGCSA-N 0 0 388.902 1.816 10 0 GDAERN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000119566850 530928058 /nfs/dbraw/zinc/92/80/58/530928058.db2.gz OMMWJKLKULWWSX-INIZCTEOSA-N 0 0 384.454 1.829 10 0 GDAERN O=C(c1ccncc1I)N1CCC(n2cncn2)CC1 ZINC000119601511 530928314 /nfs/dbraw/zinc/92/83/14/530928314.db2.gz NEGHDDQUMJNNIE-UHFFFAOYSA-N 0 0 383.193 1.755 10 0 GDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000192119823 530962387 /nfs/dbraw/zinc/96/23/87/530962387.db2.gz KFCBVMWLGLHSDS-UHFFFAOYSA-N 0 0 395.305 1.491 10 0 GDAERN C[C@H](Cc1cccs1)NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000120402691 530940391 /nfs/dbraw/zinc/94/03/91/530940391.db2.gz JVRGMNDFNYCXCV-VXGBXAGGSA-N 0 0 377.491 1.923 10 0 GDAERN CCOc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1Br ZINC000190987064 530941163 /nfs/dbraw/zinc/94/11/63/530941163.db2.gz LTZCDYWHQGNFNQ-SNVBAGLBSA-N 0 0 391.287 1.747 10 0 GDAERN CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000120835514 530946296 /nfs/dbraw/zinc/94/62/96/530946296.db2.gz WTEGOUNVIHNVKA-GFCCVEGCSA-N 0 0 392.319 1.124 10 0 GDAERN CC(C)(C)OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000192930998 530976322 /nfs/dbraw/zinc/97/63/22/530976322.db2.gz MOYYQBNQCLQCPP-LBPRGKRZSA-N 0 0 396.962 1.884 10 0 GDAERN CC[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000123031615 530978910 /nfs/dbraw/zinc/97/89/10/530978910.db2.gz HRGOWMGMSUUDRJ-OAHLLOKOSA-N 0 0 391.331 1.916 10 0 GDAERN Cc1ccc([C@@H](CNS(=O)(=O)CC[C@H]2CCCO2)N2CCOCC2)s1 ZINC000123109639 530979666 /nfs/dbraw/zinc/97/96/66/530979666.db2.gz JDEAOUCIZHTYCJ-HZPDHXFCSA-N 0 0 388.555 1.918 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c(Cl)n1 ZINC000193942241 530996309 /nfs/dbraw/zinc/99/63/09/530996309.db2.gz BWNMJVCDZIDBJC-LBPRGKRZSA-N 0 0 380.857 1.631 10 0 GDAERN Cc1nc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)ccc1Br ZINC000193478888 530987828 /nfs/dbraw/zinc/98/78/28/530987828.db2.gz FOQABQGFFWHZAF-ZFWWWQNUSA-N 0 0 390.237 1.866 10 0 GDAERN O=C(NCCNS(=O)(=O)c1cccs1)N1CCC(c2cc[nH]n2)CC1 ZINC000125527460 531007477 /nfs/dbraw/zinc/00/74/77/531007477.db2.gz SQZAZAHPNZXTPR-UHFFFAOYSA-N 0 0 383.499 1.339 10 0 GDAERN CN1CCO[C@H](CNC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000194619899 531007811 /nfs/dbraw/zinc/00/78/11/531007811.db2.gz QZVSRXWWTPNFIK-CQSZACIVSA-N 0 0 381.889 1.460 10 0 GDAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126226549 531016509 /nfs/dbraw/zinc/01/65/09/531016509.db2.gz HFUZUWVZHUIFFZ-UHFFFAOYSA-N 0 0 382.511 1.747 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194272473 531002014 /nfs/dbraw/zinc/00/20/14/531002014.db2.gz OLVHMCOFPDYJAA-HOCLYGCPSA-N 0 0 383.286 1.668 10 0 GDAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1F ZINC000246023980 531062437 /nfs/dbraw/zinc/06/24/37/531062437.db2.gz OIGSYJRNLRIQNV-LBPRGKRZSA-N 0 0 376.475 1.088 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1Br ZINC000246075411 531063357 /nfs/dbraw/zinc/06/33/57/531063357.db2.gz FKNYPVWGLPCPML-QWHCGFSZSA-N 0 0 391.331 1.833 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246184897 531064570 /nfs/dbraw/zinc/06/45/70/531064570.db2.gz SROPVHXXSBSWRA-CYZMBNFOSA-N 0 0 380.242 1.856 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000246410430 531066724 /nfs/dbraw/zinc/06/67/24/531066724.db2.gz GUOLAKNDEVXOFN-UPCLLVRISA-N 0 0 386.539 1.587 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246477890 531067206 /nfs/dbraw/zinc/06/72/06/531067206.db2.gz LCULKTCHJZLLGC-ZWNOBZJWSA-N 0 0 380.297 1.730 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000246530741 531067383 /nfs/dbraw/zinc/06/73/83/531067383.db2.gz PGRQICOYFJVMBL-SWLSCSKDSA-N 0 0 389.315 1.790 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H](Cn2cncn2)C1 ZINC000131997105 531076749 /nfs/dbraw/zinc/07/67/49/531076749.db2.gz ZYQNBOFUJCDVMF-NSHDSACASA-N 0 0 396.245 1.302 10 0 GDAERN Cc1nc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cn1C ZINC000248345097 531078065 /nfs/dbraw/zinc/07/80/65/531078065.db2.gz MJQHZSWQSSTWMR-GXTWGEPZSA-N 0 0 384.527 1.530 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248598713 531080155 /nfs/dbraw/zinc/08/01/55/531080155.db2.gz ULOAWOUYCDCGAT-ZIAGYGMSSA-N 0 0 376.906 1.402 10 0 GDAERN C[C@H](c1nccs1)N1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000248645974 531080952 /nfs/dbraw/zinc/08/09/52/531080952.db2.gz OYZGIMQDYVLXIR-IIYDPXPESA-N 0 0 380.539 1.802 10 0 GDAERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C[C@@H](O)CN1CCOCC1 ZINC000252773912 531091002 /nfs/dbraw/zinc/09/10/02/531091002.db2.gz YVJUYKLGCYNJOI-FHLIZLRMSA-N 0 0 399.329 1.904 10 0 GDAERN Cn1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000246791748 531069427 /nfs/dbraw/zinc/06/94/27/531069427.db2.gz SFVOOVXOZZYLMC-OCCSQVGLSA-N 0 0 375.372 1.936 10 0 GDAERN CC(C)CS(=O)(=O)CC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246800526 531069478 /nfs/dbraw/zinc/06/94/78/531069478.db2.gz JTMPEJHQQBCJDI-HUUCEWRRSA-N 0 0 388.555 1.697 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000134991469 531105740 /nfs/dbraw/zinc/10/57/40/531105740.db2.gz FCYICDMLAUIKPQ-MRVPVSSYSA-N 0 0 397.316 1.345 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000151157178 531134426 /nfs/dbraw/zinc/13/44/26/531134426.db2.gz CDNNLGWCZSYPDY-JTQLQIEISA-N 0 0 383.499 1.417 10 0 GDAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000263441362 531144103 /nfs/dbraw/zinc/14/41/03/531144103.db2.gz PVANDTZBQYCFEG-UKRRQHHQSA-N 0 0 391.251 1.271 10 0 GDAERN O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@@H]1CN(C2CC2)CCO1 ZINC000153177719 531163764 /nfs/dbraw/zinc/16/37/64/531163764.db2.gz VQHUBSSGXHJNAD-CQSZACIVSA-N 0 0 378.416 1.988 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C[C@H]1C ZINC000153116295 531163149 /nfs/dbraw/zinc/16/31/49/531163149.db2.gz ZBBDCVRUUIWAIZ-CYBMUJFWSA-N 0 0 398.301 1.875 10 0 GDAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000157060736 531205994 /nfs/dbraw/zinc/20/59/94/531205994.db2.gz GDQZMCHTVJJJPG-LLVKDONJSA-N 0 0 395.261 1.408 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C[C@@H]21 ZINC000408021059 531211758 /nfs/dbraw/zinc/21/17/58/531211758.db2.gz GILRIOIKBVXOHD-GJZGRUSLSA-N 0 0 387.889 1.257 10 0 GDAERN CC(C)Cc1ncnc(N2CCCNC(=O)[C@H]2C)c1I ZINC000408108842 531219794 /nfs/dbraw/zinc/21/97/94/531219794.db2.gz BVLMQROBJOHGSD-SNVBAGLBSA-N 0 0 388.253 1.995 10 0 GDAERN O=C(c1ccc(Br)cc1Br)N1C[C@H](O)C[C@@H]1CO ZINC000408128519 531220474 /nfs/dbraw/zinc/22/04/74/531220474.db2.gz JSVBBJCUVJHCBH-RKDXNWHRSA-N 0 0 379.048 1.779 10 0 GDAERN C[C@H]1N(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CCC12CCOCC2 ZINC000408196786 531225029 /nfs/dbraw/zinc/22/50/29/531225029.db2.gz FPMZGQAZNUPOJK-GFCCVEGCSA-N 0 0 388.511 1.133 10 0 GDAERN CC(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCS1 ZINC000408246626 531229345 /nfs/dbraw/zinc/22/93/45/531229345.db2.gz NYEASLHIGGOICN-OAHLLOKOSA-N 0 0 387.527 1.249 10 0 GDAERN Cc1cc(I)ccc1NC(=O)N1CCOC[C@@H]1CO ZINC000408407955 531239389 /nfs/dbraw/zinc/23/93/89/531239389.db2.gz NCSLFZOVBBEVKO-NSHDSACASA-N 0 0 376.194 1.825 10 0 GDAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@H]2C1 ZINC000408460800 531243581 /nfs/dbraw/zinc/24/35/81/531243581.db2.gz RGXGEBZWLITORQ-WCQYABFASA-N 0 0 380.388 1.505 10 0 GDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2nc(-c3ccsc3)no2)cn1 ZINC000279375509 531428939 /nfs/dbraw/zinc/42/89/39/531428939.db2.gz XLYJGKNNADEKMN-ZDUSSCGKSA-N 0 0 379.467 1.503 10 0 GDAERN CCN1CCO[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000611000477 531521001 /nfs/dbraw/zinc/52/10/01/531521001.db2.gz WUHYXISRYGJTNJ-JTQLQIEISA-N 0 0 392.212 1.881 10 0 GDAERN CN(C)S(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000365472452 531653669 /nfs/dbraw/zinc/65/36/69/531653669.db2.gz LVXHGVAKIPSSPS-ZDUSSCGKSA-N 0 0 379.404 1.706 10 0 GDAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000270684365 531909208 /nfs/dbraw/zinc/90/92/08/531909208.db2.gz UBYMCRCGDKLSQV-WFASDCNBSA-N 0 0 387.889 1.533 10 0 GDAERN NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CCO1 ZINC000369203435 531949149 /nfs/dbraw/zinc/94/91/49/531949149.db2.gz LDYQULYIWCEMJM-GRDNDAEWSA-N 0 0 379.254 1.366 10 0 GDAERN CN1C(=O)N[C@@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000284465558 531961435 /nfs/dbraw/zinc/96/14/35/531961435.db2.gz AJUPUKANHQQRDW-OLZOCXBDSA-N 0 0 382.258 1.818 10 0 GDAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000284859332 531998849 /nfs/dbraw/zinc/99/88/49/531998849.db2.gz XXBQZPCTQPTJNN-SKDRFNHKSA-N 0 0 377.260 1.021 10 0 GDAERN CNc1nc(N2CCN(Cc3nc(COC)no3)CC2)ncc1Br ZINC000302514062 532049363 /nfs/dbraw/zinc/04/93/63/532049363.db2.gz GSORKYKRUBGUIM-UHFFFAOYSA-N 0 0 398.265 1.132 10 0 GDAERN Brc1cc(CN2CCO[C@@H](Cn3cncn3)C2)cc2c1OCO2 ZINC000329180012 532098206 /nfs/dbraw/zinc/09/82/06/532098206.db2.gz NRLXSXUAHKNJGG-GFCCVEGCSA-N 0 0 381.230 1.670 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330216769 532118145 /nfs/dbraw/zinc/11/81/45/532118145.db2.gz NJLAUKDBQHWWHY-BRWVUGGUSA-N 0 0 390.571 1.752 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000286192063 532135906 /nfs/dbraw/zinc/13/59/06/532135906.db2.gz IVNOMNNVOMQLGQ-KRWDZBQOSA-N 0 0 381.270 1.707 10 0 GDAERN Cc1c(Br)cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(=O)n1C ZINC000286384450 532146330 /nfs/dbraw/zinc/14/63/30/532146330.db2.gz QJFPDOVYCWAIEO-KCPJHIHWSA-N 0 0 399.285 1.458 10 0 GDAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000332821579 532210747 /nfs/dbraw/zinc/21/07/47/532210747.db2.gz NNCGSVOYQSQGCM-KGLIPLIRSA-N 0 0 384.263 1.993 10 0 GDAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000333109945 532220211 /nfs/dbraw/zinc/22/02/11/532220211.db2.gz DTTJXHRKCKTMMM-BSWAZPDLSA-N 0 0 384.523 1.589 10 0 GDAERN CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)[C@H]1C[C@@H]3CC[C@H]1C3)C2 ZINC000333123208 532220895 /nfs/dbraw/zinc/22/08/95/532220895.db2.gz GXHKBXVEYLOTTQ-IGCXYCKISA-N 0 0 384.523 1.471 10 0 GDAERN Cc1ccc([C@H](CNS(=O)(=O)[C@@H]2CCO[C@H](C)C2)N2CCOCC2)s1 ZINC000333462368 532236683 /nfs/dbraw/zinc/23/66/83/532236683.db2.gz UWCSXMSOOCZDMM-BMFZPTHFSA-N 0 0 388.555 1.917 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)c2cncc(Br)c2)n1 ZINC000275373964 532291199 /nfs/dbraw/zinc/29/11/99/532291199.db2.gz XWNMPXFHTYRHOB-MWLCHTKSSA-N 0 0 389.231 1.032 10 0 GDAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2noc3ccccc32)C1=O ZINC000328612557 203761385 /nfs/dbraw/zinc/76/13/85/203761385.db2.gz PCUZFLVNFRDTPJ-CYBMUJFWSA-N 0 0 389.437 1.176 10 0 GDAERN Cc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2cc3ccccc3n21 ZINC000006751112 204200136 /nfs/dbraw/zinc/20/01/36/204200136.db2.gz DBSCQLNYSMTTJI-UHFFFAOYSA-N 0 0 382.420 1.323 10 0 GDAERN CC(C)N1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012317047 204395919 /nfs/dbraw/zinc/39/59/19/204395919.db2.gz GFBCFULLDHPVJH-SFHVURJKSA-N 0 0 383.496 1.868 10 0 GDAERN CCOC(=O)Cn1cnc2c1c(=O)n(CC1CC1)c(=O)n2-c1ccc(F)cc1 ZINC000037558471 205028285 /nfs/dbraw/zinc/02/82/85/205028285.db2.gz ZRFHUMFCCINGLS-UHFFFAOYSA-N 0 0 386.383 1.461 10 0 GDAERN C[C@H](Sc1ncccn1)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000040157643 205060621 /nfs/dbraw/zinc/06/06/21/205060621.db2.gz NJDJDODNGSQXLY-HOTGVXAUSA-N 0 0 391.541 1.502 10 0 GDAERN CC1(C)c2cc(S(=O)(=O)N3CCCC3)ccc2N(CC(=O)NC2CC2)C1=O ZINC000045913105 205099315 /nfs/dbraw/zinc/09/93/15/205099315.db2.gz ISIGIYNWGRZBKQ-UHFFFAOYSA-N 0 0 391.493 1.374 10 0 GDAERN Cc1ccc(CN2CCN(CC(=O)Nc3ccc(Cl)cn3)C(=O)C2=O)cc1 ZINC000064888604 205199345 /nfs/dbraw/zinc/19/93/45/205199345.db2.gz OLBRLBOUOLGFRV-UHFFFAOYSA-N 0 0 386.839 1.853 10 0 GDAERN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]21 ZINC000077272951 205357922 /nfs/dbraw/zinc/35/79/22/205357922.db2.gz GBRJHLWAZWZRJM-OMZCGLGVSA-N 0 0 385.416 1.843 10 0 in-vitro GDAERN CC(=O)O[C@H]1[C@H](OC(C)=O)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O ZINC000095921447 205505178 /nfs/dbraw/zinc/50/51/78/205505178.db2.gz MMMFFJBLSNOZRA-BPCAWRKVSA-N 0 0 394.376 1.252 10 0 GDAERN COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2)CN(C)C(=O)C1 ZINC000225406181 206045774 /nfs/dbraw/zinc/04/57/74/206045774.db2.gz YAYGQBJOTCFOBB-NVXWUHKLSA-N 0 0 390.484 1.588 10 0 biogenic GDAERN CC(=O)Nc1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c(C(=O)[O-])c1 ZINC000064978877 136158397 /nfs/dbraw/zinc/15/83/97/136158397.db2.gz XDWIFZZOBZMKRQ-UHFFFAOYSA-N 0 0 376.457 1.677 10 0 GDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3c(Cl)nc4ccccn43)CCO2)o1 ZINC000275246808 522792457 /nfs/dbraw/zinc/79/24/57/522792457.db2.gz GEBAAVSAPYNHPG-JTQLQIEISA-N 0 0 397.844 1.695 10 0 GDAERN CCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2)=CC[C@]1(O)C(F)(F)F ZINC000032628984 570512466 /nfs/dbraw/zinc/51/24/66/570512466.db2.gz OGLJVQQDCNNOPR-INIZCTEOSA-N 0 0 386.326 1.347 10 0 GDAERN CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3c(Cl)nc4ccccn43)C2)n1 ZINC000328612345 570554742 /nfs/dbraw/zinc/55/47/42/570554742.db2.gz OLHYHUQMYKEZHI-OAHLLOKOSA-N 0 0 397.844 1.215 10 0 GDAERN c1cncc(CN2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)c1 ZINC000055282462 570690224 /nfs/dbraw/zinc/69/02/24/570690224.db2.gz ZKTREKFWFDCOCC-UHFFFAOYSA-N 0 0 398.496 1.283 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000189185632 570746415 /nfs/dbraw/zinc/74/64/15/570746415.db2.gz UWOSXJVCJSJVDX-WMLDXEAASA-N 0 0 392.481 1.911 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000189189668 570746842 /nfs/dbraw/zinc/74/68/42/570746842.db2.gz SWKQTWPSNLCART-WDEREUQCSA-N 0 0 397.844 1.830 10 0 GDAERN CN1CCNC(=O)[C@H]1CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000014966105 570867170 /nfs/dbraw/zinc/86/71/70/570867170.db2.gz DTQLLJCKRAJSPZ-MRXNPFEDSA-N 0 0 399.413 1.896 10 0 GDAERN Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cc12 ZINC000249426967 570894677 /nfs/dbraw/zinc/89/46/77/570894677.db2.gz FZCIHEZBLGANRE-XJKSGUPXSA-N 0 0 392.506 1.735 10 0 GDAERN CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091706971 571026838 /nfs/dbraw/zinc/02/68/38/571026838.db2.gz SYBPEWAQCKBITF-UHFFFAOYSA-N 0 0 387.484 1.160 10 0 GDAERN COC(=O)c1cn(CN2CCO[C@H](c3ccccc3Br)C2)nn1 ZINC000101537879 644596875 /nfs/dbraw/zinc/59/68/75/644596875.db2.gz ALMOJQLSKDCBNN-AWEZNQCLSA-N 0 0 381.230 1.858 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1C ZINC000117368904 644650525 /nfs/dbraw/zinc/65/05/25/644650525.db2.gz BJKQQZYGCIFNMD-ZDUSSCGKSA-N 0 0 386.905 1.719 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000118334702 644652765 /nfs/dbraw/zinc/65/27/65/644652765.db2.gz UAVFDOGTDSRQFI-ZDUSSCGKSA-N 0 0 388.917 1.662 10 0 GDAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H]1C ZINC000124980469 644711445 /nfs/dbraw/zinc/71/14/45/644711445.db2.gz WHDGFIQNVWBZGG-APPZFPTMSA-N 0 0 397.678 1.927 10 0 GDAERN O=C1c2cc(Br)ccc2N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000172962491 644886158 /nfs/dbraw/zinc/88/61/58/644886158.db2.gz OAUDJFWKYVTCRK-CYBMUJFWSA-N 0 0 394.269 1.342 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1C ZINC000246922062 645096410 /nfs/dbraw/zinc/09/64/10/645096410.db2.gz BJKQQZYGCIFNMD-CYBMUJFWSA-N 0 0 386.905 1.719 10 0 GDAERN CCO[C@H]1C[C@H](N(C)S(=O)(=O)C2CCS(=O)(=O)CC2)C12CCCC2 ZINC000329540598 645316042 /nfs/dbraw/zinc/31/60/42/645316042.db2.gz WSEZXCJXRKEBRH-GJZGRUSLSA-N 0 0 379.544 1.563 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2COc3ccc(Br)cc32)n1 ZINC000372408198 645813622 /nfs/dbraw/zinc/81/36/22/645813622.db2.gz GWCRVMKVEMKQAH-KGYLQXTDSA-N 0 0 394.225 1.951 10 0 GDAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@@H](F)C[C@H]3CO)s2)CC1 ZINC000372553114 645827694 /nfs/dbraw/zinc/82/76/94/645827694.db2.gz AFTFGOXBJLPLAB-STQMWFEESA-N 0 0 390.502 1.714 10 0 GDAERN O=S(=O)(c1cccc(I)c1)N1C[C@H](F)C[C@H]1CO ZINC000444274978 647248096 /nfs/dbraw/zinc/24/80/96/647248096.db2.gz AEEATQSWSGVABG-SCZZXKLOSA-N 0 0 385.198 1.385 10 0 GDAERN CCc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 ZINC000702767930 654832654 /nfs/dbraw/zinc/83/26/54/654832654.db2.gz PSXGHMKWLMUSKU-AAEUAGOBSA-N 0 0 390.527 1.817 10 0 GDAERN Cc1cc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(C)s1 ZINC000702764562 654832840 /nfs/dbraw/zinc/83/28/40/654832840.db2.gz KPAZEZXYCAEMIP-STQMWFEESA-N 0 0 390.527 1.871 10 0 GDAERN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 ZINC000702761662 654832853 /nfs/dbraw/zinc/83/28/53/654832853.db2.gz BWHPYVNREUEIAX-STQMWFEESA-N 0 0 390.527 1.871 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000892354854 658320727 /nfs/dbraw/zinc/32/07/27/658320727.db2.gz JTHGHSNPCRXKNC-MNOVXSKESA-N 0 0 387.278 1.307 10 0 GDAERN Cn1cc(CN[C@H]2CCO[C@@H]2c2ccnn2C)c(I)n1 ZINC000894730734 658601060 /nfs/dbraw/zinc/60/10/60/658601060.db2.gz DDIGXESXYMVZGO-JQWIXIFHSA-N 0 0 387.225 1.378 10 0 GDAERN CCc1nc(CCNC(=O)c2c(C)[nH]nc2I)no1 ZINC000896190131 658755938 /nfs/dbraw/zinc/75/59/38/658755938.db2.gz UUTOFBOTUQDNMU-UHFFFAOYSA-N 0 0 375.170 1.241 10 0 GDAERN O=C(c1c[nH]nc1I)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000897017299 658819254 /nfs/dbraw/zinc/81/92/54/658819254.db2.gz FGTFBMNKPFWOSO-TVQRCGJNSA-N 0 0 375.210 1.782 10 0 GDAERN O=C(Cc1ccccc1I)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909169926 659941321 /nfs/dbraw/zinc/94/13/21/659941321.db2.gz ZXYWLQMFGLKLLO-IPYPFGDCSA-N 0 0 397.216 1.521 10 0 GDAERN C[C@]1(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000715539901 977766738 /nfs/dbraw/zinc/76/67/38/977766738.db2.gz JQJPGFCGXQZFGR-MBOZVWFJSA-N 0 0 375.469 1.688 10 0 GDAERN CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000720044691 978024152 /nfs/dbraw/zinc/02/41/52/978024152.db2.gz PKLMICOONQQKNA-OAHLLOKOSA-N 0 0 392.481 1.783 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000023396990 530574555 /nfs/dbraw/zinc/57/45/55/530574555.db2.gz DZZLXOMQTKNKGG-SECBINFHSA-N 0 0 376.406 1.652 10 0 GDAERN C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(Br)c1 ZINC000027735136 530589907 /nfs/dbraw/zinc/58/99/07/530589907.db2.gz KQUHGZXINWWTEO-SNVBAGLBSA-N 0 0 390.241 1.770 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@H](n2cncn2)C1 ZINC000170896501 530591089 /nfs/dbraw/zinc/59/10/89/530591089.db2.gz NELZHBXQFQHREA-JTQLQIEISA-N 0 0 382.218 1.227 10 0 GDAERN Cn1cnc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)c1Cl ZINC000172605222 530615219 /nfs/dbraw/zinc/61/52/19/530615219.db2.gz VLCXOCMNHLRJLT-UHFFFAOYSA-N 0 0 381.845 1.726 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000171666032 530601772 /nfs/dbraw/zinc/60/17/72/530601772.db2.gz HGIOGSGYZYSMKD-NSHDSACASA-N 0 0 383.861 1.317 10 0 GDAERN N=C1NC(N[C@H](O)C(Cl)(Cl)Cl)=N[C@@H](C(Cl)(Cl)Cl)O1 ZINC000035145045 530613298 /nfs/dbraw/zinc/61/32/98/530613298.db2.gz BSVICRCRIMOVHK-JCYAYHJZSA-N 0 0 378.858 1.871 10 0 GDAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173692300 530635124 /nfs/dbraw/zinc/63/51/24/530635124.db2.gz RYJDNDOUNCBBAF-NSHDSACASA-N 0 0 396.220 1.982 10 0 GDAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)[nH]1 ZINC000173737422 530635557 /nfs/dbraw/zinc/63/55/57/530635557.db2.gz QVDIHEFDUSPDIL-LLVKDONJSA-N 0 0 376.360 1.547 10 0 GDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)n1 ZINC000173790928 530637026 /nfs/dbraw/zinc/63/70/26/530637026.db2.gz FFUVOVHTPAZMPI-GFCCVEGCSA-N 0 0 394.273 1.898 10 0 GDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)[nH]1 ZINC000173839252 530638574 /nfs/dbraw/zinc/63/85/74/530638574.db2.gz SQXXMGFZOIAYHL-QMMMGPOBSA-N 0 0 392.268 1.831 10 0 GDAERN CC(C)N1C[C@H](NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000174003905 530641543 /nfs/dbraw/zinc/64/15/43/530641543.db2.gz FDEFHTLWHATMOC-FZMZJTMJSA-N 0 0 378.491 1.236 10 0 GDAERN CC(=O)N1CC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000173036538 530622116 /nfs/dbraw/zinc/62/21/16/530622116.db2.gz CQYPNTUPKXHTIN-UHFFFAOYSA-N 0 0 384.885 1.773 10 0 GDAERN C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccccc1Br ZINC000174555665 530650921 /nfs/dbraw/zinc/65/09/21/530650921.db2.gz RNOSVFWGVPRZQV-LLVKDONJSA-N 0 0 393.303 1.871 10 0 GDAERN CCc1csc([C@H]2CCCN(CCNS(=O)(=O)CCCOC)C2)n1 ZINC000175147529 530659328 /nfs/dbraw/zinc/65/93/28/530659328.db2.gz HVWHHMPLMMPWFX-AWEZNQCLSA-N 0 0 375.560 1.841 10 0 GDAERN COc1nc(N2CCN(Cc3nnc(C)n3C)CC2)ncc1Br ZINC000175869561 530672701 /nfs/dbraw/zinc/67/27/01/530672701.db2.gz KPFHFJHPAJYUPP-UHFFFAOYSA-N 0 0 382.266 1.007 10 0 GDAERN Cc1c(C(=O)N2CCS[C@@H](C)C2)cc(Br)cc1S(N)(=O)=O ZINC000176226486 530679713 /nfs/dbraw/zinc/67/97/13/530679713.db2.gz ZINJEXPUERFOHM-QMMMGPOBSA-N 0 0 393.328 1.982 10 0 GDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1ccccc1Br ZINC000176569265 530686523 /nfs/dbraw/zinc/68/65/23/530686523.db2.gz SXOPDBHTBMOQGO-QFIPXVFZSA-N 0 0 386.275 1.904 10 0 GDAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177191684 530698863 /nfs/dbraw/zinc/69/88/63/530698863.db2.gz JHTYYBDBLMQXEI-UONOGXRCSA-N 0 0 385.258 1.954 10 0 GDAERN C[C@@H](SC[C@H](O)CO)C(=O)Nc1cccc(I)c1 ZINC000177410195 530702736 /nfs/dbraw/zinc/70/27/36/530702736.db2.gz SGCYATMQVZBEDA-LDYMZIIASA-N 0 0 381.235 1.705 10 0 GDAERN CN(CC(=O)N[C@@H]1CCCn2ncnc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000177597958 530706164 /nfs/dbraw/zinc/70/61/64/530706164.db2.gz YVZQJNPRCDMRKQ-CYBMUJFWSA-N 0 0 383.861 1.203 10 0 GDAERN COc1cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)ccc1Br ZINC000177630858 530707129 /nfs/dbraw/zinc/70/71/29/530707129.db2.gz GWSSXWQTAVFYIC-JTQLQIEISA-N 0 0 394.229 1.119 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(Br)cn(C)c3=O)CCO2)[nH]1 ZINC000177966029 530713633 /nfs/dbraw/zinc/71/36/33/530713633.db2.gz NEWNTILNBKQUCP-LLVKDONJSA-N 0 0 397.233 1.180 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)c1=O ZINC000177973746 530714475 /nfs/dbraw/zinc/71/44/75/530714475.db2.gz KEHYLFVNLKHOSB-LBPRGKRZSA-N 0 0 385.262 1.086 10 0 GDAERN O=C(NC[C@@H]1CN2CCN1CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000178782238 530728289 /nfs/dbraw/zinc/72/82/89/530728289.db2.gz VLBMSUXGGDBUSP-LLVKDONJSA-N 0 0 391.269 1.020 10 0 GDAERN CC(C)[C@@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000178863526 530729609 /nfs/dbraw/zinc/72/96/09/530729609.db2.gz AQRSJDFMSLSQSL-NSHDSACASA-N 0 0 380.919 1.641 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(OC)c(Br)c1)C(C)C ZINC000178930510 530731181 /nfs/dbraw/zinc/73/11/81/530731181.db2.gz GVNCRSPYVRZSOK-GFCCVEGCSA-N 0 0 379.276 1.507 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CCN1C[C@@H](C)O ZINC000179844358 530751066 /nfs/dbraw/zinc/75/10/66/530751066.db2.gz VWVKORYYTSMXSV-NEPJUHHUSA-N 0 0 399.289 1.086 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)cc1Br ZINC000180210225 530759938 /nfs/dbraw/zinc/75/99/38/530759938.db2.gz MMNASMGQBNKOSF-SNVBAGLBSA-N 0 0 392.047 1.538 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(C)C ZINC000180180491 530760204 /nfs/dbraw/zinc/76/02/04/530760204.db2.gz DDLJKLPZFNHNDK-LLVKDONJSA-N 0 0 392.200 1.553 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000180217569 530760806 /nfs/dbraw/zinc/76/08/06/530760806.db2.gz QSVNSSFRLLYHQN-SNVBAGLBSA-N 0 0 381.148 1.794 10 0 GDAERN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CC[C@H](CO)C1 ZINC000179669688 530747354 /nfs/dbraw/zinc/74/73/54/530747354.db2.gz DASZVYNTTJGHTJ-KBPBESRZSA-N 0 0 386.901 1.582 10 0 GDAERN C[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1ccccc1Br ZINC000180810620 530772240 /nfs/dbraw/zinc/77/22/40/530772240.db2.gz MFKKOZADYBRWGT-SNVBAGLBSA-N 0 0 380.246 1.962 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000181236077 530780081 /nfs/dbraw/zinc/78/00/81/530780081.db2.gz NKHYOWXTAZZLBH-LBPRGKRZSA-N 0 0 387.278 1.068 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000180515812 530767086 /nfs/dbraw/zinc/76/70/86/530767086.db2.gz YLOLUEFLYQEXKI-DGCLKSJQSA-N 0 0 386.905 1.546 10 0 GDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)[C@@H](C)C2 ZINC000180599278 530768476 /nfs/dbraw/zinc/76/84/76/530768476.db2.gz PYQHLSHLFQCLFN-YVEFUNNKSA-N 0 0 380.491 1.854 10 0 GDAERN C[C@@H](CNC(=O)NCCNc1cccc(Br)c1)N1CCOCC1 ZINC000182330221 530797845 /nfs/dbraw/zinc/79/78/45/530797845.db2.gz WMOUAZOGSWLMDP-ZDUSSCGKSA-N 0 0 385.306 1.881 10 0 GDAERN Cc1cnc([C@@H](C)CNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000184485913 530828669 /nfs/dbraw/zinc/82/86/69/530828669.db2.gz DVVFTRGXEWVZCS-GXTWGEPZSA-N 0 0 386.543 1.765 10 0 GDAERN CN(CCS(C)(=O)=O)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000102777145 530829979 /nfs/dbraw/zinc/82/99/79/530829979.db2.gz VWYTVOXBBZEAKS-VQHVLOKHSA-N 0 0 382.301 1.726 10 0 GDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(OCC(F)(F)F)nc1 ZINC000183112627 530809113 /nfs/dbraw/zinc/80/91/13/530809113.db2.gz OEUNFWLHYSQJBD-SNVBAGLBSA-N 0 0 377.348 1.428 10 0 GDAERN COc1cc([C@@H]2NC(=O)[C@H]3COCCN32)cc(Br)c1OC(F)F ZINC000093885284 530813618 /nfs/dbraw/zinc/81/36/18/530813618.db2.gz SFCCCOBXOUMNQA-BXKDBHETSA-N 0 0 393.184 1.888 10 0 GDAERN Cc1csc([C@H](C)CNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000183943878 530822174 /nfs/dbraw/zinc/82/21/74/530822174.db2.gz TVPCYNSFAYTKSG-TZMCWYRMSA-N 0 0 386.543 1.765 10 0 GDAERN Cc1ccc(C(=O)N2CCN(c3cccs3)C(=O)C2)cc1S(C)(=O)=O ZINC000184098391 530824769 /nfs/dbraw/zinc/82/47/69/530824769.db2.gz AOKXQEUFEWGMIQ-UHFFFAOYSA-N 0 0 378.475 1.949 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000106758980 530849690 /nfs/dbraw/zinc/84/96/90/530849690.db2.gz WCGQSSHJCWMYIO-AWEZNQCLSA-N 0 0 379.258 1.695 10 0 GDAERN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(c2cccs2)C(=O)C1 ZINC000186088747 530851114 /nfs/dbraw/zinc/85/11/14/530851114.db2.gz BRNJANJCEZSJDJ-SECBINFHSA-N 0 0 378.376 1.173 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000186320766 530855128 /nfs/dbraw/zinc/85/51/28/530855128.db2.gz MFVILDDYAFYJKQ-UHFFFAOYSA-N 0 0 377.622 1.395 10 0 GDAERN CC(C)(COc1ncccc1Br)NC(=O)NCC(=O)NCC1CC1 ZINC000186760261 530861941 /nfs/dbraw/zinc/86/19/41/530861941.db2.gz ZETJWVHJLSAJIQ-UHFFFAOYSA-N 0 0 399.289 1.827 10 0 GDAERN COc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1Br ZINC000186785832 530862677 /nfs/dbraw/zinc/86/26/77/530862677.db2.gz DSCKJYNUPJKIMX-UHFFFAOYSA-N 0 0 382.258 1.878 10 0 GDAERN O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN2CCC[C@@H]2C1 ZINC000187194218 530868847 /nfs/dbraw/zinc/86/88/47/530868847.db2.gz QXVZCKRZYMWJCA-LLVKDONJSA-N 0 0 398.428 1.449 10 0 GDAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CCO[C@@H](c4nccs4)C3)cc12 ZINC000111343357 530873462 /nfs/dbraw/zinc/87/34/62/530873462.db2.gz VIUSTPSZNKOKQV-CYBMUJFWSA-N 0 0 379.467 1.495 10 0 GDAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)n1 ZINC000111344649 530873608 /nfs/dbraw/zinc/87/36/08/530873608.db2.gz MBEVARDQQSLQAW-JTQLQIEISA-N 0 0 388.881 1.141 10 0 GDAERN C[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1nnc2n1CCCC2 ZINC000185217019 530837815 /nfs/dbraw/zinc/83/78/15/530837815.db2.gz BENQZVWDTCAYOH-VIFPVBQESA-N 0 0 378.380 1.413 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000104357384 530838259 /nfs/dbraw/zinc/83/82/59/530838259.db2.gz RVJXQCFZKFBDBW-CABCVRRESA-N 0 0 396.285 1.753 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000185276539 530839538 /nfs/dbraw/zinc/83/95/38/530839538.db2.gz PXZVZFNKQNRZGR-UHFFFAOYSA-N 0 0 393.241 1.222 10 0 GDAERN CN1CCO[C@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000104797422 530840527 /nfs/dbraw/zinc/84/05/27/530840527.db2.gz GFANGQWOVSOURC-CYBMUJFWSA-N 0 0 388.299 1.551 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000189191967 530909868 /nfs/dbraw/zinc/90/98/68/530909868.db2.gz DWMQSCPQVJVYSG-VHSXEESVSA-N 0 0 375.838 1.224 10 0 GDAERN Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1 ZINC000189199361 530910048 /nfs/dbraw/zinc/91/00/48/530910048.db2.gz OLKRJVVJQHCKTB-WCQYABFASA-N 0 0 376.360 1.642 10 0 GDAERN CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000112301018 530880740 /nfs/dbraw/zinc/88/07/40/530880740.db2.gz NVHZTEZUSYPBJP-OWJWWREXSA-N 0 0 386.539 1.503 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000112473280 530881779 /nfs/dbraw/zinc/88/17/79/530881779.db2.gz NHUGZAWEJZOKQH-CQSZACIVSA-N 0 0 394.269 1.465 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1Br ZINC000187979596 530882205 /nfs/dbraw/zinc/88/22/05/530882205.db2.gz VOJULEWAHPXUPO-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188014501 530882770 /nfs/dbraw/zinc/88/27/70/530882770.db2.gz QUDVAZVNPXVRNW-UHFFFAOYSA-N 0 0 394.269 1.823 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc1Br ZINC000188057844 530883371 /nfs/dbraw/zinc/88/33/71/530883371.db2.gz HKKJIXMJJQCJKK-ZDUSSCGKSA-N 0 0 398.301 1.841 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000188176770 530887999 /nfs/dbraw/zinc/88/79/99/530887999.db2.gz IFVJIKYKVZEQPZ-GFCCVEGCSA-N 0 0 384.274 1.708 10 0 GDAERN CCc1csc([C@@H]2CCCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000113440220 530890130 /nfs/dbraw/zinc/89/01/30/530890130.db2.gz QDHMCQXQQMSHKM-UKRRQHHQSA-N 0 0 385.555 1.530 10 0 GDAERN CC(=O)NC1CN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000190496851 530931185 /nfs/dbraw/zinc/93/11/85/530931185.db2.gz QIGSGEXETXLUHX-UHFFFAOYSA-N 0 0 378.597 1.905 10 0 GDAERN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000190513434 530931575 /nfs/dbraw/zinc/93/15/75/530931575.db2.gz OKHXYTAUOGYICJ-OAHLLOKOSA-N 0 0 387.571 1.803 10 0 GDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000190508788 530931934 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COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000190739053 530936000 /nfs/dbraw/zinc/93/60/00/530936000.db2.gz WWMJVIFXSBMNBJ-CQSZACIVSA-N 0 0 389.271 1.795 10 0 GDAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)o1 ZINC000123538952 530985191 /nfs/dbraw/zinc/98/51/91/530985191.db2.gz KCXTWXOWABTGBR-SECBINFHSA-N 0 0 382.214 1.865 10 0 GDAERN C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192844052 530974660 /nfs/dbraw/zinc/97/46/60/530974660.db2.gz OYWBOMSXRWETIL-GFCCVEGCSA-N 0 0 381.885 1.954 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)COc3ccccc3Br)CCO2)[nH]1 ZINC000123081829 530979621 /nfs/dbraw/zinc/97/96/21/530979621.db2.gz LGTKMFCTQLVPFO-ZDUSSCGKSA-N 0 0 381.230 1.855 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000193277252 530982629 /nfs/dbraw/zinc/98/26/29/530982629.db2.gz WINQRQDUDRANGZ-LBPRGKRZSA-N 0 0 399.289 1.270 10 0 GDAERN CN1CCO[C@H](CNC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000122487464 530971712 /nfs/dbraw/zinc/97/17/12/530971712.db2.gz 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10 0 GDAERN Cc1ccc2c(cc3c(=O)n(CC(=O)NCCCN4CCCC4=O)nc(C)n32)c1 ZINC000006749688 570282046 /nfs/dbraw/zinc/28/20/46/570282046.db2.gz PHLCOJLHRRCJRA-UHFFFAOYSA-N 0 0 395.463 1.395 10 0 GDAERN COCCCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@H](C)O ZINC000036207562 570569180 /nfs/dbraw/zinc/56/91/80/570569180.db2.gz KYGZIWKVXFFMLZ-JTQLQIEISA-N 0 0 383.470 1.299 10 0 GDAERN CCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C(C)C)no3)C2)cn1 ZINC000328612993 570584731 /nfs/dbraw/zinc/58/47/31/570584731.db2.gz QOEVQUGJVMSNFH-INIZCTEOSA-N 0 0 382.442 1.269 10 0 GDAERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Nc2cccnc2OC)cn1 ZINC000275434069 570692803 /nfs/dbraw/zinc/69/28/03/570692803.db2.gz FHAOIIBOSKBLPA-CQSZACIVSA-N 0 0 379.442 1.310 10 0 GDAERN CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000005028713 570897198 /nfs/dbraw/zinc/89/71/98/570897198.db2.gz LPCXKUMBURBDNS-CHWSQXEVSA-N 0 0 395.481 1.447 10 0 GDAERN CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000071188824 644587295 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C[C@@H](C(=O)NCCCc1nnc2ccccn21)n1cc(Br)cn1 ZINC000222439598 645073570 /nfs/dbraw/zinc/07/35/70/645073570.db2.gz OHYHDQABHYIVCY-NSHDSACASA-N 0 0 377.246 1.998 10 0 GDAERN CC(C)(C)[C@H](O)CCNC(=O)c1cnc(-n2cnnc2)c(Br)c1 ZINC000223069255 645074216 /nfs/dbraw/zinc/07/42/16/645074216.db2.gz BCQCGSBOVDRKFD-GFCCVEGCSA-N 0 0 382.262 1.952 10 0 GDAERN O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CCN(Cc2cscn2)CC1 ZINC000329165895 645300638 /nfs/dbraw/zinc/30/06/38/645300638.db2.gz HRGFEDLPWZRELS-OAHLLOKOSA-N 0 0 380.539 1.489 10 0 GDAERN Cc1noc(CN2CCN(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)n1 ZINC000329862197 645333582 /nfs/dbraw/zinc/33/35/82/645333582.db2.gz YJPOEJHJNXGIGY-UHFFFAOYSA-N 0 0 377.352 1.598 10 0 GDAERN CCc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 ZINC000702767935 654832818 /nfs/dbraw/zinc/83/28/18/654832818.db2.gz PSXGHMKWLMUSKU-WCQYABFASA-N 0 0 390.527 1.817 10 0 GDAERN CC(C)Cc1ncnc(N2CCOC[C@@H]2CO)c1I ZINC000895933959 658740276 /nfs/dbraw/zinc/74/02/76/658740276.db2.gz 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O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000158895313 530537092 /nfs/dbraw/zinc/53/70/92/530537092.db2.gz DZQRUJZMUMNLPZ-SNVBAGLBSA-N 0 0 377.253 1.675 10 0 GDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000158919991 530537854 /nfs/dbraw/zinc/53/78/54/530537854.db2.gz HXFRXYYNKIFBNS-MRVPVSSYSA-N 0 0 376.269 1.836 10 0 GDAERN O=S1(=O)CC[C@@H](N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)C1 ZINC000020955179 530570104 /nfs/dbraw/zinc/57/01/04/530570104.db2.gz VYYPNQGKXQIKLT-MRXNPFEDSA-N 0 0 386.901 1.511 10 0 GDAERN O=S(=O)(Cc1c(F)cccc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000164821003 530579965 /nfs/dbraw/zinc/57/99/65/530579965.db2.gz AWZDHIBBMXOBRH-LBPRGKRZSA-N 0 0 394.465 1.295 10 0 GDAERN O=S(=O)(Cc1c(F)cccc1F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000164821104 530580098 /nfs/dbraw/zinc/58/00/98/530580098.db2.gz AWZDHIBBMXOBRH-GFCCVEGCSA-N 0 0 394.465 1.295 10 0 GDAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000025376264 530581519 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Cc1cc(C)n(C[C@@H]2CN(C(=O)c3c[nH]c(=O)c(Br)c3)CCO2)n1 ZINC000173655964 530634024 /nfs/dbraw/zinc/63/40/24/530634024.db2.gz GQXSKJIZCKWYNY-ZDUSSCGKSA-N 0 0 395.257 1.492 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(Br)c3)CCO2)[nH]1 ZINC000173838367 530638607 /nfs/dbraw/zinc/63/86/07/530638607.db2.gz NOWFXZJLAFJPRN-LBPRGKRZSA-N 0 0 387.259 1.638 10 0 GDAERN CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173831480 530638693 /nfs/dbraw/zinc/63/86/93/530638693.db2.gz KGJJJRGLKXZAAF-GFCCVEGCSA-N 0 0 392.257 1.668 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(Br)c3)CCO2)[nH]1 ZINC000173838385 530638790 /nfs/dbraw/zinc/63/87/90/530638790.db2.gz NOWFXZJLAFJPRN-GFCCVEGCSA-N 0 0 387.259 1.638 10 0 GDAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172746866 530617919 /nfs/dbraw/zinc/61/79/19/530617919.db2.gz XWAPNOPRRKFVLK-LBPRGKRZSA-N 0 0 383.242 1.725 10 0 GDAERN O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1csc(-c2ccsc2)n1 ZINC000174463758 530648631 /nfs/dbraw/zinc/64/86/31/530648631.db2.gz HBXQAPDLDWUBON-MGPLVRAMSA-N 0 0 376.463 1.980 10 0 GDAERN COc1ccc(Br)cc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000050134681 530674961 /nfs/dbraw/zinc/67/49/61/530674961.db2.gz IWMKJCJGXIPUOU-GFCCVEGCSA-N 0 0 386.290 1.978 10 0 GDAERN Cc1csc(NC(=O)C(=O)N2CCCN(Cc3csc(C)n3)CC2)n1 ZINC000176033371 530675463 /nfs/dbraw/zinc/67/54/63/530675463.db2.gz YSGUJFBHMVJKOC-UHFFFAOYSA-N 0 0 379.511 1.889 10 0 GDAERN C[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C[C@@H](C(N)=O)O1 ZINC000177271462 530700520 /nfs/dbraw/zinc/70/05/20/530700520.db2.gz LJORMYVEOYBZFB-KCJUWKMLSA-N 0 0 379.766 1.872 10 0 GDAERN CS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000177976476 530714154 /nfs/dbraw/zinc/71/41/54/530714154.db2.gz HDOFMQZLYIEDEV-CYBMUJFWSA-N 0 0 379.404 1.447 10 0 GDAERN O=C(NC[C@H]1CN2CCN1CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000178728595 530727019 /nfs/dbraw/zinc/72/70/19/530727019.db2.gz QBCAVXONWLOOKF-ZDUSSCGKSA-N 0 0 390.285 1.569 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000179888122 530752343 /nfs/dbraw/zinc/75/23/43/530752343.db2.gz NBCISIJTXQYLKI-GFCCVEGCSA-N 0 0 391.225 1.858 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)sc1Br ZINC000180087835 530757669 /nfs/dbraw/zinc/75/76/69/530757669.db2.gz FFBNLJPOFPCSIC-RKDXNWHRSA-N 0 0 398.348 1.290 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000180225217 530761007 /nfs/dbraw/zinc/76/10/07/530761007.db2.gz XCCQPXCDQLIHDR-GFCCVEGCSA-N 0 0 394.229 1.414 10 0 GDAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000179735123 530748208 /nfs/dbraw/zinc/74/82/08/530748208.db2.gz BIWKNHJVEKLGNK-CMPLNLGQSA-N 0 0 393.665 1.028 10 0 GDAERN CC(C)Oc1ccc(S(=O)(=O)N2CCNC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000180721893 530770558 /nfs/dbraw/zinc/77/05/58/530770558.db2.gz DOGIMKQFIPBPTQ-ZDUSSCGKSA-N 0 0 380.388 1.915 10 0 GDAERN Cc1ccnc2c1NC(=O)CN2C(=O)Cn1cc(Br)ccc1=O ZINC000181043863 530776769 /nfs/dbraw/zinc/77/67/69/530776769.db2.gz FRQPZOFCEXMNTO-UHFFFAOYSA-N 0 0 377.198 1.300 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ccccc2I)cn1 ZINC000181364129 530782352 /nfs/dbraw/zinc/78/23/52/530782352.db2.gz OIPLXJHKRSGIMM-AWEZNQCLSA-N 0 0 396.232 1.811 10 0 GDAERN CCOC(=O)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1cccc(Br)c1 ZINC000182754988 530804008 /nfs/dbraw/zinc/80/40/08/530804008.db2.gz LYBQUHHIEDUIJF-AAEUAGOBSA-N 0 0 383.242 1.696 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000181872681 530791936 /nfs/dbraw/zinc/79/19/36/530791936.db2.gz MNPQRLGOEQOHGZ-NSHDSACASA-N 0 0 380.436 1.803 10 0 GDAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCN(Cc2ccon2)CC1 ZINC000182075892 530793987 /nfs/dbraw/zinc/79/39/87/530793987.db2.gz ZZDZRAJXSIDNLN-UHFFFAOYSA-N 0 0 376.360 1.595 10 0 GDAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)c2ccc(Br)o2)n1 ZINC000182086210 530794053 /nfs/dbraw/zinc/79/40/53/530794053.db2.gz CENQOFLQCKQHTN-SECBINFHSA-N 0 0 399.201 1.063 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000069190266 530795752 /nfs/dbraw/zinc/79/57/52/530795752.db2.gz FIOVQGPGGLJVGQ-CQSZACIVSA-N 0 0 384.889 2.369 10 0 GDAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000182222700 530796228 /nfs/dbraw/zinc/79/62/28/530796228.db2.gz GQMFPBNEGVEZRV-LLVKDONJSA-N 0 0 375.376 1.793 10 0 GDAERN Cc1cnc([C@H](C)CNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000184485934 530828633 /nfs/dbraw/zinc/82/86/33/530828633.db2.gz DVVFTRGXEWVZCS-TZMCWYRMSA-N 0 0 386.543 1.765 10 0 GDAERN NC(=O)N1CCCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000102933014 530831189 /nfs/dbraw/zinc/83/11/89/530831189.db2.gz MRKWQTYVSCTBIW-IZZDOVSWSA-N 0 0 388.287 1.836 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cccc(Br)c2)n1 ZINC000183744770 530820020 /nfs/dbraw/zinc/82/00/20/530820020.db2.gz MJFWLBOCYXDUHS-GFCCVEGCSA-N 0 0 388.243 1.903 10 0 GDAERN CCN(C(=O)c1cc(C)ccc1I)[C@H]1CC(=O)NC1=O ZINC000101516036 530823755 /nfs/dbraw/zinc/82/37/55/530823755.db2.gz QXBWZCSHOLHTNN-NSHDSACASA-N 0 0 386.189 1.477 10 0 GDAERN NC(=O)NC(=O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916716 530826083 /nfs/dbraw/zinc/82/60/83/530826083.db2.gz RIZVTPJGUXHNMT-UHFFFAOYSA-N 0 0 383.246 1.295 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3c(Br)ccc(F)c3C2)C1 ZINC000186200604 530853057 /nfs/dbraw/zinc/85/30/57/530853057.db2.gz FXJWRACWBMRDKR-LLVKDONJSA-N 0 0 398.276 1.670 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000186267352 530854662 /nfs/dbraw/zinc/85/46/62/530854662.db2.gz HJSGDNXGFJQXPS-SNVBAGLBSA-N 0 0 393.437 1.591 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)c2csc(I)c2)CC1 ZINC000107597353 530854775 /nfs/dbraw/zinc/85/47/75/530854775.db2.gz WHCMRZBTWHTLLG-LLVKDONJSA-N 0 0 394.278 1.881 10 0 GDAERN COC(=O)[C@@]1(C)CCCN1Cc1nnnn1-c1ccccc1Br ZINC000186365186 530855764 /nfs/dbraw/zinc/85/57/64/530855764.db2.gz CFYSCLMDEQBCAE-OAHLLOKOSA-N 0 0 380.246 1.952 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3cncc(Br)c3)CC2)n1 ZINC000109653477 530864128 /nfs/dbraw/zinc/86/41/28/530864128.db2.gz GSKOHOFRFJPZBC-UHFFFAOYSA-N 0 0 392.257 1.995 10 0 GDAERN O=C(NCCNC(=O)N1CCN(C2CC2)CC1)c1cccc(Br)c1 ZINC000105217927 530842260 /nfs/dbraw/zinc/84/22/60/530842260.db2.gz XSJMPCWSQNISJZ-UHFFFAOYSA-N 0 0 395.301 1.669 10 0 GDAERN CC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1nc(C(F)(F)F)cs1 ZINC000185573872 530844011 /nfs/dbraw/zinc/84/40/11/530844011.db2.gz SNQBQOVCLCBGAR-VIFPVBQESA-N 0 0 380.392 1.769 10 0 GDAERN O=S(=O)(Cc1nc(-c2ccoc2)no1)C[C@@H](O)COCc1cccs1 ZINC000105716445 530844612 /nfs/dbraw/zinc/84/46/12/530844612.db2.gz KWRPASDSBOOWLR-LBPRGKRZSA-N 0 0 384.435 1.884 10 0 GDAERN O=C(c1csc(I)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000116675057 530905895 /nfs/dbraw/zinc/90/58/95/530905895.db2.gz VCABSKCJLIWDGD-NSHDSACASA-N 0 0 392.262 1.899 10 0 GDAERN COc1cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)ccc1Br ZINC000187932572 530881471 /nfs/dbraw/zinc/88/14/71/530881471.db2.gz OAWUOTIVGVWIJW-UHFFFAOYSA-N 0 0 389.271 1.357 10 0 GDAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112663557 530883399 /nfs/dbraw/zinc/88/33/99/530883399.db2.gz ZUWOAIYKAVGIEC-ZDUSSCGKSA-N 0 0 392.257 1.292 10 0 GDAERN Cc1ccc(I)c(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112646960 530883521 /nfs/dbraw/zinc/88/35/21/530883521.db2.gz VVRYOKCGYVLZOK-SNVBAGLBSA-N 0 0 382.205 1.936 10 0 GDAERN Cc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1I ZINC000112653118 530883637 /nfs/dbraw/zinc/88/36/37/530883637.db2.gz MRATVVGCTFCQAY-JTQLQIEISA-N 0 0 382.205 1.936 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCC(Nc4nccs4)CC3)cc2[nH]1 ZINC000188087386 530884697 /nfs/dbraw/zinc/88/46/97/530884697.db2.gz YTQKNEXQPLMWCD-UHFFFAOYSA-N 0 0 379.467 1.578 10 0 GDAERN CC(C)(C)[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C(N)=O ZINC000113290240 530888305 /nfs/dbraw/zinc/88/83/05/530888305.db2.gz PKZMQFWGWJIYLH-JTQLQIEISA-N 0 0 385.230 1.906 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000113298848 530889035 /nfs/dbraw/zinc/88/90/35/530889035.db2.gz VYRBHDZEMVJNTJ-MRVPVSSYSA-N 0 0 378.788 1.826 10 0 GDAERN COc1cc(Br)c(F)cc1S(=O)(=O)N1CC(NC(C)=O)C1 ZINC000188544255 530896313 /nfs/dbraw/zinc/89/63/13/530896313.db2.gz FIYYOMHXMFGLRF-UHFFFAOYSA-N 0 0 381.223 1.106 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1sccc1S(=O)(=O)C(F)F)CC2 ZINC000114865175 530896739 /nfs/dbraw/zinc/89/67/39/530896739.db2.gz SRPRIEBABQVNCJ-MRVPVSSYSA-N 0 0 390.437 1.643 10 0 GDAERN CNS(=O)(=O)c1cc(C(=O)N2CCC(Nc3nccs3)CC2)c(C)o1 ZINC000190379742 530929693 /nfs/dbraw/zinc/92/96/93/530929693.db2.gz AVGXOPXOBSFNSI-UHFFFAOYSA-N 0 0 384.483 1.669 10 0 GDAERN CC(=O)NC1CN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000190481281 530930918 /nfs/dbraw/zinc/93/09/18/530930918.db2.gz WTMNZVLXNAGPGM-UHFFFAOYSA-N 0 0 380.132 1.530 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2sccc2Br)C[C@H]1C ZINC000117369952 530912992 /nfs/dbraw/zinc/91/29/92/530912992.db2.gz ALBMOIFGPVSAOU-SNVBAGLBSA-N 0 0 383.333 1.852 10 0 GDAERN Cc1cnn(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 ZINC000117810699 530914177 /nfs/dbraw/zinc/91/41/77/530914177.db2.gz HIJQJJOVSKZWMH-CQSZACIVSA-N 0 0 382.511 1.531 10 0 GDAERN Cc1cc(N2CCN(C(=O)CNC(=O)c3ccc(Br)o3)CC2)n[nH]1 ZINC000189714909 530919007 /nfs/dbraw/zinc/91/90/07/530919007.db2.gz QHESKXMHCSEVAT-UHFFFAOYSA-N 0 0 396.245 1.152 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1cccc(I)c1 ZINC000118971743 530920439 /nfs/dbraw/zinc/92/04/39/530920439.db2.gz VYKVCYOISQUPKU-CYBMUJFWSA-N 0 0 386.233 1.913 10 0 GDAERN CN1CCCN(C(=O)c2ccc(F)c(I)c2)CC1=O ZINC000189813917 530920935 /nfs/dbraw/zinc/92/09/35/530920935.db2.gz BGEMFXXKUXQWEC-UHFFFAOYSA-N 0 0 376.169 1.735 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)C1(c2ccccc2Br)CC1 ZINC000190101139 530925313 /nfs/dbraw/zinc/92/53/13/530925313.db2.gz PBZDGBRUDNUSIB-CYBMUJFWSA-N 0 0 383.286 1.290 10 0 GDAERN Cc1noc(Cl)c1CC(=O)NCCN(C)C(=O)Cc1c(C)noc1Cl ZINC000119387639 530925690 /nfs/dbraw/zinc/92/56/90/530925690.db2.gz SOVWTZSMRUBTSM-UHFFFAOYSA-N 0 0 389.239 1.946 10 0 GDAERN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H](O)C1 ZINC000119455425 530926291 /nfs/dbraw/zinc/92/62/91/530926291.db2.gz QUTDDOLVSDEJCO-HIFRSBDPSA-N 0 0 386.901 1.724 10 0 GDAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000121805579 530962519 /nfs/dbraw/zinc/96/25/19/530962519.db2.gz DVFLSEOJKFYSLP-NWDGAFQWSA-N 0 0 377.268 1.570 10 0 GDAERN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120112489 530935852 /nfs/dbraw/zinc/93/58/52/530935852.db2.gz ACVQJYZIMMABJM-XPKDYRNWSA-N 0 0 386.901 1.485 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC(n2cncn2)CC1 ZINC000120235625 530937400 /nfs/dbraw/zinc/93/74/00/530937400.db2.gz YOBXODKHBXYOFF-UHFFFAOYSA-N 0 0 396.220 1.982 10 0 GDAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3sccc3OC)CC2)n1 ZINC000120400441 530940640 /nfs/dbraw/zinc/94/06/40/530940640.db2.gz PISMKDVWOWKJKV-LLVKDONJSA-N 0 0 386.499 1.770 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)c1 ZINC000191201889 530944564 /nfs/dbraw/zinc/94/45/64/530944564.db2.gz QQOXZOAYSWUSHA-UHFFFAOYSA-N 0 0 387.184 1.987 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000191201478 530944759 /nfs/dbraw/zinc/94/47/59/530944759.db2.gz OLXUJGOEDCWBRA-VIFPVBQESA-N 0 0 392.200 1.113 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c(C)cc(Br)cc2Cl)C1 ZINC000191339557 530947518 /nfs/dbraw/zinc/94/75/18/530947518.db2.gz MDGZOSPKNYYBNF-UHFFFAOYSA-N 0 0 388.649 1.696 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000123265332 530981824 /nfs/dbraw/zinc/98/18/24/530981824.db2.gz ZABCRSDHTRMSLM-LBPRGKRZSA-N 0 0 384.274 1.533 10 0 GDAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000122149492 530967211 /nfs/dbraw/zinc/96/72/11/530967211.db2.gz HCFOMRHASIGRSH-GFCCVEGCSA-N 0 0 387.458 1.279 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1Br ZINC000193458192 530987079 /nfs/dbraw/zinc/98/70/79/530987079.db2.gz MMOLZKVGMYWXLE-GFCCVEGCSA-N 0 0 381.274 1.788 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CCN1C[C@@H](C)O ZINC000193471781 530987275 /nfs/dbraw/zinc/98/72/75/530987275.db2.gz AKQYIHUUUARSIT-DGCLKSJQSA-N 0 0 399.289 1.086 10 0 GDAERN O=C(c1cccnc1Br)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000125948834 531012525 /nfs/dbraw/zinc/01/25/25/531012525.db2.gz MIASWRMEVDBDJJ-NSHDSACASA-N 0 0 388.287 1.484 10 0 GDAERN NC(=O)[C@H]1CCCN(C(=O)COc2cc(Br)cc(F)c2F)C1 ZINC000195446680 531023307 /nfs/dbraw/zinc/02/33/07/531023307.db2.gz XMQHVIGQQKDHIO-QMMMGPOBSA-N 0 0 377.185 1.830 10 0 GDAERN C[C@@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000195502258 531025417 /nfs/dbraw/zinc/02/54/17/531025417.db2.gz XHESOGFWJYFWQW-LLVKDONJSA-N 0 0 392.884 1.156 10 0 GDAERN NS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000127398717 531029658 /nfs/dbraw/zinc/02/96/58/531029658.db2.gz KYZPDDUHCAUEAR-UHFFFAOYSA-N 0 0 383.470 1.933 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1Br ZINC000245937023 531061834 /nfs/dbraw/zinc/06/18/34/531061834.db2.gz ABFQZLAJIRYUKS-MNOVXSKESA-N 0 0 396.328 1.954 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)sc1Br ZINC000246082541 531062953 /nfs/dbraw/zinc/06/29/53/531062953.db2.gz HGLAMJMQEZDJHL-WDEREUQCSA-N 0 0 397.360 1.895 10 0 GDAERN C[C@H](O)CN1CCN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)C[C@@H]1C ZINC000246213704 531065081 /nfs/dbraw/zinc/06/50/81/531065081.db2.gz SHLOOTJDGRMDBO-RWMBFGLXSA-N 0 0 388.917 1.739 10 0 GDAERN O=C(NCC[S@](=O)Cc1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000247417817 531074326 /nfs/dbraw/zinc/07/43/26/531074326.db2.gz DHCSNIWURWDDSM-OCDDVZBJSA-N 0 0 376.400 1.509 10 0 GDAERN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000247494573 531075492 /nfs/dbraw/zinc/07/54/92/531075492.db2.gz UNSXJGKBELJODE-NEPJUHHUSA-N 0 0 392.930 1.601 10 0 GDAERN Cn1nccc1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000131910997 531076332 /nfs/dbraw/zinc/07/63/32/531076332.db2.gz WIHRUPZUXVKHKU-UHFFFAOYSA-N 0 0 382.873 1.741 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000131997312 531076491 /nfs/dbraw/zinc/07/64/91/531076491.db2.gz ZYQNBOFUJCDVMF-LLVKDONJSA-N 0 0 396.245 1.302 10 0 GDAERN C[C@@H]1CN([C@H](CNS(=O)(=O)C[C@@H]2CCCCO2)c2cccs2)CCO1 ZINC000248341269 531078196 /nfs/dbraw/zinc/07/81/96/531078196.db2.gz IXRBYIPZUDCLSX-OWCLPIDISA-N 0 0 388.555 1.998 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248571484 531079140 /nfs/dbraw/zinc/07/91/40/531079140.db2.gz RDHMMHBFNIZTRS-BXUZGUMPSA-N 0 0 395.294 1.635 10 0 GDAERN CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1 ZINC000249467789 531087409 /nfs/dbraw/zinc/08/74/09/531087409.db2.gz QYBPIBDIGDJQSC-GDBMZVCRSA-N 0 0 380.491 1.504 10 0 GDAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3ccc(Br)cc3)CCO2)[nH]1 ZINC000252480563 531091553 /nfs/dbraw/zinc/09/15/53/531091553.db2.gz BELLZSDGCRYTHU-UKRRQHHQSA-N 0 0 397.273 1.689 10 0 GDAERN CC(C)[C@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000134250906 531098196 /nfs/dbraw/zinc/09/81/96/531098196.db2.gz LUKNEBKPEFHKDT-XJKSGUPXSA-N 0 0 388.917 1.874 10 0 GDAERN O=S(=O)(c1cc(F)ccc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703776 531103186 /nfs/dbraw/zinc/10/31/86/531103186.db2.gz FISYZBWDRWJCQB-LBPRGKRZSA-N 0 0 380.438 1.153 10 0 GDAERN O=S(=O)(c1c(F)cccc1F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134705794 531103206 /nfs/dbraw/zinc/10/32/06/531103206.db2.gz BBIYWXHPSGAIBA-LLVKDONJSA-N 0 0 380.438 1.153 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)c2csc(I)c2)C[C@@H]1C ZINC000246895228 531070761 /nfs/dbraw/zinc/07/07/61/531070761.db2.gz XJAWHGDSQFAZJM-UWVGGRQHSA-N 0 0 394.278 1.880 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151422401 531137162 /nfs/dbraw/zinc/13/71/62/531137162.db2.gz AKXMZTDHGJENPN-BMIGLBTASA-N 0 0 380.246 1.654 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000154318754 531181328 /nfs/dbraw/zinc/18/13/28/531181328.db2.gz CXXAZDIUDWXFRR-HNNXBMFYSA-N 0 0 380.286 1.876 10 0 GDAERN Cc1cc(S(=O)(=O)NCCNc2nn3c(nccc3=O)s2)c(C)s1 ZINC000154393222 531183609 /nfs/dbraw/zinc/18/36/09/531183609.db2.gz NYCDFIPCEBOCEN-UHFFFAOYSA-N 0 0 385.496 1.220 10 0 GDAERN O=S(=O)(N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000157228808 531206330 /nfs/dbraw/zinc/20/63/30/531206330.db2.gz QYWLNHVHLFOXSQ-KGLIPLIRSA-N 0 0 380.388 1.390 10 0 GDAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cs1 ZINC000408054640 531214824 /nfs/dbraw/zinc/21/48/24/531214824.db2.gz TZEBGXQBXFQSFI-SMDDNHRTSA-N 0 0 382.507 1.767 10 0 GDAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408032238 531213014 /nfs/dbraw/zinc/21/30/14/531213014.db2.gz TZXBWFWXKOLPME-QGZVFWFLSA-N 0 0 386.901 1.786 10 0 GDAERN O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CCO[C@H](CO)C1 ZINC000408057923 531215269 /nfs/dbraw/zinc/21/52/69/531215269.db2.gz BPBVEWBKWWPAFS-QMMMGPOBSA-N 0 0 388.642 1.623 10 0 GDAERN Cc1cc(N2CC[S@](=O)[C@H](C)C2)nc([C@H](C)N2CC[S@](=O)[C@H](C)C2)n1 ZINC000408178325 531224090 /nfs/dbraw/zinc/22/40/90/531224090.db2.gz XBZKMRXLZVQSAS-YKMPSRONSA-N 0 0 384.571 1.256 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cc1 ZINC000408181407 531224100 /nfs/dbraw/zinc/22/41/00/531224100.db2.gz CGOBJTSWAOCPRQ-LSDHHAIUSA-N 0 0 386.539 1.728 10 0 GDAERN O=C(Nc1ccc(Cl)cc1I)N1C[C@H](O)C[C@@H]1CO ZINC000408238561 531228524 /nfs/dbraw/zinc/22/85/24/531228524.db2.gz XKZKAORLWYVPSO-RKDXNWHRSA-N 0 0 396.612 1.904 10 0 GDAERN CO[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC[C@H]1C ZINC000408258419 531229246 /nfs/dbraw/zinc/22/92/46/531229246.db2.gz WRTJNXCEPJMKLK-TZMCWYRMSA-N 0 0 388.511 1.266 10 0 GDAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(F)c1I ZINC000548920128 531520433 /nfs/dbraw/zinc/52/04/33/531520433.db2.gz XNZXGPLFJIGGLE-OIBJUYFYSA-N 0 0 376.169 1.827 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000611002538 531523913 /nfs/dbraw/zinc/52/39/13/531523913.db2.gz IDQOFWSLJPILNR-SECBINFHSA-N 0 0 378.185 1.491 10 0 GDAERN O=S(=O)(c1ccc(I)cc1)N1C[C@H](F)C[C@@H]1CO ZINC000364156982 531540184 /nfs/dbraw/zinc/54/01/84/531540184.db2.gz PCMNMIAEWTUVMB-PSASIEDQSA-N 0 0 385.198 1.385 10 0 GDAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000269663016 531707470 /nfs/dbraw/zinc/70/74/70/531707470.db2.gz PFWDRCIGTUTVDE-DTORHVGOSA-N 0 0 377.260 1.346 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)C[C@H]1C(N)=O ZINC000284668804 531978515 /nfs/dbraw/zinc/97/85/15/531978515.db2.gz HNESKNYRCYDQOP-LDYMZIIASA-N 0 0 394.234 1.033 10 0 GDAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000284856910 531998578 /nfs/dbraw/zinc/99/85/78/531998578.db2.gz XTBKHBDWGJEBQH-PELKAZGASA-N 0 0 395.250 1.160 10 0 GDAERN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2ccccc2)cc1Cl ZINC000309952234 532052253 /nfs/dbraw/zinc/05/22/53/532052253.db2.gz OMGKLELAYRZOIF-UHFFFAOYSA-N 0 0 375.859 1.247 10 0 GDAERN C[C@H]1C(=O)CC[C@@H]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000329182530 532098424 /nfs/dbraw/zinc/09/84/24/532098424.db2.gz FFBWAYQMEIKOGV-PRULPYPASA-N 0 0 384.420 1.272 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2cccc(I)c2)C1 ZINC000286165562 532134222 /nfs/dbraw/zinc/13/42/22/532134222.db2.gz YYPFCGUIADJLHG-CQSZACIVSA-N 0 0 388.205 1.603 10 0 GDAERN O=C(c1ncc(Br)cc1Br)N1CCO[C@@H](CO)C1 ZINC000273559466 532156341 /nfs/dbraw/zinc/15/63/41/532156341.db2.gz BWCFFLSAEIIWBS-MRVPVSSYSA-N 0 0 380.036 1.440 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000333388484 532232256 /nfs/dbraw/zinc/23/22/56/532232256.db2.gz CCNDZBFZAVPFDO-UBHSHLNASA-N 0 0 387.527 1.845 10 0 GDAERN CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333100219 532219607 /nfs/dbraw/zinc/21/96/07/532219607.db2.gz CGCFIGJMVSOGOF-VNHYZAJKSA-N 0 0 378.560 1.687 10 0 GDAERN O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333118752 532220102 /nfs/dbraw/zinc/22/01/02/532220102.db2.gz GEZXYMJSXPWXIY-VYDXJSESSA-N 0 0 384.523 1.511 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000333716731 532246665 /nfs/dbraw/zinc/24/66/65/532246665.db2.gz UOBCGRJTLAOKGP-MNOVXSKESA-N 0 0 380.246 2.382 10 0 GDAERN CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000333818983 532251397 /nfs/dbraw/zinc/25/13/97/532251397.db2.gz JLDPYSCEDGKPOG-RDBSUJKOSA-N 0 0 387.527 1.691 10 0 GDAERN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCCCSC ZINC000014968198 207034790 /nfs/dbraw/zinc/03/47/90/207034790.db2.gz KRSFSMBIPKYXLQ-JZLODUJNSA-N 0 0 391.537 1.768 10 0 GDAERN COC1(O[C@@H]2[C@@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@]3(C)OC(C)(C)O[C@H]23)CCOCC1 ZINC000015206114 207047744 /nfs/dbraw/zinc/04/77/44/207047744.db2.gz TZEREDFMAIELRX-VZFRYEQISA-N 0 0 388.457 1.330 10 0 GDAERN CCOC(=O)c1nn(CCO)c2c1CN(Cc1ccc(C(=O)OC)cc1)CC2 ZINC000019854061 207166534 /nfs/dbraw/zinc/16/65/34/207166534.db2.gz IQMJVZBTPHSYLS-UHFFFAOYSA-N 0 0 387.436 1.397 10 0 GDAERN CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nnn3[C@@H](C)CC)CC1 ZINC000033023240 207431219 /nfs/dbraw/zinc/43/12/19/207431219.db2.gz HREJBCGHJIATHE-ZDUSSCGKSA-N 0 0 393.513 1.939 10 0 GDAERN Cc1nccn1-c1cc(NCCNS(=O)(=O)c2ccc(F)cc2)ncn1 ZINC000082230295 208084640 /nfs/dbraw/zinc/08/46/40/208084640.db2.gz JQAFZRKHZKUXKO-UHFFFAOYSA-N 0 0 376.417 1.500 10 0 GDAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cncs2)CN1Cc1ccc(F)c(F)c1 ZINC000299782617 209088320 /nfs/dbraw/zinc/08/83/20/209088320.db2.gz XENWUVNMJRDBTJ-RISCZKNCSA-N 0 0 381.404 1.967 10 0 GDAERN CC(C)C[C@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)/C=C\c1ccco1)C(=O)[O-] ZINC000213073381 570212569 /nfs/dbraw/zinc/21/25/69/570212569.db2.gz CRXYEFZDLANHTQ-AISUJJHZSA-N 0 0 379.457 1.522 10 0 GDAERN CC(C)NC(=O)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035451896 570362711 /nfs/dbraw/zinc/36/27/11/570362711.db2.gz ZRHUEIXSKDYAPA-UHFFFAOYSA-N 0 0 390.459 1.579 10 0 GDAERN Cc1ncc(C(=O)NC2CCCC2)c(=O)n1CC(=O)NCc1ccc(F)cc1 ZINC000064759344 570536338 /nfs/dbraw/zinc/53/63/38/570536338.db2.gz MDWGQBXWNJTYEQ-UHFFFAOYSA-N 0 0 386.427 1.680 10 0 GDAERN Cc1cccc(CN2CCN(CC(=O)NCCCc3ccccc3)C(=O)C2=O)c1 ZINC000064888800 570578717 /nfs/dbraw/zinc/57/87/17/570578717.db2.gz IMEJBMPBNDWWLF-UHFFFAOYSA-N 0 0 393.487 1.915 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@](O)(c4nc(C5CC5)no4)C3)ccc2O1 ZINC000275228321 570688781 /nfs/dbraw/zinc/68/87/81/570688781.db2.gz CVGCMAMRHDYAFQ-ADLMAVQZSA-N 0 0 391.449 1.553 10 0 GDAERN CCOc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NC)cc(Cl)c1OCC ZINC000055383497 570693441 /nfs/dbraw/zinc/69/34/41/570693441.db2.gz FLVNDGYNWNCAKY-AWEZNQCLSA-N 0 0 383.876 1.574 10 0 GDAERN CCc1noc2ncc(S(=O)(=O)N(C)C[C@H]3CCc4nccn4C3)cc12 ZINC000328636478 570779387 /nfs/dbraw/zinc/77/93/87/570779387.db2.gz VMMPTIBBHKTTRX-GFCCVEGCSA-N 0 0 375.454 1.865 10 0 GDAERN COCCN(C)c1cnn([C@H]2CCCN(C(=O)[C@H](C)c3cccnc3)C2)c(=O)c1 ZINC000583620128 570800501 /nfs/dbraw/zinc/80/05/01/570800501.db2.gz BOOCJKYZHQBLPZ-AEFFLSMTSA-N 0 0 399.495 1.688 10 0 GDAERN C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 ZINC000030465152 644304670 /nfs/dbraw/zinc/30/46/70/644304670.db2.gz AXDQCQBESFUCLA-AEZGRPFRSA-N 0 0 392.253 1.737 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)N(C)C(C)C)CC1 ZINC000116899388 644649309 /nfs/dbraw/zinc/64/93/09/644649309.db2.gz MECILPZDUMUODH-UHFFFAOYSA-N 0 0 377.942 1.339 10 0 GDAERN COC(=O)[C@H]1C[C@H]1C(=O)OCCn1nc(C)c2cc(Br)cnc21 ZINC000152843938 644790664 /nfs/dbraw/zinc/79/06/64/644790664.db2.gz SCWGIHPEEIAAAQ-NWDGAFQWSA-N 0 0 382.214 1.855 10 0 GDAERN C[C@H](OC(=O)Cn1ncn(C)c1=O)c1ccc(I)cc1 ZINC000154073031 644801790 /nfs/dbraw/zinc/80/17/90/644801790.db2.gz GXRUXFKZRBQHSA-VIFPVBQESA-N 0 0 387.177 1.491 10 0 GDAERN Cc1ccc([C@H](C)NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)o1 ZINC000171377582 644875221 /nfs/dbraw/zinc/87/52/21/644875221.db2.gz PQWXKTBHJVCBFW-VIFPVBQESA-N 0 0 394.229 1.671 10 0 GDAERN CC(=O)N(c1nn(CN2CC[C@H](N3CCOCC3)C2)c(=S)s1)C1CC1 ZINC000172962147 644886253 /nfs/dbraw/zinc/88/62/53/644886253.db2.gz PVMSTNXSQXVVEM-AWEZNQCLSA-N 0 0 383.543 1.553 10 0 GDAERN CCS(=O)(=O)CCN(C)C[C@H](O)COc1cccc(Br)c1 ZINC000179121231 644930946 /nfs/dbraw/zinc/93/09/46/644930946.db2.gz NLQRMAHJKOZSCN-ZDUSSCGKSA-N 0 0 380.304 1.555 10 0 GDAERN C[C@@H](NC(=O)c1cccc(Br)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000182577389 644961978 /nfs/dbraw/zinc/96/19/78/644961978.db2.gz 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ZINC000330063787 645340452 /nfs/dbraw/zinc/34/04/52/645340452.db2.gz BTFWRHBCCCGWRU-SNVBAGLBSA-N 0 0 381.545 1.104 10 0 GDAERN CCOC(=O)c1nc(NC(=O)[C@@H]2CN(C)C[C@H](C)O2)sc1C(F)(F)F ZINC000891284213 658215067 /nfs/dbraw/zinc/21/50/67/658215067.db2.gz OZOZZOHOTOUFOQ-YUMQZZPRSA-N 0 0 381.376 1.996 10 0 GDAERN Cc1nc([C@H]2CCCN2C(=O)c2c(C)[nH]nc2I)no1 ZINC000896709237 658803257 /nfs/dbraw/zinc/80/32/57/658803257.db2.gz QWOTYSUHZYLCMF-MRVPVSSYSA-N 0 0 387.181 1.991 10 0 GDAERN C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1cc(=O)[nH][nH]1 ZINC000898868508 658963120 /nfs/dbraw/zinc/96/31/20/658963120.db2.gz GYIUBKUOGGJIML-SSDOTTSWSA-N 0 0 387.259 1.889 10 0 GDAERN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000715562098 977770175 /nfs/dbraw/zinc/77/01/75/977770175.db2.gz TVMHJXOTSFVXBJ-VDHUWJSZSA-N 0 0 375.469 1.828 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])no1)C1CC1 ZINC000718072748 977941733 /nfs/dbraw/zinc/94/17/33/977941733.db2.gz 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CCC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)c1 ZINC000180723725 530770440 /nfs/dbraw/zinc/77/04/40/530770440.db2.gz BBWHODHJXPJXAL-CYBMUJFWSA-N 0 0 378.372 1.721 10 0 GDAERN COc1c(C)cc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)cc1C ZINC000180722207 530770926 /nfs/dbraw/zinc/77/09/26/530770926.db2.gz WBMQOFBPGATCLQ-GFCCVEGCSA-N 0 0 380.388 1.754 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@@H]2COc3ccc(Br)cc32)cn1 ZINC000181438105 530783694 /nfs/dbraw/zinc/78/36/94/530783694.db2.gz SNQOPGPNUHIUGD-CABCVRRESA-N 0 0 391.269 1.832 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cnc1Br ZINC000182761276 530803934 /nfs/dbraw/zinc/80/39/34/530803934.db2.gz JDGQCINONIRCBK-LLVKDONJSA-N 0 0 392.257 1.841 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000182764204 530804865 /nfs/dbraw/zinc/80/48/65/530804865.db2.gz FVUHINFLEAFXIU-LBPRGKRZSA-N 0 0 399.289 1.270 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cnc1Br ZINC000182799933 530804888 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O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109105119 530861934 /nfs/dbraw/zinc/86/19/34/530861934.db2.gz FKAUJNUGZKJTHL-CHWSQXEVSA-N 0 0 390.477 1.563 10 0 GDAERN Cc1cc(N2CCN([C@H](C(N)=O)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000187232912 530868600 /nfs/dbraw/zinc/86/86/00/530868600.db2.gz JYUWVCRJHBENGA-HNNXBMFYSA-N 0 0 378.274 1.829 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000185264605 530839249 /nfs/dbraw/zinc/83/92/49/530839249.db2.gz DCAQLFKWOBUBJY-UHFFFAOYSA-N 0 0 392.168 1.017 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000185288866 530839364 /nfs/dbraw/zinc/83/93/64/530839364.db2.gz PXTMOVYFVHHOCY-UHFFFAOYSA-N 0 0 393.241 1.426 10 0 GDAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000104799008 530841066 /nfs/dbraw/zinc/84/10/66/530841066.db2.gz FIILCNXOLLZFOR-AWEZNQCLSA-N 0 0 398.305 1.006 10 0 GDAERN O=C(c1c[nH]nc1-c1ccsc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000188770145 530900782 /nfs/dbraw/zinc/90/07/82/530900782.db2.gz 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CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333276414 532227937 /nfs/dbraw/zinc/22/79/37/532227937.db2.gz XAJDWKOCKJKWGE-MCIONIFRSA-N 0 0 387.527 1.691 10 0 GDAERN C[C@H](NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1cccc(Cl)c1 ZINC000333384976 532232331 /nfs/dbraw/zinc/23/23/31/532232331.db2.gz NZLFISRZBSNJHU-LBPRGKRZSA-N 0 0 386.905 1.030 10 0 GDAERN O=c1c(Br)c(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)cnn1-c1ccccn1 ZINC000333425180 532234748 /nfs/dbraw/zinc/23/47/48/532234748.db2.gz JXBWLLSAGLFFCO-AVGNSLFASA-N 0 0 391.269 1.987 10 0 GDAERN CC(=O)NCCN1CC[C@H]2CN(C(=O)COc3ccccc3)CC[C@H]2CC1=O ZINC000015672872 291106696 /nfs/dbraw/zinc/10/66/96/291106696.db2.gz YMKLBHGVCGFSGL-ROUUACIJSA-N 0 0 387.480 1.289 10 0 biogenic GDAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000333215571 532225721 /nfs/dbraw/zinc/22/57/21/532225721.db2.gz QOAWQXKOLDTMNZ-CVEARBPZSA-N 0 0 383.495 1.374 10 0 GDAERN O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333917648 532256523 /nfs/dbraw/zinc/25/65/23/532256523.db2.gz NXNCGEVIGKBSQR-AXFHLTTASA-N 0 0 383.861 1.302 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404109881 532306076 /nfs/dbraw/zinc/30/60/76/532306076.db2.gz JILCFMOHANRVDH-VHSXEESVSA-N 0 0 381.317 1.570 10 0 GDAERN COc1cccc([C@H](C)C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 ZINC000328634226 206236737 /nfs/dbraw/zinc/23/67/37/206236737.db2.gz TUPAZDNKWUTDRT-SUMWQHHRSA-N 0 0 377.466 1.531 10 0 GDAERN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O ZINC000001576664 206292001 /nfs/dbraw/zinc/29/20/01/206292001.db2.gz SZTWVDLUDLZHBU-RTBURBONSA-N 0 0 384.432 1.340 10 0 GDAERN C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000004933587 206573225 /nfs/dbraw/zinc/57/32/25/206573225.db2.gz DCZIUPPSFPTKIY-XJKSGUPXSA-N 0 0 393.509 1.887 10 0 GDAERN C[C@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000035338961 206643199 /nfs/dbraw/zinc/64/31/99/206643199.db2.gz YNBVECXNWVNMIA-OAHLLOKOSA-N 0 0 383.489 1.533 10 0 GDAERN O=C([C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCc2sccc2C1 ZINC000012711293 206928086 /nfs/dbraw/zinc/92/80/86/206928086.db2.gz PKLUIBIGWKKRFL-INIZCTEOSA-N 0 0 389.521 1.884 10 0 GDAERN Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 ZINC000015728369 207056736 /nfs/dbraw/zinc/05/67/36/207056736.db2.gz AMCCVOHWKGCETQ-UHFFFAOYSA-N 0 0 378.406 1.513 10 0 GDAERN COC1(O[C@H]2[C@H]3OC(C)(C)O[C@@]3(C)[C@H](O)[C@H]3OC(C)(C)O[C@@H]32)CCOCC1 ZINC000015206109 207048525 /nfs/dbraw/zinc/04/85/25/207048525.db2.gz TZEREDFMAIELRX-DKWURSEPSA-N 0 0 388.457 1.330 10 0 GDAERN COCCNC(=O)COc1cc(CSc2nc(C)cc(C)n2)ncc1OC ZINC000015824469 207062136 /nfs/dbraw/zinc/06/21/36/207062136.db2.gz AVHZRWDRTDINHJ-UHFFFAOYSA-N 0 0 392.481 1.931 10 0 GDAERN Nc1nnc(CCCNS(=O)(=O)c2ccc(Br)cc2)s1 ZINC000020201401 207181414 /nfs/dbraw/zinc/18/14/14/207181414.db2.gz VBQOOJRUTIJUKH-UHFFFAOYSA-N 0 0 377.289 1.794 10 0 GDAERN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3-c3oc(N)nc32)C(=O)N1 ZINC000020167488 207182724 /nfs/dbraw/zinc/18/27/24/207182724.db2.gz YRHMOSGRWULWQO-FQEVSTJZSA-N 0 0 397.387 1.424 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)c2sc(S(N)(=O)=O)cc2Cl)cc1 ZINC000028013442 207333323 /nfs/dbraw/zinc/33/33/23/207333323.db2.gz BSYFEYSNTPHLBT-UHFFFAOYSA-N 0 0 394.883 1.840 10 0 GDAERN NS(=O)(=O)c1cc(Br)c(S(=O)(=O)c2ccccc2)s1 ZINC000028092342 207334524 /nfs/dbraw/zinc/33/45/24/207334524.db2.gz XLDMJXRXZPMTJZ-UHFFFAOYSA-N 0 0 382.282 1.991 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000129387745 208101636 /nfs/dbraw/zinc/10/16/36/208101636.db2.gz SUEWVPVAUBMJDY-HNNXBMFYSA-N 0 0 391.497 1.620 10 0 GDAERN CC[C@@H](C)NC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1 ZINC000065295650 136162935 /nfs/dbraw/zinc/16/29/35/136162935.db2.gz PTLHEJJIRVYSPF-OAHLLOKOSA-N 0 0 394.483 1.463 10 0 GDAERN O=S(=O)(c1ccc(Cl)s1)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000275254526 527273820 /nfs/dbraw/zinc/27/38/20/527273820.db2.gz HAFGLOIOADSYRS-CYBMUJFWSA-N 0 0 375.859 1.944 10 0 GDAERN CCCc1cc(N2CCN(C(=O)COc3ccccc3)CC2)nc2nncn21 ZINC000065312099 535397347 /nfs/dbraw/zinc/39/73/47/535397347.db2.gz ZYYJPJVANGNMJL-UHFFFAOYSA-N 0 0 380.452 1.804 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccc2nonc21)NCc1ccccc1Cl ZINC000003665240 570349901 /nfs/dbraw/zinc/34/99/01/570349901.db2.gz OCEPSUBORJCDEU-UHFFFAOYSA-N 0 0 394.840 1.861 10 0 GDAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc21 ZINC000176743082 570510489 /nfs/dbraw/zinc/51/04/89/570510489.db2.gz KALJEGJEUDWIHK-HNNXBMFYSA-N 0 0 375.454 1.391 10 0 GDAERN O=C(CN1CCN(Cc2ccc(F)cc2)S1(=O)=O)Nc1ccc(F)cc1 ZINC000032933598 570516547 /nfs/dbraw/zinc/51/65/47/570516547.db2.gz CGRNFEQWRTXISC-UHFFFAOYSA-N 0 0 381.404 1.966 10 0 GDAERN Cc1ccc2c(c1)S[C@@H](NC(=O)C(=O)Cc1nc3ccccc3[nH]c1=O)N2 ZINC000048553691 570659713 /nfs/dbraw/zinc/65/97/13/570659713.db2.gz JMFJGSWXUULYGK-LJQANCHMSA-N 0 0 380.429 1.961 10 0 GDAERN CC(C)N1CCn2nc(C(=O)N3CCCC[C@@H]3CCN3CCOCC3)cc2C1 ZINC000065502287 570771027 /nfs/dbraw/zinc/77/10/27/570771027.db2.gz ZIVVFUDCWOHKRS-GOSISDBHSA-N 0 0 389.544 1.824 10 0 GDAERN COCCN(C)c1cnn([C@H]2CCCN(C(=O)c3csnc3C)C2)c(=O)c1 ZINC000583620120 570800412 /nfs/dbraw/zinc/80/04/12/570800412.db2.gz ABQNDOSDOZAVQT-AWEZNQCLSA-N 0 0 391.497 1.568 10 0 GDAERN NC(=O)C1CCN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000006945224 570906327 /nfs/dbraw/zinc/90/63/27/570906327.db2.gz QMSLWMJOZFBAHW-UHFFFAOYSA-N 0 0 378.860 1.302 10 0 GDAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186242254 570943494 /nfs/dbraw/zinc/94/34/94/570943494.db2.gz QKQHSIWTXYAFSR-UHFFFAOYSA-N 0 0 399.476 1.358 10 0 GDAERN CCCn1nccc1NC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000102380736 644598080 /nfs/dbraw/zinc/59/80/80/644598080.db2.gz KBCKJRZEFJVVIB-UHFFFAOYSA-N 0 0 387.259 1.955 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(CCOC)[C@H](C)C2)c1 ZINC000118345854 644652853 /nfs/dbraw/zinc/65/28/53/644652853.db2.gz RHVXNLJMKMJRBM-CYBMUJFWSA-N 0 0 388.917 1.926 10 0 GDAERN CN(Cc1ccccc1Br)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126565227 644720533 /nfs/dbraw/zinc/72/05/33/644720533.db2.gz VIHBCGDSZIPEDA-LBPRGKRZSA-N 0 0 375.288 1.184 10 0 GDAERN CCCC(=O)N[C@H]1CCCN(Cn2cc(I)cn2)C1 ZINC000151461096 644780846 /nfs/dbraw/zinc/78/08/46/644780846.db2.gz XEXNVKCUZFBFKN-LBPRGKRZSA-N 0 0 376.242 1.826 10 0 GDAERN Cc1nn(CN2CCO[C@H](c3nccs3)C2)c(=S)n1CC(=O)N(C)C ZINC000152218613 644786858 /nfs/dbraw/zinc/78/68/58/644786858.db2.gz ANHYLFYLRSVDBV-LBPRGKRZSA-N 0 0 382.515 1.298 10 0 GDAERN Cc1nn(CN2CCN(c3ccc4nncn4n3)CC2)c(C)c1Br ZINC000152601264 644789726 /nfs/dbraw/zinc/78/97/26/644789726.db2.gz NPDFNGHYCMWUKY-UHFFFAOYSA-N 0 0 391.277 1.480 10 0 GDAERN O=C(OC[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)[C@@H]1CNC(=O)C1 ZINC000155260379 644810448 /nfs/dbraw/zinc/81/04/48/644810448.db2.gz LLRIACQFCLOAEK-QWRGUYRKSA-N 0 0 381.226 1.481 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179506152 644933505 /nfs/dbraw/zinc/93/35/05/644933505.db2.gz VFRJORPMGFRKDI-LLVKDONJSA-N 0 0 383.246 1.218 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000193057269 645045595 /nfs/dbraw/zinc/04/55/95/645045595.db2.gz UNEULCNHLBOOOB-DAXOMENPSA-N 0 0 397.269 1.331 10 0 GDAERN O=C(N[C@@H](CO)Cc1ccccc1)c1nn2c(c1Br)OCCC2 ZINC000223789412 645074313 /nfs/dbraw/zinc/07/43/13/645074313.db2.gz LHRUPNBJDOMERH-GFCCVEGCSA-N 0 0 380.242 1.762 10 0 GDAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn3c(c2Br)OCCC3)C1 ZINC000223795220 645074729 /nfs/dbraw/zinc/07/47/29/645074729.db2.gz GHIGOHAFWZLLOX-SNVBAGLBSA-N 0 0 386.246 1.843 10 0 GDAERN CNC(=O)[C@H](NC(=O)/C=C\c1ccc(I)o1)C(C)C ZINC000255226181 645108593 /nfs/dbraw/zinc/10/85/93/645108593.db2.gz SSMOUSWJGZUGNY-SMYYYNMVSA-N 0 0 376.194 1.784 10 0 GDAERN CN1CCO[C@@H]2CCN(C(=O)c3cnn4cc(Br)cnc34)C[C@@H]21 ZINC000328847394 645281779 /nfs/dbraw/zinc/28/17/79/645281779.db2.gz AQKCSLKWKOKLIW-QWHCGFSZSA-N 0 0 380.246 1.037 10 0 GDAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C[C@H]21 ZINC000328870960 645284113 /nfs/dbraw/zinc/28/41/13/645284113.db2.gz IFDCSQUJGWCQTN-OLZOCXBDSA-N 0 0 388.873 1.205 10 0 GDAERN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCn2ccnc2C1 ZINC000329356258 645308584 /nfs/dbraw/zinc/30/85/84/645308584.db2.gz WCJHTPMBSPXUAX-UHFFFAOYSA-N 0 0 380.495 1.314 10 0 GDAERN O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)C1 ZINC000329713216 645324380 /nfs/dbraw/zinc/32/43/80/645324380.db2.gz RFEZYNYHKBYMJL-CJNGLKHVSA-N 0 0 386.901 1.635 10 0 GDAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@H](F)C[C@@H]3CO)s2)CC1 ZINC000372553109 645827805 /nfs/dbraw/zinc/82/78/05/645827805.db2.gz AFTFGOXBJLPLAB-CHWSQXEVSA-N 0 0 390.502 1.714 10 0 GDAERN O=S(=O)(c1cccc(I)c1)N1C[C@@H](F)C[C@@H]1CO ZINC000444274979 647248020 /nfs/dbraw/zinc/24/80/20/647248020.db2.gz AEEATQSWSGVABG-WCBMZHEXSA-N 0 0 385.198 1.385 10 0 GDAERN Cc1csc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)c1 ZINC000516908445 648542502 /nfs/dbraw/zinc/54/25/02/648542502.db2.gz LWOGVVSTABQIOT-BLLLJJGKSA-N 0 0 382.511 1.596 10 0 GDAERN Cc1noc([C@H]2CCN(C(=O)c3c(C)[nH]nc3I)C2)n1 ZINC000897716486 658882919 /nfs/dbraw/zinc/88/29/19/658882919.db2.gz DMZFFQGGVBEEHQ-QMMMGPOBSA-N 0 0 387.181 1.644 10 0 GDAERN CC(C)(C)n1ncc(C(=O)N[C@H]2CCOC[C@H]2O)c1I ZINC000899145781 658987738 /nfs/dbraw/zinc/98/77/38/658987738.db2.gz PPIAVKVLWRPNEU-VHSXEESVSA-N 0 0 393.225 1.122 10 0 GDAERN Cc1nc2n(c1C)CCN(C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC000900777928 659145318 /nfs/dbraw/zinc/14/53/18/659145318.db2.gz WQZATNNMDUCTFX-UHFFFAOYSA-N 0 0 382.251 1.974 10 0 GDAERN CN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693015861 976567405 /nfs/dbraw/zinc/56/74/05/976567405.db2.gz SIJRSNCCGNBWCY-FGTMMUONSA-N 0 0 375.469 1.782 10 0 GDAERN C[C@H]1CN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000715488801 977759534 /nfs/dbraw/zinc/75/95/34/977759534.db2.gz SXIBJLBBTXFFFX-KBAYOESNSA-N 0 0 375.469 1.640 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC000718068951 977941071 /nfs/dbraw/zinc/94/10/71/977941071.db2.gz XLSGODSTQCNMFP-OAHLLOKOSA-N 0 0 378.454 1.297 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC000718068947 977941155 /nfs/dbraw/zinc/94/11/55/977941155.db2.gz XLSGODSTQCNMFP-HNNXBMFYSA-N 0 0 378.454 1.297 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000166884905 530583389 /nfs/dbraw/zinc/58/33/89/530583389.db2.gz OYRLHPAQUHGPPP-JTQLQIEISA-N 0 0 390.184 1.403 10 0 GDAERN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCN2CCCC[C@H]2C1 ZINC000162152733 530566759 /nfs/dbraw/zinc/56/67/59/530566759.db2.gz HMNPKBSVCPHXBL-ZDUSSCGKSA-N 0 0 394.273 1.992 10 0 GDAERN O=C(CCNC(=O)c1cccs1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000021497414 530570643 /nfs/dbraw/zinc/57/06/43/530570643.db2.gz ADCDXOMWDQBJTH-CYBMUJFWSA-N 0 0 378.475 1.903 10 0 GDAERN CN(C(=O)c1csc(S(C)(=O)=O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000163162754 530573717 /nfs/dbraw/zinc/57/37/17/530573717.db2.gz UTDRFFPWSGLCDS-ZDUSSCGKSA-N 0 0 380.495 1.683 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000163427706 530575294 /nfs/dbraw/zinc/57/52/94/530575294.db2.gz CXKOVOJQDKDNRF-JTQLQIEISA-N 0 0 397.254 1.839 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000171184004 530595159 /nfs/dbraw/zinc/59/51/59/530595159.db2.gz YNEKMBRRROWZHT-VXGBXAGGSA-N 0 0 383.242 1.964 10 0 GDAERN O[C@@H](COc1cccc(Br)c1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000171511147 530600191 /nfs/dbraw/zinc/60/01/91/530600191.db2.gz MJNNATLJUXFKBY-WBVHZDCISA-N 0 0 396.285 1.786 10 0 GDAERN Cc1nc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n[nH]1 ZINC000171548014 530600574 /nfs/dbraw/zinc/60/05/74/530600574.db2.gz XDHGJCGOGCSXDC-NSHDSACASA-N 0 0 383.861 1.806 10 0 GDAERN O=S(=O)(NCc1cccnc1-n1cncn1)c1cnc(Cl)c(Cl)c1 ZINC000172599699 530615372 /nfs/dbraw/zinc/61/53/72/530615372.db2.gz VVKKQMRAUATMNX-UHFFFAOYSA-N 0 0 385.236 1.843 10 0 GDAERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)C2)c1 ZINC000171898254 530604995 /nfs/dbraw/zinc/60/49/95/530604995.db2.gz TVLRLEMXOAXFAM-GFCCVEGCSA-N 0 0 383.499 1.447 10 0 GDAERN O=C(Nc1cc2ccc(Br)cn2n1)N1CCN2C(=O)NC[C@H]2C1 ZINC000170616932 530586851 /nfs/dbraw/zinc/58/68/51/530586851.db2.gz ZYGOQVLPIHJEOP-NSHDSACASA-N 0 0 379.218 1.338 10 0 GDAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cnc(Cl)c(C)c3)CC2)no1 ZINC000173826421 530637590 /nfs/dbraw/zinc/63/75/90/530637590.db2.gz HZNPWODQVJSKSH-UHFFFAOYSA-N 0 0 385.877 1.631 10 0 GDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(Cl)s3)C2=O)n(C)n1 ZINC000174042271 530642415 /nfs/dbraw/zinc/64/24/15/530642415.db2.gz HDDQHAKXZNRUCI-JTQLQIEISA-N 0 0 388.902 1.917 10 0 GDAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000172981834 530620193 /nfs/dbraw/zinc/62/01/93/530620193.db2.gz ZPHGFBVSXMIGIC-OLZOCXBDSA-N 0 0 393.962 1.873 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1CCCn2ncnc21 ZINC000175822569 530671006 /nfs/dbraw/zinc/67/10/06/530671006.db2.gz FUROTEAQJONTRW-LBPRGKRZSA-N 0 0 378.230 1.422 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049940813 530674596 /nfs/dbraw/zinc/67/45/96/530674596.db2.gz IDJXGHHQCBXOEQ-SSDOTTSWSA-N 0 0 380.754 1.813 10 0 GDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1ccccc1Br ZINC000176569252 530686210 /nfs/dbraw/zinc/68/62/10/530686210.db2.gz SXOPDBHTBMOQGO-JOCHJYFZSA-N 0 0 386.275 1.904 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1N1CCOCC1 ZINC000176992173 530695613 /nfs/dbraw/zinc/69/56/13/530695613.db2.gz VGJCGMJFIYYRHK-OLZOCXBDSA-N 0 0 384.889 1.329 10 0 GDAERN CCn1ccnc1C[S@@](=O)c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000177292962 530700448 /nfs/dbraw/zinc/70/04/48/530700448.db2.gz GYFPWOPRSMWTCH-XMMPIXPASA-N 0 0 382.511 1.780 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CCN1C[C@@H](C)O ZINC000177617048 530707074 /nfs/dbraw/zinc/70/70/74/530707074.db2.gz PYBFIEAEKNDHKH-DOMZBBRYSA-N 0 0 398.301 1.691 10 0 GDAERN CS(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1Br ZINC000179497497 530743040 /nfs/dbraw/zinc/74/30/40/530743040.db2.gz DAZBKLACXCTHPH-GFCCVEGCSA-N 0 0 387.299 1.773 10 0 GDAERN Cc1nc(C)c(S(=O)(=O)NC[C@H](O)CN2CCc3ccccc3C2)s1 ZINC000178588468 530723158 /nfs/dbraw/zinc/72/31/58/530723158.db2.gz ARNXYDBUGUERGD-INIZCTEOSA-N 0 0 381.523 1.457 10 0 GDAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCNC(=O)C1 ZINC000057199835 530723843 /nfs/dbraw/zinc/72/38/43/530723843.db2.gz KFKLFWUQBVTPHB-LBPRGKRZSA-N 0 0 381.274 1.417 10 0 GDAERN CC(C)[C@@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000178865830 530729153 /nfs/dbraw/zinc/72/91/53/530729153.db2.gz UIWZWDKWWPSRNK-HNNXBMFYSA-N 0 0 392.880 1.719 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C ZINC000180123979 530758855 /nfs/dbraw/zinc/75/88/55/530758855.db2.gz MBKMRMGIFCRUFK-NXEZZACHSA-N 0 0 375.803 1.470 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Cl)CCO2)[nH]1 ZINC000180225486 530760944 /nfs/dbraw/zinc/76/09/44/530760944.db2.gz FPNSDQLOPBMSRT-NSHDSACASA-N 0 0 384.223 1.959 10 0 GDAERN CC(=O)c1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)ccc1Br ZINC000180296562 530763214 /nfs/dbraw/zinc/76/32/14/530763214.db2.gz SFZJLRVYEFQOBA-JTQLQIEISA-N 0 0 399.270 1.537 10 0 GDAERN COc1cc(C)c(S(=O)(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)cc1C ZINC000180722249 530770984 /nfs/dbraw/zinc/77/09/84/530770984.db2.gz SPSYDCNDJLFAOJ-CYBMUJFWSA-N 0 0 380.388 1.754 10 0 GDAERN C[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCN1S(C)(=O)=O ZINC000181582449 530787702 /nfs/dbraw/zinc/78/77/02/530787702.db2.gz RLMWAOFFNQMOMX-BBRMVZONSA-N 0 0 376.906 1.183 10 0 GDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)[C@H](C)C2 ZINC000180599239 530768749 /nfs/dbraw/zinc/76/87/49/530768749.db2.gz PYQHLSHLFQCLFN-SJKOYZFVSA-N 0 0 380.491 1.854 10 0 GDAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000181702731 530789090 /nfs/dbraw/zinc/78/90/90/530789090.db2.gz SGVLAXYYCSJCCN-JTQLQIEISA-N 0 0 391.316 1.579 10 0 GDAERN NC(=O)c1ccc(=O)n(Cc2nc(-c3cccc(Br)c3)no2)n1 ZINC000102146967 530827564 /nfs/dbraw/zinc/82/75/64/530827564.db2.gz CSPBFUSHTWQROB-UHFFFAOYSA-N 0 0 376.170 1.203 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)c2cc(C)ccc2I)CCO1 ZINC000103107066 530831900 /nfs/dbraw/zinc/83/19/00/530831900.db2.gz UYQPUUPYXOTFFB-GFCCVEGCSA-N 0 0 389.189 1.614 10 0 GDAERN C[C@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000185016598 530835243 /nfs/dbraw/zinc/83/52/43/530835243.db2.gz WLFRIGPBQVWANA-IUODEOHRSA-N 0 0 380.491 1.361 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000088767135 530808648 /nfs/dbraw/zinc/80/86/48/530808648.db2.gz KGDLUFGNSGHTQF-CQSZACIVSA-N 0 0 376.544 1.805 10 0 GDAERN COc1ccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)nc1Br ZINC000183207894 530811242 /nfs/dbraw/zinc/81/12/42/530811242.db2.gz YMBBDALHZYADEJ-NSHDSACASA-N 0 0 382.218 1.493 10 0 GDAERN C[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183347794 530813325 /nfs/dbraw/zinc/81/33/25/530813325.db2.gz WLFRIGPBQVWANA-WFASDCNBSA-N 0 0 380.491 1.361 10 0 GDAERN O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000101573194 530824866 /nfs/dbraw/zinc/82/48/66/530824866.db2.gz CZIOTLRRYFUCLV-UHFFFAOYSA-N 0 0 388.421 1.856 10 0 GDAERN Cc1ccc(CS(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1F ZINC000184202297 530825497 /nfs/dbraw/zinc/82/54/97/530825497.db2.gz MCAFSCHOJFXYGH-HNNXBMFYSA-N 0 0 390.502 1.464 10 0 GDAERN CC(C)(C)OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000107455734 530854084 /nfs/dbraw/zinc/85/40/84/530854084.db2.gz VQTADYKNQADHEM-HNNXBMFYSA-N 0 0 390.933 1.822 10 0 GDAERN O=C(Nc1ccsc1Cl)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000186796301 530863398 /nfs/dbraw/zinc/86/33/98/530863398.db2.gz QHZVALPBRAAUDK-UHFFFAOYSA-N 0 0 382.873 1.935 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3cncc(Br)c3)CC2)cn1 ZINC000109658177 530863544 /nfs/dbraw/zinc/86/35/44/530863544.db2.gz PRJRLPHMUJJTML-UHFFFAOYSA-N 0 0 378.274 1.926 10 0 GDAERN Cc1cc(Br)cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000187357868 530871426 /nfs/dbraw/zinc/87/14/26/530871426.db2.gz MZKDPMZFOYMKFP-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1ccc(I)c(C(=O)N2CCCN(C(N)=O)CC2)c1 ZINC000104380221 530838873 /nfs/dbraw/zinc/83/88/73/530838873.db2.gz MEIPAUSURAHRLV-UHFFFAOYSA-N 0 0 387.221 1.826 10 0 GDAERN CN1CCO[C@@H](CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000104798245 530841048 /nfs/dbraw/zinc/84/10/48/530841048.db2.gz WECGAJLDAMGSRF-BBRMVZONSA-N 0 0 398.301 1.863 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(F)cc1I ZINC000188877306 530903578 /nfs/dbraw/zinc/90/35/78/530903578.db2.gz WMWOOJDFAIDZAD-MRVPVSSYSA-N 0 0 376.169 1.781 10 0 GDAERN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)n[nH]1 ZINC000189173357 530909136 /nfs/dbraw/zinc/90/91/36/530909136.db2.gz NDXLGHLRBCEFEY-UHFFFAOYSA-N 0 0 385.287 1.992 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(Br)c(F)cc1F ZINC000189155731 530909313 /nfs/dbraw/zinc/90/93/13/530909313.db2.gz XCRXITVBRLFUDN-SECBINFHSA-N 0 0 394.216 1.542 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000188083990 530884384 /nfs/dbraw/zinc/88/43/84/530884384.db2.gz CROGJFDUAVMRMW-SNVBAGLBSA-N 0 0 379.873 1.624 10 0 GDAERN O=S(=O)(/C=C/c1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000113298906 530889157 /nfs/dbraw/zinc/88/91/57/530889157.db2.gz NMZXNNCNPAFIBJ-YBJDMEARSA-N 0 0 383.271 1.946 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000188224069 530889283 /nfs/dbraw/zinc/88/92/83/530889283.db2.gz WDPOAGIGUOKLNT-OAHLLOKOSA-N 0 0 390.571 1.962 10 0 GDAERN O=C(c1ccncc1I)N1CCC(N2CCCC2=O)CC1 ZINC000119820725 530931781 /nfs/dbraw/zinc/93/17/81/530931781.db2.gz GYPIJSCWQJXZQH-UHFFFAOYSA-N 0 0 399.232 1.913 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(N)=O ZINC000189535750 530915577 /nfs/dbraw/zinc/91/55/77/530915577.db2.gz BNWBPCYULQZXOD-JTQLQIEISA-N 0 0 378.173 1.292 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)cc(F)c1Br ZINC000190630761 530934271 /nfs/dbraw/zinc/93/42/71/530934271.db2.gz YAEJIIQKGMJRFO-SNVBAGLBSA-N 0 0 394.216 1.542 10 0 GDAERN Cc1nn(C)cc1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000189649583 530918646 /nfs/dbraw/zinc/91/86/46/530918646.db2.gz DBUCPGXVAGCDJS-UHFFFAOYSA-N 0 0 383.499 1.765 10 0 GDAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(C)nc3Cl)CC2)no1 ZINC000189671728 530918878 /nfs/dbraw/zinc/91/88/78/530918878.db2.gz XPEJTMSPBRTXGF-UHFFFAOYSA-N 0 0 385.877 1.631 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Br)cnc1N ZINC000119281394 530924193 /nfs/dbraw/zinc/92/41/93/530924193.db2.gz YQKUVZNVHMMEIN-SECBINFHSA-N 0 0 387.263 1.140 10 0 GDAERN CCc1ccc(CNC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)s1 ZINC000190071740 530924519 /nfs/dbraw/zinc/92/45/19/530924519.db2.gz UKCODZWDAJCHLB-HNNXBMFYSA-N 0 0 382.511 1.725 10 0 GDAERN O=C(c1ccc(Br)o1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120035950 530934867 /nfs/dbraw/zinc/93/48/67/530934867.db2.gz GIGNIBXRHVNFCW-JTQLQIEISA-N 0 0 377.260 1.682 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1=O ZINC000191042918 530942818 /nfs/dbraw/zinc/94/28/18/530942818.db2.gz JPSNSUKTQXPDIE-UHFFFAOYSA-N 0 0 377.750 1.988 10 0 GDAERN CCS(=O)(=O)NCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000120797544 530945439 /nfs/dbraw/zinc/94/54/39/530945439.db2.gz CMWXDWJCVWHRKM-CYBMUJFWSA-N 0 0 381.420 1.789 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000121250466 530952848 /nfs/dbraw/zinc/95/28/48/530952848.db2.gz WJUFDOJCBJOQCK-QWHCGFSZSA-N 0 0 385.452 1.191 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000192238791 530965405 /nfs/dbraw/zinc/96/54/05/530965405.db2.gz BDJIRLJSOLKGSU-IUODEOHRSA-N 0 0 375.252 1.296 10 0 GDAERN CCn1cc([C@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCO2)cn1 ZINC000191716405 530953465 /nfs/dbraw/zinc/95/34/65/530953465.db2.gz MOSBZOGYHOOROK-CQSZACIVSA-N 0 0 395.257 1.427 10 0 GDAERN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000121396748 530955838 /nfs/dbraw/zinc/95/58/38/530955838.db2.gz QBZIHPOTVSLXTM-KCJUWKMLSA-N 0 0 389.271 1.790 10 0 GDAERN NC(=O)C1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000122577119 530973439 /nfs/dbraw/zinc/97/34/39/530973439.db2.gz CFWILSAGDOETII-LBPRGKRZSA-N 0 0 376.284 1.143 10 0 GDAERN CCN(C[C@@H](O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000192789280 530973777 /nfs/dbraw/zinc/97/37/77/530973777.db2.gz GRBDXDIGLRCJBK-ZIAGYGMSSA-N 0 0 392.315 1.698 10 0 GDAERN C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192844036 530974226 /nfs/dbraw/zinc/97/42/26/530974226.db2.gz OYWBOMSXRWETIL-LBPRGKRZSA-N 0 0 381.885 1.954 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Br)cc1Cl ZINC000122606632 530974635 /nfs/dbraw/zinc/97/46/35/530974635.db2.gz TUWXNCRPHXKOOP-NSHDSACASA-N 0 0 377.666 1.525 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000193071551 530979140 /nfs/dbraw/zinc/97/91/40/530979140.db2.gz MDIWAANESKWLOR-HUUCEWRRSA-N 0 0 383.286 1.825 10 0 GDAERN C[C@@H](NC(=O)c1ccncc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000123215102 530980502 /nfs/dbraw/zinc/98/05/02/530980502.db2.gz MGHXRZAPBJRSQJ-SECBINFHSA-N 0 0 384.255 1.983 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000193148612 530980520 /nfs/dbraw/zinc/98/05/20/530980520.db2.gz UEIJGBDZWXCIRO-FVQBIDKESA-N 0 0 396.285 1.126 10 0 GDAERN CN(CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000123475701 530984208 /nfs/dbraw/zinc/98/42/08/530984208.db2.gz FJTIDFLCZMOZHL-CHWSQXEVSA-N 0 0 380.388 1.231 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000193761776 530993049 /nfs/dbraw/zinc/99/30/49/530993049.db2.gz ZGPNYGHPTKNGTF-UKRRQHHQSA-N 0 0 375.252 1.608 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)c2cncc(I)c2)C[C@H]1C ZINC000124222832 530993232 /nfs/dbraw/zinc/99/32/32/530993232.db2.gz MCGSJJMWBLALSS-GHMZBOCLSA-N 0 0 389.237 1.213 10 0 GDAERN C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128064838 531037130 /nfs/dbraw/zinc/03/71/30/531037130.db2.gz NYTIHWTVPBOJIS-QWHCGFSZSA-N 0 0 387.274 1.026 10 0 GDAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128087762 531037445 /nfs/dbraw/zinc/03/74/45/531037445.db2.gz IIJGMUMGLBSQEW-DOTOQJQBSA-N 0 0 399.329 1.827 10 0 GDAERN COC(=O)c1sccc1S(=O)(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128648954 531042948 /nfs/dbraw/zinc/04/29/48/531042948.db2.gz HVIYFYDFMGGEAY-UHFFFAOYSA-N 0 0 383.495 1.912 10 0 GDAERN NC(=O)c1c(F)cc(Br)cc1N1CCO[C@H](Cn2cccn2)C1 ZINC000129183487 531048707 /nfs/dbraw/zinc/04/87/07/531048707.db2.gz FJXIIZVKWYTXQH-NSHDSACASA-N 0 0 383.221 1.789 10 0 GDAERN CN1CCO[C@H](CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000245386233 531056524 /nfs/dbraw/zinc/05/65/24/531056524.db2.gz LJRSYKDSKAIGPU-CHWSQXEVSA-N 0 0 386.279 1.793 10 0 GDAERN Cc1nc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)sc1Br ZINC000245540727 531058480 /nfs/dbraw/zinc/05/84/80/531058480.db2.gz PQODDICIMNYZFG-RKDXNWHRSA-N 0 0 394.316 1.646 10 0 GDAERN CCNS(=O)(=O)[C@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000245545710 531058629 /nfs/dbraw/zinc/05/86/29/531058629.db2.gz VRSZVJFCWLMOGN-UONOGXRCSA-N 0 0 377.304 1.496 10 0 GDAERN CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245735791 531060195 /nfs/dbraw/zinc/06/01/95/531060195.db2.gz ZTFJGVZQVVXQKC-CABCVRRESA-N 0 0 375.441 1.444 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1csc(-c2ccccc2Cl)n1 ZINC000132973455 531086530 /nfs/dbraw/zinc/08/65/30/531086530.db2.gz LQWSDTZTCCPPRB-LBPRGKRZSA-N 0 0 381.885 1.886 10 0 GDAERN Cc1nnc([C@@H]2CN(C[C@@H](O)COc3ccc(Br)cc3)CCO2)[nH]1 ZINC000252480562 531091281 /nfs/dbraw/zinc/09/12/81/531091281.db2.gz BELLZSDGCRYTHU-HIFRSBDPSA-N 0 0 397.273 1.689 10 0 GDAERN O=C(NCCOc1ncc(Cl)cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000134875516 531105004 /nfs/dbraw/zinc/10/50/04/531105004.db2.gz VNGHRHLWUFXSIF-CYBMUJFWSA-N 0 0 389.283 1.883 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc(C)c1F ZINC000134706461 531103189 /nfs/dbraw/zinc/10/31/89/531103189.db2.gz IMNWFYUTQDQLFL-AWEZNQCLSA-N 0 0 390.502 1.631 10 0 GDAERN O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134706901 531103245 /nfs/dbraw/zinc/10/32/45/531103245.db2.gz SHELNRHLDGPDMD-ZDUSSCGKSA-N 0 0 380.438 1.153 10 0 GDAERN O=C([C@H]1COc2ccc(Br)cc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000136088353 531113468 /nfs/dbraw/zinc/11/34/68/531113468.db2.gz PPLKLIJCOFUHJY-HIFRSBDPSA-N 0 0 381.270 1.858 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000154197118 531179084 /nfs/dbraw/zinc/17/90/84/531179084.db2.gz CNFXJOJRTRFKDT-QWHCGFSZSA-N 0 0 398.301 1.610 10 0 GDAERN O=S(=O)(N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000155270852 531198745 /nfs/dbraw/zinc/19/87/45/531198745.db2.gz HPEALQQJKYHNRN-KBPBESRZSA-N 0 0 380.388 1.390 10 0 GDAERN C[C@@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)c1nnc2n1CCCC2 ZINC000156157753 531204225 /nfs/dbraw/zinc/20/42/25/531204225.db2.gz SINWMEPKOXVGKR-SECBINFHSA-N 0 0 395.261 1.958 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)[C@H](C)CO1 ZINC000408007597 531210371 /nfs/dbraw/zinc/21/03/71/531210371.db2.gz IWGHYKLPNBOJFA-MSIPSHCFSA-N 0 0 376.425 1.427 10 0 GDAERN O=C([C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1Cl)N1CCOCC1 ZINC000408028124 531212045 /nfs/dbraw/zinc/21/20/45/531212045.db2.gz QIASDIQOQUBLSO-YPMHNXCESA-N 0 0 394.827 1.439 10 0 GDAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000408032536 531212874 /nfs/dbraw/zinc/21/28/74/531212874.db2.gz YHUMQHWOFPLRDJ-MRXNPFEDSA-N 0 0 390.864 1.617 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000408052394 531214309 /nfs/dbraw/zinc/21/43/09/531214309.db2.gz ULCNYCHHMXDBOA-NSHDSACASA-N 0 0 376.297 1.703 10 0 GDAERN CN1CCOC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000408030362 531213059 /nfs/dbraw/zinc/21/30/59/531213059.db2.gz GKBHHRXUYBQXAE-OAHLLOKOSA-N 0 0 386.279 1.608 10 0 GDAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000408031535 531213233 /nfs/dbraw/zinc/21/32/33/531213233.db2.gz VLGAZWHXEPKABK-MRXNPFEDSA-N 0 0 390.864 1.617 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@H]3C)C2)s1 ZINC000408111757 531220212 /nfs/dbraw/zinc/22/02/12/531220212.db2.gz DWYXWZYVYIZBNI-HIFRSBDPSA-N 0 0 385.555 1.620 10 0 GDAERN C[C@H](c1ncc(Br)cn1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408124725 531220946 /nfs/dbraw/zinc/22/09/46/531220946.db2.gz SFZPURWPYWDJIY-WBMJQRKESA-N 0 0 383.290 1.749 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000408429649 531240168 /nfs/dbraw/zinc/24/01/68/531240168.db2.gz LQJJWROCDIGZRG-DGCLKSJQSA-N 0 0 379.404 1.442 10 0 GDAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)c1 ZINC000408443427 531242970 /nfs/dbraw/zinc/24/29/70/531242970.db2.gz PMOZTRZHYIEZHY-UHFFFAOYSA-N 0 0 389.499 1.026 10 0 GDAERN Cn1ncc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1I ZINC000292983128 531393262 /nfs/dbraw/zinc/39/32/62/531393262.db2.gz FKJXPWPXZZMZPX-MNOVXSKESA-N 0 0 375.210 1.808 10 0 GDAERN Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000416471981 531633246 /nfs/dbraw/zinc/63/32/46/531633246.db2.gz MCPKSRODIVIZSY-LLVKDONJSA-N 0 0 383.861 1.365 10 0 GDAERN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1C[C@@H](F)C[C@@H]1CO ZINC000368423983 531911791 /nfs/dbraw/zinc/91/17/91/531911791.db2.gz GLNQCVFNPCNTPY-NWDGAFQWSA-N 0 0 376.475 1.006 10 0 GDAERN COC[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC(C)(C)O1 ZINC000284326903 531948742 /nfs/dbraw/zinc/94/87/42/531948742.db2.gz AEGIVMNYCFJGTF-NSHDSACASA-N 0 0 391.873 1.926 10 0 GDAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(C)c2I)C1 ZINC000284898247 532004124 /nfs/dbraw/zinc/00/41/24/532004124.db2.gz SCEHEBWZVLWAIV-WDEREUQCSA-N 0 0 375.206 1.821 10 0 GDAERN O=S(=O)(c1cccnc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000301542806 532036128 /nfs/dbraw/zinc/03/61/28/532036128.db2.gz NVQLSSWYUKHCCP-UHFFFAOYSA-N 0 0 376.335 1.544 10 0 GDAERN CS(=O)(=O)N1CCO[C@H](c2nnc([C@@H]3SCCc4ccccc43)o2)C1 ZINC000328629834 532089075 /nfs/dbraw/zinc/08/90/75/532089075.db2.gz IROWLPDXEKNXDB-UONOGXRCSA-N 0 0 381.479 1.781 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1=O ZINC000285577309 532095639 /nfs/dbraw/zinc/09/56/39/532095639.db2.gz BFHXJVKQZGJNDF-CHWSQXEVSA-N 0 0 385.262 1.085 10 0 GDAERN Cc1ccc(N2CCC[C@H](Nc3cnn(C)c(=O)c3Br)C2)nn1 ZINC000329461112 532103729 /nfs/dbraw/zinc/10/37/29/532103729.db2.gz 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O=c1c(Br)c(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cnn1-c1ccccn1 ZINC000333425184 532234829 /nfs/dbraw/zinc/23/48/29/532234829.db2.gz JXBWLLSAGLFFCO-XQQFMLRXSA-N 0 0 391.269 1.987 10 0 GDAERN NC(=O)[C@@H]1COCCN1Cc1cc(Cl)ccc1I ZINC000404942072 532307056 /nfs/dbraw/zinc/30/70/56/532307056.db2.gz QNPBRIDDPAEKQW-NSHDSACASA-N 0 0 380.613 1.631 10 0 GDAERN COc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)c1 ZINC000328610163 206232118 /nfs/dbraw/zinc/23/21/18/206232118.db2.gz GSGLOTPTBZXHGA-OAHLLOKOSA-N 0 0 378.454 1.044 10 0 GDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cn1 ZINC000328618272 206233993 /nfs/dbraw/zinc/23/39/93/206233993.db2.gz DNGWUMPEVYXUIR-ULQDDVLXSA-N 0 0 377.441 1.661 10 0 GDAERN C[C@@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ncccn3)c2)C1=O ZINC000012207223 206869726 /nfs/dbraw/zinc/86/97/26/206869726.db2.gz AMAIXYCCVOFFCD-SECBINFHSA-N 0 0 380.813 1.695 10 0 GDAERN C[C@H]1C(=O)N2CCN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2C(=O)N1C ZINC000014744885 207028654 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Cc1cc(N2CCC[C@H](NC(=O)c3cc(Br)c[nH]3)C2=O)n(C)n1 ZINC000174995219 530657197 /nfs/dbraw/zinc/65/71/97/530657197.db2.gz AXGIVYOOORCFQY-NSHDSACASA-N 0 0 380.246 1.745 10 0 GDAERN CS(=O)(=O)N1CCCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000047456213 530658854 /nfs/dbraw/zinc/65/88/54/530658854.db2.gz HWBUJMVKIDRYLA-VMPITWQZSA-N 0 0 387.299 1.956 10 0 GDAERN Cc1nc(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)cn1C ZINC000175225324 530661077 /nfs/dbraw/zinc/66/10/77/530661077.db2.gz MJQHZSWQSSTWMR-TZMCWYRMSA-N 0 0 384.527 1.530 10 0 GDAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)CC2CCOCC2)c2cccs2)CCO1 ZINC000175221672 530661341 /nfs/dbraw/zinc/66/13/41/530661341.db2.gz ZPOHLNJCGFXCFU-ZBFHGGJFSA-N 0 0 388.555 1.856 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000175586613 530667478 /nfs/dbraw/zinc/66/74/78/530667478.db2.gz NBKZMKCTVLBNJK-GFCCVEGCSA-N 0 0 383.499 1.275 10 0 GDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000175863442 530672002 /nfs/dbraw/zinc/67/20/02/530672002.db2.gz 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/nfs/dbraw/zinc/73/46/54/530734654.db2.gz MTXSYAQFGDDFHI-SNVBAGLBSA-N 0 0 392.200 1.553 10 0 GDAERN CS(=O)(=O)NCCC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000179954580 530753880 /nfs/dbraw/zinc/75/38/80/530753880.db2.gz BLIUNYBSNQEROO-OLZOCXBDSA-N 0 0 380.388 1.279 10 0 GDAERN O=C(C[C@H](O)c1ccc(Cl)cc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000180191655 530760307 /nfs/dbraw/zinc/76/03/07/530760307.db2.gz RBRJATDQVZRYOH-CVEARBPZSA-N 0 0 386.901 1.790 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000180223774 530760667 /nfs/dbraw/zinc/76/06/67/530760667.db2.gz RBZWCWZDTJCMOO-GFCCVEGCSA-N 0 0 394.229 1.414 10 0 GDAERN Cc1ncsc1CN(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000066407558 530762136 /nfs/dbraw/zinc/76/21/36/530762136.db2.gz XAPGLOWTQCYHDP-NSHDSACASA-N 0 0 378.479 1.537 10 0 GDAERN Cn1c(CS(=O)(=O)c2nncn2-c2cccc(Cl)c2)nnc1C1CC1 ZINC000179621858 530745905 /nfs/dbraw/zinc/74/59/05/530745905.db2.gz NWGYUWYHIXVUAZ-UHFFFAOYSA-N 0 0 378.845 1.901 10 0 GDAERN O=S(=O)(Cc1ccc(Cl)cc1Cl)NC[C@H](O)CN1CCOCC1 ZINC000181708418 530789187 /nfs/dbraw/zinc/78/91/87/530789187.db2.gz IVKGPOWDZJCJNU-ZDUSSCGKSA-N 0 0 383.297 1.106 10 0 GDAERN C[C@@H](CNC(=O)NCCOc1ccc(Br)cc1)N1CCOCC1 ZINC000068601146 530790282 /nfs/dbraw/zinc/79/02/82/530790282.db2.gz LCOAJVWCRWLWET-ZDUSSCGKSA-N 0 0 386.290 1.848 10 0 GDAERN CCCC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000101925662 530827024 /nfs/dbraw/zinc/82/70/24/530827024.db2.gz MWHNXLYAIITUPP-LBPRGKRZSA-N 0 0 376.910 1.699 10 0 GDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000184686403 530830761 /nfs/dbraw/zinc/83/07/61/530830761.db2.gz FHCWVNJJFSQBQA-VIFPVBQESA-N 0 0 375.223 1.473 10 0 GDAERN COc1cc(/C=C/C(=O)NC[C@H]2CN(C)CCO2)cc(Br)c1O ZINC000183514047 530816304 /nfs/dbraw/zinc/81/63/04/530816304.db2.gz SYUOZTKKWYKRGX-PCAWENJQSA-N 0 0 385.258 1.623 10 0 GDAERN O=C(NCC(F)(F)CO)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000186072021 530851066 /nfs/dbraw/zinc/85/10/66/530851066.db2.gz 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/nfs/dbraw/zinc/87/66/53/530876653.db2.gz ZJWRBNJZEPYXQR-BBRMVZONSA-N 0 0 380.491 1.552 10 0 GDAERN COc1cc(Br)ccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187854648 530879608 /nfs/dbraw/zinc/87/96/08/530879608.db2.gz GKIISDUTBGRIDS-UHFFFAOYSA-N 0 0 382.258 1.878 10 0 GDAERN COc1cc(Cl)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1Cl ZINC000187934038 530881073 /nfs/dbraw/zinc/88/10/73/530881073.db2.gz UURPLKHTBWLWTQ-UHFFFAOYSA-N 0 0 379.265 1.901 10 0 GDAERN O=C(c1ccncc1I)N1CCC(Cn2cncn2)CC1 ZINC000188145696 530886619 /nfs/dbraw/zinc/88/66/19/530886619.db2.gz RYMVHYIBANLXRJ-UHFFFAOYSA-N 0 0 397.220 1.830 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115608 530916373 /nfs/dbraw/zinc/91/63/73/530916373.db2.gz KVNQMRBCBIGGHY-ZDUSSCGKSA-N 0 0 384.274 1.451 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000189703322 530919369 /nfs/dbraw/zinc/91/93/69/530919369.db2.gz QRBITLPIWJSHML-WBMJQRKESA-N 0 0 376.881 1.961 10 0 GDAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000191940408 530957483 /nfs/dbraw/zinc/95/74/83/530957483.db2.gz HVRKWICGOUWMJY-UHFFFAOYSA-N 0 0 388.965 1.892 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000121744881 530961043 /nfs/dbraw/zinc/96/10/43/530961043.db2.gz KMSXIPLOHYJODC-GFCCVEGCSA-N 0 0 380.246 1.090 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)c3cc(Br)nn3C)CC2)s1 ZINC000192094539 530961886 /nfs/dbraw/zinc/96/18/86/530961886.db2.gz GPECBYCDPJBUET-UHFFFAOYSA-N 0 0 384.303 1.906 10 0 GDAERN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120112774 530935833 /nfs/dbraw/zinc/93/58/33/530935833.db2.gz ACVQJYZIMMABJM-INWMFGNUSA-N 0 0 386.901 1.485 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000190747636 530936239 /nfs/dbraw/zinc/93/62/39/530936239.db2.gz GSSNPQDXWCZSSL-QMMMGPOBSA-N 0 0 393.079 1.667 10 0 GDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000191374164 530947645 /nfs/dbraw/zinc/94/76/45/530947645.db2.gz HONHUYFVGCJLAP-UHFFFAOYSA-N 0 0 376.829 1.666 10 0 GDAERN C[C@H]1COC[C@H](C)N1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000120974072 530948692 /nfs/dbraw/zinc/94/86/92/530948692.db2.gz ZYGHWRQDQCTQQH-RYUDHWBXSA-N 0 0 384.274 1.613 10 0 GDAERN Cc1csc(C(=O)N[C@@H]2CCc3ncnn3C2)c1I ZINC000191601054 530950810 /nfs/dbraw/zinc/95/08/10/530950810.db2.gz BQLJRQYJSDJEKI-MRVPVSSYSA-N 0 0 388.234 1.997 10 0 GDAERN C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000122653679 530974386 /nfs/dbraw/zinc/97/43/86/530974386.db2.gz IPLIIJOWBJZNJJ-CZUORRHYSA-N 0 0 385.302 1.437 10 0 GDAERN Cc1nc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000192922138 530975766 /nfs/dbraw/zinc/97/57/66/530975766.db2.gz JJLVPMCYBVDWBT-GFCCVEGCSA-N 0 0 399.289 1.054 10 0 GDAERN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122141762 530967724 /nfs/dbraw/zinc/96/77/24/530967724.db2.gz OTVJNKNQORDQHF-CHWSQXEVSA-N 0 0 390.502 1.477 10 0 GDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)o1 ZINC000123539210 530985088 /nfs/dbraw/zinc/98/50/88/530985088.db2.gz KCXTWXOWABTGBR-VIFPVBQESA-N 0 0 382.214 1.865 10 0 GDAERN CCn1cc(C2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)cn1 ZINC000124139602 530991758 /nfs/dbraw/zinc/99/17/58/530991758.db2.gz QFDWEFCRSUXCIZ-UHFFFAOYSA-N 0 0 382.511 1.649 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)CCO2)[nH]1 ZINC000193779263 530992745 /nfs/dbraw/zinc/99/27/45/530992745.db2.gz VGEFCEIYMUPTLT-VIFPVBQESA-N 0 0 380.323 1.432 10 0 GDAERN Cc1csc([C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)CCO2)n1 ZINC000193953129 530996399 /nfs/dbraw/zinc/99/63/99/530996399.db2.gz MCUYGUMRAPLUMV-SNVBAGLBSA-N 0 0 376.891 1.909 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1Br ZINC000123647539 530986319 /nfs/dbraw/zinc/98/63/19/530986319.db2.gz PSQVHONEORFDAK-LBPRGKRZSA-N 0 0 393.278 1.730 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000193572457 530989783 /nfs/dbraw/zinc/98/97/83/530989783.db2.gz WXJRHAVMXZZEAB-TURKWSHLSA-N 0 0 387.249 1.617 10 0 GDAERN C[C@@H](O)CCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000125792706 531010835 /nfs/dbraw/zinc/01/08/35/531010835.db2.gz WOBZAXOFZNWSNV-KGLIPLIRSA-N 0 0 388.917 1.970 10 0 GDAERN NS(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2c2nccs2)c1 ZINC000195366035 531022156 /nfs/dbraw/zinc/02/21/56/531022156.db2.gz QIIDKCYQWOFHNW-CQSZACIVSA-N 0 0 380.495 1.956 10 0 GDAERN CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000229037721 531033598 /nfs/dbraw/zinc/03/35/98/531033598.db2.gz FEQHEWCLKSBAAQ-ZQIUZPCESA-N 0 0 391.555 1.611 10 0 GDAERN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCS[C@@H](C)C1 ZINC000246077729 531062914 /nfs/dbraw/zinc/06/29/14/531062914.db2.gz CZBKDEPCAOWDLP-VHSXEESVSA-N 0 0 375.416 1.984 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)[C@@H](C)CO1 ZINC000246107371 531063731 /nfs/dbraw/zinc/06/37/31/531063731.db2.gz HXBUFIOJTXMLOP-ZOWXZIJZSA-N 0 0 377.457 1.511 10 0 GDAERN C[C@H]1COC[C@H](C)N1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000130869211 531064454 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COc1cc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)ccc1Br ZINC000128834372 531044995 /nfs/dbraw/zinc/04/49/95/531044995.db2.gz HXINOBWNJDVDEE-JSGCOSHPSA-N 0 0 391.287 1.161 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000129457310 531051293 /nfs/dbraw/zinc/05/12/93/531051293.db2.gz GDAALKYMIRGRQJ-VIFPVBQESA-N 0 0 376.360 1.655 10 0 GDAERN C[C@@](O)(CN1CCO[C@@H](c2nccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000245614303 531058873 /nfs/dbraw/zinc/05/88/73/531058873.db2.gz XGDVMMBURHTGTB-NVXWUHKLSA-N 0 0 382.507 1.828 10 0 GDAERN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)[C@H](C)CO ZINC000245641304 531059277 /nfs/dbraw/zinc/05/92/77/531059277.db2.gz HUWPMWZDLBHHDH-MCIONIFRSA-N 0 0 388.917 1.874 10 0 GDAERN Cn1c2nnc(CN3CCS[C@H]4COCC[C@H]43)n2c2ccsc2c1=O ZINC000247342174 531074314 /nfs/dbraw/zinc/07/43/14/531074314.db2.gz XQBXYSIWNSPIRR-PWSUYJOCSA-N 0 0 377.495 1.349 10 0 GDAERN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CC[C@@H](CO)C1 ZINC000247962264 531077230 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/nfs/dbraw/zinc/07/05/08/531070508.db2.gz CJSINVAPRUOTSV-STQMWFEESA-N 0 0 398.301 1.691 10 0 GDAERN NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000246937032 531071352 /nfs/dbraw/zinc/07/13/52/531071352.db2.gz QOYRUJCOFDFSQL-SWLSCSKDSA-N 0 0 397.248 1.712 10 0 GDAERN C[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nnc2n1CCCC2 ZINC000135246340 531107853 /nfs/dbraw/zinc/10/78/53/531107853.db2.gz DHMKNABVZLWVCO-NSHDSACASA-N 0 0 383.499 1.222 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)CCO2)[nH]1 ZINC000136434073 531114939 /nfs/dbraw/zinc/11/49/39/531114939.db2.gz SWSVBHOVKQBPNU-TZMCWYRMSA-N 0 0 393.241 1.952 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2I)C1 ZINC000137323985 531117375 /nfs/dbraw/zinc/11/73/75/531117375.db2.gz QLRODWQQYCSCDA-CYBMUJFWSA-N 0 0 386.233 1.961 10 0 GDAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)n1 ZINC000151920642 531144026 /nfs/dbraw/zinc/14/40/26/531144026.db2.gz DTBHTFWUYUOUCH-ZIAGYGMSSA-N 0 0 386.543 1.622 10 0 GDAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000263441364 531144318 /nfs/dbraw/zinc/14/43/18/531144318.db2.gz PVANDTZBQYCFEG-ZFWWWQNUSA-N 0 0 391.251 1.271 10 0 GDAERN COc1ccc(C(=O)N2CCOC[C@H]2c2nc(C)no2)nc1Br ZINC000152782024 531156966 /nfs/dbraw/zinc/15/69/66/531156966.db2.gz LGRRNRLWKIOTAO-JTQLQIEISA-N 0 0 383.202 1.758 10 0 GDAERN CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000263858415 531157898 /nfs/dbraw/zinc/15/78/98/531157898.db2.gz ULUDQJPQZGDQQN-INIZCTEOSA-N 0 0 387.523 1.746 10 0 GDAERN C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000153529003 531168941 /nfs/dbraw/zinc/16/89/41/531168941.db2.gz AKXDWCYFQNYPFP-GFCCVEGCSA-N 0 0 384.274 1.016 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000154395533 531183661 /nfs/dbraw/zinc/18/36/61/531183661.db2.gz XQQZWAVWVKUZAC-CQSZACIVSA-N 0 0 392.257 1.979 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000155212524 531197268 /nfs/dbraw/zinc/19/72/68/531197268.db2.gz 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Cc1cccc(I)c1C(=O)N1CCN2C(=O)N=NC2C1 ZINC000408418563 531239274 /nfs/dbraw/zinc/23/92/74/531239274.db2.gz ZJWNPEUGQMDPNQ-UHFFFAOYSA-N 0 0 384.177 1.553 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CCS1 ZINC000408429934 531240718 /nfs/dbraw/zinc/24/07/18/531240718.db2.gz NJTBAFMENBBQQX-QMMMGPOBSA-N 0 0 379.301 1.674 10 0 GDAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cccc(I)c1 ZINC000443155138 531386128 /nfs/dbraw/zinc/38/61/28/531386128.db2.gz KOMRLBFCIIYYRW-NEPJUHHUSA-N 0 0 381.235 1.873 10 0 GDAERN O=S(=O)(N[C@H]1CCCC[C@H]1O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000443154833 531386524 /nfs/dbraw/zinc/38/65/24/531386524.db2.gz HTJKVSGTJFGNSY-JKSUJKDBSA-N 0 0 388.511 1.053 10 0 GDAERN CC(C)C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000292950180 531391194 /nfs/dbraw/zinc/39/11/94/531391194.db2.gz BYUHYSREWMLLCW-SNVBAGLBSA-N 0 0 382.408 1.364 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)c2cnn(C)c2I)C1 ZINC000293237069 531410734 /nfs/dbraw/zinc/41/07/34/531410734.db2.gz SMNJQLPDHQOKLZ-MRVPVSSYSA-N 0 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532108994 /nfs/dbraw/zinc/10/89/94/532108994.db2.gz YRPHTXJDKTZESV-KRWDZBQOSA-N 0 0 399.260 1.846 10 0 GDAERN Cc1cn2c(n1)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)CCC2 ZINC000332675935 532205295 /nfs/dbraw/zinc/20/52/95/532205295.db2.gz BZUKJKMXVAKKPT-CHWSQXEVSA-N 0 0 382.511 1.614 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000333003136 532214650 /nfs/dbraw/zinc/21/46/50/532214650.db2.gz WOMCEPBENXKNES-SQWLQELKSA-N 0 0 376.544 1.362 10 0 GDAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000333205762 532225315 /nfs/dbraw/zinc/22/53/15/532225315.db2.gz BSPIBNQLOCZPFR-HEHGZKQESA-N 0 0 396.285 1.126 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N1CCOCC2(CCC2)C1 ZINC000333657407 532243897 /nfs/dbraw/zinc/24/38/97/532243897.db2.gz LNMJKXXOWCLRMW-UHFFFAOYSA-N 0 0 380.246 2.526 10 0 GDAERN O=C(c1cccnc1-n1cc(Br)cn1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000333757649 532248272 /nfs/dbraw/zinc/24/82/72/532248272.db2.gz YYCHVEDMGOPYDL-GDLCADMTSA-N 0 0 377.242 1.873 10 0 GDAERN Cc1nc(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)sc1Br ZINC000333922276 532257305 /nfs/dbraw/zinc/25/73/05/532257305.db2.gz REKYZQXZLKUORP-LPEHRKFASA-N 0 0 381.317 1.996 10 0 GDAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC000333928989 532258202 /nfs/dbraw/zinc/25/82/02/532258202.db2.gz XXZSOADYOMDXSX-BZUAXINKSA-N 0 0 384.885 1.925 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Br)o2)n1 ZINC000431734939 532273733 /nfs/dbraw/zinc/27/37/33/532273733.db2.gz YOBJQUCQCKHZBH-HTQZYQBOSA-N 0 0 378.204 1.230 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404109876 532305677 /nfs/dbraw/zinc/30/56/77/532305677.db2.gz JILCFMOHANRVDH-UWVGGRQHSA-N 0 0 381.317 1.570 10 0 GDAERN [NH3+]CCCC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@H](CCc1ccccc1)C(=O)[O-] ZINC000098092202 209136557 /nfs/dbraw/zinc/13/65/57/209136557.db2.gz FUEMHWCBWYXAOU-KZNAEPCWSA-N 0 0 387.480 1.403 10 0 GDAERN CCCc1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(CC)c2)s1 ZINC000328616865 206232778 /nfs/dbraw/zinc/23/27/78/206232778.db2.gz CEJZARCQDTYAFU-ZDUSSCGKSA-N 0 0 382.511 1.924 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000328612910 206233812 /nfs/dbraw/zinc/23/38/12/206233812.db2.gz QARHOEDQRRGVBW-GFCCVEGCSA-N 0 0 378.414 1.083 10 0 GDAERN CCc1nc(CC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(CC)c2)cs1 ZINC000328628523 206234785 /nfs/dbraw/zinc/23/47/85/206234785.db2.gz NTXYYDXIWGPQRD-CQSZACIVSA-N 0 0 382.511 1.463 10 0 GDAERN [NH3+]C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)CCO1 ZINC000003789403 206293213 /nfs/dbraw/zinc/29/32/13/206293213.db2.gz MVKGRIHKSLEKTE-JTQLQIEISA-N 0 0 379.363 1.477 10 0 GDAERN CCn1c2ccccc2n(CC(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1=O ZINC000186649781 206307672 /nfs/dbraw/zinc/30/76/72/206307672.db2.gz VRUYUHOPNMUPAX-OAHLLOKOSA-N 0 0 388.468 1.220 10 0 GDAERN CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cccnc1OC)CC2 ZINC000014534621 207024126 /nfs/dbraw/zinc/02/41/26/207024126.db2.gz YQXXYMYDORKKKZ-UHFFFAOYSA-N 0 0 383.452 1.645 10 0 GDAERN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2CCOCC2)cc1 ZINC000014956884 207033290 /nfs/dbraw/zinc/03/32/90/207033290.db2.gz NEGZKMKJMOLUFU-LJQANCHMSA-N 0 0 389.496 1.319 10 0 GDAERN COC(=O)[C@H](Cc1ccc(N(CCO)CCO)cc1)NC(=O)OC(C)(C)C ZINC000022052678 207245785 /nfs/dbraw/zinc/24/57/85/207245785.db2.gz JBFUXXJVFIHVIF-INIZCTEOSA-N 0 0 382.457 1.086 10 0 GDAERN CC1CCN(C(=O)COc2ccccc2CN2C[C@@H]([NH3+])C[C@H]2C(=O)[O-])CC1 ZINC000077298870 208039561 /nfs/dbraw/zinc/03/95/61/208039561.db2.gz SNUMMAZSMJBWIM-IRXDYDNUSA-N 0 0 375.469 1.310 10 0 GDAERN CNC(=O)[C@@H]1C[C@@H](Nc2ncccn2)CN1Cc1cnn(-c2ccccc2)c1 ZINC000096135920 208270017 /nfs/dbraw/zinc/27/00/17/208270017.db2.gz OEQQZULDXALYQI-AEFFLSMTSA-N 0 0 377.452 1.463 10 0 GDAERN CC(C)c1ccccc1OCC(=O)Nc1cnn(C)c(=O)c1N1CCOCC1 ZINC000065307228 136162920 /nfs/dbraw/zinc/16/29/20/136162920.db2.gz ULOCKLMBICGVJX-UHFFFAOYSA-N 0 0 386.452 1.758 10 0 GDAERN CCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(C(C)=O)CC3)C2)ncn1 ZINC000065245074 535520977 /nfs/dbraw/zinc/52/09/77/535520977.db2.gz SLTLMNDGNCLUCN-QGZVFWFLSA-N 0 0 388.516 1.596 10 0 GDAERN COCCCNC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928591 536581160 /nfs/dbraw/zinc/58/11/60/536581160.db2.gz YUVKVUPVHVYVSH-OAHLLOKOSA-N 0 0 388.443 1.741 10 0 GDAERN COCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4cccs4)cc3C(=O)N2C1 ZINC000008299655 560208580 /nfs/dbraw/zinc/20/85/80/560208580.db2.gz FTZHXGSMZFWOKD-WFASDCNBSA-N 0 0 385.445 1.713 10 0 biogenic GDAERN CC[C@H](C)NC(=O)c1coc(CN2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000034677119 570294050 /nfs/dbraw/zinc/29/40/50/570294050.db2.gz ONFKXLYVNJQYQS-HOTGVXAUSA-N 0 0 382.505 1.106 10 0 GDAERN COCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1 ZINC000004056360 570356005 /nfs/dbraw/zinc/35/60/05/570356005.db2.gz DLMIXALOGQFICO-MOPGFXCFSA-N 0 0 399.447 1.772 10 0 GDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@@](O)(c4nc(C5CC5)no4)C3)ccc2O1 ZINC000275228328 570688722 /nfs/dbraw/zinc/68/87/22/570688722.db2.gz CVGCMAMRHDYAFQ-VOJFVSQTSA-N 0 0 391.449 1.553 10 0 GDAERN Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cn1 ZINC000189192248 570746799 /nfs/dbraw/zinc/74/67/99/570746799.db2.gz HNZFHFUXYFWECU-FUHWJXTLSA-N 0 0 376.482 1.611 10 0 GDAERN CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1c[nH]c2ccccc21 ZINC000101764654 570833398 /nfs/dbraw/zinc/83/33/98/570833398.db2.gz LVOWOJFIAYMFBD-OAHLLOKOSA-N 0 0 395.419 1.359 10 0 GDAERN Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000024463058 644275079 /nfs/dbraw/zinc/27/50/79/644275079.db2.gz JQOZHQAKVWIMLU-SDNWHVSQSA-N 0 0 380.491 1.864 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108278842 644618559 /nfs/dbraw/zinc/61/85/59/644618559.db2.gz MEBOSVLVPGPAPQ-SNVBAGLBSA-N 0 0 382.454 1.273 10 0 GDAERN O=C(CCn1cc(Br)ccc1=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126909648 644723363 /nfs/dbraw/zinc/72/33/63/644723363.db2.gz LRWJKARTADLKNN-CYBMUJFWSA-N 0 0 394.273 1.531 10 0 GDAERN C[C@@H]1OCC[C@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000135166057 644764356 /nfs/dbraw/zinc/76/43/56/644764356.db2.gz LOKXZUOCUDXXGR-TVQRCGJNSA-N 0 0 381.226 1.729 10 0 GDAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)oc2Br)C1 ZINC000155699722 644815240 /nfs/dbraw/zinc/81/52/40/644815240.db2.gz VDXSXPUOYPLGMV-SECBINFHSA-N 0 0 395.275 1.591 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnc(Br)c3)C2=O)n(C)n1 ZINC000176668563 644911746 /nfs/dbraw/zinc/91/17/46/644911746.db2.gz DCQKMJVPPJYGOG-GFCCVEGCSA-N 0 0 392.257 1.811 10 0 GDAERN CC(=O)c1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)ccc1Br ZINC000180262280 644943402 /nfs/dbraw/zinc/94/34/02/644943402.db2.gz GMDMGHHZGYEIKO-NSHDSACASA-N 0 0 375.288 1.976 10 0 GDAERN CCn1cc([C@@H]2CN(Cn3nc(NCCOC)sc3=S)CCO2)cn1 ZINC000189845196 645016261 /nfs/dbraw/zinc/01/62/61/645016261.db2.gz YTSBCHYRZYWYIN-ZDUSSCGKSA-N 0 0 384.531 1.980 10 0 GDAERN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2nn3c(c2Br)OCCC3)C1 ZINC000223791173 645074739 /nfs/dbraw/zinc/07/47/39/645074739.db2.gz OAUNNPSGLHJGST-NSHDSACASA-N 0 0 399.289 1.805 10 0 GDAERN CN(CC1CC1)S(=O)(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000329682039 645320715 /nfs/dbraw/zinc/32/07/15/645320715.db2.gz SHDLOZKYUWWQRW-UHFFFAOYSA-N 0 0 375.560 1.297 10 0 GDAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000367574031 645604342 /nfs/dbraw/zinc/60/43/42/645604342.db2.gz VDMKOVWUYBASKI-WBAXXEDZSA-N 0 0 393.281 1.492 10 0 GDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cccc(F)c1I ZINC000601732935 652600413 /nfs/dbraw/zinc/60/04/13/652600413.db2.gz DJBPTFJYECGXNQ-JTQLQIEISA-N 0 0 392.212 1.833 10 0 GDAERN COC[C@]1(C(=O)[O-])CN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000711512979 955042436 /nfs/dbraw/zinc/04/24/36/955042436.db2.gz IHQJZGYMDAGHSA-KXBFYZLASA-N 0 0 379.457 1.019 10 0 GDAERN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000716178843 955127945 /nfs/dbraw/zinc/12/79/45/955127945.db2.gz QJBBHUKTKIIVNK-OIISXLGYSA-N 0 0 381.498 1.280 10 0 GDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cn1 ZINC000171431754 530598902 /nfs/dbraw/zinc/59/89/02/530598902.db2.gz RXCPHUSEUPGAKG-CQSZACIVSA-N 0 0 387.458 1.489 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CCS1 ZINC000171582486 530601384 /nfs/dbraw/zinc/60/13/84/530601384.db2.gz ZLGWMBSBYIGHDY-QMMMGPOBSA-N 0 0 379.301 1.674 10 0 GDAERN O=C(NCCOc1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000171869056 530604918 /nfs/dbraw/zinc/60/49/18/530604918.db2.gz OZTSKSMPWDATAK-LBPRGKRZSA-N 0 0 380.246 1.734 10 0 GDAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172005286 530606687 /nfs/dbraw/zinc/60/66/87/530606687.db2.gz YDVYPZMNMKVNSY-CHWSQXEVSA-N 0 0 386.539 1.880 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(I)c[nH]3)CCO2)[nH]1 ZINC000173091709 530622915 /nfs/dbraw/zinc/62/29/15/530622915.db2.gz JPCDSTNFHJFNKC-JTQLQIEISA-N 0 0 387.181 1.260 10 0 GDAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000042852056 530631987 /nfs/dbraw/zinc/63/19/87/530631987.db2.gz FIJCYKSOJBMYFQ-QWRGUYRKSA-N 0 0 377.388 1.721 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000173841611 530638212 /nfs/dbraw/zinc/63/82/12/530638212.db2.gz AZYOPVGEPHILIT-AWEZNQCLSA-N 0 0 383.495 1.448 10 0 GDAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3cccc(Br)c3)CCO2)[nH]1 ZINC000174099811 530643310 /nfs/dbraw/zinc/64/33/10/530643310.db2.gz MJWWINAOHZCHAY-DZGCQCFKSA-N 0 0 397.273 1.689 10 0 GDAERN O=C(c1ncncc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000175094035 530658609 /nfs/dbraw/zinc/65/86/09/530658609.db2.gz HOKOAROISDGXGV-UHFFFAOYSA-N 0 0 380.857 1.418 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176743985 530690090 /nfs/dbraw/zinc/69/00/90/530690090.db2.gz BNNAJJBBJQFOLI-LLVKDONJSA-N 0 0 387.259 1.863 10 0 GDAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2sc(C)nc2C)ncn1 ZINC000176952033 530694766 /nfs/dbraw/zinc/69/47/66/530694766.db2.gz MMZDDGUJLLWYCN-LBPRGKRZSA-N 0 0 382.515 1.539 10 0 GDAERN O=C(CSC[C@H](O)CO)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000177409389 530702604 /nfs/dbraw/zinc/70/26/04/530702604.db2.gz CMJLCEWGEGUXFC-CQSZACIVSA-N 0 0 378.416 1.440 10 0 GDAERN O=C(Nc1ccccc1Br)C(=O)N1CCC(n2cncn2)CC1 ZINC000177424940 530703259 /nfs/dbraw/zinc/70/32/59/530703259.db2.gz ORMDHBVRCIUCLF-UHFFFAOYSA-N 0 0 378.230 1.843 10 0 GDAERN C[C@@H](SC[C@H](O)CO)C(=O)Nc1ccc(I)cc1 ZINC000177442952 530703434 /nfs/dbraw/zinc/70/34/34/530703434.db2.gz IXAPFMNGOLGCEN-LDYMZIIASA-N 0 0 381.235 1.705 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000177638367 530707648 /nfs/dbraw/zinc/70/76/48/530707648.db2.gz GUOLAKNDEVXOFN-FYSMJZIKSA-N 0 0 386.539 1.587 10 0 GDAERN CCN(C(C)=O)c1nc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)cs1 ZINC000178607529 530724306 /nfs/dbraw/zinc/72/43/06/530724306.db2.gz KOCGOVCBFBDTMS-HNNXBMFYSA-N 0 0 386.543 1.516 10 0 GDAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000178962132 530732258 /nfs/dbraw/zinc/73/22/58/530732258.db2.gz VBAJNRNNNBBHJD-SECBINFHSA-N 0 0 391.686 1.701 10 0 GDAERN O=C(NC[C@H]1CN2CCN1CC2)c1ccccc1CSC1=NCCS1 ZINC000178967562 530732952 /nfs/dbraw/zinc/73/29/52/530732952.db2.gz WFIWWVZKFFVHIX-HNNXBMFYSA-N 0 0 376.551 1.752 10 0 GDAERN CS(=O)(=O)CCN(C(=O)C1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000179031580 530733940 /nfs/dbraw/zinc/73/39/40/530733940.db2.gz AIGJQRWIEVBPES-UHFFFAOYSA-N 0 0 384.523 1.636 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000179842611 530751169 /nfs/dbraw/zinc/75/11/69/530751169.db2.gz BKMHGLXWZDIROW-JTQLQIEISA-N 0 0 397.254 1.839 10 0 GDAERN CN(C1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1)S(C)(=O)=O ZINC000065738807 530755548 /nfs/dbraw/zinc/75/55/48/530755548.db2.gz QDWZUKUJFCJEPO-UHFFFAOYSA-N 0 0 384.885 1.998 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C[C@H]1C ZINC000179724319 530748427 /nfs/dbraw/zinc/74/84/27/530748427.db2.gz QUMGBJPGVXCQFG-GFCCVEGCSA-N 0 0 399.289 1.270 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)CC2 ZINC000182002018 530793670 /nfs/dbraw/zinc/79/36/70/530793670.db2.gz ZMCVFTNXHHQTOX-VIFPVBQESA-N 0 0 375.376 1.548 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(Br)cc1F ZINC000184767448 530831737 /nfs/dbraw/zinc/83/17/37/530831737.db2.gz YIZDANAMZNRDNW-GFCCVEGCSA-N 0 0 393.278 1.730 10 0 GDAERN NC(=O)CCNC(=O)c1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000103043202 530831923 /nfs/dbraw/zinc/83/19/23/530831923.db2.gz UHCZYMHANLSUDO-UHFFFAOYSA-N 0 0 380.198 1.900 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000088770819 530808910 /nfs/dbraw/zinc/80/89/10/530808910.db2.gz XLQDCOKQWSEDQA-CYBMUJFWSA-N 0 0 376.544 1.904 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183475675 530815544 /nfs/dbraw/zinc/81/55/44/530815544.db2.gz UYKKTHLWTUGGTQ-SECBINFHSA-N 0 0 393.079 1.667 10 0 GDAERN C[C@H](NC(=O)c1cnn2cc(Br)cnc12)C(=O)N1CCCCC1 ZINC000094125306 530816017 /nfs/dbraw/zinc/81/60/17/530816017.db2.gz VJONUBKHOJLIBN-JTQLQIEISA-N 0 0 380.246 1.623 10 0 GDAERN CC(C)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000101568496 530824485 /nfs/dbraw/zinc/82/44/85/530824485.db2.gz ZWAODYPQKDPCAT-SNVBAGLBSA-N 0 0 388.433 1.850 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000185924422 530848410 /nfs/dbraw/zinc/84/84/10/530848410.db2.gz KXZOPVADEWLKGP-GFCCVEGCSA-N 0 0 387.259 1.863 10 0 GDAERN C[C@H]1CN(C2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)CCO1 ZINC000186513100 530857456 /nfs/dbraw/zinc/85/74/56/530857456.db2.gz VVDKWSUCQRTLCN-LBPRGKRZSA-N 0 0 378.445 1.022 10 0 GDAERN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000187147323 530867543 /nfs/dbraw/zinc/86/75/43/530867543.db2.gz LBGQVZOEJLXVPU-JTQLQIEISA-N 0 0 386.417 1.305 10 0 GDAERN NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000110684677 530869302 /nfs/dbraw/zinc/86/93/02/530869302.db2.gz REOBOCYQSBQCKM-MNOVXSKESA-N 0 0 378.281 1.445 10 0 GDAERN COCC(=O)NC1CN(C(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000185227962 530838403 /nfs/dbraw/zinc/83/84/03/530838403.db2.gz HNFTYQPOWKIGLA-UHFFFAOYSA-N 0 0 385.258 1.364 10 0 GDAERN O=C(c1coc(Br)c1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000104382705 530838475 /nfs/dbraw/zinc/83/84/75/530838475.db2.gz KLIQUZPANBDSLD-UHFFFAOYSA-N 0 0 380.198 1.329 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[C@@H](O)Cc1ccccc1 ZINC000104912404 530841632 /nfs/dbraw/zinc/84/16/32/530841632.db2.gz HEYFCBAEUYCGHY-LBPRGKRZSA-N 0 0 388.898 1.400 10 0 GDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000116070035 530902726 /nfs/dbraw/zinc/90/27/26/530902726.db2.gz QOIDQNVIHLWLCQ-JTQLQIEISA-N 0 0 379.276 1.839 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)c3nc(Br)cs3)C2=O)n(C)n1 ZINC000188896715 530903546 /nfs/dbraw/zinc/90/35/46/530903546.db2.gz IKFADNQIXBZFET-VIFPVBQESA-N 0 0 398.286 1.873 10 0 GDAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)C2)cn1 ZINC000116370828 530904423 /nfs/dbraw/zinc/90/44/23/530904423.db2.gz CRPBUZAADKOFON-NSHDSACASA-N 0 0 387.458 1.141 10 0 GDAERN CCOCCN1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C ZINC000117275484 530911638 /nfs/dbraw/zinc/91/16/38/530911638.db2.gz JCGANZQGPZTZAE-NSHDSACASA-N 0 0 391.253 1.802 10 0 GDAERN COCC(=O)NC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000187713977 530876764 /nfs/dbraw/zinc/87/67/64/530876764.db2.gz IGQAZEPRVIKULG-UHFFFAOYSA-N 0 0 386.779 1.494 10 0 GDAERN O=C(CNC(=O)c1cccs1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112394527 530881027 /nfs/dbraw/zinc/88/10/27/530881027.db2.gz NCKSZGOJFHVSFV-UHFFFAOYSA-N 0 0 377.491 1.914 10 0 GDAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000112551272 530882846 /nfs/dbraw/zinc/88/28/46/530882846.db2.gz YVHRXTURELCCCJ-IUODEOHRSA-N 0 0 378.274 1.734 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000188057879 530883180 /nfs/dbraw/zinc/88/31/80/530883180.db2.gz YSYIIXZRELAPFZ-GFCCVEGCSA-N 0 0 384.274 1.533 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188473896 530894602 /nfs/dbraw/zinc/89/46/02/530894602.db2.gz PRGLSWAPMAIISR-UHFFFAOYSA-N 0 0 384.885 1.874 10 0 GDAERN CC(=O)NC1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000190447878 530930518 /nfs/dbraw/zinc/93/05/18/530930518.db2.gz KCJGZZSERVBUAV-JOCHJYFZSA-N 0 0 387.299 1.684 10 0 GDAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189374253 530911874 /nfs/dbraw/zinc/91/18/74/530911874.db2.gz GOZXIEMLPRTBNY-SECBINFHSA-N 0 0 384.263 1.849 10 0 GDAERN CCOCCN1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1C ZINC000117277203 530912055 /nfs/dbraw/zinc/91/20/55/530912055.db2.gz GOPITHUREZIGSM-LLVKDONJSA-N 0 0 397.277 1.070 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000189352377 530912230 /nfs/dbraw/zinc/91/22/30/530912230.db2.gz OKVWUDJDCNFPGC-IUODEOHRSA-N 0 0 393.241 1.555 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000117522335 530912487 /nfs/dbraw/zinc/91/24/87/530912487.db2.gz UWXWWTJCPQPSCT-ZDUSSCGKSA-N 0 0 398.301 1.875 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CCN1CCOC ZINC000117526885 530913692 /nfs/dbraw/zinc/91/36/92/530913692.db2.gz QWCSCIBIKSMGBD-OAHLLOKOSA-N 0 0 398.301 1.957 10 0 GDAERN O=S(=O)(CCc1cccs1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000189742635 530919976 /nfs/dbraw/zinc/91/99/76/530919976.db2.gz AVBTYTYXTDQFJC-CQSZACIVSA-N 0 0 378.541 1.120 10 0 GDAERN CC(=O)NC1CN(C(=O)NCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000189962800 530922958 /nfs/dbraw/zinc/92/29/58/530922958.db2.gz KYXQPLZWQWDALY-UHFFFAOYSA-N 0 0 383.246 1.226 10 0 GDAERN CCc1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000119226199 530923332 /nfs/dbraw/zinc/92/33/32/530923332.db2.gz WBMVFGIDDIJUDL-BMIGLBTASA-N 0 0 396.264 1.873 10 0 GDAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190092044 530925428 /nfs/dbraw/zinc/92/54/28/530925428.db2.gz DPNCAUMRXVUJFW-LBPRGKRZSA-N 0 0 375.441 1.793 10 0 GDAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000190088993 530925665 /nfs/dbraw/zinc/92/56/65/530925665.db2.gz ONLDOHATFOINCJ-YPMHNXCESA-N 0 0 380.388 1.860 10 0 GDAERN CN1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1=O ZINC000190636338 530934592 /nfs/dbraw/zinc/93/45/92/530934592.db2.gz WVIFROAPHCFZEI-UHFFFAOYSA-N 0 0 378.475 1.885 10 0 GDAERN O=C(NCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)c1cccs1 ZINC000190263735 530927603 /nfs/dbraw/zinc/92/76/03/530927603.db2.gz NIUBJPPABDPXKF-KBPBESRZSA-N 0 0 379.507 1.957 10 0 GDAERN O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(Nc2nccs2)CC1 ZINC000190373446 530928831 /nfs/dbraw/zinc/92/88/31/530928831.db2.gz BNPYCSUIWPIEFY-SNVBAGLBSA-N 0 0 376.404 1.957 10 0 GDAERN CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000120123735 530936276 /nfs/dbraw/zinc/93/62/76/530936276.db2.gz RNDVACAJDNQJAB-GFCCVEGCSA-N 0 0 386.905 1.894 10 0 GDAERN CC(C)(C(=O)NC[C@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000120409694 530940545 /nfs/dbraw/zinc/94/05/45/530940545.db2.gz HQKCDNGABLLCDG-HNNXBMFYSA-N 0 0 385.302 1.536 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1=O ZINC000191038387 530942581 /nfs/dbraw/zinc/94/25/81/530942581.db2.gz VJHOLYMVXWBALU-UHFFFAOYSA-N 0 0 388.649 1.732 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191039319 530942882 /nfs/dbraw/zinc/94/28/82/530942882.db2.gz VUIFHFMOTOTYAS-UHFFFAOYSA-N 0 0 382.258 1.695 10 0 GDAERN O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000121008476 530948948 /nfs/dbraw/zinc/94/89/48/530948948.db2.gz GDYOKYJVMRRTJZ-OAHLLOKOSA-N 0 0 389.315 1.685 10 0 GDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)cn2)cn1 ZINC000193192165 530981075 /nfs/dbraw/zinc/98/10/75/530981075.db2.gz SSXIHEALDCVDKU-GFCCVEGCSA-N 0 0 378.230 1.880 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CCN1CCOC ZINC000193278350 530983737 /nfs/dbraw/zinc/98/37/37/530983737.db2.gz IUJRBNHFUSBGMB-ZDUSSCGKSA-N 0 0 399.289 1.352 10 0 GDAERN CCCc1csc(NC(=O)C(=O)N2CCN(c3cccs3)C(=O)C2)n1 ZINC000193298055 530983820 /nfs/dbraw/zinc/98/38/20/530983820.db2.gz REILIIBHLJDXCS-UHFFFAOYSA-N 0 0 378.479 1.971 10 0 GDAERN COC(=O)c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1Br ZINC000192424509 530968146 /nfs/dbraw/zinc/96/81/46/530968146.db2.gz TUQXDRQPZKCGNG-SECBINFHSA-N 0 0 394.229 1.964 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Br)cn1)CC2 ZINC000193473063 530987510 /nfs/dbraw/zinc/98/75/10/530987510.db2.gz NOBMLJKSQWILPC-SNVBAGLBSA-N 0 0 393.245 1.068 10 0 GDAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)O1 ZINC000123862579 530988420 /nfs/dbraw/zinc/98/84/20/530988420.db2.gz LHJVYXOUHPOAGQ-ABAIWWIYSA-N 0 0 390.864 1.880 10 0 GDAERN CC[C@](O)(CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccc(Br)cc1 ZINC000193540182 530988959 /nfs/dbraw/zinc/98/89/59/530988959.db2.gz IIMHOFONUVFCLY-INMHGKMJSA-N 0 0 399.285 1.145 10 0 GDAERN O=C(CSCc1cc(=O)n2ccsc2n1)N1CCN2CCCC[C@@H]2C1 ZINC000195066210 531014017 /nfs/dbraw/zinc/01/40/17/531014017.db2.gz YCFXOPZSCBLAIM-CQSZACIVSA-N 0 0 378.523 1.686 10 0 GDAERN NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)cc1 ZINC000195346018 531021480 /nfs/dbraw/zinc/02/14/80/531021480.db2.gz LPCVEAZAHXTQEW-LBPRGKRZSA-N 0 0 380.495 1.609 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000195428940 531022428 /nfs/dbraw/zinc/02/24/28/531022428.db2.gz HIYKMOKHHVONEM-VIFPVBQESA-N 0 0 389.840 1.989 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000246695969 531068663 /nfs/dbraw/zinc/06/86/63/531068663.db2.gz ZCDQTURSLKZNBZ-HIFRSBDPSA-N 0 0 388.555 1.668 10 0 GDAERN C[C@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)CCN1S(C)(=O)=O ZINC000245626085 531059189 /nfs/dbraw/zinc/05/91/89/531059189.db2.gz RLMWAOFFNQMOMX-XJKSGUPXSA-N 0 0 376.906 1.183 10 0 GDAERN C[C@H]1COC[C@H](C)N1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000130346851 531059567 /nfs/dbraw/zinc/05/95/67/531059567.db2.gz WLEWOXBMPFQHBM-QWRGUYRKSA-N 0 0 383.242 1.810 10 0 GDAERN COC(=O)C[C@@H]1CN(C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000248540743 531079058 /nfs/dbraw/zinc/07/90/58/531079058.db2.gz BMWVSXYTGPXMSW-BXUZGUMPSA-N 0 0 376.222 1.886 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248719694 531081580 /nfs/dbraw/zinc/08/15/80/531081580.db2.gz DQDYOISXSXKJPX-CYZMBNFOSA-N 0 0 380.242 1.856 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248719696 531081590 /nfs/dbraw/zinc/08/15/90/531081590.db2.gz DQDYOISXSXKJPX-RAIGVLPGSA-N 0 0 380.242 1.856 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000249476991 531087428 /nfs/dbraw/zinc/08/74/28/531087428.db2.gz ULCARYAABDZPEA-VXGBXAGGSA-N 0 0 375.878 1.531 10 0 GDAERN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1 ZINC000252000120 531090365 /nfs/dbraw/zinc/09/03/65/531090365.db2.gz WKQZPKCQJIKEMW-TZMCWYRMSA-N 0 0 388.559 1.348 10 0 GDAERN Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3cccs3)CCO2)o1 ZINC000133601724 531093741 /nfs/dbraw/zinc/09/37/41/531093741.db2.gz UDOPIDJKNVHLRP-CQSZACIVSA-N 0 0 384.479 1.918 10 0 GDAERN O=S(=O)(Cc1cccc(F)c1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134707592 531103349 /nfs/dbraw/zinc/10/33/49/531103349.db2.gz ZNSNGTDNELTCCX-HNNXBMFYSA-N 0 0 376.475 1.155 10 0 GDAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nnc2n1CCCC2 ZINC000135246364 531108085 /nfs/dbraw/zinc/10/80/85/531108085.db2.gz DHMKNABVZLWVCO-LLVKDONJSA-N 0 0 383.499 1.222 10 0 GDAERN C[C@H](NC(=O)c1nc2ncc(Br)cn2n1)c1nnc2n1CCCC2 ZINC000135369187 531108520 /nfs/dbraw/zinc/10/85/20/531108520.db2.gz ISQSPSLFBFVGSO-QMMMGPOBSA-N 0 0 391.233 1.306 10 0 GDAERN COCCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccccc1Br ZINC000152822979 531157529 /nfs/dbraw/zinc/15/75/29/531157529.db2.gz SKQAXESXPWHPTP-LLVKDONJSA-N 0 0 393.303 1.582 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000153879415 531172924 /nfs/dbraw/zinc/17/29/24/531172924.db2.gz AMSWIXOFVXKFGI-GHMZBOCLSA-N 0 0 378.903 1.850 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000154137759 531178626 /nfs/dbraw/zinc/17/86/26/531178626.db2.gz FWZFYSQPIATBQA-LBPRGKRZSA-N 0 0 399.289 1.352 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000154203775 531179460 /nfs/dbraw/zinc/17/94/60/531179460.db2.gz BNCMEMLNYUZBFD-MGPLVRAMSA-N 0 0 390.864 1.894 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000154318645 531181204 /nfs/dbraw/zinc/18/12/04/531181204.db2.gz CXXAZDIUDWXFRR-OAHLLOKOSA-N 0 0 380.286 1.876 10 0 GDAERN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CCCC[C@H]1O ZINC000155582073 531201625 /nfs/dbraw/zinc/20/16/25/531201625.db2.gz LWDHEQZHCLCSEI-BXUZGUMPSA-N 0 0 397.269 1.842 10 0 GDAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000157060875 531205902 /nfs/dbraw/zinc/20/59/02/531205902.db2.gz GDQZMCHTVJJJPG-NSHDSACASA-N 0 0 395.261 1.408 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000158208504 531207811 /nfs/dbraw/zinc/20/78/11/531207811.db2.gz UBEAJCQZSVDASQ-CQSZACIVSA-N 0 0 385.302 1.915 10 0 GDAERN CC1(C)CN(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CCO1 ZINC000408027816 531211987 /nfs/dbraw/zinc/21/19/87/531211987.db2.gz MSUAOQNSXOOPAO-WFASDCNBSA-N 0 0 376.425 1.428 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3c(F)ccc(Br)c3F)CC[C@@H]21 ZINC000408051271 531214450 /nfs/dbraw/zinc/21/44/50/531214450.db2.gz IZQYWSGKEQWNOD-NEPJUHHUSA-N 0 0 388.212 1.894 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCc3c2cccc3Br)C1 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COC(=O)[C@@H]1[C@@H](c2cccc(OC)c2)n2nc(C(F)(F)F)nc2N[C@@]1(C)O ZINC000014358041 207020542 /nfs/dbraw/zinc/02/05/42/207020542.db2.gz RCWWWXJEMMRNLB-RWSFTLGLSA-N 0 0 386.330 1.818 10 0 GDAERN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCSC)c(OC)c1 ZINC000014950255 207033661 /nfs/dbraw/zinc/03/36/61/207033661.db2.gz LIGCGINHIZSELA-MRXNPFEDSA-N 0 0 395.525 1.264 10 0 GDAERN CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 ZINC000015065009 207042760 /nfs/dbraw/zinc/04/27/60/207042760.db2.gz OMAAHBNXYDOWTQ-LJQANCHMSA-N 0 0 383.496 1.165 10 0 GDAERN COc1ccc(CNc2ncc(C(=O)NCCCN3CCOCC3)c(C)n2)cc1 ZINC000015778282 207060515 /nfs/dbraw/zinc/06/05/15/207060515.db2.gz NILMJNCVRBDPIP-UHFFFAOYSA-N 0 0 399.495 1.858 10 0 GDAERN O=C(NCCN1CCOCC1)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1 ZINC000020515062 207201406 /nfs/dbraw/zinc/20/14/06/207201406.db2.gz MYSROGBSWUJHRM-SANMLTNESA-N 0 0 380.441 1.789 10 0 GDAERN CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncn3c(cc4ccccc43)c2=O)C1 ZINC000020862770 207216344 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CN1C(=O)COc2cc(NC(=O)N3CCC(Oc4ncccn4)CC3)ccc21 ZINC000096148866 136184588 /nfs/dbraw/zinc/18/45/88/136184588.db2.gz AZAUGPCVPGEZQZ-UHFFFAOYSA-N 0 0 383.408 1.907 10 0 GDAERN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)CN21)N1CCCCC1 ZINC000015708512 526562366 /nfs/dbraw/zinc/56/23/66/526562366.db2.gz LPRCEILIUUHYDW-OTWHNJEPSA-N 0 0 398.507 1.150 10 0 biogenic GDAERN CCc1nn(CC(=O)NC[C@H]2CCCO2)c(=O)c2cc3c(cccc3OC)n21 ZINC000006749823 570282230 /nfs/dbraw/zinc/28/22/30/570282230.db2.gz ISTZISLCHSXRMQ-CYBMUJFWSA-N 0 0 384.436 1.515 10 0 GDAERN CC(=O)O[C@@H]1[C@@H](C)O[C@@H](Sc2ccccn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004179133 570361561 /nfs/dbraw/zinc/36/15/61/570361561.db2.gz XBKOQNIEZLQWIR-HAULQKHUSA-N 0 0 383.422 1.714 10 0 GDAERN C[C@@H]1CCCN(C(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)C1 ZINC000065113968 570702783 /nfs/dbraw/zinc/70/27/83/570702783.db2.gz JQXAWGRSRCLBSD-GFCCVEGCSA-N 0 0 378.454 1.859 10 0 GDAERN Cc1cccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)c1O ZINC000583624112 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COCCN1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000245788773 645092511 /nfs/dbraw/zinc/09/25/11/645092511.db2.gz ZYNGNHSTIRFTKI-LBPRGKRZSA-N 0 0 391.877 1.898 10 0 GDAERN CN1CCO[C@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000255640519 645111990 /nfs/dbraw/zinc/11/19/90/645111990.db2.gz RYKMRYYZFRIGFU-USEMIUTHSA-N 0 0 376.194 1.344 10 0 GDAERN CN1CCO[C@@H]2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C[C@@H]21 ZINC000328906924 645287896 /nfs/dbraw/zinc/28/78/96/645287896.db2.gz LCSSMRBZKFOTBK-QWHCGFSZSA-N 0 0 383.242 1.723 10 0 GDAERN O=S(=O)(CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000329053912 645294287 /nfs/dbraw/zinc/29/42/87/645294287.db2.gz AKQNRTCOHFWDBO-IINYFYTJSA-N 0 0 398.333 1.886 10 0 GDAERN O=S(=O)(NC1CC1)c1cc(NS(=O)(=O)N2CCCCCC2)ccc1F ZINC000329510993 645314735 /nfs/dbraw/zinc/31/47/35/645314735.db2.gz KGHOEJZSRCAIKF-UHFFFAOYSA-N 0 0 391.490 1.799 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000574784911 651568716 /nfs/dbraw/zinc/56/87/16/651568716.db2.gz XAYXSZFEEBHWEM-GJZGRUSLSA-N 0 0 385.507 1.588 10 0 GDAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1c[nH]nc1I ZINC000897471724 658855736 /nfs/dbraw/zinc/85/57/36/658855736.db2.gz CFXJCTWYWYIXOX-SECBINFHSA-N 0 0 385.209 1.545 10 0 GDAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702620556 977096640 /nfs/dbraw/zinc/09/66/40/977096640.db2.gz UOZDXVVYIGTBPR-SFHVURJKSA-N 0 0 394.449 1.202 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000704151297 977219681 /nfs/dbraw/zinc/21/96/81/977219681.db2.gz IBFBOLYUFHJNLY-OXFYSEKESA-N 0 0 375.469 1.782 10 0 GDAERN O=C([O-])c1nc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000721427563 978105322 /nfs/dbraw/zinc/10/53/22/978105322.db2.gz QVYHRCNULOGOOO-JKSUJKDBSA-N 0 0 387.461 1.957 10 0 GDAERN O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000159206326 530541085 /nfs/dbraw/zinc/54/10/85/530541085.db2.gz ORDLCZRMYBPLSC-LLVKDONJSA-N 0 0 378.376 1.136 10 0 GDAERN C[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000014045675 530559749 /nfs/dbraw/zinc/55/97/49/530559749.db2.gz KRFOSWOSRKIEDG-OIRASMEMSA-N 0 0 380.491 1.704 10 0 GDAERN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000170812514 530589472 /nfs/dbraw/zinc/58/94/72/530589472.db2.gz IOZMYLYELRXLEQ-AWEZNQCLSA-N 0 0 389.315 1.853 10 0 GDAERN C[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171721142 530601639 /nfs/dbraw/zinc/60/16/39/530601639.db2.gz YRABJELMQPBJHE-OLZOCXBDSA-N 0 0 395.301 1.805 10 0 GDAERN Cn1c(=O)oc2cc(S(=O)(=O)N3CCO[C@H](c4nccs4)C3)ccc21 ZINC000171769745 530602846 /nfs/dbraw/zinc/60/28/46/530602846.db2.gz NSBPOLXZTMKSFK-ZDUSSCGKSA-N 0 0 381.435 1.350 10 0 GDAERN O=C(c1ccccc1[N-]S(=O)(=O)C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171804618 530603587 /nfs/dbraw/zinc/60/35/87/530603587.db2.gz NBKXCEXHSKRDGX-NSHDSACASA-N 0 0 377.388 1.868 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000172262146 530611015 /nfs/dbraw/zinc/61/10/15/530611015.db2.gz YAPYKYMLBHMYEW-QMMMGPOBSA-N 0 0 376.269 1.836 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)COc3cccc(Br)c3)CCO2)[nH]1 ZINC000173088296 530622992 /nfs/dbraw/zinc/62/29/92/530622992.db2.gz HYHBGACFWIILJS-ZDUSSCGKSA-N 0 0 381.230 1.855 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)COc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173087091 530623229 /nfs/dbraw/zinc/62/32/29/530623229.db2.gz KWRYXNPJMPGDBH-ZDUSSCGKSA-N 0 0 381.230 1.855 10 0 GDAERN C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000173401797 530630153 /nfs/dbraw/zinc/63/01/53/530630153.db2.gz CLLZXXWTEQMTKE-CZUORRHYSA-N 0 0 386.901 1.293 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)[nH]1 ZINC000173734908 530635394 /nfs/dbraw/zinc/63/53/94/530635394.db2.gz QYAZUMGPTGSTAB-QMMMGPOBSA-N 0 0 378.241 1.577 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000173841625 530638539 /nfs/dbraw/zinc/63/85/39/530638539.db2.gz AZYOPVGEPHILIT-CQSZACIVSA-N 0 0 383.495 1.448 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3)CCO2)[nH]1 ZINC000173837987 530638588 /nfs/dbraw/zinc/63/85/88/530638588.db2.gz FQSROZXKRJIUIG-LBPRGKRZSA-N 0 0 387.259 1.638 10 0 GDAERN Cc1c(C(=O)N2[C@H](C)COC[C@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000176421252 530682982 /nfs/dbraw/zinc/68/29/82/530682982.db2.gz CAKYYXBUDDIUNC-RKDXNWHRSA-N 0 0 391.287 1.654 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccncc3Br)C2=O)n(C)n1 ZINC000178378674 530720370 /nfs/dbraw/zinc/72/03/70/530720370.db2.gz ARPCWCJFQJFNIG-ZDUSSCGKSA-N 0 0 392.257 1.811 10 0 GDAERN Cc1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)sc1Br ZINC000176920466 530693970 /nfs/dbraw/zinc/69/39/70/530693970.db2.gz CWKNYUTYMFQELB-QMMMGPOBSA-N 0 0 377.289 1.704 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177611308 530706892 /nfs/dbraw/zinc/70/68/92/530706892.db2.gz INEMOLYAUWFRQM-NWDGAFQWSA-N 0 0 398.301 1.610 10 0 GDAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177629733 530707121 /nfs/dbraw/zinc/70/71/21/530707121.db2.gz BEBUUURABUYVSU-VIFPVBQESA-N 0 0 394.229 1.119 10 0 GDAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000055312758 530708647 /nfs/dbraw/zinc/70/86/47/530708647.db2.gz WKFJTBGLJDBLSV-KGLIPLIRSA-N 0 0 386.901 1.988 10 0 GDAERN Cc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)s1 ZINC000178696328 530726252 /nfs/dbraw/zinc/72/62/52/530726252.db2.gz LANXJKSFZSSSAL-INIZCTEOSA-N 0 0 381.523 1.800 10 0 GDAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1C[C@@H](C)O ZINC000178814852 530729072 /nfs/dbraw/zinc/72/90/72/530729072.db2.gz VWIIIQHURAXIDE-GHMZBOCLSA-N 0 0 382.313 1.854 10 0 GDAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1-c1cccc(Br)c1 ZINC000180218061 530760699 /nfs/dbraw/zinc/76/06/99/530760699.db2.gz HFVSFINXENGEAG-CQSZACIVSA-N 0 0 393.241 1.270 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000180276100 530762428 /nfs/dbraw/zinc/76/24/28/530762428.db2.gz FDLZFTZWEFCHKX-HNNXBMFYSA-N 0 0 393.237 1.694 10 0 GDAERN CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000066936858 530770005 /nfs/dbraw/zinc/77/00/05/530770005.db2.gz FSTMFGKQEYTNEE-OAHLLOKOSA-N 0 0 375.560 1.536 10 0 GDAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180942035 530774760 /nfs/dbraw/zinc/77/47/60/530774760.db2.gz WALGYWMNLKPMOL-NSHDSACASA-N 0 0 397.678 1.118 10 0 GDAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)cn1C ZINC000181202293 530779298 /nfs/dbraw/zinc/77/92/98/530779298.db2.gz UIMRDHXQWJQVAA-LBPRGKRZSA-N 0 0 382.511 1.752 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Cl)cn1 ZINC000181415210 530783074 /nfs/dbraw/zinc/78/30/74/530783074.db2.gz ZZNPFJIRNMDIPB-OAHLLOKOSA-N 0 0 382.873 1.264 10 0 GDAERN O=C(c1cccc(Br)n1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000180594686 530768953 /nfs/dbraw/zinc/76/89/53/530768953.db2.gz KENRMHOMJITHLA-NSHDSACASA-N 0 0 388.287 1.484 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@H]1C ZINC000182678826 530802835 /nfs/dbraw/zinc/80/28/35/530802835.db2.gz NTYIYWDKLKWAHI-CYBMUJFWSA-N 0 0 378.441 1.672 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCC(n3cncn3)CC2)cnc1Br ZINC000182816225 530805512 /nfs/dbraw/zinc/80/55/12/530805512.db2.gz FJNMDAUDYWWIRW-UHFFFAOYSA-N 0 0 393.245 1.546 10 0 GDAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000184313937 530826978 /nfs/dbraw/zinc/82/69/78/530826978.db2.gz UUDNEGJPKCCFJK-SECBINFHSA-N 0 0 386.417 1.697 10 0 GDAERN C[C@H](C(=O)NCc1ncn(C)n1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000092892914 530812854 /nfs/dbraw/zinc/81/28/54/530812854.db2.gz KFUPSSYAMVLTLN-SSDOTTSWSA-N 0 0 382.207 1.423 10 0 GDAERN CNc1nnc(CC(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)s1 ZINC000183849659 530820524 /nfs/dbraw/zinc/82/05/24/530820524.db2.gz FDRTWKQJZOTHTD-LBPRGKRZSA-N 0 0 381.527 1.682 10 0 GDAERN CNc1nnc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000183849826 530821409 /nfs/dbraw/zinc/82/14/09/530821409.db2.gz AAQSOSNWBFNQIU-RYUDHWBXSA-N 0 0 381.527 1.762 10 0 GDAERN CCCC(=O)NCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000101527982 530824410 /nfs/dbraw/zinc/82/44/10/530824410.db2.gz SCFVPQDMTIYKAL-UHFFFAOYSA-N 0 0 396.285 1.650 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)NCCCCCS(C)(=O)=O)CC2)s1 ZINC000186266289 530854265 /nfs/dbraw/zinc/85/42/65/530854265.db2.gz IUJAJBJRNWXWFX-UHFFFAOYSA-N 0 0 388.559 1.494 10 0 GDAERN C[C@@]1(C(N)=O)CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000186609237 530858771 /nfs/dbraw/zinc/85/87/71/530858771.db2.gz CORMDTAXUNQLFH-LBPRGKRZSA-N 0 0 396.694 1.916 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N1CCC(Nc2cccnn2)CC1 ZINC000109638802 530863707 /nfs/dbraw/zinc/86/37/07/530863707.db2.gz KOZGSEGXHBFIEW-UHFFFAOYSA-N 0 0 392.257 1.504 10 0 GDAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)C2)c1 ZINC000109686861 530864005 /nfs/dbraw/zinc/86/40/05/530864005.db2.gz QXKGDKLQJWWAQA-GFCCVEGCSA-N 0 0 382.873 1.970 10 0 GDAERN Cc1cnn([C@@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)c1 ZINC000109685791 530864135 /nfs/dbraw/zinc/86/41/35/530864135.db2.gz OZDFLHZPYVEJDS-CQSZACIVSA-N 0 0 379.258 1.979 10 0 GDAERN C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1cccc(Br)c1 ZINC000186888947 530864657 /nfs/dbraw/zinc/86/46/57/530864657.db2.gz NKEWAKYIAGKJNT-SECBINFHSA-N 0 0 384.255 1.983 10 0 GDAERN Cc1cccc(F)c1S(=O)(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000185269532 530839611 /nfs/dbraw/zinc/83/96/11/530839611.db2.gz LASXEEFTXHVTCT-CYBMUJFWSA-N 0 0 376.475 1.323 10 0 GDAERN NS(=O)(=O)Cc1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187592353 530875423 /nfs/dbraw/zinc/87/54/23/530875423.db2.gz ZSMXELGXPMAPBI-HOTGVXAUSA-N 0 0 380.491 1.385 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116229688 530903104 /nfs/dbraw/zinc/90/31/04/530903104.db2.gz VAQVPJOGIIDKBR-LLVKDONJSA-N 0 0 382.873 1.611 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)CSc3nnnn3CC(F)(F)F)C2)cn1 ZINC000116120185 530903167 /nfs/dbraw/zinc/90/31/67/530903167.db2.gz JEKBOYNGNSGBMT-VIFPVBQESA-N 0 0 375.380 1.077 10 0 GDAERN O=C(CS(=O)(=O)C1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306602 530880819 /nfs/dbraw/zinc/88/08/19/530880819.db2.gz GUDPSPOJWIATAX-UHFFFAOYSA-N 0 0 384.523 1.780 10 0 GDAERN O=C(NC1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1)C1CC1 ZINC000187986114 530881730 /nfs/dbraw/zinc/88/17/30/530881730.db2.gz IDXKDDPLNUVBSF-UHFFFAOYSA-N 0 0 392.253 1.075 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976596 530881774 /nfs/dbraw/zinc/88/17/74/530881774.db2.gz ABRLFNYSNXUAIL-UHFFFAOYSA-N 0 0 384.205 1.264 10 0 GDAERN CC1(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)COC1 ZINC000112618869 530882678 /nfs/dbraw/zinc/88/26/78/530882678.db2.gz CSROFAXRXNQUJJ-CYBMUJFWSA-N 0 0 386.901 1.893 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Br)ccc1F ZINC000113299222 530889135 /nfs/dbraw/zinc/88/91/35/530889135.db2.gz GOVCGKFOAYROOP-SECBINFHSA-N 0 0 375.223 1.473 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)n1C ZINC000113635568 530890557 /nfs/dbraw/zinc/89/05/57/530890557.db2.gz WMUBOJXPGPSVDN-UHFFFAOYSA-N 0 0 381.849 1.677 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000188429813 530894275 /nfs/dbraw/zinc/89/42/75/530894275.db2.gz WQEYLERFIKTLGQ-NSHDSACASA-N 0 0 384.274 1.537 10 0 GDAERN O=C(c1cncc(Br)c1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119836313 530931852 /nfs/dbraw/zinc/93/18/52/530931852.db2.gz XVMNROIMICENNR-ZDUSSCGKSA-N 0 0 388.287 1.484 10 0 GDAERN O=C(c1ccc(Br)o1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120036095 530934832 /nfs/dbraw/zinc/93/48/32/530934832.db2.gz GIGNIBXRHVNFCW-SNVBAGLBSA-N 0 0 377.260 1.682 10 0 GDAERN O=C(NC1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1)C1CC1 ZINC000189443127 530912664 /nfs/dbraw/zinc/91/26/64/530912664.db2.gz NCHGLXCJKTZIAA-UHFFFAOYSA-N 0 0 390.237 1.641 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117773952 530914367 /nfs/dbraw/zinc/91/43/67/530914367.db2.gz KWOFWWNGVMXHHP-ZDUSSCGKSA-N 0 0 397.248 1.834 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)C(N)=O ZINC000189532973 530915296 /nfs/dbraw/zinc/91/52/96/530915296.db2.gz VFJFQNPXCYLFKA-JTQLQIEISA-N 0 0 394.628 1.806 10 0 GDAERN CN1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1=O ZINC000189742622 530919685 /nfs/dbraw/zinc/91/96/85/530919685.db2.gz BIWPRCIKLANCIQ-UHFFFAOYSA-N 0 0 377.242 1.939 10 0 GDAERN O=C(c1ccncc1I)N1CCC[C@@H](n2cncn2)C1 ZINC000120016675 530934486 /nfs/dbraw/zinc/93/44/86/530934486.db2.gz BKKOMPMJCPLCOD-SNVBAGLBSA-N 0 0 383.193 1.755 10 0 GDAERN CN1CCCN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC1=O ZINC000189966021 530923379 /nfs/dbraw/zinc/92/33/79/530923379.db2.gz ZYVKHRFAQHWUES-UHFFFAOYSA-N 0 0 397.273 1.053 10 0 GDAERN CC(=O)NC1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000189954460 530923445 /nfs/dbraw/zinc/92/34/45/530923445.db2.gz YSAQUJYZYZETGZ-ZDUSSCGKSA-N 0 0 395.301 1.805 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Br)cc1F ZINC000119294750 530924076 /nfs/dbraw/zinc/92/40/76/530924076.db2.gz VJNBCYSSKZADED-LLVKDONJSA-N 0 0 376.226 1.403 10 0 GDAERN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc(C)c1Br ZINC000190308700 530928014 /nfs/dbraw/zinc/92/80/14/530928014.db2.gz QRBAHUHWNWVAHW-ZDUSSCGKSA-N 0 0 398.301 1.841 10 0 GDAERN C[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)c1nnc2n1CCCC2 ZINC000121710147 530960116 /nfs/dbraw/zinc/96/01/16/530960116.db2.gz KQNZKBJIHQFHMJ-SNVBAGLBSA-N 0 0 380.861 1.955 10 0 GDAERN O=C(COc1ccccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000121847628 530962820 /nfs/dbraw/zinc/96/28/20/530962820.db2.gz ZETHOHLHEGGUOP-ZDUSSCGKSA-N 0 0 380.242 1.952 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192204998 530964713 /nfs/dbraw/zinc/96/47/13/530964713.db2.gz BFDJNCWVGPKZGQ-MRVPVSSYSA-N 0 0 388.649 1.778 10 0 GDAERN C[C@H](CNC(=O)Cc1ccc(I)cc1)N1CCOCC1 ZINC000190883286 530939659 /nfs/dbraw/zinc/93/96/59/530939659.db2.gz ICHWUAJURUFORG-GFCCVEGCSA-N 0 0 388.249 1.671 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(Br)ccc1F ZINC000120557105 530942728 /nfs/dbraw/zinc/94/27/28/530942728.db2.gz OLPWNGNRXUVRSH-NSHDSACASA-N 0 0 376.226 1.403 10 0 GDAERN CS(=O)(=O)CCNC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000120671209 530943985 /nfs/dbraw/zinc/94/39/85/530943985.db2.gz XFDUNWWNHVPDRD-QWHCGFSZSA-N 0 0 380.388 1.567 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000191482646 530949327 /nfs/dbraw/zinc/94/93/27/530949327.db2.gz YAURGQOCIJEDPM-NSHDSACASA-N 0 0 380.242 1.149 10 0 GDAERN O=C(Cc1cccc(I)c1)N[C@H]1CCc2ncnn2C1 ZINC000121300045 530953651 /nfs/dbraw/zinc/95/36/51/530953651.db2.gz QBNPENUPOKBFGH-LBPRGKRZSA-N 0 0 382.205 1.556 10 0 GDAERN Cn1nc(Br)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000191905459 530956852 /nfs/dbraw/zinc/95/68/52/530956852.db2.gz ZYYQDAQBNGELSQ-SNVBAGLBSA-N 0 0 384.255 1.831 10 0 GDAERN COC(=O)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1Br ZINC000192424510 530967910 /nfs/dbraw/zinc/96/79/10/530967910.db2.gz TUQXDRQPZKCGNG-VIFPVBQESA-N 0 0 394.229 1.964 10 0 GDAERN CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CCN(S(C)(=O)=O)CC1 ZINC000122440972 530971126 /nfs/dbraw/zinc/97/11/26/530971126.db2.gz AIXHOCJOFIQKKO-UHFFFAOYSA-N 0 0 384.885 1.998 10 0 GDAERN O=C(c1ccoc1Br)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000193732928 530991971 /nfs/dbraw/zinc/99/19/71/530991971.db2.gz BAVJUFJJAXBFQU-JTQLQIEISA-N 0 0 377.260 1.682 10 0 GDAERN CNc1cc(N2CCC[C@H]2CNC(=O)CSCc2cscn2)ncn1 ZINC000124151628 530992444 /nfs/dbraw/zinc/99/24/44/530992444.db2.gz HZCPFIAQMKRZHE-ZDUSSCGKSA-N 0 0 378.527 1.993 10 0 GDAERN CC[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CCN1CCOC ZINC000193759637 530993010 /nfs/dbraw/zinc/99/30/10/530993010.db2.gz QJHHGPVWGKZBFW-JTQLQIEISA-N 0 0 384.395 1.974 10 0 GDAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000123682238 530986643 /nfs/dbraw/zinc/98/66/43/530986643.db2.gz BWUPFKMQMDSHFC-VXGBXAGGSA-N 0 0 377.268 1.570 10 0 GDAERN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ncccc1Br ZINC000193547905 530989072 /nfs/dbraw/zinc/98/90/72/530989072.db2.gz RBFPTNQPJNYRPH-HNNXBMFYSA-N 0 0 390.281 1.993 10 0 GDAERN Cc1cnn(CCNC(=O)COc2cccc(I)c2)c1 ZINC000194668001 531008139 /nfs/dbraw/zinc/00/81/39/531008139.db2.gz WMKKGIKYYLJJIA-UHFFFAOYSA-N 0 0 385.205 1.991 10 0 GDAERN COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1Br ZINC000195077096 531014587 /nfs/dbraw/zinc/01/45/87/531014587.db2.gz ZAJZXNLDVXNQAD-MRCXROJRSA-N 0 0 385.258 1.617 10 0 GDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCc1cccs1 ZINC000126176675 531015816 /nfs/dbraw/zinc/01/58/16/531015816.db2.gz AMMDODMWHMLMBV-LBPRGKRZSA-N 0 0 377.491 1.876 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000195428528 531022515 /nfs/dbraw/zinc/02/25/15/531022515.db2.gz IPZBNWDZFGENQY-LLVKDONJSA-N 0 0 385.877 1.700 10 0 GDAERN Cc1[nH]c(=O)c(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1Br ZINC000127036416 531025608 /nfs/dbraw/zinc/02/56/08/531025608.db2.gz GYAUZUMCBMXIIY-NSHDSACASA-N 0 0 381.230 1.596 10 0 GDAERN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000246020836 531062113 /nfs/dbraw/zinc/06/21/13/531062113.db2.gz NNGNNTGEOMKZAY-GJZGRUSLSA-N 0 0 386.539 1.728 10 0 GDAERN Cc1nc(SCC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)n[nH]1 ZINC000246694790 531068759 /nfs/dbraw/zinc/06/87/59/531068759.db2.gz DWEAGUSNHWJSGX-WCQYABFASA-N 0 0 381.527 1.845 10 0 GDAERN COc1ccc(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1Br ZINC000246116783 531063770 /nfs/dbraw/zinc/06/37/70/531063770.db2.gz IUSYQCMOJFDOQJ-WDEREUQCSA-N 0 0 393.303 1.901 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000246209891 531064856 /nfs/dbraw/zinc/06/48/56/531064856.db2.gz RMJXMDNGOYXVLQ-OLZOCXBDSA-N 0 0 391.331 1.833 10 0 GDAERN CN1CCO[C@H](CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000246345000 531066271 /nfs/dbraw/zinc/06/62/71/531066271.db2.gz CIUPZVAFVGKUKW-HZPDHXFCSA-N 0 0 398.301 1.863 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2CC(=O)c2cccs2)C1 ZINC000246411893 531066817 /nfs/dbraw/zinc/06/68/17/531066817.db2.gz FGTCSYGZKOWRJS-KGLIPLIRSA-N 0 0 384.523 1.984 10 0 GDAERN O=C1CN(C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCC[C@H]2N1 ZINC000246562638 531068080 /nfs/dbraw/zinc/06/80/80/531068080.db2.gz KSJFVIVKYVJPDT-IMJJTQAJSA-N 0 0 383.286 1.932 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000245671516 531059544 /nfs/dbraw/zinc/05/95/44/531059544.db2.gz CXTXDFLFSBLNIX-QWHCGFSZSA-N 0 0 391.331 1.833 10 0 GDAERN CNC(=O)[C@H]1CN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CCO1 ZINC000248435230 531078137 /nfs/dbraw/zinc/07/81/37/531078137.db2.gz FLUHYMLIMCKDLE-BXUZGUMPSA-N 0 0 384.274 1.073 10 0 GDAERN C[C@H]1CN([C@H](CNS(=O)(=O)CC2CCOCC2)c2cccs2)CCO1 ZINC000248372190 531078151 /nfs/dbraw/zinc/07/81/51/531078151.db2.gz ZPOHLNJCGFXCFU-GOEBONIOSA-N 0 0 388.555 1.856 10 0 GDAERN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N(CCO)C1CC1 ZINC000132336633 531079710 /nfs/dbraw/zinc/07/97/10/531079710.db2.gz DVPPOWLNAQANKA-ZDUSSCGKSA-N 0 0 386.901 1.724 10 0 GDAERN O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN2CCC[C@H]2C1 ZINC000249082372 531083874 /nfs/dbraw/zinc/08/38/74/531083874.db2.gz QXVZCKRZYMWJCA-NSHDSACASA-N 0 0 398.428 1.449 10 0 GDAERN CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C1 ZINC000249609574 531088443 /nfs/dbraw/zinc/08/84/43/531088443.db2.gz BPUJTFCIZPSMGI-HUUCEWRRSA-N 0 0 385.555 1.810 10 0 GDAERN CNC(=O)NCC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000134296690 531099268 /nfs/dbraw/zinc/09/92/68/531099268.db2.gz GNIWYCMTHSLDNF-UHFFFAOYSA-N 0 0 399.192 1.549 10 0 GDAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000134702140 531102731 /nfs/dbraw/zinc/10/27/31/531102731.db2.gz AYZRMVCDKAMJRB-LBPRGKRZSA-N 0 0 377.304 1.757 10 0 GDAERN Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134704162 531103352 /nfs/dbraw/zinc/10/33/52/531103352.db2.gz LBUUVWYAZJVHIM-CQSZACIVSA-N 0 0 376.475 1.323 10 0 GDAERN C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1nnc2n1CCCC2 ZINC000135268425 531108048 /nfs/dbraw/zinc/10/80/48/531108048.db2.gz ZJEOTAGQCSXTPP-SNVBAGLBSA-N 0 0 380.246 1.416 10 0 GDAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cccn2c(I)cnc12 ZINC000152089155 531146198 /nfs/dbraw/zinc/14/61/98/531146198.db2.gz MUWTVAKUNTXGHH-MNOVXSKESA-N 0 0 385.205 1.972 10 0 GDAERN CCS(=O)(=O)CCN(C)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000153512330 531168847 /nfs/dbraw/zinc/16/88/47/531168847.db2.gz DBLIIFCGKBQUCP-OAHLLOKOSA-N 0 0 388.917 1.988 10 0 GDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000153967725 531174983 /nfs/dbraw/zinc/17/49/83/531174983.db2.gz ZUHMKOUUFKNPNS-LBPRGKRZSA-N 0 0 397.273 1.690 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000154365425 531183046 /nfs/dbraw/zinc/18/30/46/531183046.db2.gz YKVJCKALTRGWCB-LLVKDONJSA-N 0 0 397.254 1.839 10 0 GDAERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000407987336 531209677 /nfs/dbraw/zinc/20/96/77/531209677.db2.gz XUXFOOKAQQKUFT-UHFFFAOYSA-N 0 0 388.515 1.002 10 0 GDAERN CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ncccc3Cl)CC2)CC1 ZINC000407955185 531208863 /nfs/dbraw/zinc/20/88/63/531208863.db2.gz GIUOENVQKADVFO-UHFFFAOYSA-N 0 0 386.905 1.055 10 0 GDAERN Cc1cccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1Cl ZINC000408025314 531212206 /nfs/dbraw/zinc/21/22/06/531212206.db2.gz AXOMMQAAQIYWNZ-OLZOCXBDSA-N 0 0 390.864 1.608 10 0 GDAERN COc1nc(N2CCC[C@](O)(C(=O)N3CCCC3)C2)ncc1Br ZINC000408034563 531213436 /nfs/dbraw/zinc/21/34/36/531213436.db2.gz GBPDKLVPSDMYHM-OAHLLOKOSA-N 0 0 385.262 1.201 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)sc1Cl ZINC000408030949 531213589 /nfs/dbraw/zinc/21/35/89/531213589.db2.gz JOAKLIJKMAVFEZ-OAHLLOKOSA-N 0 0 392.930 1.848 10 0 GDAERN C[C@H]1OCCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[C@@H]1C(N)=O ZINC000408059466 531216011 /nfs/dbraw/zinc/21/60/11/531216011.db2.gz CLTNQMPJNZYKJB-OEAXYECKSA-N 0 0 393.281 1.754 10 0 GDAERN Cc1cc(N2CC[S@](=O)[C@H](C)C2)nc([C@H](C)N2CC[S@](=O)[C@@H](C)C2)n1 ZINC000408178319 531223608 /nfs/dbraw/zinc/22/36/08/531223608.db2.gz XBZKMRXLZVQSAS-IEXQBERASA-N 0 0 384.571 1.256 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[C@@H](C)CO1 ZINC000408234733 531227752 /nfs/dbraw/zinc/22/77/52/531227752.db2.gz HBSAKJKXWJFLGU-ZNMIVQPWSA-N 0 0 375.535 1.215 10 0 GDAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000408213129 531226006 /nfs/dbraw/zinc/22/60/06/531226006.db2.gz DDJWDSRRDUFMNC-SNVBAGLBSA-N 0 0 379.276 1.967 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@@H]1N1CCOCC1 ZINC000408216183 531226151 /nfs/dbraw/zinc/22/61/51/531226151.db2.gz VOLKFRYEBUBGQS-MNOVXSKESA-N 0 0 379.276 1.383 10 0 GDAERN CC(C)c1ccccc1S(=O)(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000408268495 531229545 /nfs/dbraw/zinc/22/95/45/531229545.db2.gz AOWJTVBWQCLGGW-WMLDXEAASA-N 0 0 387.523 1.825 10 0 GDAERN CCN(C1CCN(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000408254623 531230039 /nfs/dbraw/zinc/23/00/39/531230039.db2.gz FDQVQUIZWHNVAK-ZIAGYGMSSA-N 0 0 375.535 1.646 10 0 GDAERN Cn1cc([C@@H]2CSCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000292327425 531349449 /nfs/dbraw/zinc/34/94/49/531349449.db2.gz WZDCWEZFCMYKMF-QLFBSQMISA-N 0 0 386.543 1.575 10 0 GDAERN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000298676717 531909380 /nfs/dbraw/zinc/90/93/80/531909380.db2.gz UEUXGBVYHGUXFG-HOTGVXAUSA-N 0 0 388.511 1.269 10 0 GDAERN O=c1ccnc2sc(NCC3CCN(S(=O)(=O)C(F)(F)F)CC3)nn21 ZINC000301233265 532029999 /nfs/dbraw/zinc/02/99/99/532029999.db2.gz KLFSODWHBAYWBE-UHFFFAOYSA-N 0 0 397.404 1.125 10 0 GDAERN CCS(=O)(=O)N1CC(CNc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000302527490 532048517 /nfs/dbraw/zinc/04/85/17/532048517.db2.gz DKWIDOHIWRYSQT-UHFFFAOYSA-N 0 0 386.417 1.674 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H]4CCN(C)C[C@@H]43)cc(Cl)c2O1 ZINC000285249742 532055986 /nfs/dbraw/zinc/05/59/86/532055986.db2.gz YFRWUUFFSHMRRF-RLCCDNCMSA-N 0 0 386.901 1.757 10 0 GDAERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@H]2C1 ZINC000285279705 532058758 /nfs/dbraw/zinc/05/87/58/532058758.db2.gz ZWCNZSWDAMMXHI-STQMWFEESA-N 0 0 388.873 1.205 10 0 GDAERN Nc1ncc(Br)cc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328629731 532088540 /nfs/dbraw/zinc/08/85/40/532088540.db2.gz PCOUZEXEEYCSGD-SECBINFHSA-N 0 0 386.275 1.164 10 0 GDAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccs2)[nH]1 ZINC000328699721 532091124 /nfs/dbraw/zinc/09/11/24/532091124.db2.gz VUCIZCDUROLXNV-JQWIXIFHSA-N 0 0 383.499 1.595 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cccc(I)c3)CC[C@@H]21 ZINC000286246323 532139001 /nfs/dbraw/zinc/13/90/01/532139001.db2.gz KXZOEILJYMIOHF-NEPJUHHUSA-N 0 0 385.205 1.529 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000286272216 532140000 /nfs/dbraw/zinc/14/00/00/532140000.db2.gz RXJTVXQQTGZZKP-NVXWUHKLSA-N 0 0 381.270 1.926 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3cc(Br)cc4nc[nH]c43)C[C@@H]21 ZINC000286183348 532135169 /nfs/dbraw/zinc/13/51/69/532135169.db2.gz AKYLFEHBSBSIMA-KBPBESRZSA-N 0 0 379.258 1.871 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000286514524 532156032 /nfs/dbraw/zinc/15/60/32/532156032.db2.gz XHVKEQQXIVOYDQ-IACUBPJLSA-N 0 0 395.257 1.494 10 0 GDAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000332767418 532209375 /nfs/dbraw/zinc/20/93/75/532209375.db2.gz ABHQQAIKWJCBLK-ZQDZILKHSA-N 0 0 377.242 1.900 10 0 GDAERN CC[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@H](OC)CN3S(C)(=O)=O)sc2C1 ZINC000333265892 532227704 /nfs/dbraw/zinc/22/77/04/532227704.db2.gz GUQSIMFZKLDFRL-NTZNESFSSA-N 0 0 387.527 1.645 10 0 GDAERN C[C@H]1CN(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)CCN1S(C)(=O)=O ZINC000333219004 532225022 /nfs/dbraw/zinc/22/50/22/532225022.db2.gz VPKCKPFIPRVZCN-MELADBBJSA-N 0 0 387.527 1.644 10 0 GDAERN C[C@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CCN1S(C)(=O)=O ZINC000333219005 532225301 /nfs/dbraw/zinc/22/53/01/532225301.db2.gz VPKCKPFIPRVZCN-MJBXVCDLSA-N 0 0 387.527 1.644 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000333680981 532245089 /nfs/dbraw/zinc/24/50/89/532245089.db2.gz PKZQQGQCEVPHRL-XHDPSFHLSA-N 0 0 396.245 1.951 10 0 GDAERN C[C@@]12CN(C(=O)NCCS(=O)(=O)N3CCSCC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333867527 532252864 /nfs/dbraw/zinc/25/28/64/532252864.db2.gz TWCBFPXNTQLINA-AESZEHBQSA-N 0 0 387.571 1.443 10 0 GDAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC000333920412 532256597 /nfs/dbraw/zinc/25/65/97/532256597.db2.gz PWHDSRFYENUVPE-UMSGYPCISA-N 0 0 384.420 1.705 10 0 GDAERN O=C(N[C@@H](n1cc(F)c(=O)[nH]c1=O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003123254 206458219 /nfs/dbraw/zinc/45/82/19/206458219.db2.gz JEVAIVRHLUBSNE-NSHDSACASA-N 0 0 380.590 1.975 10 0 GDAERN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NC[C@@H]1CCCO1)nc2C ZINC000020563051 207202465 /nfs/dbraw/zinc/20/24/65/207202465.db2.gz BPTNZMKHIZLPAS-INIZCTEOSA-N 0 0 381.436 1.494 10 0 GDAERN O=C(c1cc(Br)ccc1Cl)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000037984049 207245309 /nfs/dbraw/zinc/24/53/09/207245309.db2.gz VWMAFVOUVZPZIB-SNVBAGLBSA-N 0 0 396.690 1.724 10 0 GDAERN CC(C)(C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000033671538 207462929 /nfs/dbraw/zinc/46/29/29/207462929.db2.gz JXANLUMWGSWPBN-VNTMZGSJSA-N 0 0 394.471 1.562 10 0 GDAERN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)c1 ZINC000064943575 207818890 /nfs/dbraw/zinc/81/88/90/207818890.db2.gz CKOKNXUKFDTUBI-UHFFFAOYSA-N 0 0 397.456 1.701 10 0 GDAERN CCOC(=O)C(Cc1c[nH]c2cc(OC)ccc12)(NC(C)=O)C(=O)OCC ZINC000095938207 208240247 /nfs/dbraw/zinc/24/02/47/208240247.db2.gz SRISCPIWBZVBRG-UHFFFAOYSA-N 0 0 376.409 1.720 10 0 GDAERN CCOC(=O)N1CCC(n2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)CC1 ZINC000073657995 520933658 /nfs/dbraw/zinc/93/36/58/520933658.db2.gz DPYMCTQXIVMEBY-UHFFFAOYSA-N 0 0 377.397 1.500 10 0 GDAERN O=C([O-])Cn1c(=O)n(CCC[NH+]2CCCCC2)c(=O)c2cc(Cl)ccc21 ZINC000073659190 527640212 /nfs/dbraw/zinc/64/02/12/527640212.db2.gz GDNSMBIXAUILOP-UHFFFAOYSA-N 0 0 379.844 1.777 10 0 GDAERN O=C([O-])Cn1c(=O)n(CCC[N@@H+]2CCc3ccccc3C2)c(=O)c2ccccc21 ZINC000073658614 527640707 /nfs/dbraw/zinc/64/07/07/527640707.db2.gz NSBIUFNWHOULKX-UHFFFAOYSA-N 0 0 393.443 1.696 10 0 GDAERN CC[C@@H](C)NC(=O)c1coc(CN2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000034677120 570293970 /nfs/dbraw/zinc/29/39/70/570293970.db2.gz ONFKXLYVNJQYQS-HZPDHXFCSA-N 0 0 382.505 1.106 10 0 GDAERN C[S@@](=O)c1cccc(-n2c3[nH]cnc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000004344952 570370021 /nfs/dbraw/zinc/37/00/21/570370021.db2.gz QHSGADUQFRDVOX-MHZLTWQESA-N 0 0 380.429 1.661 10 0 GDAERN CCOc1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C(C)C)no3)C2)cn1 ZINC000328612994 570584743 /nfs/dbraw/zinc/58/47/43/570584743.db2.gz QOEVQUGJVMSNFH-MRXNPFEDSA-N 0 0 382.442 1.269 10 0 GDAERN CCOc1cc(CN2CCNC(=O)[C@H]2CC(=O)NC)cc(Cl)c1OCC ZINC000055383501 570693355 /nfs/dbraw/zinc/69/33/55/570693355.db2.gz FLVNDGYNWNCAKY-CQSZACIVSA-N 0 0 383.876 1.574 10 0 GDAERN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CS2 ZINC000045960863 571005973 /nfs/dbraw/zinc/00/59/73/571005973.db2.gz WDMOTTGIFZOCCI-UHFFFAOYSA-N 0 0 391.493 1.466 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)C[C@H]21 ZINC000565377453 650794163 /nfs/dbraw/zinc/79/41/63/650794163.db2.gz GQXIUMSQTQVKBA-KGLIPLIRSA-N 0 0 389.283 1.882 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000105376230 644609559 /nfs/dbraw/zinc/60/95/59/644609559.db2.gz CGHJRCHIMGEOSO-QPJJXVBHSA-N 0 0 378.226 1.807 10 0 GDAERN COCCN1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C[C@@H]1C ZINC000117322267 644650687 /nfs/dbraw/zinc/65/06/87/644650687.db2.gz RSZUPKOFTNRYQD-LBPRGKRZSA-N 0 0 396.285 1.588 10 0 GDAERN C[C@@H]1CN(Cn2cc(Br)c(-c3ccc(F)cc3)n2)C[C@H](C(N)=O)O1 ZINC000120181119 644667816 /nfs/dbraw/zinc/66/78/16/644667816.db2.gz UEYASYTZRBVQHW-QMTHXVAHSA-N 0 0 397.248 1.984 10 0 GDAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc(Cl)c(Br)c1 ZINC000126864553 644723338 /nfs/dbraw/zinc/72/33/38/644723338.db2.gz YXMZBLDJELQQLP-SECBINFHSA-N 0 0 381.679 1.818 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CCN1C[C@@H](C)O ZINC000163475676 644860778 /nfs/dbraw/zinc/86/07/78/644860778.db2.gz JBLKPHVAOCPWQD-YPMHNXCESA-N 0 0 399.289 1.086 10 0 GDAERN O=S(=O)(/C=C/c1ccccc1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171838211 644879083 /nfs/dbraw/zinc/87/90/83/644879083.db2.gz LTWLWTFXDDVDDD-DHZHZOJOSA-N 0 0 394.465 1.841 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000172030717 644880549 /nfs/dbraw/zinc/88/05/49/644880549.db2.gz GMUBFGZKHAOYOW-CYBMUJFWSA-N 0 0 390.937 1.120 10 0 GDAERN C[C@H](OC(=O)CCNS(C)(=O)=O)c1ccc(I)cc1 ZINC000178472724 644924871 /nfs/dbraw/zinc/92/48/71/644924871.db2.gz ZFRNZWCPFIFRAD-VIFPVBQESA-N 0 0 397.234 1.835 10 0 GDAERN O=S(=O)(/C=C\c1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000254949484 645106112 /nfs/dbraw/zinc/10/61/12/645106112.db2.gz NMZXNNCNPAFIBJ-FMFIFOJESA-N 0 0 383.271 1.946 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)NCc2cn3c(n2)CCCC3)cc1 ZINC000328596786 645271340 /nfs/dbraw/zinc/27/13/40/645271340.db2.gz XZAAKHRGOWRHNL-UHFFFAOYSA-N 0 0 383.495 1.492 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000329841116 645332273 /nfs/dbraw/zinc/33/22/73/645332273.db2.gz WQEMDFKPVGRAKZ-WCQYABFASA-N 0 0 375.516 1.558 10 0 GDAERN O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1ccc(I)cc1 ZINC000604037162 652734489 /nfs/dbraw/zinc/73/44/89/652734489.db2.gz SQIGCKJARWFARY-QWRGUYRKSA-N 0 0 381.235 1.873 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(Br)o2)C1 ZINC000702819054 654832975 /nfs/dbraw/zinc/83/29/75/654832975.db2.gz ZXVSIODCCQZWIF-ZJUUUORDSA-N 0 0 389.246 2.000 10 0 GDAERN O=C(NC[C@@H]1CCc2nccn2C1)c1nscc1I ZINC000907560847 659783954 /nfs/dbraw/zinc/78/39/54/659783954.db2.gz QLDHOABKZVTLOD-QMMMGPOBSA-N 0 0 388.234 1.937 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC000718109695 977950301 /nfs/dbraw/zinc/95/03/01/977950301.db2.gz GVMKPQUEAWQXFO-ZWKOTPCHSA-N 0 0 375.469 1.782 10 0 GDAERN N=C1NC(N[C@H](O)C(Cl)(Cl)Cl)=N[C@H](C(Cl)(Cl)Cl)O1 ZINC000005630571 530539634 /nfs/dbraw/zinc/53/96/34/530539634.db2.gz BSVICRCRIMOVHK-NCGGTJAESA-N 0 0 378.858 1.871 10 0 GDAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000162560222 530568439 /nfs/dbraw/zinc/56/84/39/530568439.db2.gz MRHFVWXNMXDEPB-NSHDSACASA-N 0 0 381.267 1.587 10 0 GDAERN CCN1CCO[C@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000162560102 530568787 /nfs/dbraw/zinc/56/87/87/530568787.db2.gz MRHFVWXNMXDEPB-LLVKDONJSA-N 0 0 381.267 1.587 10 0 GDAERN Cn1cc(Br)cc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000162665854 530570376 /nfs/dbraw/zinc/57/03/76/530570376.db2.gz OGAVZLBIYPGSEK-GFCCVEGCSA-N 0 0 390.303 1.428 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000170775116 530588787 /nfs/dbraw/zinc/58/87/87/530588787.db2.gz IZPPNVNVLHOWOM-CHWSQXEVSA-N 0 0 383.242 1.494 10 0 GDAERN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@@H](c2nccs2)C1 ZINC000170890592 530591156 /nfs/dbraw/zinc/59/11/56/530591156.db2.gz BNNZCKPYFDTZBZ-GFCCVEGCSA-N 0 0 378.479 1.347 10 0 GDAERN C[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171721145 530601931 /nfs/dbraw/zinc/60/19/31/530601931.db2.gz YRABJELMQPBJHE-STQMWFEESA-N 0 0 395.301 1.805 10 0 GDAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)s1 ZINC000172221558 530610614 /nfs/dbraw/zinc/61/06/14/530610614.db2.gz IBZLTRNHIUGRMR-JTQLQIEISA-N 0 0 386.524 1.941 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cc2c(c(Br)c1)OCO2 ZINC000172359248 530612286 /nfs/dbraw/zinc/61/22/86/530612286.db2.gz WCJBEJWTJFYIEO-GFCCVEGCSA-N 0 0 383.242 1.771 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CCO2)[nH]1 ZINC000173088866 530623104 /nfs/dbraw/zinc/62/31/04/530623104.db2.gz YSELNDKHYDJJOI-GFCCVEGCSA-N 0 0 391.229 1.966 10 0 GDAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000173567119 530632742 /nfs/dbraw/zinc/63/27/42/530632742.db2.gz PLNDHTXIYQYGTD-UHFFFAOYSA-N 0 0 378.230 1.644 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173585274 530633389 /nfs/dbraw/zinc/63/33/89/530633389.db2.gz ICGHXZKSACOEKF-OAHLLOKOSA-N 0 0 385.302 1.915 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000173836648 530638780 /nfs/dbraw/zinc/63/87/80/530638780.db2.gz VALDVNRPEYEKRU-CQSZACIVSA-N 0 0 383.495 1.448 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)CCO2)[nH]1 ZINC000173837611 530638786 /nfs/dbraw/zinc/63/87/86/530638786.db2.gz NYLKGHJJIGXKPS-QMMMGPOBSA-N 0 0 393.288 1.699 10 0 GDAERN CS(=O)(=O)C1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000172674436 530616509 /nfs/dbraw/zinc/61/65/09/530616509.db2.gz HADMGGCJBPWMGT-RUXDESIVSA-N 0 0 384.523 1.825 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Br)cc1Cl ZINC000175775820 530670624 /nfs/dbraw/zinc/67/06/24/530670624.db2.gz JVQJYQRCNQGUJB-NSHDSACASA-N 0 0 392.681 1.917 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)N1CCOCC1 ZINC000176073698 530676003 /nfs/dbraw/zinc/67/60/03/530676003.db2.gz XMXCWSSMXYYSFY-SNVBAGLBSA-N 0 0 388.237 1.364 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccnc3Br)C2=O)n(C)n1 ZINC000176668607 530688544 /nfs/dbraw/zinc/68/85/44/530688544.db2.gz XAUCBZSAYSPCKC-GFCCVEGCSA-N 0 0 392.257 1.811 10 0 GDAERN COC(=O)C[C@H](NC(=O)CCc1nnc[nH]1)c1cccc(Br)c1 ZINC000176843809 530692117 /nfs/dbraw/zinc/69/21/17/530692117.db2.gz OPDIDIOSNKIPMN-LBPRGKRZSA-N 0 0 381.230 1.920 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)ccc1Br ZINC000177607727 530705901 /nfs/dbraw/zinc/70/59/01/530705901.db2.gz XRRBOKBFMDODJX-CHWSQXEVSA-N 0 0 398.301 1.610 10 0 GDAERN 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COCC1(S(=O)(=O)N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)CC1 ZINC000333727337 532247756 /nfs/dbraw/zinc/24/77/56/532247756.db2.gz SPRWNALSJIHVQY-CQSZACIVSA-N 0 0 385.555 1.938 10 0 GDAERN NC(=O)[C@H]1COCCN1Cc1cc(Cl)ccc1I ZINC000404942069 532306601 /nfs/dbraw/zinc/30/66/01/532306601.db2.gz QNPBRIDDPAEKQW-LLVKDONJSA-N 0 0 380.613 1.631 10 0 GDAERN CN1CCN(C(=O)Oc2c3[nH]ccc(Cl)c-3c(=O)n2-c2ccncn2)CC1 ZINC000334161910 206255785 /nfs/dbraw/zinc/25/57/85/206255785.db2.gz GYQFOKUJGPPEHA-MRXNPFEDSA-N 0 0 388.815 1.568 10 0 GDAERN Cc1cc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCC3CC3)C2)nn1C ZINC000014533316 207021843 /nfs/dbraw/zinc/02/18/43/207021843.db2.gz FXPKGAUUJUMELR-SFHVURJKSA-N 0 0 397.479 1.403 10 0 GDAERN Cc1nonc1C(=O)N1CC(=O)N(Cc2ccccc2)C[C@H](OCC2CC2)C1 ZINC000014531328 207022393 /nfs/dbraw/zinc/02/23/93/207022393.db2.gz FDPOJLSYEROWRU-KRWDZBQOSA-N 0 0 384.436 1.658 10 0 GDAERN COc1ccccc1Cn1ccn(CC(=O)Nc2ccccc2F)c(=O)c1=O ZINC000020902310 207219062 /nfs/dbraw/zinc/21/90/62/207219062.db2.gz JAPNWLGNKAWEKX-UHFFFAOYSA-N 0 0 383.379 1.845 10 0 GDAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)C1 ZINC000020687831 207210454 /nfs/dbraw/zinc/21/04/54/207210454.db2.gz CHUFNBHIFRHFSV-OWCLPIDISA-N 0 0 383.514 1.831 10 0 GDAERN C=C1C(NCCCN2CCOCC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000021525877 207230769 /nfs/dbraw/zinc/23/07/69/207230769.db2.gz HYGWSSHDWKGJRW-UHFFFAOYSA-N 0 0 379.482 1.480 10 0 GDAERN CCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2)=CC[C@@]1(O)C(F)(F)F ZINC000032628982 207399530 /nfs/dbraw/zinc/39/95/30/207399530.db2.gz OGLJVQQDCNNOPR-MRXNPFEDSA-N 0 0 386.326 1.347 10 0 GDAERN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)C=C3)cc1 ZINC000058541182 207779143 /nfs/dbraw/zinc/77/91/43/207779143.db2.gz AMDZBCPLELDUTE-UHFFFAOYSA-N 0 0 379.459 1.974 10 0 GDAERN COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccsc1)CC2 ZINC000095525254 208224672 /nfs/dbraw/zinc/22/46/72/208224672.db2.gz FCWIGVJFJFIDKO-UHFFFAOYSA-N 0 0 388.493 1.563 10 0 GDAERN CN(CCc1ccccn1)C(=O)[C@@H]1CN(S(C)(=O)=O)CC12CCCCC2 ZINC000096309596 208304910 /nfs/dbraw/zinc/30/49/10/208304910.db2.gz JJEXTXMGNIVHKK-KRWDZBQOSA-N 0 0 379.526 1.924 10 0 GDAERN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3ncc4c3[nH]c(=O)cc4C(F)(F)F)[C@@H]2O1 ZINC000217012280 208826125 /nfs/dbraw/zinc/82/61/25/208826125.db2.gz BNFGHUGTLFYELM-UORFTKCHSA-N 0 0 375.303 1.153 10 0 GDAERN CC(C)(C)NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064889153 209002385 /nfs/dbraw/zinc/00/23/85/209002385.db2.gz XBBBCQGAAKUPQZ-UHFFFAOYSA-N 0 0 379.486 1.521 10 0 GDAERN C[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206233 221333871 /nfs/dbraw/zinc/33/38/71/221333871.db2.gz ZMYJTGDNFZJYFN-CJRRTJEBSA-N 0 0 392.633 1.790 10 0 GDAERN C=C1C(N2CCC(NC(=O)CCOC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239114 222114882 /nfs/dbraw/zinc/11/48/82/222114882.db2.gz GTQCGDINEIHUNC-UHFFFAOYSA-N 0 0 391.493 1.777 10 0 GDAERN Cc1noc(C)c1CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)N(C)C ZINC000033269462 526492253 /nfs/dbraw/zinc/49/22/53/526492253.db2.gz VOTNZHCNXAXUHT-UHFFFAOYSA-N 0 0 394.497 1.572 10 0 GDAERN CCc1nn(CC(=O)NCc2cccnc2)c(=O)c2cc3c(cccc3OC)n21 ZINC000006749807 570282242 /nfs/dbraw/zinc/28/22/42/570282242.db2.gz VEYRHPHUESTPIM-UHFFFAOYSA-N 0 0 391.431 1.932 10 0 GDAERN COCC(=O)Nc1cc2c(cc1Oc1ccc(OC)cc1)n(C)c(=O)c(=O)n2C ZINC000033265715 570403748 /nfs/dbraw/zinc/40/37/48/570403748.db2.gz RPEMVJGWAXBWAZ-UHFFFAOYSA-N 0 0 399.403 1.623 10 0 GDAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O ZINC000033752081 570411356 /nfs/dbraw/zinc/41/13/56/570411356.db2.gz NOWBLZLCSWCLAG-RVKKMQEKSA-N 0 0 385.464 1.712 10 0 GDAERN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NC1CC1)C2 ZINC000064565623 570481807 /nfs/dbraw/zinc/48/18/07/570481807.db2.gz WZCVNUSWJCGSQU-UHFFFAOYSA-N 0 0 395.463 1.616 10 0 GDAERN CC(C)CCNC(=O)c1coc(CN2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000034677435 570542817 /nfs/dbraw/zinc/54/28/17/570542817.db2.gz QUBKOPRLYPVQNE-QGZVFWFLSA-N 0 0 396.532 1.354 10 0 GDAERN O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000328611968 570551817 /nfs/dbraw/zinc/55/18/17/570551817.db2.gz NHMWJPNTGBHJFJ-IIAWOOMASA-N 0 0 383.495 1.303 10 0 GDAERN COCCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(C)=O)CC1 ZINC000036157577 570554575 /nfs/dbraw/zinc/55/45/75/570554575.db2.gz WXBULUBAFFDUKX-SFHVURJKSA-N 0 0 375.469 1.196 10 0 GDAERN CC[C@H](O)CN(CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000036206975 570569084 /nfs/dbraw/zinc/56/90/84/570569084.db2.gz QGTQEDNNSBBLPZ-LBPRGKRZSA-N 0 0 397.497 1.689 10 0 GDAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3c(Cl)nc4ccccn43)O2)n1 ZINC000275278593 570689601 /nfs/dbraw/zinc/68/96/01/570689601.db2.gz KCNOVBDLPAXCPP-MNOVXSKESA-N 0 0 397.844 1.878 10 0 GDAERN COCCN1C(=O)C[C@@H](CNc2nccc(C(F)(F)F)n2)[C@@H]1c1cnn(C)c1 ZINC000275358193 570691214 /nfs/dbraw/zinc/69/12/14/570691214.db2.gz VCQOVFKAHHGUGN-XHDPSFHLSA-N 0 0 398.389 1.877 10 0 GDAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000188875886 570732018 /nfs/dbraw/zinc/73/20/18/570732018.db2.gz TYAHHBICUQCPTQ-RHSMWYFYSA-N 0 0 397.522 1.693 10 0 GDAERN COc1ccc(OC)c(CN2CCn3nc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065460997 570769763 /nfs/dbraw/zinc/76/97/63/570769763.db2.gz CKUWCLKVDBEBLC-UHFFFAOYSA-N 0 0 386.452 1.389 10 0 GDAERN O=C([C@H]1CCCN(c2cn[nH]c(=O)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000065313580 570795860 /nfs/dbraw/zinc/79/58/60/570795860.db2.gz RCSKJUUPAYLVHN-HNNXBMFYSA-N 0 0 385.443 1.474 10 0 GDAERN Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@H](CO)[C@@H](c4ccsc4)C3)cc12 ZINC000249426963 570894633 /nfs/dbraw/zinc/89/46/33/570894633.db2.gz FZCIHEZBLGANRE-CZUORRHYSA-N 0 0 392.506 1.735 10 0 GDAERN Cc1nc([C@@H](NC(=O)Nc2cccn(C)c2=O)c2ccc3c(c2)OCCO3)no1 ZINC000366433664 570945839 /nfs/dbraw/zinc/94/58/39/570945839.db2.gz DGPXTEUQLRXQTE-INIZCTEOSA-N 0 0 397.391 1.759 10 0 GDAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080883 644626890 /nfs/dbraw/zinc/62/68/90/644626890.db2.gz YUNFPWPJLRREDT-JTQLQIEISA-N 0 0 391.421 1.482 10 0 GDAERN CN(Cc1csc(Br)c1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126699116 644722532 /nfs/dbraw/zinc/72/25/32/644722532.db2.gz ONVQHSXQDGKGGT-SNVBAGLBSA-N 0 0 381.317 1.246 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)nc1 ZINC000134189723 644758433 /nfs/dbraw/zinc/75/84/33/644758433.db2.gz HMIHGMWUNGGNHF-LLVKDONJSA-N 0 0 376.276 1.987 10 0 GDAERN Cc1nc(Cc2nn(CN3CC[C@@H](N4CCOCC4)C3)c(=S)o2)cs1 ZINC000172960166 644886206 /nfs/dbraw/zinc/88/62/06/644886206.db2.gz YHZVPDDBRZFSLD-CQSZACIVSA-N 0 0 381.527 1.925 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000173105739 644888185 /nfs/dbraw/zinc/88/81/85/644888185.db2.gz DEJNSHFDPPJXPY-CQSZACIVSA-N 0 0 399.285 1.556 10 0 GDAERN Cn1cc([C@@H]2CCN(Cn3nc(Br)nc3Br)C2)cn1 ZINC000175236133 644904220 /nfs/dbraw/zinc/90/42/20/644904220.db2.gz BNJULGDHVZOHJZ-MRVPVSSYSA-N 0 0 390.083 1.984 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C(C)C ZINC000178676295 644926100 /nfs/dbraw/zinc/92/61/00/644926100.db2.gz PDDQRWLZFWCFPD-GFCCVEGCSA-N 0 0 391.287 1.353 10 0 GDAERN CNC(=O)[C@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C(C)C ZINC000179125204 644930839 /nfs/dbraw/zinc/93/08/39/644930839.db2.gz NYAXIEMBYYGLBY-CYBMUJFWSA-N 0 0 381.889 1.774 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)c1ccccc1C(F)(F)F ZINC000195426836 645069999 /nfs/dbraw/zinc/06/99/99/645069999.db2.gz GPDIPJZBCZSKDS-LBPRGKRZSA-N 0 0 378.376 1.921 10 0 GDAERN C[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc2c(c1)OCCO2 ZINC000328727013 645274547 /nfs/dbraw/zinc/27/45/47/645274547.db2.gz UWKPIWXQYFNHNL-NSHDSACASA-N 0 0 375.468 1.015 10 0 GDAERN O=C([C@H]1CNC(=O)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000328864550 645283654 /nfs/dbraw/zinc/28/36/54/645283654.db2.gz BMWMKDBABKKRHS-SECBINFHSA-N 0 0 377.875 1.211 10 0 GDAERN O=C(c1csc(-c2nc[nH]n2)n1)N1CCCN(Cc2cscn2)CC1 ZINC000328891200 645286033 /nfs/dbraw/zinc/28/60/33/645286033.db2.gz SIHAMWJQYBNOSB-UHFFFAOYSA-N 0 0 375.483 1.733 10 0 GDAERN O=C(Nc1cc(C2CC2)[nH]n1)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000328980086 645291936 /nfs/dbraw/zinc/29/19/36/645291936.db2.gz XRKUMSIRRCCLKE-UHFFFAOYSA-N 0 0 382.467 1.622 10 0 GDAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)C[C@@H]3C)s2)CC1 ZINC000329308894 645305549 /nfs/dbraw/zinc/30/55/49/645305549.db2.gz ZACVARKAWYMTCJ-AWEZNQCLSA-N 0 0 385.555 1.945 10 0 GDAERN Cc1nc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2c2nccs2)cn1C ZINC000329329091 645306986 /nfs/dbraw/zinc/30/69/86/645306986.db2.gz YECXEZUATLYMGS-LBPRGKRZSA-N 0 0 383.499 1.217 10 0 GDAERN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000329449021 645313750 /nfs/dbraw/zinc/31/37/50/645313750.db2.gz CEULIMJMWNSXKI-WDEREUQCSA-N 0 0 380.798 1.795 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)N(S(C)(=O)=O)C1 ZINC000329878114 645334752 /nfs/dbraw/zinc/33/47/52/645334752.db2.gz KGYJHVHQJHKUSI-VNQPRFMTSA-N 0 0 386.901 1.705 10 0 GDAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000330228704 645348721 /nfs/dbraw/zinc/34/87/21/645348721.db2.gz VMGDPXJPWFMJGM-ARFHVFGLSA-N 0 0 394.559 1.053 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000371373811 645739980 /nfs/dbraw/zinc/73/99/80/645739980.db2.gz ONXKOANZSOWNSW-QQHRNGFRSA-N 0 0 376.425 1.427 10 0 GDAERN Cc1csc(S(=O)(=O)N2CCOC[C@H]2c2ncn(CC(F)(F)F)n2)c1 ZINC000577824649 651755364 /nfs/dbraw/zinc/75/53/64/651755364.db2.gz RXHOCZJQTWEJMG-JTQLQIEISA-N 0 0 396.416 1.973 10 0 GDAERN O=C([C@@H]1CCNCC1(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000580828251 651941958 /nfs/dbraw/zinc/94/19/58/651941958.db2.gz VLGRIDACFCRIEX-LBPRGKRZSA-N 0 0 393.481 1.262 10 0 GDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1cccc(F)c1I ZINC000601732938 652600444 /nfs/dbraw/zinc/60/04/44/652600444.db2.gz DJBPTFJYECGXNQ-SNVBAGLBSA-N 0 0 392.212 1.833 10 0 GDAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1cc2c(c(Br)c1)OCO2 ZINC000909166117 659941265 /nfs/dbraw/zinc/94/12/65/659941265.db2.gz OILZSCIMHJFBTJ-WZRBSPASSA-N 0 0 380.198 1.479 10 0 GDAERN O=C([O-])C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000701850177 954890678 /nfs/dbraw/zinc/89/06/78/954890678.db2.gz UYSLUZPWURTQHR-QGZVFWFLSA-N 0 0 376.453 1.275 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000704193606 977223076 /nfs/dbraw/zinc/22/30/76/977223076.db2.gz OTZCYSYKWOGRFI-HXUWFJFHSA-N 0 0 375.469 1.926 10 0 GDAERN CO[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000704193608 977223151 /nfs/dbraw/zinc/22/31/51/977223151.db2.gz OUACKXBVWWRULZ-PXNSSMCTSA-N 0 0 375.469 1.784 10 0 GDAERN COc1ccsc1S(=O)(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000158872180 530537076 /nfs/dbraw/zinc/53/70/76/530537076.db2.gz PLLCMEWTJIFWLB-HNNXBMFYSA-N 0 0 382.507 1.454 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N1CC=C(c2ccccc2F)CC1 ZINC000161865324 530564381 /nfs/dbraw/zinc/56/43/81/530564381.db2.gz GLZARZYQWVHNNM-UHFFFAOYSA-N 0 0 376.475 1.184 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000163164322 530573568 /nfs/dbraw/zinc/57/35/68/530573568.db2.gz KUOSOXYGDSSZLA-LLVKDONJSA-N 0 0 386.221 1.654 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Br)nc1)CC2 ZINC000163480852 530575519 /nfs/dbraw/zinc/57/55/19/530575519.db2.gz SJANTXBCSOXRRQ-SNVBAGLBSA-N 0 0 393.245 1.068 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000170763538 530588574 /nfs/dbraw/zinc/58/85/74/530588574.db2.gz UYZMRSWCCSEMGL-GHMZBOCLSA-N 0 0 379.214 1.660 10 0 GDAERN CN1CCO[C@@H](CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000170924331 530591848 /nfs/dbraw/zinc/59/18/48/530591848.db2.gz VVEARHIWFXRCJQ-AWEZNQCLSA-N 0 0 399.289 1.408 10 0 GDAERN C[C@@H](NC(=O)c1ccc(Br)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000171129534 530594955 /nfs/dbraw/zinc/59/49/55/530594955.db2.gz DWALGZWUXQOJLF-SECBINFHSA-N 0 0 384.255 1.983 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccnc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000030675229 530600337 /nfs/dbraw/zinc/60/03/37/530600337.db2.gz WAQPTPNRHVBNEM-RYUDHWBXSA-N 0 0 379.404 1.987 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000171666035 530602038 /nfs/dbraw/zinc/60/20/38/530602038.db2.gz HGIOGSGYZYSMKD-LLVKDONJSA-N 0 0 383.861 1.317 10 0 GDAERN C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(Cl)s1 ZINC000033192602 530611834 /nfs/dbraw/zinc/61/18/34/530611834.db2.gz BCKJISUWGWSZAP-LURJTMIESA-N 0 0 392.662 1.891 10 0 GDAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000172411798 530613295 /nfs/dbraw/zinc/61/32/95/530613295.db2.gz MSZRJRFRGHXTQZ-NSHDSACASA-N 0 0 383.861 1.131 10 0 GDAERN Cc1csc([C@H]2CCCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000173640553 530634427 /nfs/dbraw/zinc/63/44/27/530634427.db2.gz VFHAGZCEBBDMDH-ZDUSSCGKSA-N 0 0 386.543 1.765 10 0 GDAERN CCOCCN1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@H]1CC ZINC000173680744 530634875 /nfs/dbraw/zinc/63/48/75/530634875.db2.gz QICJECMWGUVJAF-OAHLLOKOSA-N 0 0 375.560 1.620 10 0 GDAERN O[C@H](COc1cccc(Br)c1)CN1CCN(c2cnccn2)CC1 ZINC000043507458 530634981 /nfs/dbraw/zinc/63/49/81/530634981.db2.gz FVFNZDXSSGSUNR-HNNXBMFYSA-N 0 0 393.285 1.801 10 0 GDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)[nH]1 ZINC000173739509 530635676 /nfs/dbraw/zinc/63/56/76/530635676.db2.gz HYFHHRUNEPIJSL-NSHDSACASA-N 0 0 376.360 1.547 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000174039129 530642096 /nfs/dbraw/zinc/64/20/96/530642096.db2.gz LANCOQRHMQKIFM-OAHLLOKOSA-N 0 0 396.285 1.112 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000040446035 530619503 /nfs/dbraw/zinc/61/95/03/530619503.db2.gz SWBNONGIOJWOIZ-LLVKDONJSA-N 0 0 379.251 1.830 10 0 GDAERN CC[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCN1C[C@@H](C)O ZINC000174620471 530651581 /nfs/dbraw/zinc/65/15/81/530651581.db2.gz GBYWKAVHKKYLKW-OLZOCXBDSA-N 0 0 388.917 1.661 10 0 GDAERN CC(=O)Cn1c(-c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000048554511 530669131 /nfs/dbraw/zinc/66/91/31/530669131.db2.gz YEJXMWBAFCHVBC-UHFFFAOYSA-N 0 0 391.225 1.452 10 0 GDAERN C[C@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccccc1Br ZINC000175734925 530669647 /nfs/dbraw/zinc/66/96/47/530669647.db2.gz WLPXPYPTILOBBU-OLZOCXBDSA-N 0 0 386.290 1.846 10 0 GDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175903768 530672622 /nfs/dbraw/zinc/67/26/22/530672622.db2.gz OAZMAEYZQIEFBE-SMDDNHRTSA-N 0 0 378.372 1.614 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176103651 530676924 /nfs/dbraw/zinc/67/69/24/530676924.db2.gz RYBLSPAZTWSKFA-NSHDSACASA-N 0 0 382.193 1.770 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000177173150 530698846 /nfs/dbraw/zinc/69/88/46/530698846.db2.gz FNOHCOWEISFANE-AWEZNQCLSA-N 0 0 379.258 1.807 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177605420 530706055 /nfs/dbraw/zinc/70/60/55/530706055.db2.gz QRLIIOWDNVELAG-CHWSQXEVSA-N 0 0 398.301 1.610 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000177610832 530707221 /nfs/dbraw/zinc/70/72/21/530707221.db2.gz RCBXEDDHFRCIBP-VXGBXAGGSA-N 0 0 384.274 1.301 10 0 GDAERN CNC(=O)[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C(C)C ZINC000178423817 530721132 /nfs/dbraw/zinc/72/11/32/530721132.db2.gz IWJQRFALOAAWLZ-CYBMUJFWSA-N 0 0 388.299 1.991 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178340497 530719306 /nfs/dbraw/zinc/71/93/06/530719306.db2.gz JVBKCVLTKQCADI-OCCSQVGLSA-N 0 0 376.210 1.557 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178709194 530726066 /nfs/dbraw/zinc/72/60/66/530726066.db2.gz XXUAHMVNNNFTAZ-CVEARBPZSA-N 0 0 380.853 1.636 10 0 GDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C(C)C ZINC000178854724 530729640 /nfs/dbraw/zinc/72/96/40/530729640.db2.gz IJRNCXXBXWXCGU-UONOGXRCSA-N 0 0 396.285 1.689 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)C(C)C ZINC000179057205 530734026 /nfs/dbraw/zinc/73/40/26/530734026.db2.gz IBZXOFDQVBCCJD-GFCCVEGCSA-N 0 0 384.234 1.182 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c(Br)n1 ZINC000179783409 530750123 /nfs/dbraw/zinc/75/01/23/530750123.db2.gz FWZYVFRVUTWWMV-GFCCVEGCSA-N 0 0 397.273 1.024 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c(Br)n1 ZINC000179808692 530750678 /nfs/dbraw/zinc/75/06/78/530750678.db2.gz BVPPSPQUNDWLKP-LLVKDONJSA-N 0 0 393.245 1.546 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3cccnc3Cl)CC2)s1 ZINC000179843964 530751105 /nfs/dbraw/zinc/75/11/05/530751105.db2.gz YSPNIIYCSLXOOA-UHFFFAOYSA-N 0 0 379.873 1.783 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000179846536 530751650 /nfs/dbraw/zinc/75/16/50/530751650.db2.gz WJUSVWZNYBQJDW-STQMWFEESA-N 0 0 376.210 1.557 10 0 GDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000180096187 530757646 /nfs/dbraw/zinc/75/76/46/530757646.db2.gz HRJKXYMVPMHRQW-UHFFFAOYSA-N 0 0 384.889 1.534 10 0 GDAERN Cc1nc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)sc1Br ZINC000180088983 530757752 /nfs/dbraw/zinc/75/77/52/530757752.db2.gz PEBXFMIQTDIJKT-SNVBAGLBSA-N 0 0 396.332 1.309 10 0 GDAERN COc1ccc(Br)cc1CC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181352768 530782489 /nfs/dbraw/zinc/78/24/89/530782489.db2.gz NGLIIOCEVYQRCT-HNNXBMFYSA-N 0 0 393.285 1.907 10 0 GDAERN CCn1c(N)c(C(=O)CN[C@H](C)c2cccc(Br)c2)c(=O)[nH]c1=O ZINC000182572661 530801044 /nfs/dbraw/zinc/80/10/44/530801044.db2.gz MKTFJWJJPBYIMX-SECBINFHSA-N 0 0 395.257 1.435 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)c1Br ZINC000181694621 530789164 /nfs/dbraw/zinc/78/91/64/530789164.db2.gz BQSULWLKXOREFT-CYBMUJFWSA-N 0 0 399.314 1.826 10 0 GDAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000181698313 530789178 /nfs/dbraw/zinc/78/91/78/530789178.db2.gz HMQDCWSSSPDHBZ-AWEZNQCLSA-N 0 0 385.287 1.518 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 ZINC000181689482 530789626 /nfs/dbraw/zinc/78/96/26/530789626.db2.gz HFNUYVRNKFROSN-AWEZNQCLSA-N 0 0 399.314 1.826 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000182110072 530794912 /nfs/dbraw/zinc/79/49/12/530794912.db2.gz SAAIVTSQSAKMEJ-LLVKDONJSA-N 0 0 387.824 1.612 10 0 GDAERN O=C(CS(=O)(=O)Cc1csc(Br)c1)NC1CCOCC1 ZINC000102794009 530829927 /nfs/dbraw/zinc/82/99/27/530829927.db2.gz KRQDZMPGEZNNCZ-UHFFFAOYSA-N 0 0 382.301 1.721 10 0 GDAERN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@H](O)C[C@@H]1CO ZINC000184726841 530831628 /nfs/dbraw/zinc/83/16/28/530831628.db2.gz SWKGNPQEUZPLNP-GYSYKLTISA-N 0 0 376.222 1.620 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000184851813 530832514 /nfs/dbraw/zinc/83/25/14/530832514.db2.gz IXIVSZIMYILHPS-ZDUSSCGKSA-N 0 0 390.315 1.898 10 0 GDAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)[nH]1 ZINC000183208074 530811376 /nfs/dbraw/zinc/81/13/76/530811376.db2.gz ODZKAXPKPHJAIY-NSHDSACASA-N 0 0 396.245 1.747 10 0 GDAERN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000183609306 530818064 /nfs/dbraw/zinc/81/80/64/530818064.db2.gz MSLVJNXHBKXVRB-VIFPVBQESA-N 0 0 397.266 1.206 10 0 GDAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccs3)C(=O)C2)cc1 ZINC000184097169 530824431 /nfs/dbraw/zinc/82/44/31/530824431.db2.gz FYUGVVDMEDWYJO-UHFFFAOYSA-N 0 0 378.475 1.782 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000185924443 530848065 /nfs/dbraw/zinc/84/80/65/530848065.db2.gz KXZOPVADEWLKGP-LBPRGKRZSA-N 0 0 387.259 1.863 10 0 GDAERN C[C@@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000186142625 530852492 /nfs/dbraw/zinc/85/24/92/530852492.db2.gz RYLKPAQRBNWTGK-SNVBAGLBSA-N 0 0 390.303 1.701 10 0 GDAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(Br)cc2)C1)C1CCC1 ZINC000186181912 530852645 /nfs/dbraw/zinc/85/26/45/530852645.db2.gz IIMQBQMEIRRCAK-UHFFFAOYSA-N 0 0 387.299 1.879 10 0 GDAERN O=C(CN[C@H](c1ccc(Br)cc1)c1cncnc1)N1CCOCC1 ZINC000186310526 530855469 /nfs/dbraw/zinc/85/54/69/530855469.db2.gz VTKWXWFOYUJXRM-QGZVFWFLSA-N 0 0 391.269 1.777 10 0 GDAERN Cc1cnn([C@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)c1 ZINC000109685793 530864130 /nfs/dbraw/zinc/86/41/30/530864130.db2.gz OZDFLHZPYVEJDS-AWEZNQCLSA-N 0 0 379.258 1.979 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110878988 530870717 /nfs/dbraw/zinc/87/07/17/530870717.db2.gz VTOSZBXKFZSEIP-LLVKDONJSA-N 0 0 384.255 1.667 10 0 GDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)Cc3ccc(Cl)nc3)CCO2)n1 ZINC000111345336 530873763 /nfs/dbraw/zinc/87/37/63/530873763.db2.gz HWQXWCMMIOPFQU-OAHLLOKOSA-N 0 0 384.889 1.779 10 0 GDAERN COCC(=O)NC1CN(C(=O)CCCc2ccc(Br)s2)C1 ZINC000185236729 530838480 /nfs/dbraw/zinc/83/84/80/530838480.db2.gz NPIIZBIKCOYUMF-UHFFFAOYSA-N 0 0 375.288 1.807 10 0 GDAERN CN1CCO[C@@H](CNC(=O)Nc2ccccc2I)C1 ZINC000105280891 530842267 /nfs/dbraw/zinc/84/22/67/530842267.db2.gz DNHIOLKHWXHHCE-JTQLQIEISA-N 0 0 375.210 1.743 10 0 GDAERN CC(=O)NCCCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570208 530842724 /nfs/dbraw/zinc/84/27/24/530842724.db2.gz SCYFCGMNMAFDOC-UHFFFAOYSA-N 0 0 395.261 1.560 10 0 GDAERN COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000185506497 530843287 /nfs/dbraw/zinc/84/32/87/530843287.db2.gz DDUVQBGNCGERCD-LDYMZIIASA-N 0 0 380.750 1.906 10 0 GDAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000185628945 530844461 /nfs/dbraw/zinc/84/44/61/530844461.db2.gz YQMMRGGSCVVFBW-CQSZACIVSA-N 0 0 399.266 1.477 10 0 GDAERN Cc1c(C(=O)N2CCNC(=O)CC2)cnn1-c1cccc(Br)c1 ZINC000106019414 530845348 /nfs/dbraw/zinc/84/53/48/530845348.db2.gz XPOAJPLNZSERIT-UHFFFAOYSA-N 0 0 377.242 1.905 10 0 GDAERN O=C(c1c[nH]nc1-c1ccsc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000188770123 530901110 /nfs/dbraw/zinc/90/11/10/530901110.db2.gz PFWJIKYMBRWWNC-ZDUSSCGKSA-N 0 0 380.495 1.778 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000188888064 530903270 /nfs/dbraw/zinc/90/32/70/530903270.db2.gz FXUYTSVFCZIPLJ-SECBINFHSA-N 0 0 389.271 1.203 10 0 GDAERN CCS(=O)(=O)N1CCC(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000187681832 530876514 /nfs/dbraw/zinc/87/65/14/530876514.db2.gz ZWWTXUGUKBJVFV-HOTGVXAUSA-N 0 0 386.539 1.344 10 0 GDAERN Cc1cc(Br)c2c(c1)CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)CC2 ZINC000189233607 530910716 /nfs/dbraw/zinc/91/07/16/530910716.db2.gz RQDXLLVEDVTPHI-CYBMUJFWSA-N 0 0 394.313 1.840 10 0 GDAERN Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1I ZINC000112656710 530883207 /nfs/dbraw/zinc/88/32/07/530883207.db2.gz IBNCFUWQEWCEPC-LLVKDONJSA-N 0 0 382.205 1.936 10 0 GDAERN COc1ccc(Br)cc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112747013 530884937 /nfs/dbraw/zinc/88/49/37/530884937.db2.gz JONOPZZUUCSIOC-GFCCVEGCSA-N 0 0 380.246 1.863 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000188178535 530887805 /nfs/dbraw/zinc/88/78/05/530887805.db2.gz FMOAVWQHOHZRJE-NHYWBVRUSA-N 0 0 398.301 1.954 10 0 GDAERN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000113305362 530889235 /nfs/dbraw/zinc/88/92/35/530889235.db2.gz UNSXJGKBELJODE-VXGBXAGGSA-N 0 0 392.930 1.601 10 0 GDAERN O=C(NC1CN(C(=O)NCCOc2cccc(Br)c2)C1)C1CC1 ZINC000190387188 530929927 /nfs/dbraw/zinc/92/99/27/530929927.db2.gz KRJNWONDVDHWFX-UHFFFAOYSA-N 0 0 382.258 1.748 10 0 GDAERN COCCN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C ZINC000117292926 530912137 /nfs/dbraw/zinc/91/21/37/530912137.db2.gz IIWYVLSYDYRYBQ-GFCCVEGCSA-N 0 0 376.425 1.476 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000117522293 530912569 /nfs/dbraw/zinc/91/25/69/530912569.db2.gz ZQJLYNQZRMYXKK-LBPRGKRZSA-N 0 0 384.274 1.567 10 0 GDAERN O=C(NC1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1)C1CC1 ZINC000189426096 530912818 /nfs/dbraw/zinc/91/28/18/530912818.db2.gz XMONPOQGQRWFFZ-UHFFFAOYSA-N 0 0 389.253 1.985 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)C(N)=O ZINC000189548885 530916103 /nfs/dbraw/zinc/91/61/03/530916103.db2.gz FBFBLTMPOUNBFM-JTQLQIEISA-N 0 0 376.638 1.667 10 0 GDAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)CCc2cccs2)ncn1 ZINC000189673947 530918749 /nfs/dbraw/zinc/91/87/49/530918749.db2.gz RTCQSSOPPNFQDN-ZDUSSCGKSA-N 0 0 381.527 1.711 10 0 GDAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119149432 530922529 /nfs/dbraw/zinc/92/25/29/530922529.db2.gz QWGLDSZERXMFAY-URWSZGRFSA-N 0 0 386.905 1.422 10 0 GDAERN O=C(COc1ccc(F)cc1Cl)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120046328 530935067 /nfs/dbraw/zinc/93/50/67/530935067.db2.gz 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530948268 /nfs/dbraw/zinc/94/82/68/530948268.db2.gz RCGDGBITHHGZHT-OLZOCXBDSA-N 0 0 395.301 1.948 10 0 GDAERN Cc1[nH]cc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)c(=O)c1Br ZINC000192327340 530966697 /nfs/dbraw/zinc/96/66/97/530966697.db2.gz RLLDVUYFKZSQMQ-MRVPVSSYSA-N 0 0 377.260 1.507 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000122147961 530967784 /nfs/dbraw/zinc/96/77/84/530967784.db2.gz FCWWJMKWNCVPPI-CQSZACIVSA-N 0 0 383.495 1.530 10 0 GDAERN CN(CC(F)(F)F)C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000124508239 530996806 /nfs/dbraw/zinc/99/68/06/530996806.db2.gz KBWCCIZIOJKEAN-NSHDSACASA-N 0 0 375.372 1.621 10 0 GDAERN Cc1cc(I)ccc1NC(=O)CSC[C@H](O)CO ZINC000123582814 530985797 /nfs/dbraw/zinc/98/57/97/530985797.db2.gz QIUGUAPTWPDHKV-SNVBAGLBSA-N 0 0 381.235 1.625 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1Br ZINC000123647329 530986078 /nfs/dbraw/zinc/98/60/78/530986078.db2.gz PSQVHONEORFDAK-GFCCVEGCSA-N 0 0 393.278 1.730 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(I)ccc2O)C1 ZINC000193576666 530989684 /nfs/dbraw/zinc/98/96/84/530989684.db2.gz ROILCBCJDQOFLQ-LLVKDONJSA-N 0 0 388.205 1.738 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000194830424 531010734 /nfs/dbraw/zinc/01/07/34/531010734.db2.gz TWDMRSWEJVZALR-AWEZNQCLSA-N 0 0 379.869 1.643 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000195428945 531022474 /nfs/dbraw/zinc/02/24/74/531022474.db2.gz HIYKMOKHHVONEM-SECBINFHSA-N 0 0 389.840 1.989 10 0 GDAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(Br)cc1-n1cncn1 ZINC000127740682 531033410 /nfs/dbraw/zinc/03/34/10/531033410.db2.gz SYUHENGOEHHFIE-GFCCVEGCSA-N 0 0 388.229 1.886 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246011034 531062500 /nfs/dbraw/zinc/06/25/00/531062500.db2.gz YLOLUEFLYQEXKI-AAEUAGOBSA-N 0 0 386.905 1.546 10 0 GDAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000246248042 531065650 /nfs/dbraw/zinc/06/56/50/531065650.db2.gz SHGBQEJNINPGIM-CABCVRRESA-N 0 0 385.555 1.674 10 0 GDAERN CCn1c(N)c(C(=O)CN[C@@H](C)c2ccccc2Br)c(=O)[nH]c1=O ZINC000128013272 531036153 /nfs/dbraw/zinc/03/61/53/531036153.db2.gz GHAKRXHYJIFNMO-VIFPVBQESA-N 0 0 395.257 1.435 10 0 GDAERN C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128053454 531037148 /nfs/dbraw/zinc/03/71/48/531037148.db2.gz SIKRDBVSPLRTTJ-TZMCWYRMSA-N 0 0 387.274 1.026 10 0 GDAERN CCn1c(N)c(C(=O)CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O ZINC000128118618 531037594 /nfs/dbraw/zinc/03/75/94/531037594.db2.gz UQFOTKFFPVBQAL-MRVPVSSYSA-N 0 0 385.251 1.979 10 0 GDAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000247780503 531076937 /nfs/dbraw/zinc/07/69/37/531076937.db2.gz RUKGCGNETWVMMW-LSDHHAIUSA-N 0 0 379.258 1.573 10 0 GDAERN COC[C@@H](C)S(=O)(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000248440832 531078480 /nfs/dbraw/zinc/07/84/80/531078480.db2.gz JTNQZQISYDEKPE-ZWNOBZJWSA-N 0 0 380.388 1.543 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000134117753 531097889 /nfs/dbraw/zinc/09/78/89/531097889.db2.gz JSVGOECGLRGYIJ-SNVBAGLBSA-N 0 0 380.246 1.884 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(Cl)c1 ZINC000134704868 531103375 /nfs/dbraw/zinc/10/33/75/531103375.db2.gz QXVWVLWMGKMXER-CYBMUJFWSA-N 0 0 392.930 1.837 10 0 GDAERN CN(C)C(=O)CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137348774 531118119 /nfs/dbraw/zinc/11/81/19/531118119.db2.gz MNZORQJYMBECPQ-JTQLQIEISA-N 0 0 378.782 1.927 10 0 GDAERN C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1nnc2n1CCCC2 ZINC000150968765 531131744 /nfs/dbraw/zinc/13/17/44/531131744.db2.gz XWQFNGCQFOSUHK-VIFPVBQESA-N 0 0 396.245 1.577 10 0 GDAERN Cc1ccc([C@@H](CNC(=O)[C@H](C)N2CCSCC2)N2CCOCC2)s1 ZINC000153324180 531166192 /nfs/dbraw/zinc/16/61/92/531166192.db2.gz LIOHGYDRYNIFHR-JKSUJKDBSA-N 0 0 383.583 1.983 10 0 GDAERN CCS(=O)(=O)CCN(C)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000153512446 531168779 /nfs/dbraw/zinc/16/87/79/531168779.db2.gz DBLIIFCGKBQUCP-HNNXBMFYSA-N 0 0 388.917 1.988 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCS1 ZINC000264200977 531172438 /nfs/dbraw/zinc/17/24/38/531172438.db2.gz IVFBEWYKQUKNDG-NSHDSACASA-N 0 0 375.541 1.330 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cncc(Br)c1 ZINC000154395450 531183224 /nfs/dbraw/zinc/18/32/24/531183224.db2.gz XQQZWAVWVKUZAC-AWEZNQCLSA-N 0 0 392.257 1.979 10 0 GDAERN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)N1CCOCC1 ZINC000155916448 531203595 /nfs/dbraw/zinc/20/35/95/531203595.db2.gz WRAUYJKOYAXRBH-LLVKDONJSA-N 0 0 394.269 1.741 10 0 GDAERN NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000407956958 531208600 /nfs/dbraw/zinc/20/86/00/531208600.db2.gz KHEAAQCXMVODMG-IVMMDQJWSA-N 0 0 399.310 1.542 10 0 GDAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000408032535 531213312 /nfs/dbraw/zinc/21/33/12/531213312.db2.gz YHUMQHWOFPLRDJ-INIZCTEOSA-N 0 0 390.864 1.617 10 0 GDAERN O=C(Nc1ccncc1Br)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408162420 531222930 /nfs/dbraw/zinc/22/29/30/531222930.db2.gz WLXCUSKBPGNAOK-ZDUSSCGKSA-N 0 0 399.314 1.838 10 0 GDAERN O=C1CC[C@H](NS(=O)(=O)c2ccc(Br)o2)[C@H]([C@H]2CCCO2)N1 ZINC000408207432 531225463 /nfs/dbraw/zinc/22/54/63/531225463.db2.gz RZHOZRKHNYBQNM-IGJMFERPSA-N 0 0 393.259 1.147 10 0 GDAERN C[C@H]1[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1(F)F ZINC000408232722 531227461 /nfs/dbraw/zinc/22/74/61/531227461.db2.gz VQVFZRUNILYYBK-FZMZJTMJSA-N 0 0 376.400 1.950 10 0 GDAERN O=C(Nc1ccc(Cl)cc1I)N1C[C@@H](O)C[C@@H]1CO ZINC000408238456 531228374 /nfs/dbraw/zinc/22/83/74/531228374.db2.gz XKZKAORLWYVPSO-BDAKNGLRSA-N 0 0 396.612 1.904 10 0 GDAERN Cc1c(Br)cccc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000408432839 531240198 /nfs/dbraw/zinc/24/01/98/531240198.db2.gz IRZHKCHWLHLHPM-RYUDHWBXSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000408429651 531240627 /nfs/dbraw/zinc/24/06/27/531240627.db2.gz LQJJWROCDIGZRG-WCQYABFASA-N 0 0 379.404 1.442 10 0 GDAERN CN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N1CCOCC1 ZINC000408444963 531242656 /nfs/dbraw/zinc/24/26/56/531242656.db2.gz VWRPCMOHUDXHIB-CYBMUJFWSA-N 0 0 391.287 1.782 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1 ZINC000408446224 531242778 /nfs/dbraw/zinc/24/27/78/531242778.db2.gz IKKVOOHTGXGXSG-UHFFFAOYSA-N 0 0 375.535 1.382 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H](F)C[C@H]3CO)C2)s1 ZINC000368424258 531911177 /nfs/dbraw/zinc/91/11/77/531911177.db2.gz IFJYEVPXYZSLRC-MJBXVCDLSA-N 0 0 390.502 1.389 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C[C@H]21 ZINC000283996858 531919251 /nfs/dbraw/zinc/91/92/51/531919251.db2.gz BHQDDFNXTDLGHW-KGLIPLIRSA-N 0 0 379.258 1.871 10 0 GDAERN C[C@H](CS(C)(=O)=O)NC(=O)c1csc(-c2ccc3c(c2)CCN3C)n1 ZINC000368928338 531936202 /nfs/dbraw/zinc/93/62/02/531936202.db2.gz DYPGIOLLCKGCPD-LLVKDONJSA-N 0 0 379.507 1.965 10 0 GDAERN C[C@@H](CS(C)(=O)=O)NC(=O)c1csc(-c2ccc3c(c2)CCN3C)n1 ZINC000368928339 531937110 /nfs/dbraw/zinc/93/71/10/531937110.db2.gz DYPGIOLLCKGCPD-NSHDSACASA-N 0 0 379.507 1.965 10 0 GDAERN Cc1nc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)sc1Br ZINC000284717239 531984722 /nfs/dbraw/zinc/98/47/22/531984722.db2.gz QZECTXNTTALVQJ-ZJUUUORDSA-N 0 0 396.332 1.308 10 0 GDAERN COC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC(C)(C)O1 ZINC000284890732 532003604 /nfs/dbraw/zinc/00/36/04/532003604.db2.gz HBJGLZUAOMFMBI-NSHDSACASA-N 0 0 379.276 1.659 10 0 GDAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000329179175 532098278 /nfs/dbraw/zinc/09/82/78/532098278.db2.gz CYBKBCJRQRDJIT-OJAKKHQRSA-N 0 0 384.420 1.272 10 0 GDAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CCO1 ZINC000374224507 532114290 /nfs/dbraw/zinc/11/42/90/532114290.db2.gz JGGQXSFXSBYLQT-RLFYNMQTSA-N 0 0 393.281 1.626 10 0 GDAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000332740393 532208600 /nfs/dbraw/zinc/20/86/00/532208600.db2.gz BZZMEYYJFQBXNF-STQMWFEESA-N 0 0 386.279 1.793 10 0 GDAERN C[C@@H]1CCCc2nc(S(=O)(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)cn21 ZINC000333227843 532226159 /nfs/dbraw/zinc/22/61/59/532226159.db2.gz XRMUWYHHTSSLED-JHJVBQTASA-N 0 0 375.516 1.415 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(c(Br)c2)OCO3)n1 ZINC000275305388 532285577 /nfs/dbraw/zinc/28/55/77/532285577.db2.gz HXSZJCJDZUZVDI-MWLCHTKSSA-N 0 0 396.197 1.817 10 0 GDAERN CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000098091700 209136253 /nfs/dbraw/zinc/13/62/53/209136253.db2.gz UIHAMDONOCRMPP-IAGOWNOFSA-N 0 0 391.445 1.485 10 0 GDAERN CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000098091701 209135509 /nfs/dbraw/zinc/13/55/09/209135509.db2.gz UIHAMDONOCRMPP-DLBZAZTESA-N 0 0 391.445 1.485 10 0 GDAERN Cc1cc(=O)n2[n-]cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2n1 ZINC000067225543 206226063 /nfs/dbraw/zinc/22/60/63/206226063.db2.gz GHESYUHQPZYTHT-UHFFFAOYSA-N 0 0 395.419 1.018 10 0 GDAERN CC(C)n1cc(C[C@H]2NC(=O)N(CC(=O)N3c4ccccc4C[C@@H]3C)C2=O)nn1 ZINC000328610121 206231409 /nfs/dbraw/zinc/23/14/09/206231409.db2.gz GMPSKVLYGFGLJK-XJKSGUPXSA-N 0 0 396.451 1.504 10 0 GDAERN O[C@@H]1CO[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H]1O ZINC000056960441 206278401 /nfs/dbraw/zinc/27/84/01/206278401.db2.gz LXVCKAHHHVVOJV-HPXOCHMKSA-N 0 0 378.606 1.402 10 0 GDAERN CCn1c2ccccc2n(CC(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1=O ZINC000186649759 206308266 /nfs/dbraw/zinc/30/82/66/206308266.db2.gz VRUYUHOPNMUPAX-HNNXBMFYSA-N 0 0 388.468 1.220 10 0 GDAERN O=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(OCc2ccccc2)c1 ZINC000006096461 206638918 /nfs/dbraw/zinc/63/89/18/206638918.db2.gz CSXNPJKDZKLDET-UHFFFAOYSA-N 0 0 382.416 1.673 10 0 in-vivo GDAERN CCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C ZINC000008582913 206755532 /nfs/dbraw/zinc/75/55/32/206755532.db2.gz KXXXLJZHUZLEFX-UHFFFAOYSA-N 0 0 397.460 1.587 10 0 GDAERN O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1cnccn1 ZINC000014967061 207035184 /nfs/dbraw/zinc/03/51/84/207035184.db2.gz XFAPPMRUPNRXOW-QTWIXLPOSA-N 0 0 379.464 1.039 10 0 GDAERN CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)CCCCC1 ZINC000019745500 207157963 /nfs/dbraw/zinc/15/79/63/207157963.db2.gz JZMUANKLMVOQQW-QGZVFWFLSA-N 0 0 393.528 1.892 10 0 GDAERN CCOC(=O)CN1C(=O)[C@@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OC)=C1C ZINC000020167601 207181620 /nfs/dbraw/zinc/18/16/20/207181620.db2.gz MVKZCXYSHJJXHN-FQEVSTJZSA-N 0 0 397.387 1.376 10 0 GDAERN CCOC(=O)C1=C(C)OC(=O)[C@]12c1ccccc1N(C)C(N)=C2C(=O)OCC ZINC000020609476 207207873 /nfs/dbraw/zinc/20/78/73/207207873.db2.gz HFMUCXRCIHUEGY-HXUWFJFHSA-N 0 0 386.404 1.502 10 0 GDAERN COC(=O)c1cc(S(=O)(=O)NCc2c[nH]nc2C)c(Br)s1 ZINC000038012278 207251902 /nfs/dbraw/zinc/25/19/02/207251902.db2.gz WFXSQQSLNODJID-UHFFFAOYSA-N 0 0 394.272 1.807 10 0 GDAERN CCn1c(=O)[nH]nc1[C@@H]1CCCN(C(=O)c2[nH]nc(N)c2-c2ccccc2)C1 ZINC000067855916 207911057 /nfs/dbraw/zinc/91/10/57/207911057.db2.gz KLGZYAZUGNBPDH-CYBMUJFWSA-N 0 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570554536 /nfs/dbraw/zinc/55/45/36/570554536.db2.gz WXBULUBAFFDUKX-GOSISDBHSA-N 0 0 375.469 1.196 10 0 GDAERN CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCCCOC)CC1 ZINC000036157604 570554578 /nfs/dbraw/zinc/55/45/78/570554578.db2.gz HVELBJXFRFMNPC-LJQANCHMSA-N 0 0 389.496 1.586 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)c(F)cc1F ZINC000275287431 570688815 /nfs/dbraw/zinc/68/88/15/570688815.db2.gz LGMJRMWZYRZZIL-INIZCTEOSA-N 0 0 385.392 1.816 10 0 GDAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H](c4ncno4)C3)cc21 ZINC000170606655 570865181 /nfs/dbraw/zinc/86/51/81/570865181.db2.gz FPUCPDPCVMXMDR-CQSZACIVSA-N 0 0 376.438 1.547 10 0 GDAERN CCOC(=O)Cn1cnc2c1c(=O)n(CC1CC1)c(=O)n2-c1cccc(F)c1 ZINC000037558765 571031309 /nfs/dbraw/zinc/03/13/09/571031309.db2.gz XVYKZMJOOAEQOG-UHFFFAOYSA-N 0 0 386.383 1.461 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1scc(Br)c1Br ZINC000528950388 649931824 /nfs/dbraw/zinc/93/18/24/649931824.db2.gz WWBGIVBBXXPNIM-ZCFIWIBFSA-N 0 0 398.076 1.599 10 0 GDAERN Cn1nc(Br)c2c1ncn(C[C@H](O)c1cc(F)ccc1F)c2=O ZINC000102779829 644600175 /nfs/dbraw/zinc/60/01/75/644600175.db2.gz PFOZVQPGJDKQKY-JTQLQIEISA-N 0 0 385.168 1.904 10 0 GDAERN Cc1nc(CNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)sc1C ZINC000126193603 644719169 /nfs/dbraw/zinc/71/91/69/644719169.db2.gz HGZVGLSADZQWIV-SNVBAGLBSA-N 0 0 378.479 1.503 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CCN1C[C@@H](C)O ZINC000163475546 644860486 /nfs/dbraw/zinc/86/04/86/644860486.db2.gz JBLKPHVAOCPWQD-DGCLKSJQSA-N 0 0 399.289 1.086 10 0 GDAERN C[C@@H](C(=O)Nc1cnc(Br)cn1)N1C(=O)c2ccccc2C1=O ZINC000174064572 644896639 /nfs/dbraw/zinc/89/66/39/644896639.db2.gz HWRFXMMVFNGJKR-QMMMGPOBSA-N 0 0 375.182 1.862 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186722647 644995321 /nfs/dbraw/zinc/99/53/21/644995321.db2.gz MRPUFVCCCQWDAH-LBPRGKRZSA-N 0 0 384.420 1.561 10 0 GDAERN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2nn3c(c2Br)OCCC3)C1 ZINC000223791111 645074672 /nfs/dbraw/zinc/07/46/72/645074672.db2.gz OAUNNPSGLHJGST-LLVKDONJSA-N 0 0 399.289 1.805 10 0 GDAERN O=C(c1cc(Cl)ccc1I)N1CCOC[C@@H]1CO ZINC000236497996 645080661 /nfs/dbraw/zinc/08/06/61/645080661.db2.gz GGVBTTIXTKXDND-VIFPVBQESA-N 0 0 381.597 1.778 10 0 GDAERN CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)/C=C\c1ccccc1)CC2 ZINC000255421722 645109869 /nfs/dbraw/zinc/10/98/69/645109869.db2.gz WNGIYHPGCPWZHN-BENRWUELSA-N 0 0 378.475 1.958 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3cnn4cc(Br)cnc34)C[C@H]21 ZINC000328847391 645281847 /nfs/dbraw/zinc/28/18/47/645281847.db2.gz AQKCSLKWKOKLIW-OLZOCXBDSA-N 0 0 380.246 1.037 10 0 GDAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3csc(-c4ccccc4)n3)C[C@H]21 ZINC000328887970 645285336 /nfs/dbraw/zinc/28/53/36/645285336.db2.gz PVOSBLLWJYYXFR-HUUCEWRRSA-N 0 0 379.507 1.904 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1[nH]nc(C3CC3)c1Br)CC2 ZINC000329312106 645306044 /nfs/dbraw/zinc/30/60/44/645306044.db2.gz RHTFLYKDCXSEDP-SECBINFHSA-N 0 0 379.262 1.948 10 0 GDAERN Cc1nc([C@@H]2CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)sc1C ZINC000329733844 645326477 /nfs/dbraw/zinc/32/64/77/645326477.db2.gz JYHDFBPVWOPVNT-CYBMUJFWSA-N 0 0 392.568 1.846 10 0 GDAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCc2cncnc2C1 ZINC000329846605 645333192 /nfs/dbraw/zinc/33/31/92/645333192.db2.gz OYVVHTSVRIIDIE-UHFFFAOYSA-N 0 0 396.266 1.921 10 0 GDAERN CN1C[C@@H](CNC(=O)c2ccc(F)cc2I)CC1=O ZINC000598264539 652469363 /nfs/dbraw/zinc/46/93/63/652469363.db2.gz YBSPEUQHFUYTGJ-MRVPVSSYSA-N 0 0 376.169 1.638 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N[C@@H]2CCCn3nc(C)nc32)n1 ZINC000892857286 658355777 /nfs/dbraw/zinc/35/57/77/658355777.db2.gz VPXHLAVDODPOIR-SNVBAGLBSA-N 0 0 381.234 1.685 10 0 GDAERN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689192279 954642352 /nfs/dbraw/zinc/64/23/52/954642352.db2.gz XCAAOXYDPZQZTG-IRXDYDNUSA-N 0 0 381.498 1.234 10 0 GDAERN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000712828815 977605424 /nfs/dbraw/zinc/60/54/24/977605424.db2.gz BVKFTIYLQUFFEY-ZIFCJYIRSA-N 0 0 396.509 1.138 10 0 GDAERN O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000715536764 977765369 /nfs/dbraw/zinc/76/53/69/977765369.db2.gz CEXFQSAMKIBTLP-RCCFBDPRSA-N 0 0 375.469 1.688 10 0 GDAERN CN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000720046143 978023733 /nfs/dbraw/zinc/02/37/33/978023733.db2.gz WISTWYPDUOWGFP-QGZVFWFLSA-N 0 0 383.514 1.624 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)cn1 ZINC000162709253 530570388 /nfs/dbraw/zinc/57/03/88/530570388.db2.gz GEFZIQCULLRWAN-UHFFFAOYSA-N 0 0 382.511 1.233 10 0 GDAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000163588226 530576534 /nfs/dbraw/zinc/57/65/34/530576534.db2.gz UXPKQCYMYZWXAH-CYBMUJFWSA-N 0 0 395.253 1.892 10 0 GDAERN Cc1nc(C(=O)NC[C@@H]2CN(C)CCO2)nn1-c1c(Cl)cccc1Cl ZINC000170853798 530590104 /nfs/dbraw/zinc/59/01/04/530590104.db2.gz OKRNKOCSBPAZKT-LLVKDONJSA-N 0 0 384.267 1.943 10 0 GDAERN Cn1c(=O)oc2cc(S(=O)(=O)N3CCO[C@@H](c4nccs4)C3)ccc21 ZINC000171769748 530602780 /nfs/dbraw/zinc/60/27/80/530602780.db2.gz NSBPOLXZTMKSFK-CYBMUJFWSA-N 0 0 381.435 1.350 10 0 GDAERN Cc1sc(=O)n(CCC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1C ZINC000172193272 530609925 /nfs/dbraw/zinc/60/99/25/530609925.db2.gz RBKVAAWDCDQBHE-CQSZACIVSA-N 0 0 380.491 1.952 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCC(O)CC3)C2)s1 ZINC000041946068 530625077 /nfs/dbraw/zinc/62/50/77/530625077.db2.gz QIMDIXKTJFTUMG-NFOMZHRRSA-N 0 0 386.539 1.877 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173350670 530628220 /nfs/dbraw/zinc/62/82/20/530628220.db2.gz YMNOQBNNYHUAQJ-AWEZNQCLSA-N 0 0 396.285 1.629 10 0 GDAERN Cc1ccc(N2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)nn1 ZINC000173566414 530632834 /nfs/dbraw/zinc/63/28/34/530632834.db2.gz VLQKZDVSIROVTI-UHFFFAOYSA-N 0 0 392.257 1.588 10 0 GDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H](N4CCOCC4)C3)cc(Cl)c2O1 ZINC000173646077 530634297 /nfs/dbraw/zinc/63/42/97/530634297.db2.gz LIGXTUFOBGVODQ-JSGCOSHPSA-N 0 0 386.901 1.759 10 0 GDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)[nH]1 ZINC000173740889 530636193 /nfs/dbraw/zinc/63/61/93/530636193.db2.gz NAXXRPOAWJKCPI-VIFPVBQESA-N 0 0 376.360 1.547 10 0 GDAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000173795741 530636897 /nfs/dbraw/zinc/63/68/97/530636897.db2.gz XWYSYYQYELZCSS-NSHDSACASA-N 0 0 378.230 1.326 10 0 GDAERN O=C([O-])c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)s1 ZINC000037837212 530616889 /nfs/dbraw/zinc/61/68/89/530616889.db2.gz AMFYISUVMNTKMQ-MRVPVSSYSA-N 0 0 395.300 1.678 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000176282171 530680785 /nfs/dbraw/zinc/68/07/85/530680785.db2.gz CAAVNHCVMAJGNJ-SECBINFHSA-N 0 0 398.286 1.792 10 0 GDAERN O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CCCn2ncnc21 ZINC000175823577 530671170 /nfs/dbraw/zinc/67/11/70/530671170.db2.gz UOJFBIPYXPDYGZ-GFCCVEGCSA-N 0 0 383.861 1.251 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000175822589 530671526 /nfs/dbraw/zinc/67/15/26/530671526.db2.gz OMQJYXYHKFUYAH-GFCCVEGCSA-N 0 0 378.230 1.422 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000176020043 530674902 /nfs/dbraw/zinc/67/49/02/530674902.db2.gz XTTNOYDWPDUGSN-GFCCVEGCSA-N 0 0 378.230 1.939 10 0 GDAERN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCCC[C@H]1c1nccs1 ZINC000176222140 530678895 /nfs/dbraw/zinc/67/88/95/530678895.db2.gz PCZJNUFLEAUJAH-GXTWGEPZSA-N 0 0 378.479 1.927 10 0 GDAERN COc1nc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)ncc1Br ZINC000176262800 530679925 /nfs/dbraw/zinc/67/99/25/530679925.db2.gz APPSCSAIFHVRCT-NSHDSACASA-N 0 0 395.261 1.897 10 0 GDAERN CC(C)CS(=O)(=O)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000176601245 530686828 /nfs/dbraw/zinc/68/68/28/530686828.db2.gz JTMPEJHQQBCJDI-GJZGRUSLSA-N 0 0 388.555 1.697 10 0 GDAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3sc(C)nc3C)CC2)n1 ZINC000176915859 530694117 /nfs/dbraw/zinc/69/41/17/530694117.db2.gz LPRGNEZBRPHKMT-LLVKDONJSA-N 0 0 385.515 1.773 10 0 GDAERN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1Br ZINC000054066289 530698244 /nfs/dbraw/zinc/69/82/44/530698244.db2.gz NKJBFSFABSAKDI-LLVKDONJSA-N 0 0 390.303 1.797 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000177411580 530702647 /nfs/dbraw/zinc/70/26/47/530702647.db2.gz GYKRYBBVZFPOAO-JTQLQIEISA-N 0 0 399.332 1.369 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1Br ZINC000177634275 530707486 /nfs/dbraw/zinc/70/74/86/530707486.db2.gz QMLRAKPUPPPEDU-NSHDSACASA-N 0 0 378.230 1.419 10 0 GDAERN Cc1cnn(CCNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)c1 ZINC000179586614 530744840 /nfs/dbraw/zinc/74/48/40/530744840.db2.gz TZWCRTBIGYRQGH-UHFFFAOYSA-N 0 0 386.271 1.788 10 0 GDAERN O=S(=O)(CCCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)c1ccccc1 ZINC000178608048 530723794 /nfs/dbraw/zinc/72/37/94/530723794.db2.gz UOXOKYNYFLPNGR-QGZVFWFLSA-N 0 0 386.539 1.350 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C(C)C ZINC000179083009 530734747 /nfs/dbraw/zinc/73/47/47/530734747.db2.gz UZUQEVCADNDYNV-LLVKDONJSA-N 0 0 390.665 1.928 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)c1 ZINC000180048320 530755900 /nfs/dbraw/zinc/75/59/00/530755900.db2.gz LDODRZKAKIHNFH-UHFFFAOYSA-N 0 0 387.184 1.987 10 0 GDAERN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180219082 530760687 /nfs/dbraw/zinc/76/06/87/530760687.db2.gz GJCKTSJJBHPPFP-GZMMTYOYSA-N 0 0 375.194 1.068 10 0 GDAERN C[C@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1cccc(Br)c1 ZINC000180903575 530774197 /nfs/dbraw/zinc/77/41/97/530774197.db2.gz TWFDKNDDHBAYOK-JTQLQIEISA-N 0 0 380.246 1.962 10 0 GDAERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)[C@@H](C)C2 ZINC000180599299 530768488 /nfs/dbraw/zinc/76/84/88/530768488.db2.gz PYQHLSHLFQCLFN-SJCJKPOMSA-N 0 0 380.491 1.854 10 0 GDAERN C[C@](O)(CN1CCO[C@H](c2nccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000182264593 530797094 /nfs/dbraw/zinc/79/70/94/530797094.db2.gz XGDVMMBURHTGTB-RDJZCZTQSA-N 0 0 382.507 1.828 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000070967715 530803264 /nfs/dbraw/zinc/80/32/64/530803264.db2.gz NALLDLNXCNJYSZ-GFCCVEGCSA-N 0 0 384.274 1.533 10 0 GDAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2ccc(Cl)nc2Cl)cn1 ZINC000181695749 530789069 /nfs/dbraw/zinc/78/90/69/530789069.db2.gz GOTYMKNOWHJRGX-SNVBAGLBSA-N 0 0 376.269 1.457 10 0 GDAERN O=C(Nc1nncs1)C1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000068895997 530792002 /nfs/dbraw/zinc/79/20/02/530792002.db2.gz HMIXNQKCCMXLRB-UHFFFAOYSA-N 0 0 384.458 1.858 10 0 GDAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000184561902 530829509 /nfs/dbraw/zinc/82/95/09/530829509.db2.gz FJGMZKIGSXRYOM-SNVBAGLBSA-N 0 0 382.389 1.664 10 0 GDAERN O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@H]1CCCC[C@H]1O ZINC000103309318 530833911 /nfs/dbraw/zinc/83/39/11/530833911.db2.gz VUKKLUJWABERJS-UONOGXRCSA-N 0 0 384.274 1.782 10 0 GDAERN O=C(NCCNc1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000183022974 530808830 /nfs/dbraw/zinc/80/88/30/530808830.db2.gz BTSNQRMNZHOKDW-ZDUSSCGKSA-N 0 0 379.262 1.767 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCC(NC(=O)C3CC3)CC2)c(=O)c1Br ZINC000183112930 530809507 /nfs/dbraw/zinc/80/95/07/530809507.db2.gz CWUBVGSFRPLWMN-UHFFFAOYSA-N 0 0 382.258 1.989 10 0 GDAERN O=S(=O)(NCCc1ccsc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000101571150 530825102 /nfs/dbraw/zinc/82/51/02/530825102.db2.gz ORTOAQRNMZCGHR-UHFFFAOYSA-N 0 0 386.520 1.710 10 0 GDAERN Cc1noc(CCNC(=O)NCCNC(=O)c2ccc(Br)cc2)n1 ZINC000101618297 530825672 /nfs/dbraw/zinc/82/56/72/530825672.db2.gz GKUHIGXYVAHTJX-UHFFFAOYSA-N 0 0 396.245 1.412 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Br)cc2c1OCC2 ZINC000185992597 530849674 /nfs/dbraw/zinc/84/96/74/530849674.db2.gz NDGIWXYGVZMGAL-LLVKDONJSA-N 0 0 399.270 1.269 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000186311412 530854945 /nfs/dbraw/zinc/85/49/45/530854945.db2.gz BPXNPWVTROMIIX-UHFFFAOYSA-N 0 0 383.235 1.766 10 0 GDAERN CCN(CC)c1nc2sc(C(=O)N3CC(NC(=O)COC)C3)cc2s1 ZINC000186316543 530854988 /nfs/dbraw/zinc/85/49/88/530854988.db2.gz GLUOOCWEVNPLNH-UHFFFAOYSA-N 0 0 382.511 1.791 10 0 GDAERN O=C1CNC(=O)N1CCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000187548380 530874657 /nfs/dbraw/zinc/87/46/57/530874657.db2.gz ZJOGGSKZKDMQDP-HNNXBMFYSA-N 0 0 390.241 1.470 10 0 GDAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCCN(c2ccccn2)CC1 ZINC000186398630 530856530 /nfs/dbraw/zinc/85/65/30/530856530.db2.gz JBJHIKPGTOCOCM-UHFFFAOYSA-N 0 0 377.242 1.885 10 0 GDAERN Cn1nc(Br)c2c1ncnc2N1CCO[C@H](Cn2cccn2)C1 ZINC000108949401 530860038 /nfs/dbraw/zinc/86/00/38/530860038.db2.gz UDUYSULTALYEBO-JTQLQIEISA-N 0 0 378.234 1.228 10 0 GDAERN COC(=O)[C@@H]1C[C@H](OC)CN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187023963 530867002 /nfs/dbraw/zinc/86/70/02/530867002.db2.gz AHFFFFUZHDCGER-BPNCWPANSA-N 0 0 376.222 1.884 10 0 GDAERN CCS(=O)(=O)N1CCc2c(cccc2NCC(=O)NCC(F)(F)F)C1 ZINC000110631536 530868832 /nfs/dbraw/zinc/86/88/32/530868832.db2.gz NBVQPCGEUNCCHN-UHFFFAOYSA-N 0 0 379.404 1.485 10 0 GDAERN COC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)c1cccc(Br)c1 ZINC000187313429 530870493 /nfs/dbraw/zinc/87/04/93/530870493.db2.gz BPRHKOLQEDZPRT-STQMWFEESA-N 0 0 383.242 1.790 10 0 GDAERN CC(C)NC(=O)CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570129 530843134 /nfs/dbraw/zinc/84/31/34/530843134.db2.gz GCKGNOLNUIUICV-UHFFFAOYSA-N 0 0 395.261 1.558 10 0 GDAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000185706604 530845426 /nfs/dbraw/zinc/84/54/26/530845426.db2.gz DAZQMLUGHVTCNN-NSHDSACASA-N 0 0 378.380 1.138 10 0 GDAERN C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)c1cccc(Br)c1 ZINC000112233625 530879882 /nfs/dbraw/zinc/87/98/82/530879882.db2.gz DKXGIHSAEBKQHW-SNVBAGLBSA-N 0 0 376.214 1.531 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)C(C)C)cc1Br ZINC000187908348 530880245 /nfs/dbraw/zinc/88/02/45/530880245.db2.gz NBQNNKUVPZYPKS-UHFFFAOYSA-N 0 0 377.260 1.911 10 0 GDAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112650878 530883342 /nfs/dbraw/zinc/88/33/42/530883342.db2.gz JDTFDFMMJXFJLW-ZJUUUORDSA-N 0 0 382.251 1.834 10 0 GDAERN CN(CC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)c1ccc(Br)s1 ZINC000112653038 530883363 /nfs/dbraw/zinc/88/33/63/530883363.db2.gz KEOYXEYPXIJKGI-SECBINFHSA-N 0 0 398.286 1.305 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000188076173 530884412 /nfs/dbraw/zinc/88/44/12/530884412.db2.gz WPEFPKJYBBIDBF-SECBINFHSA-N 0 0 378.226 1.641 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C[C@@H]1C ZINC000188097547 530884640 /nfs/dbraw/zinc/88/46/40/530884640.db2.gz YUXMNPINDPWMNG-ZDUSSCGKSA-N 0 0 398.301 1.875 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000188178306 530887908 /nfs/dbraw/zinc/88/79/08/530887908.db2.gz KUQONWHJSQARDQ-LBPRGKRZSA-N 0 0 396.245 1.801 10 0 GDAERN O=C(NC1CN(C(=O)c2cnn3cc(Br)cnc23)C1)C1CCC1 ZINC000188487175 530895560 /nfs/dbraw/zinc/89/55/60/530895560.db2.gz BMYDTWVJFZSIDV-UHFFFAOYSA-N 0 0 378.230 1.233 10 0 GDAERN O=C(NC1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1)C1CCC1 ZINC000188546187 530896026 /nfs/dbraw/zinc/89/60/26/530896026.db2.gz DBMWGERYGLYTSC-UHFFFAOYSA-N 0 0 395.253 1.961 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1I ZINC000114854264 530897077 /nfs/dbraw/zinc/89/70/77/530897077.db2.gz QORRLWAUUDHXJX-GFCCVEGCSA-N 0 0 386.233 1.884 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)CC2 ZINC000114890520 530897320 /nfs/dbraw/zinc/89/73/20/530897320.db2.gz XMPOKHZTDXXLPX-SECBINFHSA-N 0 0 396.245 1.057 10 0 GDAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc(C)c1Br ZINC000190494549 530930954 /nfs/dbraw/zinc/93/09/54/530930954.db2.gz GXPOFJHMCNXQEZ-CYBMUJFWSA-N 0 0 384.274 1.451 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000117369983 530912837 /nfs/dbraw/zinc/91/28/37/530912837.db2.gz DCMLWNLOWJRQOS-GFCCVEGCSA-N 0 0 377.304 1.790 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000117522964 530913616 /nfs/dbraw/zinc/91/36/16/530913616.db2.gz CZWJBHASYVHSTJ-GFCCVEGCSA-N 0 0 384.274 1.567 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000189479160 530913965 /nfs/dbraw/zinc/91/39/65/530913965.db2.gz GZJFLSJIYDFJEL-LLVKDONJSA-N 0 0 375.803 1.472 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000189469856 530914258 /nfs/dbraw/zinc/91/42/58/530914258.db2.gz YNVCQHTUQVVTLR-AWEZNQCLSA-N 0 0 384.274 1.303 10 0 GDAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2ccc(Br)cc2)c1 ZINC000118064170 530916261 /nfs/dbraw/zinc/91/62/61/530916261.db2.gz IONIHXWLKWNJJG-UHFFFAOYSA-N 0 0 394.273 1.683 10 0 GDAERN CN1CCCN(C(=O)c2ncc(Br)cc2Br)CC1=O ZINC000190635598 530934263 /nfs/dbraw/zinc/93/42/63/530934263.db2.gz NBTDCAVQYAEOHA-UHFFFAOYSA-N 0 0 391.063 1.911 10 0 GDAERN COCCN1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000119160297 530922178 /nfs/dbraw/zinc/92/21/78/530922178.db2.gz UJPNGUQZYLCQIY-NHYWBVRUSA-N 0 0 388.281 1.767 10 0 GDAERN Cc1cn2c(CN3CCC(N4CCS(=O)(=O)CC4)CC3)c(C)nc2s1 ZINC000191940516 530957465 /nfs/dbraw/zinc/95/74/65/530957465.db2.gz LEROQUXYFZFHCQ-UHFFFAOYSA-N 0 0 382.555 1.707 10 0 GDAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(Br)nn3C)CC2)n1 ZINC000192121233 530962438 /nfs/dbraw/zinc/96/24/38/530962438.db2.gz MMSYXTZMZNUMHF-JTQLQIEISA-N 0 0 397.277 1.647 10 0 GDAERN C[C@@H]1COC[C@H](C)N1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000120973915 530948780 /nfs/dbraw/zinc/94/87/80/530948780.db2.gz ZYGHWRQDQCTQQH-TXEJJXNPSA-N 0 0 384.274 1.613 10 0 GDAERN Cc1ccc(CS(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(F)c1 ZINC000192805465 530974140 /nfs/dbraw/zinc/97/41/40/530974140.db2.gz YSFLMWLCQXXOFQ-OAHLLOKOSA-N 0 0 390.502 1.464 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3nc(C)c(C)s3)CC2)s1 ZINC000193103611 530979693 /nfs/dbraw/zinc/97/96/93/530979693.db2.gz DMBZUTSCUPNOGZ-UHFFFAOYSA-N 0 0 379.511 1.808 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)ccc1Br ZINC000122412936 530971569 /nfs/dbraw/zinc/97/15/69/530971569.db2.gz UMNSNUSYAFVRAJ-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000122397365 530971591 /nfs/dbraw/zinc/97/15/91/530971591.db2.gz VCYNBCHVTDXXLI-VHSXEESVSA-N 0 0 383.333 1.586 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(Br)cc1 ZINC000123672284 530986338 /nfs/dbraw/zinc/98/63/38/530986338.db2.gz JETRQOQYIJPBEV-ZDUSSCGKSA-N 0 0 375.288 1.591 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cn1)CC2 ZINC000193473074 530987435 /nfs/dbraw/zinc/98/74/35/530987435.db2.gz NOBMLJKSQWILPC-JTQLQIEISA-N 0 0 393.245 1.068 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000193576500 530989841 /nfs/dbraw/zinc/98/98/41/530989841.db2.gz WNTJJYZNVBOYOV-ZBEGNZNMSA-N 0 0 382.258 1.936 10 0 GDAERN O=C(NC1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1)C1CCC1 ZINC000194618488 531008094 /nfs/dbraw/zinc/00/80/94/531008094.db2.gz NAVABIGRDJMQAL-OAHLLOKOSA-N 0 0 379.254 1.880 10 0 GDAERN O=C([C@H]1CNC(=O)C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000194769424 531009875 /nfs/dbraw/zinc/00/98/75/531009875.db2.gz OVBDRMIOIXTMIW-SECBINFHSA-N 0 0 376.766 1.539 10 0 GDAERN CS(=O)(=O)c1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1Br ZINC000195028065 531014371 /nfs/dbraw/zinc/01/43/71/531014371.db2.gz AXTWOEVJRAASRJ-LBPRGKRZSA-N 0 0 387.299 1.773 10 0 GDAERN COc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1Br ZINC000195077106 531014839 /nfs/dbraw/zinc/01/48/39/531014839.db2.gz ZAJZXNLDVXNQAD-GAJTVXKRSA-N 0 0 385.258 1.617 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000246018999 531062472 /nfs/dbraw/zinc/06/24/72/531062472.db2.gz MVMYVUNOAFCQLK-VHSXEESVSA-N 0 0 383.301 1.744 10 0 GDAERN O=C1NC[C@H]2CN([C@H]3CCCc4ccc(Br)cc43)CCN2C1=O ZINC000246132397 531063864 /nfs/dbraw/zinc/06/38/64/531063864.db2.gz KWELBBSXBZBKDI-ZFWWWQNUSA-N 0 0 378.270 1.469 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000246191825 531064301 /nfs/dbraw/zinc/06/43/01/531064301.db2.gz IBXSIRBYYXRECX-WFASDCNBSA-N 0 0 378.491 1.478 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@H]1N1CCOCC1 ZINC000246202457 531064613 /nfs/dbraw/zinc/06/46/13/531064613.db2.gz LXUUSLYMYMFAGT-DGCLKSJQSA-N 0 0 384.889 1.558 10 0 GDAERN C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000237397476 531045909 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C[C@H](O)CN1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H]1C ZINC000248736225 531082021 /nfs/dbraw/zinc/08/20/21/531082021.db2.gz KWEUGZABNLLJNG-BFQNTYOBSA-N 0 0 383.286 1.666 10 0 GDAERN O=C([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000248886577 531082545 /nfs/dbraw/zinc/08/25/45/531082545.db2.gz QTRAUXYJSALNFI-JTQLQIEISA-N 0 0 389.271 1.616 10 0 GDAERN C[C@H](c1cccs1)N(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000248862311 531082849 /nfs/dbraw/zinc/08/28/49/531082849.db2.gz PVLNPTAVMDGBOS-CABCVRRESA-N 0 0 385.555 1.072 10 0 GDAERN Cc1cc(Br)cc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000249074402 531084016 /nfs/dbraw/zinc/08/40/16/531084016.db2.gz MZKDPMZFOYMKFP-STQMWFEESA-N 0 0 391.331 1.833 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)N3C[C@H](CO)[C@@H](c4ccsc4)C3)cc2[nH]1 ZINC000249476318 531087215 /nfs/dbraw/zinc/08/72/15/531087215.db2.gz UJAXUWZPLPETCT-DGCLKSJQSA-N 0 0 379.463 1.314 10 0 GDAERN CN(C[C@@H](O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000249684034 531088917 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C[C@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)N1CCOCC1 ZINC000136811806 531115990 /nfs/dbraw/zinc/11/59/90/531115990.db2.gz AEJJDMBJYGZMQF-DOMZBBRYSA-N 0 0 386.290 1.502 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)CC2 ZINC000151997380 531144871 /nfs/dbraw/zinc/14/48/71/531144871.db2.gz LIOVXTQISJUYHG-JTQLQIEISA-N 0 0 382.873 1.642 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000153168711 531163885 /nfs/dbraw/zinc/16/38/85/531163885.db2.gz NNUHLDLAKMGAGM-CYBMUJFWSA-N 0 0 396.245 1.375 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000153880126 531172975 /nfs/dbraw/zinc/17/29/75/531172975.db2.gz DVFHKLSCIHBEPS-CYBMUJFWSA-N 0 0 396.285 1.629 10 0 GDAERN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1Br ZINC000153794896 531171952 /nfs/dbraw/zinc/17/19/52/531171952.db2.gz DJIMPQDCFFQXCF-GFCCVEGCSA-N 0 0 397.250 1.960 10 0 GDAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000154065762 531176875 /nfs/dbraw/zinc/17/68/75/531176875.db2.gz 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531204439 /nfs/dbraw/zinc/20/44/39/531204439.db2.gz GASXZWPUNGXBPC-WBVHZDCISA-N 0 0 388.917 1.868 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)Nc3cc(Br)c(=O)n(C)c3)C2)cn1 ZINC000156273938 531204701 /nfs/dbraw/zinc/20/47/01/531204701.db2.gz ICXZZCDFPGCSFI-SNVBAGLBSA-N 0 0 380.246 1.903 10 0 GDAERN NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000407956962 531208527 /nfs/dbraw/zinc/20/85/27/531208527.db2.gz KHEAAQCXMVODMG-XPKDYRNWSA-N 0 0 399.310 1.542 10 0 GDAERN O=C(c1cncc(Br)c1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408050658 531214294 /nfs/dbraw/zinc/21/42/94/531214294.db2.gz FFZJLZZPNQRATR-OLZOCXBDSA-N 0 0 386.221 1.256 10 0 GDAERN CC(C)(O)[C@H]1CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000408036060 531213055 /nfs/dbraw/zinc/21/30/55/531213055.db2.gz PXFPBEDRTCVRGU-CYBMUJFWSA-N 0 0 388.511 1.145 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cs1 ZINC000408039720 531213671 /nfs/dbraw/zinc/21/36/71/531213671.db2.gz XSBNIWFJMAIDFW-GWCFXTLKSA-N 0 0 383.495 1.011 10 0 GDAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000408204320 531225194 /nfs/dbraw/zinc/22/51/94/531225194.db2.gz GXISLWRJCBHJAO-KBPBESRZSA-N 0 0 390.527 1.045 10 0 GDAERN O=S1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000408212204 531225318 /nfs/dbraw/zinc/22/53/18/531225318.db2.gz VCAJBDIADZGFRY-UHFFFAOYSA-N 0 0 388.255 1.917 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000408217871 531225834 /nfs/dbraw/zinc/22/58/34/531225834.db2.gz GFFAKLPYZCDORO-CHWSQXEVSA-N 0 0 387.299 1.965 10 0 GDAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000408242814 531228634 /nfs/dbraw/zinc/22/86/34/531228634.db2.gz YLIDIGGETCXJSD-SJORKVTESA-N 0 0 386.539 1.704 10 0 GDAERN Cn1cnc2c(c1=O)CCN(C(=O)c1[nH]nc(C3CC3)c1Br)C2 ZINC000408324809 531232494 /nfs/dbraw/zinc/23/24/94/531232494.db2.gz RKFLHLQTTXQZAN-UHFFFAOYSA-N 0 0 378.230 1.342 10 0 GDAERN Cc1cc(Br)cc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)c1 ZINC000408324860 531233032 /nfs/dbraw/zinc/23/30/32/531233032.db2.gz SESQEMUXHMIKLY-UHFFFAOYSA-N 0 0 398.282 1.598 10 0 GDAERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)o1 ZINC000408335587 531233418 /nfs/dbraw/zinc/23/34/18/531233418.db2.gz IIGXVCMWPRCZNX-HNNXBMFYSA-N 0 0 390.527 1.726 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(F)ccc3F)CC2)[C@H](C)CO1 ZINC000408369939 531236293 /nfs/dbraw/zinc/23/62/93/531236293.db2.gz DXRRVOAYULXKRC-CHWSQXEVSA-N 0 0 375.441 1.441 10 0 GDAERN CNS(=O)(=O)NC1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000408405216 531238635 /nfs/dbraw/zinc/23/86/35/531238635.db2.gz CBECALOCCBKXSW-UHFFFAOYSA-N 0 0 386.440 1.335 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000408436629 531241523 /nfs/dbraw/zinc/24/15/23/531241523.db2.gz FRZPTADVWUWANW-AWEZNQCLSA-N 0 0 375.535 1.834 10 0 GDAERN O=C(Nc1cc(F)c(I)c(F)c1)N1CCO[C@H](CO)C1 ZINC000267457440 531427386 /nfs/dbraw/zinc/42/73/86/531427386.db2.gz PDLSYHZQDWOMOZ-QMMMGPOBSA-N 0 0 398.147 1.794 10 0 GDAERN C[C@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000270631907 531903892 /nfs/dbraw/zinc/90/38/92/531903892.db2.gz HUKPHCCFOJPOPC-TZMCWYRMSA-N 0 0 387.889 1.533 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000373694261 532093721 /nfs/dbraw/zinc/09/37/21/532093721.db2.gz FJMPPKPYYVTKFQ-RISCZKNCSA-N 0 0 381.885 1.592 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000376034244 532193739 /nfs/dbraw/zinc/19/37/39/532193739.db2.gz YDZKEEKSUIFGPB-TZMCWYRMSA-N 0 0 395.301 1.948 10 0 GDAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CC[S@@](=O)C(C)(C)CC1)C(=O)C2 ZINC000428191472 532200433 /nfs/dbraw/zinc/20/04/33/532200433.db2.gz GDGZLQXNLRSWNS-SJZFEPBNSA-N 0 0 375.556 1.945 10 0 GDAERN C[C@@H](C[C@@H]1CCCO1)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000332730965 532207918 /nfs/dbraw/zinc/20/79/18/532207918.db2.gz UTHQLCPFOKGKHQ-STQMWFEESA-N 0 0 388.511 1.456 10 0 GDAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000333205761 532225404 /nfs/dbraw/zinc/22/54/04/532225404.db2.gz BSPIBNQLOCZPFR-DVOMOZLQSA-N 0 0 396.285 1.126 10 0 GDAERN CN(C)c1cc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)ncc1Br ZINC000333661051 532244260 /nfs/dbraw/zinc/24/42/60/532244260.db2.gz MFTCCPQGFAEVFJ-HNNXBMFYSA-N 0 0 382.262 1.654 10 0 GDAERN CC[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H](C)[S@]1=O ZINC000333897791 532254808 /nfs/dbraw/zinc/25/48/08/532254808.db2.gz BBRVFNUXAXHHSK-FGVQXUMUSA-N 0 0 385.287 1.863 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@@H]3OCCN[C@@H]3C2)sc1Br ZINC000404110844 532306085 /nfs/dbraw/zinc/30/60/85/532306085.db2.gz JPRSWWOZBYXPOV-ZJUUUORDSA-N 0 0 381.317 1.570 10 0 GDAERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccc(COC)cc2)cn1 ZINC000328622807 206235948 /nfs/dbraw/zinc/23/59/48/206235948.db2.gz IQWGDHAQCFNIEQ-QGZVFWFLSA-N 0 0 377.466 1.661 10 0 GDAERN Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1I ZINC000000538392 206291168 /nfs/dbraw/zinc/29/11/68/206291168.db2.gz FCLGWHGVNGNUQT-UHFFFAOYSA-N 0 0 379.179 1.971 10 0 GDAERN CC(C)[C@H]([NH3+])C(=O)NC(C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])=C1CCCC1 ZINC000090569230 206298532 /nfs/dbraw/zinc/29/85/32/206298532.db2.gz NJTDYTLAOFNUNR-IRXDYDNUSA-N 0 0 387.480 1.726 10 0 GDAERN O=C(NCCN1CCCC1=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000011839619 206836598 /nfs/dbraw/zinc/83/65/98/206836598.db2.gz SVJSHEKFSMHDLE-INIZCTEOSA-N 0 0 391.899 1.860 10 0 GDAERN COC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)CC1 ZINC000012202002 206870170 /nfs/dbraw/zinc/87/01/70/206870170.db2.gz ALRFNMWUIZZSHI-UHFFFAOYSA-N 0 0 394.449 1.304 10 0 GDAERN Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(C)cc3)S2(=O)=O)cc1 ZINC000015725733 207056740 /nfs/dbraw/zinc/05/67/40/207056740.db2.gz VAGSFHLUSOLZRM-UHFFFAOYSA-N 0 0 387.505 1.982 10 0 GDAERN CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)n3nnc4ccccc43)CC2)CC1=O ZINC000020354582 207187619 /nfs/dbraw/zinc/18/76/19/207187619.db2.gz NELFFFKJRKQABN-OAHLLOKOSA-N 0 0 397.479 1.957 10 0 GDAERN COC(=O)C1=C(C)NC(=O)[C@@]12c1cc(Br)ccc1-c1oc(N)nc12 ZINC000020568966 207204740 /nfs/dbraw/zinc/20/47/40/207204740.db2.gz SNWGXCCKUKVFDB-INIZCTEOSA-N 0 0 390.193 1.863 10 0 GDAERN O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCOCC1 ZINC000020724385 207211716 /nfs/dbraw/zinc/21/17/16/207211716.db2.gz SCRMOHFNOWHOCE-UHFFFAOYSA-N 0 0 390.871 1.402 10 0 GDAERN Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000021540930 207232388 /nfs/dbraw/zinc/23/23/88/207232388.db2.gz SFOTZKDSVQEGEF-UHFFFAOYSA-N 0 0 383.496 1.664 10 0 GDAERN COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CN2CCOCC2)cc1=O ZINC000023802433 207283333 /nfs/dbraw/zinc/28/33/33/207283333.db2.gz ISQAEJMFLRJARZ-UHFFFAOYSA-N 0 0 391.855 1.981 10 0 GDAERN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2c(c(CO)nn2C)C1 ZINC000072422668 208022979 /nfs/dbraw/zinc/02/29/79/208022979.db2.gz IOBXIPITARQLJS-UHFFFAOYSA-N 0 0 379.464 1.842 10 0 GDAERN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)c1ccccn1)CCC2 ZINC000096056065 208258273 /nfs/dbraw/zinc/25/82/73/208258273.db2.gz WFTUEHMHINUBEQ-KKSFZXQISA-N 0 0 395.463 1.794 10 0 GDAERN Cc1nnc(N2C[C@@H]3CN(C(=O)CC(C)C)CCC[C@]3(C(=O)N(C)C)C2)o1 ZINC000096083053 208261239 /nfs/dbraw/zinc/26/12/39/208261239.db2.gz VGBBNYMAQSODBB-KXBFYZLASA-N 0 0 377.489 1.557 10 0 GDAERN COC(=O)CCC(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 ZINC000096087998 208261271 /nfs/dbraw/zinc/26/12/71/208261271.db2.gz LXXIJZFXEKFXCC-UHFFFAOYSA-N 0 0 379.482 1.650 10 0 GDAERN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397765 208315053 /nfs/dbraw/zinc/31/50/53/208315053.db2.gz PTHVHRVQUZCPDY-MRVPVSSYSA-N 0 0 383.387 1.964 10 0 GDAERN C[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206248 221334198 /nfs/dbraw/zinc/33/41/98/221334198.db2.gz ZMYJTGDNFZJYFN-MIYZQCFGSA-N 0 0 392.633 1.790 10 0 GDAERN Cc1cc2nc(N3CCOCC3)n(CC(=O)Nc3ccccc3C)c(=O)c2n1C ZINC000065311138 136163067 /nfs/dbraw/zinc/16/30/67/136163067.db2.gz VGNZSAGMKLXFCL-UHFFFAOYSA-N 0 0 395.463 1.827 10 0 GDAERN Cc1noc(C)c1NC(=O)N[C@@H]1C[C@H](COc2cccc(C)n2)[C@@H](O)[C@H]1O ZINC000225504730 560042375 /nfs/dbraw/zinc/04/23/75/560042375.db2.gz VKVWMHMELYCSHF-KFZJALRRSA-N 0 0 376.413 1.306 10 0 biogenic GDAERN O=C(NCCN1CCOCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000033433890 570526727 /nfs/dbraw/zinc/52/67/27/570526727.db2.gz UEYOVOQGRKBLCW-SDXDJHTJSA-N 0 0 385.489 1.967 10 0 GDAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cscn1 ZINC000050684882 644404010 /nfs/dbraw/zinc/40/40/10/644404010.db2.gz YWSSLHRYTBBBTN-AWEZNQCLSA-N 0 0 378.479 1.523 10 0 GDAERN O=C(c1ccc(Br)cc1)N1CCN(CN2CCOC2=S)CC1 ZINC000101538536 644596849 /nfs/dbraw/zinc/59/68/49/644596849.db2.gz OHINIBIYVXHXQQ-UHFFFAOYSA-N 0 0 384.299 1.782 10 0 GDAERN Cn1nc(Br)c2c1ncn(C[C@@H](O)c1cc(F)ccc1F)c2=O ZINC000102779830 644600167 /nfs/dbraw/zinc/60/01/67/644600167.db2.gz PFOZVQPGJDKQKY-SNVBAGLBSA-N 0 0 385.168 1.904 10 0 GDAERN CCCC(=O)N[C@@H]1CCCN(Cn2cc(I)cn2)C1 ZINC000151461013 644781068 /nfs/dbraw/zinc/78/10/68/644781068.db2.gz XEXNVKCUZFBFKN-GFCCVEGCSA-N 0 0 376.242 1.826 10 0 GDAERN CC(C)n1nnnc1CN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000156347681 644819486 /nfs/dbraw/zinc/81/94/86/644819486.db2.gz LONOFLVSDRTLEO-UHFFFAOYSA-N 0 0 386.231 1.361 10 0 GDAERN Cc1ncsc1CCS(=O)(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000568871122 650974806 /nfs/dbraw/zinc/97/48/06/650974806.db2.gz UPBXANOIKCCQME-UHFFFAOYSA-N 0 0 381.527 1.461 10 0 GDAERN Cn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2oc(Br)cc21 ZINC000223695439 645074174 /nfs/dbraw/zinc/07/41/74/645074174.db2.gz JDPHJHWOPYZFJJ-UHFFFAOYSA-N 0 0 390.259 1.251 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCS[C@@H](C)C2)CCCC1 ZINC000329871704 645334157 /nfs/dbraw/zinc/33/41/57/645334157.db2.gz CQWTXBSUMRJXNV-NSHDSACASA-N 0 0 387.527 1.846 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000372389137 645810680 /nfs/dbraw/zinc/81/06/80/645810680.db2.gz IKWZLNWLCVHVBF-BXKDBHETSA-N 0 0 375.809 1.976 10 0 GDAERN CN1C[C@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1=O ZINC000683196363 654770654 /nfs/dbraw/zinc/77/06/54/654770654.db2.gz ODWKJHHVOYAVRI-QMMMGPOBSA-N 0 0 381.679 1.859 10 0 GDAERN Cc1ncsc1CN1C[C@H](C(=O)N2CCS(=O)CC2)[C@@H](C(F)(F)F)C1 ZINC000888103175 657863597 /nfs/dbraw/zinc/86/35/97/657863597.db2.gz MPULAWJVVFWXHZ-RYUDHWBXSA-N 0 0 395.472 1.653 10 0 GDAERN CN(C)C(=O)COC[C@@H]1CN(Cc2nc(Br)c[nH]2)CC(C)(C)O1 ZINC000894312233 658537130 /nfs/dbraw/zinc/53/71/30/658537130.db2.gz HATPDIFJIVYCQH-NSHDSACASA-N 0 0 389.294 1.256 10 0 GDAERN Cn1cc([C@@H]2CCCN2C(=O)CSc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000900567152 659122015 /nfs/dbraw/zinc/12/20/15/659122015.db2.gz ZBUPWQZFUCFGEE-HNNXBMFYSA-N 0 0 380.495 1.523 10 0 GDAERN O=C(Cc1cccc(I)c1)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909171973 659941560 /nfs/dbraw/zinc/94/15/60/659941560.db2.gz FUWKSYZFHNRGNX-VNHYZAJKSA-N 0 0 397.216 1.521 10 0 GDAERN O=C(c1nscc1I)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000910469981 659972343 /nfs/dbraw/zinc/97/23/43/659972343.db2.gz PHFPGEXTZNUUNX-XHNCKOQMSA-N 0 0 378.235 1.981 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC000718062025 977938640 /nfs/dbraw/zinc/93/86/40/977938640.db2.gz GXUAUOBAYGXPCY-KRWDZBQOSA-N 0 0 392.481 1.157 10 0 GDAERN O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000723287665 978199451 /nfs/dbraw/zinc/19/94/51/978199451.db2.gz XGCAXTOTMOZFLF-ZACQAIPSSA-N 0 0 382.482 1.060 10 0 GDAERN Cn1nccc1C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000159317985 530542578 /nfs/dbraw/zinc/54/25/78/530542578.db2.gz AKLOEOMRYPNGOA-UHFFFAOYSA-N 0 0 383.495 1.392 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H](C)O1 ZINC000007308109 530545380 /nfs/dbraw/zinc/54/53/80/530545380.db2.gz VAXDJGKQLVLLMX-KBPBESRZSA-N 0 0 388.511 1.269 10 0 GDAERN Cn1ncc(Cl)c1C(=O)NC(=S)N1CCN(Cc2ccccc2)CC1 ZINC000020076762 530569177 /nfs/dbraw/zinc/56/91/77/530569177.db2.gz KYFNNNCMKZJQCV-UHFFFAOYSA-N 0 0 377.901 1.906 10 0 GDAERN Cn1cc(Br)cc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000162665724 530570277 /nfs/dbraw/zinc/57/02/77/530570277.db2.gz OGAVZLBIYPGSEK-LBPRGKRZSA-N 0 0 390.303 1.428 10 0 GDAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000025376255 530581276 /nfs/dbraw/zinc/58/12/76/530581276.db2.gz KCYGLIJEGHQTTQ-NXEZZACHSA-N 0 0 386.417 1.733 10 0 GDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000170822374 530589792 /nfs/dbraw/zinc/58/97/92/530589792.db2.gz RNURCSPGYDXUAN-JQWIXIFHSA-N 0 0 382.258 1.749 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccnc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000030675227 530600178 /nfs/dbraw/zinc/60/01/78/530600178.db2.gz WAQPTPNRHVBNEM-NEPJUHHUSA-N 0 0 379.404 1.987 10 0 GDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)N1CCOCC1 ZINC000041600896 530622654 /nfs/dbraw/zinc/62/26/54/530622654.db2.gz MQISSTNEJPMHDM-JTQLQIEISA-N 0 0 388.237 1.364 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)CC2)s1 ZINC000173286905 530628140 /nfs/dbraw/zinc/62/81/40/530628140.db2.gz XDZUJWJMIOSADU-UHFFFAOYSA-N 0 0 388.559 1.492 10 0 GDAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)CC2 ZINC000173390274 530629106 /nfs/dbraw/zinc/62/91/06/530629106.db2.gz QGWNKOPWMSSYRY-SNVBAGLBSA-N 0 0 380.246 1.597 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000173877934 530639308 /nfs/dbraw/zinc/63/93/08/530639308.db2.gz TVPOBXVCUWQXEO-RISCZKNCSA-N 0 0 397.269 1.971 10 0 GDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccccc3Cl)C2=O)n(C)n1 ZINC000174042237 530642612 /nfs/dbraw/zinc/64/26/12/530642612.db2.gz KTYKCUMITFZGDM-ZDUSSCGKSA-N 0 0 382.873 1.856 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000175250653 530661648 /nfs/dbraw/zinc/66/16/48/530661648.db2.gz MNFVSXNRSTVXEV-LLVKDONJSA-N 0 0 379.276 1.067 10 0 GDAERN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000175397343 530664711 /nfs/dbraw/zinc/66/47/11/530664711.db2.gz OIPPBVMSIOYEHG-GFCCVEGCSA-N 0 0 378.491 1.334 10 0 GDAERN C[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)Oc1ccccc1Br ZINC000175734906 530669616 /nfs/dbraw/zinc/66/96/16/530669616.db2.gz WLPXPYPTILOBBU-STQMWFEESA-N 0 0 386.290 1.846 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176096410 530676946 /nfs/dbraw/zinc/67/69/46/530676946.db2.gz QPGZGLCLLBGPOM-NSHDSACASA-N 0 0 378.230 1.939 10 0 GDAERN COc1nc(N2CCC(c3ccnn3CCO)CC2)ncc1Br ZINC000176240614 530679604 /nfs/dbraw/zinc/67/96/04/530679604.db2.gz FABGJWHPLJGTFB-UHFFFAOYSA-N 0 0 382.262 1.821 10 0 GDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3sc(C)nc3C)C2=O)n(C)n1 ZINC000176957444 530694393 /nfs/dbraw/zinc/69/43/93/530694393.db2.gz WIILEDOMADHVBS-LBPRGKRZSA-N 0 0 383.499 1.276 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000177134122 530697894 /nfs/dbraw/zinc/69/78/94/530697894.db2.gz QAMNHEISCXSPDD-SECBINFHSA-N 0 0 387.205 1.938 10 0 GDAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3ncnc32)ccc1Cl ZINC000177586045 530705970 /nfs/dbraw/zinc/70/59/70/530705970.db2.gz FKLGWKFEVHVREP-GFCCVEGCSA-N 0 0 383.861 1.447 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CCN1C[C@@H](C)O ZINC000177616999 530706833 /nfs/dbraw/zinc/70/68/33/530706833.db2.gz 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ZINC000179662276 530747367 /nfs/dbraw/zinc/74/73/67/530747367.db2.gz DVQVURUEZGWZAU-HUUCEWRRSA-N 0 0 377.268 1.226 10 0 GDAERN O=C(CCc1cc(F)ccc1Br)NC[C@@H](O)CN1CCOCC1 ZINC000182094080 530794230 /nfs/dbraw/zinc/79/42/30/530794230.db2.gz MQPGQQMOJBCPSL-CQSZACIVSA-N 0 0 389.265 1.330 10 0 GDAERN CN(C[C@H]1CCCO1)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000102904531 530830956 /nfs/dbraw/zinc/83/09/56/530830956.db2.gz XUVXWGOMEISUNN-CQSZACIVSA-N 0 0 384.274 1.999 10 0 GDAERN CN1CCO[C@@H](CNC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000183324052 530813567 /nfs/dbraw/zinc/81/35/67/530813567.db2.gz IGPDMRIOCANNEM-NSHDSACASA-N 0 0 386.265 1.987 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccccc2Br)n1 ZINC000183748021 530819738 /nfs/dbraw/zinc/81/97/38/530819738.db2.gz MRJHOHWRMWXTJK-NSHDSACASA-N 0 0 388.243 1.903 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000185124507 530836857 /nfs/dbraw/zinc/83/68/57/530836857.db2.gz DWKFSEYXZIIJJF-JTQLQIEISA-N 0 0 378.380 1.413 10 0 GDAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000106189361 530846700 /nfs/dbraw/zinc/84/67/00/530846700.db2.gz RUKGCGNETWVMMW-CABCVRRESA-N 0 0 379.258 1.573 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000106758978 530849624 /nfs/dbraw/zinc/84/96/24/530849624.db2.gz WCGQSSHJCWMYIO-CQSZACIVSA-N 0 0 379.258 1.695 10 0 GDAERN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H](C)NC(N)=O ZINC000186297017 530854846 /nfs/dbraw/zinc/85/48/46/530854846.db2.gz FAMLPQONWBAHBI-RISCZKNCSA-N 0 0 386.290 1.960 10 0 GDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000186398225 530856722 /nfs/dbraw/zinc/85/67/22/530856722.db2.gz JIFVKLMLGUSOFG-WXHSDQCUSA-N 0 0 377.413 1.643 10 0 GDAERN C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccccc1Br ZINC000186748240 530861862 /nfs/dbraw/zinc/86/18/62/530861862.db2.gz RAUWOJAYZTVUCR-SECBINFHSA-N 0 0 384.255 1.983 10 0 GDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1ccccc1Br ZINC000109929451 530865908 /nfs/dbraw/zinc/86/59/08/530865908.db2.gz 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/nfs/dbraw/zinc/93/52/00/530935200.db2.gz IDJDGWGPXRBVCO-VIFPVBQESA-N 0 0 380.251 1.722 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190978993 530941358 /nfs/dbraw/zinc/94/13/58/530941358.db2.gz QNHKAGCARQPDFG-SECBINFHSA-N 0 0 377.260 1.357 10 0 GDAERN COCCN1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C[C@H]1C ZINC000120698346 530945163 /nfs/dbraw/zinc/94/51/63/530945163.db2.gz OCMTUBHQHUVKFL-CYBMUJFWSA-N 0 0 391.331 1.931 10 0 GDAERN O=C(Nc1cccc(F)c1I)C(=O)N1CCC[C@H]1CO ZINC000120917333 530947081 /nfs/dbraw/zinc/94/70/81/530947081.db2.gz WMCCMCRYQASJSF-QMMMGPOBSA-N 0 0 392.168 1.352 10 0 GDAERN O=C(Nc1cnn(-c2ccccc2Br)c1)C(=O)N1CCC[C@H]1CO ZINC000120917171 530947342 /nfs/dbraw/zinc/94/73/42/530947342.db2.gz JIMIQRZGJQVNRH-LBPRGKRZSA-N 0 0 393.241 1.557 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000191343800 530947497 /nfs/dbraw/zinc/94/74/97/530947497.db2.gz QBJDKULQOVRXNS-UHFFFAOYSA-N 0 0 376.157 1.013 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000191482630 530949510 /nfs/dbraw/zinc/94/95/10/530949510.db2.gz YAURGQOCIJEDPM-LLVKDONJSA-N 0 0 380.242 1.149 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000121283774 530953349 /nfs/dbraw/zinc/95/33/49/530953349.db2.gz LVFDAXURQUPCTI-CYBMUJFWSA-N 0 0 382.258 1.823 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1c(F)cccc1I ZINC000121304043 530954144 /nfs/dbraw/zinc/95/41/44/530954144.db2.gz OWDJMEHLEJBTAP-MRVPVSSYSA-N 0 0 386.168 1.767 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000121468762 530957036 /nfs/dbraw/zinc/95/70/36/530957036.db2.gz HMZXNJQWECYIIN-NSHDSACASA-N 0 0 386.221 1.654 10 0 GDAERN CC[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1C[C@@H](C)O ZINC000122701138 530975230 /nfs/dbraw/zinc/97/52/30/530975230.db2.gz CQKDGVGHQDFLBK-MNOVXSKESA-N 0 0 382.313 1.854 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@H]1CCCO1 ZINC000192957294 530977095 /nfs/dbraw/zinc/97/70/95/530977095.db2.gz WUDAONXQFAVNLM-WCBMZHEXSA-N 0 0 389.193 1.308 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123131976 530979333 /nfs/dbraw/zinc/97/93/33/530979333.db2.gz DHODZCBGGPQCSC-BDJLRTHQSA-N 0 0 382.258 1.936 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000193148625 530980249 /nfs/dbraw/zinc/98/02/49/530980249.db2.gz UEIJGBDZWXCIRO-NUEKZKHPSA-N 0 0 396.285 1.126 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000122434386 530971277 /nfs/dbraw/zinc/97/12/77/530971277.db2.gz ILZIHVJUTOEFQN-UHFFFAOYSA-N 0 0 383.495 1.690 10 0 GDAERN Cc1ccc(N2CCC(NC(=O)c3csc(S(N)(=O)=O)c3)CC2)nc1 ZINC000124266091 530993795 /nfs/dbraw/zinc/99/37/95/530993795.db2.gz SMKMGTXLMNPORI-UHFFFAOYSA-N 0 0 380.495 1.498 10 0 GDAERN Cc1csc([C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CCO2)n1 ZINC000193952828 530996261 /nfs/dbraw/zinc/99/62/61/530996261.db2.gz RACASRPDYPKOLL-CYBMUJFWSA-N 0 0 380.451 1.383 10 0 GDAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000193520544 530988416 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1.902 10 0 GDAERN Cc1cccc(CCNC(=O)C[C@@H]2C(=O)NCCN2C2Cc3ccccc3C2)n1 ZINC000019866247 207168541 /nfs/dbraw/zinc/16/85/41/207168541.db2.gz UOLJGKAIIIRJAB-OAQYLSRUSA-N 0 0 392.503 1.407 10 0 GDAERN Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000020487667 207197607 /nfs/dbraw/zinc/19/76/07/207197607.db2.gz PDXHAWUUYAZVMC-UHFFFAOYSA-N 0 0 391.291 1.107 10 0 GDAERN CCOC(=O)CN1C(=O)[C@H](NC(=O)c2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC000032628977 207398484 /nfs/dbraw/zinc/39/84/84/207398484.db2.gz NAWDCYIJQJNDJS-MLGOLLRUSA-N 0 0 388.342 1.221 10 0 GDAERN CC(C)OCCCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1 ZINC000046141005 207672722 /nfs/dbraw/zinc/67/27/22/207672722.db2.gz BQXQLAVHDCKTAM-UHFFFAOYSA-N 0 0 397.541 1.179 10 0 GDAERN C[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000004534171 207921017 /nfs/dbraw/zinc/92/10/17/207921017.db2.gz ZMYJTGDNFZJYFN-IDLLKNFLSA-N 0 0 392.633 1.790 10 0 GDAERN CC(C)(C)OC(=O)[C@H]1C[NH2+]CC[C@]12C(=O)N(CC(=O)[O-])CN2c1ccccc1 ZINC000095944446 208240636 /nfs/dbraw/zinc/24/06/36/208240636.db2.gz XSQWJDLNKZFXIM-FOIQADDNSA-N 0 0 389.452 1.067 10 0 GDAERN Cc1nc(-c2cccnc2)ncc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000097179382 208342151 /nfs/dbraw/zinc/34/21/51/208342151.db2.gz MQQPDDABGKEXNJ-KRWDZBQOSA-N 0 0 377.404 1.379 10 0 GDAERN Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCc3nc4ccccc4n3C)nnn12 ZINC000097939549 208363939 /nfs/dbraw/zinc/36/39/39/208363939.db2.gz ASILGIITCXTCRK-UHFFFAOYSA-N 0 0 387.403 1.696 10 0 GDAERN O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009211493 208792048 /nfs/dbraw/zinc/79/20/48/208792048.db2.gz HLPZHFLAJGSUJZ-UHFFFAOYSA-N 0 0 385.445 1.705 10 0 GDAERN C/C=C/C=C/C(=O)OCC(=O)N1CCN(C(=O)COC(=O)/C=C\C=C/C)CC1 ZINC000097655674 209016401 /nfs/dbraw/zinc/01/64/01/209016401.db2.gz AARNLYSOBRYLAI-REFCIRJVSA-N 0 0 390.436 1.008 10 0 GDAERN CCCCNC(=O)Cn1nc2c(N3CCc4ccccc4C3)nccn2c1=O ZINC000065151696 136159741 /nfs/dbraw/zinc/15/97/41/136159741.db2.gz RMWAOWCMFPYMKJ-UHFFFAOYSA-N 0 0 380.452 1.370 10 0 GDAERN COc1ccc(/C=C\C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1 ZINC000101322245 136189523 /nfs/dbraw/zinc/18/95/23/136189523.db2.gz CCLGOUKFVFNMSU-WTKPLQERSA-N 0 0 391.435 1.428 10 0 GDAERN CC1(C)OC(=O)C(C(c2ccccc2)C2C(=O)OC(C)(C)OC2=O)C(=O)O1 ZINC000003165853 570331048 /nfs/dbraw/zinc/33/10/48/570331048.db2.gz GBRZPNWEKQESRB-UHFFFAOYSA-N 0 0 376.361 1.675 10 0 GDAERN Cc1nc2c(c(C)c1CCC(=O)N1C[C@H](C)C[C@H](C)C1)c(=O)n(C)c(=O)n2C ZINC000006772858 570382995 /nfs/dbraw/zinc/38/29/95/570382995.db2.gz KAHFBKQIAGHHRX-BETUJISGSA-N 0 0 386.496 1.686 10 0 GDAERN CCOC(=O)CN1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000065245575 570747134 /nfs/dbraw/zinc/74/71/34/570747134.db2.gz KUMPQDGROGEFAL-UHFFFAOYSA-N 0 0 385.464 1.476 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015755 570886604 /nfs/dbraw/zinc/88/66/04/570886604.db2.gz MZTLGKLNUHBVPZ-OAHLLOKOSA-N 0 0 396.490 1.636 10 0 GDAERN COCCN1CC[C@@H](N2CCCN(C(=O)Nc3ccc(F)cc3F)CC2)C1=O ZINC000097086993 570891063 /nfs/dbraw/zinc/89/10/63/570891063.db2.gz YKQMGBPIMQCOQB-QGZVFWFLSA-N 0 0 396.438 1.752 10 0 GDAERN Cc1csc([C@H](C)NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)n1 ZINC000067939370 644557629 /nfs/dbraw/zinc/55/76/29/644557629.db2.gz PTADSJDQRWAWIH-QWRGUYRKSA-N 0 0 378.479 1.756 10 0 GDAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1F ZINC000173836423 644894355 /nfs/dbraw/zinc/89/43/55/644894355.db2.gz YFVBEALAJOYYHA-GFCCVEGCSA-N 0 0 387.458 1.279 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1C ZINC000180309080 644944391 /nfs/dbraw/zinc/94/43/91/644944391.db2.gz SNFFXBZUBZJXSR-QMMMGPOBSA-N 0 0 388.358 1.723 10 0 GDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000190980923 645025874 /nfs/dbraw/zinc/02/58/74/645025874.db2.gz GJITVUIJJHGTKD-MRVPVSSYSA-N 0 0 392.231 1.256 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)C[C@@H](C)OC)CC1 ZINC000195262505 645068140 /nfs/dbraw/zinc/06/81/40/645068140.db2.gz HWWMMYREWWNLBA-GFCCVEGCSA-N 0 0 378.926 1.118 10 0 GDAERN NS(=O)(=O)c1ccsc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000215969193 645071883 /nfs/dbraw/zinc/07/18/83/645071883.db2.gz KKEFYWMDKJUQED-ZDUSSCGKSA-N 0 0 376.463 1.763 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)C[C@H](C(N)=O)O1 ZINC000255641286 645112028 /nfs/dbraw/zinc/11/20/28/645112028.db2.gz PSHKBHJEUGHEMD-ICJJVXPOSA-N 0 0 389.271 1.324 10 0 GDAERN C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)N1CCOC[C@H]1C ZINC000301437184 645235160 /nfs/dbraw/zinc/23/51/60/645235160.db2.gz MYGOXAJKRWOHMU-GHMZBOCLSA-N 0 0 381.420 1.874 10 0 GDAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)CCN1C(=O)CSc2ccccc21 ZINC000328891970 645286058 /nfs/dbraw/zinc/28/60/58/645286058.db2.gz TUKINBQRAFXIFY-ZDUSSCGKSA-N 0 0 379.507 1.505 10 0 GDAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)C[C@H]3C)s2)CC1 ZINC000329308899 645305524 /nfs/dbraw/zinc/30/55/24/645305524.db2.gz ZACVARKAWYMTCJ-CQSZACIVSA-N 0 0 385.555 1.945 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc(C3CC3)c1Br)CC2 ZINC000329312108 645305952 /nfs/dbraw/zinc/30/59/52/645305952.db2.gz RHTFLYKDCXSEDP-VIFPVBQESA-N 0 0 379.262 1.948 10 0 GDAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1C[C@@H](F)C[C@H]1CO ZINC000372425001 645815032 /nfs/dbraw/zinc/81/50/32/645815032.db2.gz GRZYQQQGZLTEHZ-QWRGUYRKSA-N 0 0 380.235 1.477 10 0 GDAERN Cc1[nH]nc(I)c1C(=O)NCc1cn2c(n1)CCCC2 ZINC000896099506 658750654 /nfs/dbraw/zinc/75/06/54/658750654.db2.gz IIFKIBIXALWPTG-UHFFFAOYSA-N 0 0 385.209 1.786 10 0 GDAERN O=C(NC1CN(C(=O)c2cc3ncc(Br)cn3n2)C1)C1CCC1 ZINC000907506571 659767073 /nfs/dbraw/zinc/76/70/73/659767073.db2.gz JBSMHWQGNJSZKC-UHFFFAOYSA-N 0 0 378.230 1.233 10 0 GDAERN O=C([O-])CC[N@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000692429628 976469946 /nfs/dbraw/zinc/46/99/46/976469946.db2.gz XDMFSXCKQXBNCH-MRXNPFEDSA-N 0 0 382.416 1.620 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000704193610 977223487 /nfs/dbraw/zinc/22/34/87/977223487.db2.gz OUACKXBVWWRULZ-YLJYHZDGSA-N 0 0 375.469 1.784 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000708531563 977432917 /nfs/dbraw/zinc/43/29/17/977432917.db2.gz JIJRKTPFCZNGBQ-PBHICJAKSA-N 0 0 389.477 1.826 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000708533241 977433831 /nfs/dbraw/zinc/43/38/31/977433831.db2.gz OUYHZLZTWUNBQQ-HOCLYGCPSA-N 0 0 391.493 1.770 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC000715564617 977771299 /nfs/dbraw/zinc/77/12/99/977771299.db2.gz IXXJNYLZGPYAEL-KBAYOESNSA-N 0 0 375.469 1.782 10 0 GDAERN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720856231 978069348 /nfs/dbraw/zinc/06/93/48/978069348.db2.gz OKPFQAGAEIQRIA-HXUWFJFHSA-N 0 0 377.485 1.766 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)ccc1Br ZINC000160644964 530553995 /nfs/dbraw/zinc/55/39/95/530553995.db2.gz UJIFZXGLTMDUMI-SNVBAGLBSA-N 0 0 392.047 1.538 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162272773 530567122 /nfs/dbraw/zinc/56/71/22/530567122.db2.gz IVXMBMBXDVLNNT-GXTWGEPZSA-N 0 0 394.273 1.838 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000163599529 530576156 /nfs/dbraw/zinc/57/61/56/530576156.db2.gz JPOJZCCCGHKRAR-CYBMUJFWSA-N 0 0 392.257 1.979 10 0 GDAERN Cc1nc(C[C@@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)no1 ZINC000171239633 530596638 /nfs/dbraw/zinc/59/66/38/530596638.db2.gz YEMGWTLLHTZIPE-LBPRGKRZSA-N 0 0 395.257 1.784 10 0 GDAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCN2CCCC[C@H]2C1 ZINC000171531890 530600351 /nfs/dbraw/zinc/60/03/51/530600351.db2.gz PKZWBDGHEDUKNW-HNNXBMFYSA-N 0 0 385.917 1.993 10 0 GDAERN O=S(=O)(c1ccccc1Br)N1CCN(Cc2ccon2)CC1 ZINC000172647405 530616018 /nfs/dbraw/zinc/61/60/18/530616018.db2.gz WOYISQXCDMJPGJ-UHFFFAOYSA-N 0 0 386.271 1.944 10 0 GDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(Br)cnc1Cl ZINC000172103846 530608175 /nfs/dbraw/zinc/60/81/75/530608175.db2.gz IDDSTOVZUNZQOA-QMMMGPOBSA-N 0 0 392.666 1.382 10 0 GDAERN CC(C)c1nc([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2cccs2)no1 ZINC000173078822 530622471 /nfs/dbraw/zinc/62/24/71/530622471.db2.gz LIHBRBBOWVKGFW-NSHDSACASA-N 0 0 384.483 1.897 10 0 GDAERN CC(C)(CCS(C)(=O)=O)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000173294083 530628105 /nfs/dbraw/zinc/62/81/05/530628105.db2.gz DKKOSDWVNHPPPB-UHFFFAOYSA-N 0 0 386.539 1.930 10 0 GDAERN CCc1cnc(CCNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000174147683 530644007 /nfs/dbraw/zinc/64/40/07/530644007.db2.gz HXGIMIBIHMONDJ-LLVKDONJSA-N 0 0 382.511 1.956 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Br)s3)CCO2)[nH]1 ZINC000173837624 530638325 /nfs/dbraw/zinc/63/83/25/530638325.db2.gz NYLKGHJJIGXKPS-MRVPVSSYSA-N 0 0 393.288 1.699 10 0 GDAERN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000173830216 530638399 /nfs/dbraw/zinc/63/83/99/530638399.db2.gz HVPORPOQWDBTNB-CHWSQXEVSA-N 0 0 390.502 1.477 10 0 GDAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172765664 530617886 /nfs/dbraw/zinc/61/78/86/530617886.db2.gz OLKLNHXCTKVUNV-ZDUSSCGKSA-N 0 0 386.279 1.656 10 0 GDAERN O=C(c1ncncc1Cl)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000175787370 530670801 /nfs/dbraw/zinc/67/08/01/530670801.db2.gz SSIQLCXODLBEHX-UHFFFAOYSA-N 0 0 380.857 1.667 10 0 GDAERN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCCC[C@H]1c1nccs1 ZINC000176222125 530678887 /nfs/dbraw/zinc/67/88/87/530678887.db2.gz PCZJNUFLEAUJAH-JSGCOSHPSA-N 0 0 378.479 1.927 10 0 GDAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000176565589 530685481 /nfs/dbraw/zinc/68/54/81/530685481.db2.gz UKIHPCVRWBIERZ-QHCPKHFHSA-N 0 0 375.907 1.876 10 0 GDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000052538021 530685935 /nfs/dbraw/zinc/68/59/35/530685935.db2.gz HTLFXUZGHMNINW-LSDHHAIUSA-N 0 0 386.901 1.740 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176744002 530689813 /nfs/dbraw/zinc/68/98/13/530689813.db2.gz BNNAJJBBJQFOLI-NSHDSACASA-N 0 0 387.259 1.863 10 0 GDAERN C[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1 ZINC000176915170 530693647 /nfs/dbraw/zinc/69/36/47/530693647.db2.gz SXCHZQWNCGSPDH-GFCCVEGCSA-N 0 0 376.425 1.275 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC(n2cncn2)CC1 ZINC000177419997 530703396 /nfs/dbraw/zinc/70/33/96/530703396.db2.gz IUDKTXDUPYKYEV-UHFFFAOYSA-N 0 0 396.220 1.982 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000177729558 530709890 /nfs/dbraw/zinc/70/98/90/530709890.db2.gz AUQGYNLBVQCXGN-MRVPVSSYSA-N 0 0 392.268 1.940 10 0 GDAERN C[C@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000177969141 530713539 /nfs/dbraw/zinc/71/35/39/530713539.db2.gz KZZXYEASHADYSR-FZMZJTMJSA-N 0 0 399.289 1.332 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000179250027 530737125 /nfs/dbraw/zinc/73/71/25/530737125.db2.gz CIMSTTAZOIYFIA-CYBMUJFWSA-N 0 0 397.273 1.698 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@@H]1N1CCOCC1 ZINC000179381143 530738969 /nfs/dbraw/zinc/73/89/69/530738969.db2.gz LXUUSLYMYMFAGT-AAEUAGOBSA-N 0 0 384.889 1.558 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@@H]1C ZINC000179364185 530739061 /nfs/dbraw/zinc/73/90/61/530739061.db2.gz CAAYJFDHTWTSHU-LBPRGKRZSA-N 0 0 386.905 1.948 10 0 GDAERN Cc1sc2ncnc(SCC(=O)NC[C@@H]3CN4CCN3CC4)c2c1C ZINC000178613742 530724014 /nfs/dbraw/zinc/72/40/14/530724014.db2.gz RKWLGZOARVZFIQ-CYBMUJFWSA-N 0 0 377.539 1.516 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(I)c(F)c1)C(C)C ZINC000178691222 530725468 /nfs/dbraw/zinc/72/54/68/530725468.db2.gz MSYRUDYADVPKQF-LLVKDONJSA-N 0 0 378.185 1.931 10 0 GDAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1Br ZINC000179564392 530744517 /nfs/dbraw/zinc/74/45/17/530744517.db2.gz HJYOKLBQNLGPQC-JTQLQIEISA-N 0 0 399.270 1.189 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1c(C)cc(Br)cc1C)C(C)C ZINC000179082120 530734984 /nfs/dbraw/zinc/73/49/84/530734984.db2.gz KCGKBUQOZZKCMB-GFCCVEGCSA-N 0 0 384.274 1.891 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000179842627 530751365 /nfs/dbraw/zinc/75/13/65/530751365.db2.gz BKMHGLXWZDIROW-SNVBAGLBSA-N 0 0 397.254 1.839 10 0 GDAERN C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180071789 530757427 /nfs/dbraw/zinc/75/74/27/530757427.db2.gz WMMIEWOEEWYGPB-NSHDSACASA-N 0 0 382.511 1.416 10 0 GDAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000180191602 530759970 /nfs/dbraw/zinc/75/99/70/530759970.db2.gz RBRJATDQVZRYOH-JKSUJKDBSA-N 0 0 386.901 1.790 10 0 GDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000180251907 530761608 /nfs/dbraw/zinc/76/16/08/530761608.db2.gz QNGKYOSMCAAPJV-DOMZBBRYSA-N 0 0 396.285 1.567 10 0 GDAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cccnc2Br)cn1 ZINC000179656390 530746140 /nfs/dbraw/zinc/74/61/40/530746140.db2.gz NRFIVMRZMFCQDP-LBPRGKRZSA-N 0 0 378.230 1.880 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)c2cnn3cc(Br)cnc23)cn1 ZINC000181435445 530783618 /nfs/dbraw/zinc/78/36/18/530783618.db2.gz YRUBOIBPSNWKQG-CYBMUJFWSA-N 0 0 390.245 1.012 10 0 GDAERN C[C@H](CC1CC1)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000183113224 530809166 /nfs/dbraw/zinc/80/91/66/530809166.db2.gz UYDYHPGGTBGIRB-WPGHFRTFSA-N 0 0 386.901 1.769 10 0 GDAERN Cc1noc(CCNC(=O)NCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000101617811 530825873 /nfs/dbraw/zinc/82/58/73/530825873.db2.gz WLOKGVYPTPNNPS-UHFFFAOYSA-N 0 0 396.245 1.929 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106758967 530849518 /nfs/dbraw/zinc/84/95/18/530849518.db2.gz AEUCKULRRGWENP-HNNXBMFYSA-N 0 0 379.258 1.695 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000110382798 530867531 /nfs/dbraw/zinc/86/75/31/530867531.db2.gz YPZZYOLZKNGWER-CHWSQXEVSA-N 0 0 397.269 1.723 10 0 GDAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCO[C@H](c2nccs2)C1 ZINC000110881358 530870626 /nfs/dbraw/zinc/87/06/26/530870626.db2.gz SVQNVKCDSKDCBE-ZDUSSCGKSA-N 0 0 376.829 1.986 10 0 GDAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CCO[C@H](c4nccs4)C3)cc12 ZINC000111343354 530873460 /nfs/dbraw/zinc/87/34/60/530873460.db2.gz VIUSTPSZNKOKQV-ZDUSSCGKSA-N 0 0 379.467 1.495 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cccc(I)c2C)C1 ZINC000185231509 530838450 /nfs/dbraw/zinc/83/84/50/530838450.db2.gz ZIRIYUPVYJOOHN-UHFFFAOYSA-N 0 0 388.205 1.187 10 0 GDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000189134081 530908066 /nfs/dbraw/zinc/90/80/66/530908066.db2.gz KXDZYNOTJGQPRW-SECBINFHSA-N 0 0 386.168 1.925 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c(C)cc1Br ZINC000187919053 530880269 /nfs/dbraw/zinc/88/02/69/530880269.db2.gz ZXJRFNNSHCUQKS-UHFFFAOYSA-N 0 0 387.299 1.965 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1C)C(C)C ZINC000187923737 530880513 /nfs/dbraw/zinc/88/05/13/530880513.db2.gz SZMLNDXUTBNDPA-GFCCVEGCSA-N 0 0 388.237 1.722 10 0 GDAERN COc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112362526 530881581 /nfs/dbraw/zinc/88/15/81/530881581.db2.gz CKWDJQCTXSYXEW-AWEZNQCLSA-N 0 0 385.873 1.943 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188022216 530882446 /nfs/dbraw/zinc/88/24/46/530882446.db2.gz CUSKJCPXMZKLKR-UHFFFAOYSA-N 0 0 398.232 1.654 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188012260 530882685 /nfs/dbraw/zinc/88/26/85/530882685.db2.gz GTWDTSIZYFJTHQ-UHFFFAOYSA-N 0 0 398.232 1.654 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1Br ZINC000188015178 530882869 /nfs/dbraw/zinc/88/28/69/530882869.db2.gz SBDRKYBCPXWJBK-UHFFFAOYSA-N 0 0 394.269 1.823 10 0 GDAERN O=C(/C=C/c1ccc(I)o1)N[C@H]1CCc2ncnn2C1 ZINC000112663303 530883118 /nfs/dbraw/zinc/88/31/18/530883118.db2.gz YVUBRHFAFNIWCU-SWTNXBIASA-N 0 0 384.177 1.620 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000188078659 530884377 /nfs/dbraw/zinc/88/43/77/530884377.db2.gz BTUVGBMVMIYEAF-SNVBAGLBSA-N 0 0 378.479 1.736 10 0 GDAERN Cc1nc([C@@H]2CCCN2C(=O)Cn2cc(Br)c(=O)[nH]c2=O)cs1 ZINC000188124481 530885772 /nfs/dbraw/zinc/88/57/72/530885772.db2.gz CAWROKNJIPHZAG-NSHDSACASA-N 0 0 399.270 1.428 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c(C)c(Br)c1=O)CC2 ZINC000119707890 530930473 /nfs/dbraw/zinc/93/04/73/530930473.db2.gz DQLUTGHVTUWMQX-SECBINFHSA-N 0 0 380.246 1.757 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCN(c3cnn(C)c3)CC2)c(=O)c1Br ZINC000119740863 530930483 /nfs/dbraw/zinc/93/04/83/530930483.db2.gz LSMMDAOUBHGXLO-UHFFFAOYSA-N 0 0 380.246 1.554 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000190670383 530934724 /nfs/dbraw/zinc/93/47/24/530934724.db2.gz AVRGIRCEMZRFLN-SNVBAGLBSA-N 0 0 380.242 1.075 10 0 GDAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1ccncc1I ZINC000119884996 530932749 /nfs/dbraw/zinc/93/27/49/530932749.db2.gz PCRYEPNZVYUBBT-KCJUWKMLSA-N 0 0 390.177 1.089 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000119908913 530933112 /nfs/dbraw/zinc/93/31/12/530933112.db2.gz NYRCOJRMULWACH-NSHDSACASA-N 0 0 396.220 1.982 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C[C@H]1C ZINC000117522627 530912514 /nfs/dbraw/zinc/91/25/14/530912514.db2.gz BSNWQGOBKDUDDJ-CYBMUJFWSA-N 0 0 398.301 1.875 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2cc(Br)ccc2F)C[C@H]1C ZINC000117370058 530912537 /nfs/dbraw/zinc/91/25/37/530912537.db2.gz BMSRIJXPIFBSCN-LLVKDONJSA-N 0 0 395.294 1.929 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000117370147 530912790 /nfs/dbraw/zinc/91/27/90/530912790.db2.gz DTLVHWGTNQTONG-JTQLQIEISA-N 0 0 383.333 1.852 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C[C@@H]1C ZINC000117522630 530913002 /nfs/dbraw/zinc/91/30/02/530913002.db2.gz BSNWQGOBKDUDDJ-ZDUSSCGKSA-N 0 0 398.301 1.875 10 0 GDAERN C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000189548533 530915888 /nfs/dbraw/zinc/91/58/88/530915888.db2.gz DRVTYAAQRHJBPN-JTQLQIEISA-N 0 0 386.898 1.741 10 0 GDAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192201528 530964115 /nfs/dbraw/zinc/96/41/15/530964115.db2.gz GTRBCAWEILKGBA-VIFPVBQESA-N 0 0 383.695 1.711 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000120039520 530934957 /nfs/dbraw/zinc/93/49/57/530934957.db2.gz AIJMQMYEFLTDKU-CQSZACIVSA-N 0 0 386.290 1.881 10 0 GDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000190731527 530936155 /nfs/dbraw/zinc/93/61/55/530936155.db2.gz QURCIQMLEZNEFY-MRXNPFEDSA-N 0 0 383.242 1.733 10 0 GDAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000120442420 530940446 /nfs/dbraw/zinc/94/04/46/530940446.db2.gz VVKAWTLLNNQWOU-CQSZACIVSA-N 0 0 385.917 1.901 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)N2CCCN(C)C(=O)C2)cc1Br ZINC000191042486 530942893 /nfs/dbraw/zinc/94/28/93/530942893.db2.gz WKBQYGSCFZAQIJ-UHFFFAOYSA-N 0 0 382.258 1.695 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000191498352 530950063 /nfs/dbraw/zinc/95/00/63/530950063.db2.gz PPCOFAYFBOYFKC-GFCCVEGCSA-N 0 0 380.242 1.149 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000121108698 530950858 /nfs/dbraw/zinc/95/08/58/530950858.db2.gz HBVRMJPCLGBCGP-ZDUSSCGKSA-N 0 0 383.242 1.618 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000121274412 530953786 /nfs/dbraw/zinc/95/37/86/530953786.db2.gz FZBLMUKRMUWLOG-LBPRGKRZSA-N 0 0 382.258 1.823 10 0 GDAERN COC(=O)C[C@H](NC(=O)C(=O)NCC1CC1)c1cccc(Br)c1 ZINC000191781398 530954559 /nfs/dbraw/zinc/95/45/59/530954559.db2.gz NZAOGXIINRBRLM-ZDUSSCGKSA-N 0 0 383.242 1.696 10 0 GDAERN C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cc(Br)cnc1N(C)C ZINC000191795527 530954702 /nfs/dbraw/zinc/95/47/02/530954702.db2.gz ALHVGJUHBMEZAF-JTQLQIEISA-N 0 0 390.303 1.559 10 0 GDAERN O=C(NCCCO)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000193991759 530997599 /nfs/dbraw/zinc/99/75/99/530997599.db2.gz GBCFVKRKMXLSNT-OAHLLOKOSA-N 0 0 380.491 1.362 10 0 GDAERN CN(CCO)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000193984931 530997789 /nfs/dbraw/zinc/99/77/89/530997789.db2.gz WKQZCFQOJHKVMK-HNNXBMFYSA-N 0 0 380.491 1.314 10 0 GDAERN NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000195009531 531013342 /nfs/dbraw/zinc/01/33/42/531013342.db2.gz YFROHLIRNURWCH-CYBMUJFWSA-N 0 0 397.250 1.960 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194272490 531001601 /nfs/dbraw/zinc/00/16/01/531001601.db2.gz OLVHMCOFPDYJAA-ZBFHGGJFSA-N 0 0 383.286 1.668 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1Br ZINC000245937021 531061457 /nfs/dbraw/zinc/06/14/57/531061457.db2.gz ABFQZLAJIRYUKS-GHMZBOCLSA-N 0 0 396.328 1.954 10 0 GDAERN Cc1cc(CCC(=O)NC[C@H](O)CN2CCOCC2)ccc1Br ZINC000128028440 531036386 /nfs/dbraw/zinc/03/63/86/531036386.db2.gz OIAFHENBTHKALB-HNNXBMFYSA-N 0 0 385.302 1.499 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000245546844 531058094 /nfs/dbraw/zinc/05/80/94/531058094.db2.gz WTMIUDWNUOEOEX-VXGBXAGGSA-N 0 0 382.511 1.637 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245535894 531058492 /nfs/dbraw/zinc/05/84/92/531058492.db2.gz KXKWBKLJUKZRAT-CHWSQXEVSA-N 0 0 397.324 1.747 10 0 GDAERN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000245643826 531059122 /nfs/dbraw/zinc/05/91/22/531059122.db2.gz ZIWPFPINQQBTQZ-ZJUUUORDSA-N 0 0 398.959 1.662 10 0 GDAERN Cc1nc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)cn1C ZINC000248345098 531078129 /nfs/dbraw/zinc/07/81/29/531078129.db2.gz MJQHZSWQSSTWMR-JSGCOSHPSA-N 0 0 384.527 1.530 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000249170654 531084622 /nfs/dbraw/zinc/08/46/22/531084622.db2.gz LEHNTXBKLGXKKU-OLZOCXBDSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@H]1N1CCOCC1 ZINC000249217259 531085224 /nfs/dbraw/zinc/08/52/24/531085224.db2.gz FFAJSNUMYWHOMN-BXKDBHETSA-N 0 0 382.379 1.584 10 0 GDAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249457816 531086746 /nfs/dbraw/zinc/08/67/46/531086746.db2.gz OBSIFDAXNOOKHK-AAEUAGOBSA-N 0 0 395.428 1.904 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000253356095 531091894 /nfs/dbraw/zinc/09/18/94/531091894.db2.gz WJUFDOJCBJOQCK-OLZOCXBDSA-N 0 0 385.452 1.191 10 0 GDAERN CN(C[C@@H]1CCCN1c1cccnn1)c1cnn(C)c(=O)c1Br ZINC000261479110 531093500 /nfs/dbraw/zinc/09/35/00/531093500.db2.gz TVNCNCKOIBBHAP-NSHDSACASA-N 0 0 379.262 1.438 10 0 GDAERN O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134704110 531103390 /nfs/dbraw/zinc/10/33/90/531103390.db2.gz IIRZMZNICKWWOK-GFCCVEGCSA-N 0 0 396.893 1.668 10 0 GDAERN COc1ccc(Cl)cc1CNC(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000131376253 531070443 /nfs/dbraw/zinc/07/04/43/531070443.db2.gz KIZOFFWCSFLRLH-VWLOTQADSA-N 0 0 385.877 1.481 10 0 GDAERN C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1nnc2n1CCCC2 ZINC000135268404 531107909 /nfs/dbraw/zinc/10/79/09/531107909.db2.gz ZJEOTAGQCSXTPP-JTQLQIEISA-N 0 0 380.246 1.416 10 0 GDAERN COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C ZINC000137884837 531118945 /nfs/dbraw/zinc/11/89/45/531118945.db2.gz FTJJOZPLSTXSMS-SFYZADRCSA-N 0 0 377.337 1.404 10 0 GDAERN NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000151142516 531133587 /nfs/dbraw/zinc/13/35/87/531133587.db2.gz KUZFQKUKZKNUMI-NOZJJQNGSA-N 0 0 391.287 1.377 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000151201337 531135190 /nfs/dbraw/zinc/13/51/90/531135190.db2.gz SXSNTHOQJFDSSD-OCCSQVGLSA-N 0 0 394.273 1.838 10 0 GDAERN Cc1csc([C@H]2CCCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)n1 ZINC000152549779 531153642 /nfs/dbraw/zinc/15/36/42/531153642.db2.gz UKGHADCPQHMPMR-UONOGXRCSA-N 0 0 386.543 1.765 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CCN1CCOC ZINC000154139848 531178508 /nfs/dbraw/zinc/17/85/08/531178508.db2.gz LSCQQNVPCSAUGW-AWEZNQCLSA-N 0 0 399.289 1.352 10 0 GDAERN CCN(C(=O)CN1CCC(c2nc(C)cs2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000156731892 531205600 /nfs/dbraw/zinc/20/56/00/531205600.db2.gz YBJCAGBLSHEUNC-OAHLLOKOSA-N 0 0 385.555 1.667 10 0 GDAERN Cn1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc(Br)c1=O ZINC000156278034 531204648 /nfs/dbraw/zinc/20/46/48/531204648.db2.gz CBFQSKKQWQSFBY-LBPRGKRZSA-N 0 0 385.262 1.086 10 0 GDAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000156643707 531205373 /nfs/dbraw/zinc/20/53/73/531205373.db2.gz GGONMBZMLWSZRE-SECBINFHSA-N 0 0 398.648 1.764 10 0 GDAERN CC1(C)CN(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000408026482 531211439 /nfs/dbraw/zinc/21/14/39/531211439.db2.gz FFOSLRBAROXAJO-WFASDCNBSA-N 0 0 376.425 1.428 10 0 GDAERN Cc1noc([C@@H]2[C@@H](C)OCCN2S(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000408028318 531212015 /nfs/dbraw/zinc/21/20/15/531212015.db2.gz CYIORJKTSFXDTQ-UHLUBPPHSA-N 0 0 377.344 1.946 10 0 GDAERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1C ZINC000408059038 531215906 /nfs/dbraw/zinc/21/59/06/531215906.db2.gz FPFWJFFNFJIWID-JTQLQIEISA-N 0 0 389.315 1.937 10 0 GDAERN O=C(c1ccc(Br)cc1Br)N1C[C@@H](O)C[C@@H]1CO ZINC000408128515 531220859 /nfs/dbraw/zinc/22/08/59/531220859.db2.gz JSVBBJCUVJHCBH-BDAKNGLRSA-N 0 0 379.048 1.779 10 0 GDAERN Cn1cnc2c(c1=O)CCN(C(=O)c1cc3c(c(Br)c1)OCO3)C2 ZINC000408324938 531232627 /nfs/dbraw/zinc/23/26/27/531232627.db2.gz SZONZWCZIFARET-UHFFFAOYSA-N 0 0 392.209 1.470 10 0 GDAERN CS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2ccnc2)c(S(C)(=O)=O)c1 ZINC000267394446 531423174 /nfs/dbraw/zinc/42/31/74/531423174.db2.gz OCYYTIYIUICJIC-CYBMUJFWSA-N 0 0 383.495 1.359 10 0 GDAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000296006770 531643785 /nfs/dbraw/zinc/64/37/85/531643785.db2.gz MKHFSZOAUCQBTM-UHFFFAOYSA-N 0 0 392.250 1.295 10 0 GDAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cc2c(cc1Br)OCCO2 ZINC000269696689 531717470 /nfs/dbraw/zinc/71/74/70/531717470.db2.gz KALKIOFFQIVGMT-MNOVXSKESA-N 0 0 392.271 1.802 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)ccc1Br ZINC000284874598 531999994 /nfs/dbraw/zinc/99/99/94/531999994.db2.gz YWPOOVHJIYAIDJ-SKDRFNHKSA-N 0 0 377.260 1.021 10 0 GDAERN CS(=O)(=O)N1CCO[C@H](c2nnc([C@H]3SCCc4ccccc43)o2)C1 ZINC000328629830 532089541 /nfs/dbraw/zinc/08/95/41/532089541.db2.gz IROWLPDXEKNXDB-KBPBESRZSA-N 0 0 381.479 1.781 10 0 GDAERN Cc1cccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1I ZINC000285618797 532099058 /nfs/dbraw/zinc/09/90/58/532099058.db2.gz SFLMTOXZINIPKL-CQSZACIVSA-N 0 0 388.205 1.052 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000286530288 532157773 /nfs/dbraw/zinc/15/77/73/532157773.db2.gz VVQFEVSYAMKFCZ-QGZVFWFLSA-N 0 0 397.269 1.544 10 0 GDAERN O=C(N[C@@H]1CCCNC1=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000332926319 532212584 /nfs/dbraw/zinc/21/25/84/532212584.db2.gz KIGAIYOYLIUJCY-HUUCEWRRSA-N 0 0 380.286 1.981 10 0 GDAERN CC[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H](C)[S@@]1=O ZINC000333897789 532254852 /nfs/dbraw/zinc/25/48/52/532254852.db2.gz BBRVFNUXAXHHSK-QRRAURDBSA-N 0 0 385.287 1.863 10 0 GDAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC000333928990 532257966 /nfs/dbraw/zinc/25/79/66/532257966.db2.gz XXZSOADYOMDXSX-OAGGEKHMSA-N 0 0 384.885 1.925 10 0 GDAERN [NH3+]CCCC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000255972718 206285174 /nfs/dbraw/zinc/28/51/74/206285174.db2.gz FUEMHWCBWYXAOU-KSZLIROESA-N 0 0 387.480 1.403 10 0 GDAERN [NH3+]C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)CCO1 ZINC000003798433 206293304 /nfs/dbraw/zinc/29/33/04/206293304.db2.gz MVKGRIHKSLEKTE-SNVBAGLBSA-N 0 0 379.363 1.477 10 0 GDAERN O=C(c1cccs1)N1CCN2C(=O)[C@H](COCc3ccccc3)NC(=O)[C@H]2C1 ZINC000014750747 207029410 /nfs/dbraw/zinc/02/94/10/207029410.db2.gz BKXNGZLJWJJVQD-JKSUJKDBSA-N 0 0 399.472 1.116 10 0 GDAERN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)NCc1ccco1 ZINC000020578832 207204365 /nfs/dbraw/zinc/20/43/65/207204365.db2.gz ITOMUJNMEINNMK-UHFFFAOYSA-N 0 0 391.449 1.539 10 0 GDAERN O=C(CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NCc1ccncc1 ZINC000041253898 207622052 /nfs/dbraw/zinc/62/20/52/207622052.db2.gz DXWSIHWYFWBPKI-UHFFFAOYSA-N 0 0 378.388 1.741 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc2cccnc21 ZINC000097015115 209015278 /nfs/dbraw/zinc/01/52/78/209015278.db2.gz DFAJYGNSBMVHIF-OAHLLOKOSA-N 0 0 387.465 1.927 10 0 GDAERN CC(C)(C)OC(=O)N1CCN(Cc2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000261338488 209081193 /nfs/dbraw/zinc/08/11/93/209081193.db2.gz LCEDCILOFCXAFH-CVEARBPZSA-N 0 0 382.482 1.611 10 0 GDAERN CC[NH+]1CCN([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536960771 570471013 /nfs/dbraw/zinc/47/10/13/570471013.db2.gz XVMSLOKMUMJYAM-MSOLQXFVSA-N 0 0 375.469 1.736 10 0 GDAERN C[C@H](C(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1)c1ccccc1 ZINC000096333008 570620133 /nfs/dbraw/zinc/62/01/33/570620133.db2.gz FYLWCUPPRCTOCJ-HNNXBMFYSA-N 0 0 377.448 1.781 10 0 GDAERN CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1cccc(-n2cccn2)c1 ZINC000012443383 570677783 /nfs/dbraw/zinc/67/77/83/570677783.db2.gz ZLVHPASXVSQWRU-GOSISDBHSA-N 0 0 383.496 1.725 10 0 GDAERN Cn1ccnc(N2CCC[C@H](N[C@H](C(=O)NC3CC3)c3ccccc3)C2)c1=O ZINC000275359204 570690991 /nfs/dbraw/zinc/69/09/91/570690991.db2.gz ATZHSORTTKLGPI-ROUUACIJSA-N 0 0 381.480 1.359 10 0 GDAERN CC(C)N1CCn2nc(C(=O)N3CCCC[C@H]3CCN3CCOCC3)cc2C1 ZINC000065502292 570771088 /nfs/dbraw/zinc/77/10/88/570771088.db2.gz ZIVVFUDCWOHKRS-SFHVURJKSA-N 0 0 389.544 1.824 10 0 GDAERN Cc1csc([C@@](O)(CC(=O)NC[C@@H](C)N2CCOCC2)C(F)(F)F)n1 ZINC000109026520 644621255 /nfs/dbraw/zinc/62/12/55/644621255.db2.gz CCDXZNXCSGOOSZ-RISCZKNCSA-N 0 0 381.420 1.428 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C[C@@H]1CC ZINC000116899207 644649085 /nfs/dbraw/zinc/64/90/85/644649085.db2.gz DUUMFXWPXATVOD-ZDUSSCGKSA-N 0 0 378.926 1.503 10 0 GDAERN COc1ccc(Br)c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126815909 644722472 /nfs/dbraw/zinc/72/24/72/644722472.db2.gz KRTKXRMZZRSGIZ-SECBINFHSA-N 0 0 377.260 1.173 10 0 GDAERN C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccc(Br)cc1 ZINC000126673373 644722566 /nfs/dbraw/zinc/72/25/66/644722566.db2.gz MMUUEWRAYGFIMI-ZWNOBZJWSA-N 0 0 375.288 1.403 10 0 GDAERN S=c1n(CN2CC[C@@H](N3CCOCC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000172961657 644886168 /nfs/dbraw/zinc/88/61/68/644886168.db2.gz PUNQBXFWYFTEJZ-OAHLLOKOSA-N 0 0 380.905 1.816 10 0 GDAERN CC(=O)N(c1nn(CN2CC[C@@H](N3CCOCC3)C2)c(=S)s1)C1CC1 ZINC000172962157 644886348 /nfs/dbraw/zinc/88/63/48/644886348.db2.gz PVMSTNXSQXVVEM-CQSZACIVSA-N 0 0 383.543 1.553 10 0 GDAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000182529988 644962132 /nfs/dbraw/zinc/96/21/32/644962132.db2.gz MBGUWFCTWBHDFZ-NSHDSACASA-N 0 0 375.834 1.846 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000183667479 644971760 /nfs/dbraw/zinc/97/17/60/644971760.db2.gz ZYNGNHSTIRFTKI-GFCCVEGCSA-N 0 0 391.877 1.898 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c(Br)n1 ZINC000190770879 645023181 /nfs/dbraw/zinc/02/31/81/645023181.db2.gz YNDSJGRYMLNWPJ-GFCCVEGCSA-N 0 0 392.257 1.979 10 0 GDAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(NC(C)=O)C2)c1 ZINC000191497824 645031311 /nfs/dbraw/zinc/03/13/11/645031311.db2.gz RDESGLMMPBUEAD-UHFFFAOYSA-N 0 0 389.271 1.203 10 0 GDAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000262855798 645142102 /nfs/dbraw/zinc/14/21/02/645142102.db2.gz XYVCLLBBSWHWOQ-UHFFFAOYSA-N 0 0 396.437 1.412 10 0 GDAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3csc(-c4ccccc4)n3)C[C@H]21 ZINC000328887968 645285226 /nfs/dbraw/zinc/28/52/26/645285226.db2.gz PVOSBLLWJYYXFR-CABCVRRESA-N 0 0 379.507 1.904 10 0 GDAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000329350392 645307868 /nfs/dbraw/zinc/30/78/68/645307868.db2.gz FAVVUDMLRIKBQO-UONOGXRCSA-N 0 0 387.527 1.637 10 0 GDAERN C[C@H](NC(=O)Cn1nc(Br)c(Br)n1)[C@@H]1CCCO1 ZINC000900188078 659089826 /nfs/dbraw/zinc/08/98/26/659089826.db2.gz QSGSLJMUIXTPSU-BQBZGAKWSA-N 0 0 382.056 1.487 10 0 GDAERN C[C@H](NC(=O)Cn1nc(Br)c(Br)n1)[C@H]1CCCO1 ZINC000900188079 659089971 /nfs/dbraw/zinc/08/99/71/659089971.db2.gz QSGSLJMUIXTPSU-NKWVEPMBSA-N 0 0 382.056 1.487 10 0 GDAERN CN(C)S(=O)(=O)[C@@H]1CN(C(=O)c2nccnc2Cl)C[C@H]1C(F)(F)F ZINC000908161196 659877522 /nfs/dbraw/zinc/87/75/22/659877522.db2.gz DRSSWCRFNWJPLP-HTQZYQBOSA-N 0 0 386.783 1.024 10 0 GDAERN Cc1c(I)cccc1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909174086 659941549 /nfs/dbraw/zinc/94/15/49/659941549.db2.gz WKBCOSTXXZUTMG-HZSPNIEDSA-N 0 0 397.216 1.900 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000708546851 955000165 /nfs/dbraw/zinc/00/01/65/955000165.db2.gz RUZQYDJABFLOFZ-XIRDDKMYSA-N 0 0 381.498 1.138 10 0 GDAERN CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000720046775 955174219 /nfs/dbraw/zinc/17/42/19/955174219.db2.gz WXSYXIWUQOSESX-MSOLQXFVSA-N 0 0 395.525 1.767 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000708533373 977434448 /nfs/dbraw/zinc/43/44/48/977434448.db2.gz QDHRYNOKEOTOER-GDBMZVCRSA-N 0 0 392.481 1.014 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000718067536 977939320 /nfs/dbraw/zinc/93/93/20/977939320.db2.gz UNFMPIIQUQWBGC-SFHVURJKSA-N 0 0 395.525 1.528 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC000718067531 977939757 /nfs/dbraw/zinc/93/97/57/977939757.db2.gz UNFMPIIQUQWBGC-GOSISDBHSA-N 0 0 395.525 1.528 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000166820217 530583809 /nfs/dbraw/zinc/58/38/09/530583809.db2.gz QSHYPKWYSYTIRS-NSHDSACASA-N 0 0 388.649 1.778 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@H](n2cncn2)C1 ZINC000170897977 530591080 /nfs/dbraw/zinc/59/10/80/530591080.db2.gz KGKJDCNFDSZDNP-JTQLQIEISA-N 0 0 398.286 1.696 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000171225163 530596157 /nfs/dbraw/zinc/59/61/57/530596157.db2.gz OQTRRPJQMFOSMP-RKDXNWHRSA-N 0 0 379.219 1.821 10 0 GDAERN COC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000171522407 530600319 /nfs/dbraw/zinc/60/03/19/530600319.db2.gz KJICDECWWWBPPH-LLVKDONJSA-N 0 0 378.853 1.595 10 0 GDAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)s1 ZINC000172221562 530610433 /nfs/dbraw/zinc/61/04/33/530610433.db2.gz IBZLTRNHIUGRMR-SNVBAGLBSA-N 0 0 386.524 1.941 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041602066 530622839 /nfs/dbraw/zinc/62/28/39/530622839.db2.gz GQEQINNJLDYOSS-LBPRGKRZSA-N 0 0 384.274 1.533 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)cn3C)CC2)no1 ZINC000173306226 530627677 /nfs/dbraw/zinc/62/76/77/530627677.db2.gz JOPJZWXADQORFT-UHFFFAOYSA-N 0 0 382.262 1.827 10 0 GDAERN O=C(NCCOc1ccc(Br)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173796191 530637377 /nfs/dbraw/zinc/63/73/77/530637377.db2.gz BHHMDJFAWGOKJU-HNNXBMFYSA-N 0 0 398.301 1.944 10 0 GDAERN Brc1ccc(-c2nnc(CN3CC[C@H](N4CCOCC4)C3)o2)o1 ZINC000173903822 530639953 /nfs/dbraw/zinc/63/99/53/530639953.db2.gz KPXIZBRHTDAMSD-NSHDSACASA-N 0 0 383.246 1.999 10 0 GDAERN C[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173949621 530640114 /nfs/dbraw/zinc/64/01/14/530640114.db2.gz ZECMJMUCEKAVQZ-CZUORRHYSA-N 0 0 379.507 1.970 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)N1CCOCC1 ZINC000174629154 530651367 /nfs/dbraw/zinc/65/13/67/530651367.db2.gz IOJGUUZLLQCXSG-SNVBAGLBSA-N 0 0 388.237 1.364 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(Br)cn3)C2=O)n(C)n1 ZINC000175018127 530657904 /nfs/dbraw/zinc/65/79/04/530657904.db2.gz NAAAHPRXAQXNTB-CYBMUJFWSA-N 0 0 392.257 1.811 10 0 GDAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1nc2ncc(Br)cn2n1 ZINC000175755187 530669985 /nfs/dbraw/zinc/66/99/85/530669985.db2.gz YXTWQKBSFIMFSY-QMMMGPOBSA-N 0 0 384.234 1.689 10 0 GDAERN COc1ccc(Br)cc1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000050134680 530675233 /nfs/dbraw/zinc/67/52/33/530675233.db2.gz IWMKJCJGXIPUOU-LBPRGKRZSA-N 0 0 386.290 1.978 10 0 GDAERN CC(C)CS(=O)(=O)CC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000176540551 530685034 /nfs/dbraw/zinc/68/50/34/530685034.db2.gz DFSCRGRBSRTJMT-HNNXBMFYSA-N 0 0 388.555 1.651 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@@H]1N1CCOCC1 ZINC000176991237 530695520 /nfs/dbraw/zinc/69/55/20/530695520.db2.gz CTRGARUHRQRETG-PWSUYJOCSA-N 0 0 395.344 1.852 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000177207742 530699719 /nfs/dbraw/zinc/69/97/19/530699719.db2.gz YYABCYVTLHPFKM-GFCCVEGCSA-N 0 0 390.245 1.697 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178355163 530719615 /nfs/dbraw/zinc/71/96/15/530719615.db2.gz AUBREGJWSQJGGE-WBVHZDCISA-N 0 0 389.249 1.953 10 0 GDAERN CN(CC(C)(C)O)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000176460667 530684170 /nfs/dbraw/zinc/68/41/70/530684170.db2.gz LTMPRBURDNZGRT-CYBMUJFWSA-N 0 0 388.917 1.970 10 0 GDAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(Br)s1)C(C)C ZINC000179128351 530735803 /nfs/dbraw/zinc/73/58/03/530735803.db2.gz ATEYKLADMPQIAI-LLVKDONJSA-N 0 0 376.276 1.127 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000179250022 530737268 /nfs/dbraw/zinc/73/72/68/530737268.db2.gz CIMSTTAZOIYFIA-ZDUSSCGKSA-N 0 0 397.273 1.698 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000179483161 530742426 /nfs/dbraw/zinc/74/24/26/530742426.db2.gz VFSIHOZRVHNZGH-ZIAGYGMSSA-N 0 0 376.210 1.557 10 0 GDAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000178962141 530732357 /nfs/dbraw/zinc/73/23/57/530732357.db2.gz VBAJNRNNNBBHJD-VIFPVBQESA-N 0 0 391.686 1.701 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000180226656 530760856 /nfs/dbraw/zinc/76/08/56/530760856.db2.gz MWNXLKFEEGDAHD-GFCCVEGCSA-N 0 0 384.223 1.959 10 0 GDAERN CCc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)s1 ZINC000067117960 530773199 /nfs/dbraw/zinc/77/31/99/530773199.db2.gz CLZNUQDIFLHDQX-INIZCTEOSA-N 0 0 381.567 1.967 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181357976 530782103 /nfs/dbraw/zinc/78/21/03/530782103.db2.gz KRXCUYHZTNNJDX-SECBINFHSA-N 0 0 377.206 1.372 10 0 GDAERN CN(C)c1nc2sc(C(=O)N3CCNC[C@@H]3c3cnn(C)c3)cc2s1 ZINC000181398451 530783035 /nfs/dbraw/zinc/78/30/35/530783035.db2.gz DBDPCFDXQAJNEV-LLVKDONJSA-N 0 0 376.511 1.944 10 0 GDAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000182350605 530797685 /nfs/dbraw/zinc/79/76/85/530797685.db2.gz BHBYSLPKZDMAOV-ZDUSSCGKSA-N 0 0 385.452 1.287 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)N[C@H](C)C[S@@](C)=O)CC1 ZINC000182563230 530801146 /nfs/dbraw/zinc/80/11/46/530801146.db2.gz HBMKAGAEWVKODN-XELLLNAOSA-N 0 0 389.953 1.230 10 0 GDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)c1 ZINC000181689812 530789682 /nfs/dbraw/zinc/78/96/82/530789682.db2.gz MZZDLGDZPMZBCY-OAHLLOKOSA-N 0 0 382.873 1.611 10 0 GDAERN CC(=O)N1CC[C@H](C(=O)Nc2ncc(F)cc2I)C1 ZINC000181882427 530792170 /nfs/dbraw/zinc/79/21/70/530792170.db2.gz FGSJHDKMIOAOCY-QMMMGPOBSA-N 0 0 377.157 1.632 10 0 GDAERN CCS(=O)(=O)NCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000102259720 530827526 /nfs/dbraw/zinc/82/75/26/530827526.db2.gz BXHYRZXJNCKVAJ-UHFFFAOYSA-N 0 0 377.304 1.782 10 0 GDAERN CN1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc2C1 ZINC000103498008 530835666 /nfs/dbraw/zinc/83/56/66/530835666.db2.gz SJQJDKDPOCSATI-UHFFFAOYSA-N 0 0 380.491 1.731 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H](Cn2cncn2)C1 ZINC000094161735 530816490 /nfs/dbraw/zinc/81/64/90/530816490.db2.gz QXWLOQRZDRROMF-LLVKDONJSA-N 0 0 390.245 1.636 10 0 GDAERN CNC(=O)[C@H]1CN(C(=O)/C=C/c2cc(Br)ccc2OC)CCO1 ZINC000183541397 530816947 /nfs/dbraw/zinc/81/69/47/530816947.db2.gz IRDNCAJJAAWZJT-BOTMBNHJSA-N 0 0 383.242 1.444 10 0 GDAERN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000183609289 530817952 /nfs/dbraw/zinc/81/79/52/530817952.db2.gz MSLVJNXHBKXVRB-SECBINFHSA-N 0 0 397.266 1.206 10 0 GDAERN CN(C)S(=O)(=O)c1cccc(CN2CCN(c3cccs3)C(=O)C2)c1 ZINC000186108474 530851839 /nfs/dbraw/zinc/85/18/39/530851839.db2.gz RRMOIFHWKLQNQY-UHFFFAOYSA-N 0 0 379.507 1.847 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000186317890 530855173 /nfs/dbraw/zinc/85/51/73/530855173.db2.gz IFADMLBBZLVWEA-UHFFFAOYSA-N 0 0 377.622 1.395 10 0 GDAERN CCc1nc2n(n1)C[C@@H](Nc1ncnc3c1c(Br)nn3C)CC2 ZINC000108948469 530859870 /nfs/dbraw/zinc/85/98/70/530859870.db2.gz JBMLXUPXFPVGHA-QMMMGPOBSA-N 0 0 377.250 1.707 10 0 GDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000110382796 530867178 /nfs/dbraw/zinc/86/71/78/530867178.db2.gz YPZZYOLZKNGWER-STQMWFEESA-N 0 0 397.269 1.723 10 0 GDAERN CSc1ccccc1S(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000187374859 530872451 /nfs/dbraw/zinc/87/24/51/530872451.db2.gz RBEDWALPOMPSMZ-UHFFFAOYSA-N 0 0 382.511 1.997 10 0 GDAERN Cc1cc(N2CC[C@@H](NC(=O)CC(=O)N(C)C)C2=O)ccc1Br ZINC000185414140 530841572 /nfs/dbraw/zinc/84/15/72/530841572.db2.gz ACVMVXJGNNJYJE-CYBMUJFWSA-N 0 0 382.258 1.457 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)C[C@@H](C)O1 ZINC000105549139 530842892 /nfs/dbraw/zinc/84/28/92/530842892.db2.gz QKDSQQPYZGYOLK-KFWWJZLASA-N 0 0 389.543 1.065 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000189333454 530911465 /nfs/dbraw/zinc/91/14/65/530911465.db2.gz WAWWORHJAKLSSN-NWDGAFQWSA-N 0 0 396.245 1.936 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000188797405 530901345 /nfs/dbraw/zinc/90/13/45/530901345.db2.gz MFXFBMAVTYQCMX-TZMCWYRMSA-N 0 0 375.252 1.860 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCc1ccc(Br)cc1F ZINC000189038258 530906612 /nfs/dbraw/zinc/90/66/12/530906612.db2.gz WVTIKCBUWUOZTR-UKRRQHHQSA-N 0 0 387.249 1.619 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](CC(C)C)CN(C)C ZINC000189139189 530909373 /nfs/dbraw/zinc/90/93/73/530909373.db2.gz XTNRUVXSONAJMI-CQSZACIVSA-N 0 0 376.544 1.653 10 0 GDAERN COCC(=O)NC1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000187714239 530876140 /nfs/dbraw/zinc/87/61/40/530876140.db2.gz NDMRBDKSJDVOFP-UHFFFAOYSA-N 0 0 386.779 1.494 10 0 GDAERN Cc1cnn(C[C@@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCO2)c1 ZINC000112064738 530878154 /nfs/dbraw/zinc/87/81/54/530878154.db2.gz KOCTTXPBFOAYFB-AWEZNQCLSA-N 0 0 395.257 1.043 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188019913 530882417 /nfs/dbraw/zinc/88/24/17/530882417.db2.gz BNBVNTGBCHPKKU-UHFFFAOYSA-N 0 0 398.232 1.654 10 0 GDAERN CC1(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)COC1 ZINC000112618870 530882842 /nfs/dbraw/zinc/88/28/42/530882842.db2.gz CSROFAXRXNQUJJ-ZDUSSCGKSA-N 0 0 386.901 1.893 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000188121106 530885824 /nfs/dbraw/zinc/88/58/24/530885824.db2.gz NWZFRIYYFXQJOV-QWHCGFSZSA-N 0 0 398.301 1.610 10 0 GDAERN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000188218316 530889375 /nfs/dbraw/zinc/88/93/75/530889375.db2.gz ALNWAEMDJSFARH-GFCCVEGCSA-N 0 0 380.507 1.484 10 0 GDAERN O=C(NC1CN(C(=O)c2cncc(I)c2)C1)C1CCC1 ZINC000188511656 530895484 /nfs/dbraw/zinc/89/54/84/530895484.db2.gz UCYFISSWUIQSSP-UHFFFAOYSA-N 0 0 385.205 1.427 10 0 GDAERN CC(=O)NC1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000188551722 530895927 /nfs/dbraw/zinc/89/59/27/530895927.db2.gz WELSDTIQCOQUBA-UHFFFAOYSA-N 0 0 376.276 1.024 10 0 GDAERN COCC(=O)NC1CN(C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000188532674 530896148 /nfs/dbraw/zinc/89/61/48/530896148.db2.gz QOWPSLKHNAFITH-UHFFFAOYSA-N 0 0 390.665 1.759 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C ZINC000190597250 530933380 /nfs/dbraw/zinc/93/33/80/530933380.db2.gz KPSIESFVXZFNAG-VHSXEESVSA-N 0 0 392.258 1.985 10 0 GDAERN O=C(CCNC(=O)c1ccc(Br)cc1)N1CC(NC(=O)C2CC2)C1 ZINC000189472051 530914277 /nfs/dbraw/zinc/91/42/77/530914277.db2.gz ITLKJDCROIUSCW-UHFFFAOYSA-N 0 0 394.269 1.306 10 0 GDAERN Cc1cnn(CCNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)c1 ZINC000117810416 530914384 /nfs/dbraw/zinc/91/43/84/530914384.db2.gz JBNANBHMYHCJEI-SNVBAGLBSA-N 0 0 385.287 1.950 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000118115526 530915921 /nfs/dbraw/zinc/91/59/21/530915921.db2.gz NWZKZWMJRUQVGZ-SNVBAGLBSA-N 0 0 379.766 1.744 10 0 GDAERN O=C(c1ccncc1I)N1CCC[C@H](n2cncn2)C1 ZINC000120016511 530934427 /nfs/dbraw/zinc/93/44/27/530934427.db2.gz BKKOMPMJCPLCOD-JTQLQIEISA-N 0 0 383.193 1.755 10 0 GDAERN CN1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1=O ZINC000189816389 530921296 /nfs/dbraw/zinc/92/12/96/530921296.db2.gz JQWJZWJYBRQNBH-UHFFFAOYSA-N 0 0 378.226 1.595 10 0 GDAERN C[C@H](CNC(=O)Cc1ccccc1I)N1CCOCC1 ZINC000119077996 530921658 /nfs/dbraw/zinc/92/16/58/530921658.db2.gz BVSWCXXNDSKKLC-GFCCVEGCSA-N 0 0 388.249 1.671 10 0 GDAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119149322 530922656 /nfs/dbraw/zinc/92/26/56/530922656.db2.gz QWGLDSZERXMFAY-GFUIURDCSA-N 0 0 386.905 1.422 10 0 GDAERN CCc1nc2n(n1)C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000119226309 530923164 /nfs/dbraw/zinc/92/31/64/530923164.db2.gz WBMVFGIDDIJUDL-BONVTDFDSA-N 0 0 396.264 1.873 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000119983578 530934558 /nfs/dbraw/zinc/93/45/58/530934558.db2.gz MYNZPJWGHHSREU-SNVBAGLBSA-N 0 0 393.246 1.859 10 0 GDAERN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H]1CNC(=O)C1 ZINC000190162028 530926315 /nfs/dbraw/zinc/92/63/15/530926315.db2.gz BJFHOCWURGRFSH-GFCCVEGCSA-N 0 0 383.242 1.477 10 0 GDAERN CC(=O)NC1CN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000190191194 530926474 /nfs/dbraw/zinc/92/64/74/530926474.db2.gz LCBWHFUKGYIOMU-UHFFFAOYSA-N 0 0 393.245 1.264 10 0 GDAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190368567 530928894 /nfs/dbraw/zinc/92/88/94/530928894.db2.gz LIEQCQOGNPNUBE-UHFFFAOYSA-N 0 0 380.495 1.816 10 0 GDAERN Cn1nc(Br)cc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000192193079 530964460 /nfs/dbraw/zinc/96/44/60/530964460.db2.gz BHDKFKLJJSSBKL-UHFFFAOYSA-N 0 0 382.262 1.391 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000190673290 530935432 /nfs/dbraw/zinc/93/54/32/530935432.db2.gz VIGSBDLPBFKFHD-MRVPVSSYSA-N 0 0 388.649 1.778 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000190676011 530935489 /nfs/dbraw/zinc/93/54/89/530935489.db2.gz AGPCVIGTGZHUPX-MRVPVSSYSA-N 0 0 388.649 1.778 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N[C@H]1CCCn2ncnc21 ZINC000120458830 530941090 /nfs/dbraw/zinc/94/10/90/530941090.db2.gz FANGMDVGHKKXCL-JTQLQIEISA-N 0 0 382.193 1.770 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000121188651 530952342 /nfs/dbraw/zinc/95/23/42/530952342.db2.gz UKKBMDHYZDPICB-UHFFFAOYSA-N 0 0 383.495 1.772 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000121269105 530953445 /nfs/dbraw/zinc/95/34/45/530953445.db2.gz MCLSIZZILMJDSO-NSHDSACASA-N 0 0 386.221 1.654 10 0 GDAERN C[C@]1(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1(Cl)Cl ZINC000122581930 530973667 /nfs/dbraw/zinc/97/36/67/530973667.db2.gz XHRCCWIMGJAGJU-MRXNPFEDSA-N 0 0 390.311 1.533 10 0 GDAERN CCN1CCO[C@@H](CNS(=O)(=O)c2cc(Br)sc2C)C1 ZINC000123027285 530978349 /nfs/dbraw/zinc/97/83/49/530978349.db2.gz JYXKFRNSIIQYMI-JTQLQIEISA-N 0 0 383.333 1.818 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000123159327 530980362 /nfs/dbraw/zinc/98/03/62/530980362.db2.gz QJYVFNFNOXHYKF-NSHDSACASA-N 0 0 390.184 1.403 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124323446 530994446 /nfs/dbraw/zinc/99/44/46/530994446.db2.gz VGEGWIYMFJPMHX-GFCCVEGCSA-N 0 0 382.511 1.555 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(Br)cc1 ZINC000123672031 530986590 /nfs/dbraw/zinc/98/65/90/530986590.db2.gz JETRQOQYIJPBEV-CYBMUJFWSA-N 0 0 375.288 1.591 10 0 GDAERN CC[C@@](O)(CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccc(Br)cc1 ZINC000193540165 530989192 /nfs/dbraw/zinc/98/91/92/530989192.db2.gz IIMHOFONUVFCLY-BFYDXBDKSA-N 0 0 399.285 1.145 10 0 GDAERN O=C(c1csc(C(F)(F)F)n1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000193591616 530989452 /nfs/dbraw/zinc/98/94/52/530989452.db2.gz ASONFPIFEVNPDT-VIFPVBQESA-N 0 0 383.417 1.802 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(I)ccc2O)C1 ZINC000193576681 530989703 /nfs/dbraw/zinc/98/97/03/530989703.db2.gz ROILCBCJDQOFLQ-NSHDSACASA-N 0 0 388.205 1.738 10 0 GDAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(Br)c(C)[nH]c3=O)CCO2)c1 ZINC000127061897 531025814 /nfs/dbraw/zinc/02/58/14/531025814.db2.gz DIFSSHFUYQSCQW-GFCCVEGCSA-N 0 0 395.257 1.904 10 0 GDAERN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000229045346 531033389 /nfs/dbraw/zinc/03/33/89/531033389.db2.gz RDRDCWMRUBDIFR-XEZPLFJOSA-N 0 0 377.528 1.221 10 0 GDAERN O=C(c1ccncc1I)N1CCC[C@H](Cn2cncn2)C1 ZINC000130651209 531063154 /nfs/dbraw/zinc/06/31/54/531063154.db2.gz HMMGDSWUSWCNRA-NSHDSACASA-N 0 0 397.220 1.830 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000246210021 531065221 /nfs/dbraw/zinc/06/52/21/531065221.db2.gz RNONTUJTCJUCJX-NWDGAFQWSA-N 0 0 387.893 1.250 10 0 GDAERN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CNC(=O)C1 ZINC000246514852 531067575 /nfs/dbraw/zinc/06/75/75/531067575.db2.gz KAKFRVSVYYZRJF-WPRPVWTQSA-N 0 0 376.766 1.585 10 0 GDAERN CO[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@H]1OC ZINC000234772095 531036771 /nfs/dbraw/zinc/03/67/71/531036771.db2.gz BBMYKLLHWCWNIH-VXGBXAGGSA-N 0 0 377.178 1.483 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000129468522 531051771 /nfs/dbraw/zinc/05/17/71/531051771.db2.gz JNPPZNCCUWTJHX-JTQLQIEISA-N 0 0 392.268 1.940 10 0 GDAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000129582492 531052630 /nfs/dbraw/zinc/05/26/30/531052630.db2.gz FYEWSYRETGGPMA-CYBMUJFWSA-N 0 0 384.841 1.767 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000245532950 531057406 /nfs/dbraw/zinc/05/74/06/531057406.db2.gz IPROAFABAWHDNU-CZUORRHYSA-N 0 0 387.571 1.965 10 0 GDAERN O=S1(=O)CC[C@H](N(Cc2nc(-c3ccsc3)no2)C[C@@H]2CCCO2)C1 ZINC000245535292 531058093 /nfs/dbraw/zinc/05/80/93/531058093.db2.gz WLJJNAKIIOZSRA-KBPBESRZSA-N 0 0 383.495 1.966 10 0 GDAERN CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000248230582 531077337 /nfs/dbraw/zinc/07/73/37/531077337.db2.gz BKWSFZQYQNKBSF-ZIAGYGMSSA-N 0 0 384.523 1.636 10 0 GDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000132340742 531079650 /nfs/dbraw/zinc/07/96/50/531079650.db2.gz CABFKQCOOOJCDG-LRDDRELGSA-N 0 0 386.901 1.884 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C ZINC000248664163 531080941 /nfs/dbraw/zinc/08/09/41/531080941.db2.gz KPSIESFVXZFNAG-ZJUUUORDSA-N 0 0 392.258 1.985 10 0 GDAERN CS(=O)(=O)N1CCCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000248782441 531082042 /nfs/dbraw/zinc/08/20/42/531082042.db2.gz VOHSOMYMZUOUCI-HNNXBMFYSA-N 0 0 389.880 1.552 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000249170655 531084596 /nfs/dbraw/zinc/08/45/96/531084596.db2.gz LEHNTXBKLGXKKU-STQMWFEESA-N 0 0 391.331 1.833 10 0 GDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@]12CCOC2=O ZINC000249201749 531085489 /nfs/dbraw/zinc/08/54/89/531085489.db2.gz DMMATBVMCLVCCM-OAHLLOKOSA-N 0 0 376.837 1.937 10 0 GDAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)ccc1F ZINC000249789744 531089585 /nfs/dbraw/zinc/08/95/85/531089585.db2.gz UFMXMTRZIUWBJF-LBPRGKRZSA-N 0 0 376.475 1.088 10 0 GDAERN CNc1cc(N2CCC[C@H]2CNc2cnn(C)c(=O)c2Br)ncn1 ZINC000261428202 531092686 /nfs/dbraw/zinc/09/26/86/531092686.db2.gz BYZPHAMNOHUNOM-JTQLQIEISA-N 0 0 394.277 1.455 10 0 GDAERN Cc1noc([C@@H](C)N2CCN(c3cnn(C)c(=O)c3Br)CC2)n1 ZINC000261456516 531093573 /nfs/dbraw/zinc/09/35/73/531093573.db2.gz KMDHWGGFLUHHPI-SECBINFHSA-N 0 0 383.250 1.117 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccc1F ZINC000134704695 531103336 /nfs/dbraw/zinc/10/33/36/531103336.db2.gz KFVUHSHPDCLLPU-CQSZACIVSA-N 0 0 376.475 1.323 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1Br ZINC000247125319 531072759 /nfs/dbraw/zinc/07/27/59/531072759.db2.gz RZPWVNZSNHCGRZ-OLZOCXBDSA-N 0 0 398.301 1.610 10 0 GDAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(I)c[nH]1 ZINC000135282583 531107838 /nfs/dbraw/zinc/10/78/38/531107838.db2.gz UJBFHQVONSGRIM-LLVKDONJSA-N 0 0 397.220 1.808 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccncc1I ZINC000135344368 531107914 /nfs/dbraw/zinc/10/79/14/531107914.db2.gz SNPOQSXNNJGNND-NSHDSACASA-N 0 0 383.193 1.851 10 0 GDAERN C[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)c1nnc2n1CCCC2 ZINC000135369212 531108342 /nfs/dbraw/zinc/10/83/42/531108342.db2.gz ISQSPSLFBFVGSO-MRVPVSSYSA-N 0 0 391.233 1.306 10 0 GDAERN C[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)N1CCOCC1 ZINC000136811769 531116220 /nfs/dbraw/zinc/11/62/20/531116220.db2.gz AEJJDMBJYGZMQF-WFASDCNBSA-N 0 0 386.290 1.502 10 0 GDAERN O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000141497969 531122112 /nfs/dbraw/zinc/12/21/12/531122112.db2.gz BIARSXXBAVFUFL-QWHCGFSZSA-N 0 0 380.246 1.388 10 0 GDAERN Cn1cc(S(=O)(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1C(N)=O ZINC000153025520 531160988 /nfs/dbraw/zinc/16/09/88/531160988.db2.gz MECPXOKZMMKMNY-CYBMUJFWSA-N 0 0 383.857 1.619 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000155562248 531201576 /nfs/dbraw/zinc/20/15/76/531201576.db2.gz IOLTWVOYAMVBGX-VIFPVBQESA-N 0 0 382.218 1.644 10 0 GDAERN Cn1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc(Br)c1=O ZINC000156278163 531204695 /nfs/dbraw/zinc/20/46/95/531204695.db2.gz CBFQSKKQWQSFBY-GFCCVEGCSA-N 0 0 385.262 1.086 10 0 GDAERN O=C(NC1(c2cccc(Br)c2)CCC1)C1CC2(C1)NC(=O)NC2=O ZINC000156389659 531204897 /nfs/dbraw/zinc/20/48/97/531204897.db2.gz NNZJJDKNWRXGDR-UHFFFAOYSA-N 0 0 392.253 1.933 10 0 GDAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000407959922 531208464 /nfs/dbraw/zinc/20/84/64/531208464.db2.gz XNLOTHFFZCWFRX-UHFFFAOYSA-N 0 0 383.214 1.626 10 0 GDAERN CS(=O)(=O)c1ccc2c(c1)CCN(S(=O)(=O)C[C@H]1CCCCO1)CC2 ZINC000407982050 531209430 /nfs/dbraw/zinc/20/94/30/531209430.db2.gz FYEMBUSLULVMFK-MRXNPFEDSA-N 0 0 387.523 1.390 10 0 GDAERN O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CCO[C@@H](CO)C1 ZINC000408057922 531215148 /nfs/dbraw/zinc/21/51/48/531215148.db2.gz BPBVEWBKWWPAFS-MRVPVSSYSA-N 0 0 388.642 1.623 10 0 GDAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000408029414 531213412 /nfs/dbraw/zinc/21/34/12/531213412.db2.gz BSKATKZAQOVREO-MRXNPFEDSA-N 0 0 390.864 1.617 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@@H]3C)C2)s1 ZINC000408111759 531219828 /nfs/dbraw/zinc/21/98/28/531219828.db2.gz DWYXWZYVYIZBNI-ZFWWWQNUSA-N 0 0 385.555 1.620 10 0 GDAERN CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408235691 531227373 /nfs/dbraw/zinc/22/73/73/531227373.db2.gz LEDNCNIHYMNCSZ-KFWWJZLASA-N 0 0 375.535 1.213 10 0 GDAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000408213128 531226720 /nfs/dbraw/zinc/22/67/20/531226720.db2.gz DDJWDSRRDUFMNC-JTQLQIEISA-N 0 0 379.276 1.967 10 0 GDAERN CN1CCO[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000408289475 531230761 /nfs/dbraw/zinc/23/07/61/531230761.db2.gz GFHPZUBSNQSGNH-CVEARBPZSA-N 0 0 391.269 1.790 10 0 GDAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc3c(c(Br)c2)OCO3)n1 ZINC000408385007 531237286 /nfs/dbraw/zinc/23/72/86/531237286.db2.gz HXSZJCJDZUZVDI-GXSJLCMTSA-N 0 0 396.197 1.817 10 0 GDAERN O=C(Nc1ccc(I)cc1Cl)N1C[C@@H](O)[C@H](O)C1 ZINC000408400541 531238028 /nfs/dbraw/zinc/23/80/28/531238028.db2.gz UDZKHOKLRWDEKW-NXEZZACHSA-N 0 0 382.585 1.514 10 0 GDAERN O=S(=O)(c1cc(Br)sc1Cl)N1CCO[C@H](CO)C1 ZINC000408435723 531241531 /nfs/dbraw/zinc/24/15/31/531241531.db2.gz ZRGQHMCWLIKGKS-LURJTMIESA-N 0 0 376.681 1.546 10 0 GDAERN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000269709128 531720321 /nfs/dbraw/zinc/72/03/21/531720321.db2.gz BFRSFFVQVVWODX-VXGBXAGGSA-N 0 0 394.490 1.774 10 0 GDAERN Cn1ncc(NCC(=O)N2CCc3sccc3C2)c(Br)c1=O ZINC000301272666 532030968 /nfs/dbraw/zinc/03/09/68/532030968.db2.gz YHHZSSMWRPJLBQ-UHFFFAOYSA-N 0 0 383.271 1.601 10 0 GDAERN Cn1ncc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)c(Br)c1=O ZINC000301470859 532035213 /nfs/dbraw/zinc/03/52/13/532035213.db2.gz PAPWPAMCYQQDOY-QMMMGPOBSA-N 0 0 397.195 1.438 10 0 GDAERN Cc1noc([C@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCN2C)n1 ZINC000285184129 532043496 /nfs/dbraw/zinc/04/34/96/532043496.db2.gz UVTKDSUTSRHXPW-GFCCVEGCSA-N 0 0 376.360 1.473 10 0 GDAERN COc1cc(Cl)c(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc1OC ZINC000285200452 532047625 /nfs/dbraw/zinc/04/76/25/532047625.db2.gz VUTIPSBDUXUJLT-OLZOCXBDSA-N 0 0 390.889 1.451 10 0 GDAERN CS(=O)(=O)N1CCO[C@@H](c2nnc(CCc3ccc(Cl)s3)o2)C1 ZINC000328648866 532089531 /nfs/dbraw/zinc/08/95/31/532089531.db2.gz UTUKGOFYJVQWPI-SNVBAGLBSA-N 0 0 377.875 1.903 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000373694258 532093842 /nfs/dbraw/zinc/09/38/42/532093842.db2.gz FJMPPKPYYVTKFQ-BXUZGUMPSA-N 0 0 381.885 1.592 10 0 GDAERN C[C@H]1CC(=O)CC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000329179177 532098329 /nfs/dbraw/zinc/09/83/29/532098329.db2.gz CYBKBCJRQRDJIT-WKSBVSIWSA-N 0 0 384.420 1.272 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cncc(Br)c1)CC2 ZINC000329477018 532104995 /nfs/dbraw/zinc/10/49/95/532104995.db2.gz UJDWGESNWOUKQC-JTQLQIEISA-N 0 0 386.275 1.291 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3ccccc3I)CC[C@@H]21 ZINC000286035762 532128514 /nfs/dbraw/zinc/12/85/14/532128514.db2.gz AYFDIPRCNGYTLT-OLZOCXBDSA-N 0 0 399.232 1.458 10 0 GDAERN CC(C)(C)c1nnc(CNC(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000332856125 532212403 /nfs/dbraw/zinc/21/24/03/532212403.db2.gz ZMZWGGJWKNCASI-WDEREUQCSA-N 0 0 389.547 1.495 10 0 GDAERN C[C@H]1CN(C(=O)N2CCS(=O)(=O)CC2)c2cc(Br)ccc2O1 ZINC000333060004 532217588 /nfs/dbraw/zinc/21/75/88/532217588.db2.gz SDRAKBVDYWIDJL-JTQLQIEISA-N 0 0 389.271 1.887 10 0 GDAERN O=C(Nc1cnc(N2CCOCC2)c(Br)c1)N[C@@H]1CCCNC1=O ZINC000333128273 532221004 /nfs/dbraw/zinc/22/10/04/532221004.db2.gz DHNXYYHXIBNFMB-GFCCVEGCSA-N 0 0 398.261 1.081 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000333140186 532221914 /nfs/dbraw/zinc/22/19/14/532221914.db2.gz KDXWJAIKJHQJLF-CABCVRRESA-N 0 0 390.571 1.752 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)N(S(C)(=O)=O)C1 ZINC000333175890 532223738 /nfs/dbraw/zinc/22/37/38/532223738.db2.gz LKSNBVZUZPSDHE-UKTARXLSSA-N 0 0 384.523 1.951 10 0 GDAERN O=C(c1sccc1S(=O)(=O)N1CCCC1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333227911 532226187 /nfs/dbraw/zinc/22/61/87/532226187.db2.gz BGXVQTMMXIMVAY-MELADBBJSA-N 0 0 384.523 1.766 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000333680975 532245050 /nfs/dbraw/zinc/24/50/50/532245050.db2.gz PKZQQGQCEVPHRL-ABAIWWIYSA-N 0 0 396.245 1.951 10 0 GDAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000333713256 532247061 /nfs/dbraw/zinc/24/70/61/532247061.db2.gz GSIYQGAYZUVJOP-XQQFMLRXSA-N 0 0 378.226 1.350 10 0 GDAERN CN(C)S(=O)(=O)[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@H]1C(F)(F)F ZINC000289774800 532332107 /nfs/dbraw/zinc/33/21/07/532332107.db2.gz RLCGKUWJXUSNLV-TZMCWYRMSA-N 0 0 376.404 1.817 10 0 GDAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)n1 ZINC000328616674 206233582 /nfs/dbraw/zinc/23/35/82/206233582.db2.gz CADQUIOMNISCTB-FDLBOYPASA-N 0 0 399.856 1.851 10 0 GDAERN COC(=O)[C@@H](CCSC)NC(=O)[C@H]1CC(Cc2cccc(OC)c2)=NO1 ZINC000011813001 206834339 /nfs/dbraw/zinc/83/43/39/206834339.db2.gz AFIOCNMBJVFFIW-HZPDHXFCSA-N 0 0 380.466 1.794 10 0 GDAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000012199659 206867967 /nfs/dbraw/zinc/86/79/67/206867967.db2.gz QIFNFFHYYHWKQI-ZDUSSCGKSA-N 0 0 394.449 1.304 10 0 GDAERN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)CO ZINC000015064406 207043250 /nfs/dbraw/zinc/04/32/50/207043250.db2.gz VUULHKRYPPWQCT-JKNJVXJCSA-N 0 0 389.496 1.034 10 0 GDAERN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOCC2)nc1 ZINC000020376628 207190425 /nfs/dbraw/zinc/19/04/25/207190425.db2.gz OWRZZHYRTCNHOA-UHFFFAOYSA-N 0 0 380.404 1.543 10 0 GDAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCc1cccnc1 ZINC000095510968 208214627 /nfs/dbraw/zinc/21/46/27/208214627.db2.gz WUAQARVMIPKNPX-GOSISDBHSA-N 0 0 388.418 1.409 10 0 GDAERN COCC[N@@H+]1C[C@@H]2CN(Cc3ccc4cccc(OC)c4n3)C[C@]2(C(=O)[O-])C1 ZINC000096151352 208275545 /nfs/dbraw/zinc/27/55/45/208275545.db2.gz WQQYGFPVIOTWNY-IIBYNOLFSA-N 0 0 385.464 1.708 10 0 GDAERN COCCNC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2ccccc2F)c1=O ZINC000096318195 208307286 /nfs/dbraw/zinc/30/72/86/208307286.db2.gz BFCLTXDEHLIWJJ-UHFFFAOYSA-N 0 0 385.395 1.363 10 0 GDAERN CC(C)NC(=O)c1cn([C@H]2CC[C@@H](NS(=O)(=O)c3cccs3)CC2)nn1 ZINC000299786178 209087760 /nfs/dbraw/zinc/08/77/60/209087760.db2.gz WEVHDORIBGHXAH-BETUJISGSA-N 0 0 397.526 1.940 10 0 GDAERN CC(C)c1nnc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCO4)CCO2)o1 ZINC000275273785 519892219 /nfs/dbraw/zinc/89/22/19/519892219.db2.gz JPADSLYKJAEMMT-CQSZACIVSA-N 0 0 381.410 1.684 10 0 GDAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@](O)(c3nc(C(C)C)no3)C2)c1 ZINC000328612354 570554862 /nfs/dbraw/zinc/55/48/62/570554862.db2.gz OMHGZRYWRSDXJC-INIZCTEOSA-N 0 0 383.474 1.328 10 0 GDAERN CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)Cc3noc4ccccc43)C2)n1 ZINC000328612243 570557689 /nfs/dbraw/zinc/55/76/89/570557689.db2.gz OCRRFOOUPNRIEL-QGZVFWFLSA-N 0 0 392.437 1.758 10 0 GDAERN CCc1noc2ncc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)cc12 ZINC000189196810 570747208 /nfs/dbraw/zinc/74/72/08/570747208.db2.gz MPMXLRILNSPEQK-LSDHHAIUSA-N 0 0 377.426 1.327 10 0 GDAERN CC1=NS(=O)(=O)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2N1 ZINC000067245947 644553147 /nfs/dbraw/zinc/55/31/47/644553147.db2.gz MHUGLGXBSXAMJT-UHFFFAOYSA-N 0 0 383.426 1.837 10 0 GDAERN Cc1nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(=S)n1CCc1cccs1 ZINC000120204307 644668121 /nfs/dbraw/zinc/66/81/21/644668121.db2.gz CEUSWQJSXFCGLS-BXUZGUMPSA-N 0 0 381.527 1.559 10 0 GDAERN COc1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1Br ZINC000126816662 644723318 /nfs/dbraw/zinc/72/33/18/644723318.db2.gz QIVVWYNZRBMWAW-JTQLQIEISA-N 0 0 377.260 1.173 10 0 GDAERN O=S(=O)(/C=C/c1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000157292500 644828559 /nfs/dbraw/zinc/82/85/59/644828559.db2.gz HBVOPNRZUARAGB-DHZHZOJOSA-N 0 0 398.428 1.891 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000186722623 644995358 /nfs/dbraw/zinc/99/53/58/644995358.db2.gz MRPUFVCCCQWDAH-GFCCVEGCSA-N 0 0 384.420 1.561 10 0 GDAERN COC(=O)c1cn(CC(=O)Nc2ccccc2I)nn1 ZINC000219442968 645072480 /nfs/dbraw/zinc/07/24/80/645072480.db2.gz CGXGTLBMLHMLGS-UHFFFAOYSA-N 0 0 386.149 1.308 10 0 GDAERN C[C@H](C(=O)NCCCc1nnc2ccccn21)n1cc(Br)cn1 ZINC000222439654 645073524 /nfs/dbraw/zinc/07/35/24/645073524.db2.gz OHYHDQABHYIVCY-LLVKDONJSA-N 0 0 377.246 1.998 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCC[C@H]2Cn2ccnn2)sc1Br ZINC000328916573 645288390 /nfs/dbraw/zinc/28/83/90/645288390.db2.gz KHEGLAWHANYMSA-VIFPVBQESA-N 0 0 392.304 1.659 10 0 GDAERN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000329449017 645313632 /nfs/dbraw/zinc/31/36/32/645313632.db2.gz CEULIMJMWNSXKI-MNOVXSKESA-N 0 0 380.798 1.795 10 0 GDAERN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000329449019 645313717 /nfs/dbraw/zinc/31/37/17/645313717.db2.gz CEULIMJMWNSXKI-QWRGUYRKSA-N 0 0 380.798 1.795 10 0 GDAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)n1 ZINC000329681254 645320701 /nfs/dbraw/zinc/32/07/01/645320701.db2.gz WUIHUZLLKOOHMW-GFCCVEGCSA-N 0 0 378.541 1.538 10 0 GDAERN O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)C1 ZINC000329713215 645324340 /nfs/dbraw/zinc/32/43/40/645324340.db2.gz RFEZYNYHKBYMJL-BBRMVZONSA-N 0 0 386.901 1.635 10 0 GDAERN O=c1[nH]c2cc(Br)c(S(=O)(=O)N3C[C@@H](F)C[C@@H]3CO)cc2[nH]1 ZINC000444275602 647248072 /nfs/dbraw/zinc/24/80/72/647248072.db2.gz DHEAIKJGBXLFFM-NKWVEPMBSA-N 0 0 394.222 1.124 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000892354858 658320979 /nfs/dbraw/zinc/32/09/79/658320979.db2.gz JTHGHSNPCRXKNC-WDEREUQCSA-N 0 0 387.278 1.307 10 0 GDAERN COC[C@@]1(C(=O)[O-])CN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000711512978 955041985 /nfs/dbraw/zinc/04/19/85/955041985.db2.gz IHQJZGYMDAGHSA-HNAYVOBHSA-N 0 0 379.457 1.019 10 0 GDAERN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000716178850 955127685 /nfs/dbraw/zinc/12/76/85/955127685.db2.gz QJBBHUKTKIIVNK-XIRDDKMYSA-N 0 0 381.498 1.280 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000704193607 977223476 /nfs/dbraw/zinc/22/34/76/977223476.db2.gz OUACKXBVWWRULZ-FXAWDEMLSA-N 0 0 375.469 1.784 10 0 GDAERN O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000705975240 977304363 /nfs/dbraw/zinc/30/43/63/977304363.db2.gz LEFHGKYIUNVDQC-HDICACEKSA-N 0 0 393.509 1.092 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000161873500 530564306 /nfs/dbraw/zinc/56/43/06/530564306.db2.gz QETRMSCEDQAXPI-STQMWFEESA-N 0 0 376.837 1.910 10 0 GDAERN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CCCO1 ZINC000027861998 530589871 /nfs/dbraw/zinc/58/98/71/530589871.db2.gz HNNAHGPWLOPJMS-UFBFGSQYSA-N 0 0 377.260 1.394 10 0 GDAERN CN1CCO[C@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000171581578 530600674 /nfs/dbraw/zinc/60/06/74/530600674.db2.gz WJDOQGZGTJHTIV-LLVKDONJSA-N 0 0 375.256 1.562 10 0 GDAERN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC[C@H](c2nccs2)C1 ZINC000171644328 530601425 /nfs/dbraw/zinc/60/14/25/530601425.db2.gz CHLAZNYTCADABC-LBPRGKRZSA-N 0 0 378.479 1.347 10 0 GDAERN C[C@H]1C(=O)NCCN1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171721151 530602060 /nfs/dbraw/zinc/60/20/60/530602060.db2.gz YRABJELMQPBJHE-QWHCGFSZSA-N 0 0 395.301 1.805 10 0 GDAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000170683689 530587651 /nfs/dbraw/zinc/58/76/51/530587651.db2.gz LJRSYKDSKAIGPU-OLZOCXBDSA-N 0 0 386.279 1.793 10 0 GDAERN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)ccc1Br ZINC000041600819 530622834 /nfs/dbraw/zinc/62/28/34/530622834.db2.gz SCGWYKPOGBCYBB-GFCCVEGCSA-N 0 0 384.274 1.533 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3[nH]nc(C(C)C)c3Br)CCO2)[nH]1 ZINC000173086004 530622900 /nfs/dbraw/zinc/62/29/00/530622900.db2.gz CWVNQVVQOBAUAB-SECBINFHSA-N 0 0 383.250 1.936 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000173350858 530628542 /nfs/dbraw/zinc/62/85/42/530628542.db2.gz GGMLMSKFAIIGJM-CQSZACIVSA-N 0 0 396.285 1.629 10 0 GDAERN O=C(Nc1ccccc1Br)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173351064 530628812 /nfs/dbraw/zinc/62/88/12/530628812.db2.gz GMENHXZXFNGTBD-GFCCVEGCSA-N 0 0 382.258 1.321 10 0 GDAERN O=Cc1ccc(OCC(=O)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000174012844 530641269 /nfs/dbraw/zinc/64/12/69/530641269.db2.gz AXRMQJOYFAATKX-CQSZACIVSA-N 0 0 397.269 1.574 10 0 GDAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749236 530617913 /nfs/dbraw/zinc/61/79/13/530617913.db2.gz RAAFQGXOQCQEMT-GFCCVEGCSA-N 0 0 379.258 1.872 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000176283754 530680987 /nfs/dbraw/zinc/68/09/87/530680987.db2.gz YRJRVQGVHFGFPW-SECBINFHSA-N 0 0 389.890 1.231 10 0 GDAERN O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1csc(-c2ccsc2)n1 ZINC000174463746 530648547 /nfs/dbraw/zinc/64/85/47/530648547.db2.gz HBXQAPDLDWUBON-HWPZZCPQSA-N 0 0 376.463 1.980 10 0 GDAERN C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)s1 ZINC000047525421 530660670 /nfs/dbraw/zinc/66/06/70/530660670.db2.gz IBBILDVXSRUWPM-HBNTYKKESA-N 0 0 390.914 1.614 10 0 GDAERN O=C(NCc1cscn1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000050406605 530675998 /nfs/dbraw/zinc/67/59/98/530675998.db2.gz YFFQLWVGNCUWDF-ZDUSSCGKSA-N 0 0 376.463 1.373 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CCS1 ZINC000176075263 530676134 /nfs/dbraw/zinc/67/61/34/530676134.db2.gz URLNAXIJVSQOMP-NSHDSACASA-N 0 0 379.873 1.882 10 0 GDAERN O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCCC[C@@H]1c1nccs1 ZINC000176222108 530679005 /nfs/dbraw/zinc/67/90/05/530679005.db2.gz PCZJNUFLEAUJAH-TZMCWYRMSA-N 0 0 378.479 1.927 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3cccnc3Br)CC2)no1 ZINC000176590531 530686932 /nfs/dbraw/zinc/68/69/32/530686932.db2.gz JFWULDRTZVSTLK-UHFFFAOYSA-N 0 0 380.246 1.884 10 0 GDAERN O=C1CN(C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCC[C@@H]2N1 ZINC000177050660 530696004 /nfs/dbraw/zinc/69/60/04/530696004.db2.gz KSJFVIVKYVJPDT-BPUTZDHNSA-N 0 0 383.286 1.932 10 0 GDAERN C[C@@H](NC(=O)NCCc1ccc(Cl)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000177865334 530712482 /nfs/dbraw/zinc/71/24/82/530712482.db2.gz OCTQQPHPBAVRDO-LLVKDONJSA-N 0 0 382.873 1.985 10 0 GDAERN O=C(/C=C/c1ccc(I)o1)NC[C@@H]1CN2CCN1CC2 ZINC000178653481 530724764 /nfs/dbraw/zinc/72/47/64/530724764.db2.gz HTAPUBMFPBRYBC-JRBALWBOSA-N 0 0 387.221 1.013 10 0 GDAERN CCS(=O)(=O)NCC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179957386 530754432 /nfs/dbraw/zinc/75/44/32/530754432.db2.gz RNYCNZZYEOEOFA-CHWSQXEVSA-N 0 0 380.388 1.279 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000180219282 530760725 /nfs/dbraw/zinc/76/07/25/530760725.db2.gz CBCVGUILOMUUSE-SNVBAGLBSA-N 0 0 377.622 1.194 10 0 GDAERN Cc1c(Br)c2ccccc2n1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000180275802 530762449 /nfs/dbraw/zinc/76/24/49/530762449.db2.gz XWNOBAXYKKIRDX-CYBMUJFWSA-N 0 0 380.242 1.425 10 0 GDAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H](Cn2cncn2)C1 ZINC000180979718 530775930 /nfs/dbraw/zinc/77/59/30/530775930.db2.gz FXXBDNHVCDTIEG-LLVKDONJSA-N 0 0 380.861 1.909 10 0 GDAERN CC[C@@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2)c1ccccn1 ZINC000067676731 530778034 /nfs/dbraw/zinc/77/80/34/530778034.db2.gz RTRYOCWGBCFRMG-LLVKDONJSA-N 0 0 381.479 1.917 10 0 GDAERN COc1ccc(Br)c(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 ZINC000181337669 530781512 /nfs/dbraw/zinc/78/15/12/530781512.db2.gz MEUFSXKOHYOOFE-HNNXBMFYSA-N 0 0 379.258 1.978 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cncc(I)c2)cn1 ZINC000181443635 530783649 /nfs/dbraw/zinc/78/36/49/530783649.db2.gz MTWOVBWACOCNPM-ZDUSSCGKSA-N 0 0 397.220 1.206 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000180452248 530766575 /nfs/dbraw/zinc/76/65/75/530766575.db2.gz LBJSIUDTIDXSET-ZDUSSCGKSA-N 0 0 392.930 1.837 10 0 GDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 ZINC000181689831 530789360 /nfs/dbraw/zinc/78/93/60/530789360.db2.gz MZZDLGDZPMZBCY-HNNXBMFYSA-N 0 0 382.873 1.611 10 0 GDAERN CN(C[C@@H]1CCCO1)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000102904530 530830836 /nfs/dbraw/zinc/83/08/36/530830836.db2.gz XUVXWGOMEISUNN-AWEZNQCLSA-N 0 0 384.274 1.999 10 0 GDAERN Cn1nccc1C1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000184805441 530831984 /nfs/dbraw/zinc/83/19/84/530831984.db2.gz VMJDZDXMGSWCTA-UHFFFAOYSA-N 0 0 377.392 1.747 10 0 GDAERN O=S1(=O)CCN(CCCOc2cccc(I)c2)CC1 ZINC000103266356 530834336 /nfs/dbraw/zinc/83/43/36/530834336.db2.gz RLPQPCWWNJDVRK-UHFFFAOYSA-N 0 0 395.262 1.791 10 0 GDAERN COc1cc(Br)c(S(=O)(=O)NCC2CC(O)C2)cc1OC ZINC000091524517 530809702 /nfs/dbraw/zinc/80/97/02/530809702.db2.gz MVSWNVGXMDCUNC-UHFFFAOYSA-N 0 0 380.260 1.516 10 0 GDAERN Cc1[nH]cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c(=O)c1Br ZINC000183217276 530811959 /nfs/dbraw/zinc/81/19/59/530811959.db2.gz SNMRDVOZHNSYHM-GFCCVEGCSA-N 0 0 384.274 1.652 10 0 GDAERN CCOCCOc1ccc(Br)cc1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884484 530813624 /nfs/dbraw/zinc/81/36/24/530813624.db2.gz NDZGZLLRSVQAPV-UKRRQHHQSA-N 0 0 385.258 1.694 10 0 GDAERN COc1cc([C@H]2NC(=O)[C@H]3COCCN32)cc(Br)c1OC(F)F ZINC000093885285 530813929 /nfs/dbraw/zinc/81/39/29/530813929.db2.gz SFCCCOBXOUMNQA-SKDRFNHKSA-N 0 0 393.184 1.888 10 0 GDAERN COC(=O)c1ccc(S(=O)(=O)NCCc2c(C)nn(C)c2C)c(Cl)c1 ZINC000101571315 530824820 /nfs/dbraw/zinc/82/48/20/530824820.db2.gz DKLRBWCWRWWSDJ-UHFFFAOYSA-N 0 0 385.873 1.998 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000106656488 530849485 /nfs/dbraw/zinc/84/94/85/530849485.db2.gz BLIPOLAYPNWGMX-AWEZNQCLSA-N 0 0 376.425 1.664 10 0 GDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(Br)cc2c1OCC2 ZINC000185992620 530849769 /nfs/dbraw/zinc/84/97/69/530849769.db2.gz NDGIWXYGVZMGAL-NSHDSACASA-N 0 0 399.270 1.269 10 0 GDAERN Cc1cnn(CCNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000187243625 530869631 /nfs/dbraw/zinc/86/96/31/530869631.db2.gz JUJKORUNMXLNNE-UHFFFAOYSA-N 0 0 397.400 1.464 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)s1 ZINC000110942802 530871179 /nfs/dbraw/zinc/87/11/79/530871179.db2.gz UUFJMFWBKGTKHO-PBHICJAKSA-N 0 0 380.539 1.550 10 0 GDAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000185141207 530837317 /nfs/dbraw/zinc/83/73/17/530837317.db2.gz KKIQOSNCTADHBS-NXEZZACHSA-N 0 0 397.191 1.834 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2ccc(Br)cc2OC(C)C)C1 ZINC000185301632 530839966 /nfs/dbraw/zinc/83/99/66/530839966.db2.gz QJAQXJRNPCNXKF-UHFFFAOYSA-N 0 0 385.258 1.823 10 0 GDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 ZINC000185300023 530840271 /nfs/dbraw/zinc/84/02/71/530840271.db2.gz ZPVIMWADOJVNMC-NSHDSACASA-N 0 0 385.258 1.498 10 0 GDAERN O=C(c1ccccc1I)N1CC[C@H](N2CCOCC2)C1 ZINC000105569803 530842857 /nfs/dbraw/zinc/84/28/57/530842857.db2.gz LVBXZAVKUJLXLX-LBPRGKRZSA-N 0 0 386.233 1.838 10 0 GDAERN O=C(c1cccc(I)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000105569808 530843159 /nfs/dbraw/zinc/84/31/59/530843159.db2.gz LZMUHHJYYWZIOO-CQSZACIVSA-N 0 0 386.233 1.838 10 0 GDAERN CN(C)C(=O)CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570113 530843202 /nfs/dbraw/zinc/84/32/02/530843202.db2.gz LHQGOUQQAAVBLJ-UHFFFAOYSA-N 0 0 381.234 1.122 10 0 GDAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCCN(c2cccnn2)CC1 ZINC000106068852 530845802 /nfs/dbraw/zinc/84/58/02/530845802.db2.gz QNCGTXWJDBDYNB-INIZCTEOSA-N 0 0 390.285 1.978 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C2)cn1 ZINC000116116999 530903368 /nfs/dbraw/zinc/90/33/68/530903368.db2.gz PRNZHGGVHBFILA-VIFPVBQESA-N 0 0 376.218 1.250 10 0 GDAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000116551926 530905961 /nfs/dbraw/zinc/90/59/61/530905961.db2.gz BPBOGVIRJDRYJI-ZDUSSCGKSA-N 0 0 388.559 1.492 10 0 GDAERN CN(C)c1noc(C2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)n1 ZINC000189054994 530906227 /nfs/dbraw/zinc/90/62/27/530906227.db2.gz HEZYUBVOAWQBNL-UHFFFAOYSA-N 0 0 386.865 1.335 10 0 GDAERN CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000189135523 530908605 /nfs/dbraw/zinc/90/86/05/530908605.db2.gz TWQNVUKBKLSFPP-GFCCVEGCSA-N 0 0 396.962 1.998 10 0 GDAERN CCOCCN1CCN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1C ZINC000117282199 530911743 /nfs/dbraw/zinc/91/17/43/530911743.db2.gz NWRRRTFQCVXSIV-ZDUSSCGKSA-N 0 0 386.290 1.180 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccccc2Br)C[C@@H]1C ZINC000117369430 530911771 /nfs/dbraw/zinc/91/17/71/530911771.db2.gz UQJMUNUHTQUVQU-LBPRGKRZSA-N 0 0 377.304 1.790 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000189234993 530910348 /nfs/dbraw/zinc/91/03/48/530910348.db2.gz QGYCLTCKRIKAST-SNVBAGLBSA-N 0 0 378.230 1.380 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187923803 530880548 /nfs/dbraw/zinc/88/05/48/530880548.db2.gz IESYNPJJICPBAD-UHFFFAOYSA-N 0 0 379.301 1.718 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1)C1CC1 ZINC000187933595 530881114 /nfs/dbraw/zinc/88/11/14/530881114.db2.gz BSDRZIJHQXBBPU-UHFFFAOYSA-N 0 0 380.800 1.841 10 0 GDAERN CCc1csc([C@H]2CCCN(C(=O)C3CCN(S(N)(=O)=O)CC3)C2)n1 ZINC000113203376 530886789 /nfs/dbraw/zinc/88/67/89/530886789.db2.gz SPWABCRJOJTFHL-ZDUSSCGKSA-N 0 0 386.543 1.327 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000188178492 530887685 /nfs/dbraw/zinc/88/76/85/530887685.db2.gz FMOAVWQHOHZRJE-XHDPSFHLSA-N 0 0 398.301 1.954 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000188176057 530888039 /nfs/dbraw/zinc/88/80/39/530888039.db2.gz 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/nfs/dbraw/zinc/91/45/95/530914595.db2.gz HZDLHHVCYHNCJK-JTQLQIEISA-N 0 0 390.665 1.976 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)N2CCc3ccc(Br)cc32)c1 ZINC000118132641 530916860 /nfs/dbraw/zinc/91/68/60/530916860.db2.gz DRTJXFOLPIHWAQ-UHFFFAOYSA-N 0 0 377.242 1.660 10 0 GDAERN CN1CCCN(C(=O)c2cccn3c(I)cnc23)CC1=O ZINC000189803851 530921015 /nfs/dbraw/zinc/92/10/15/530921015.db2.gz FORLSOKHBKRDLG-UHFFFAOYSA-N 0 0 398.204 1.243 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)C1(c2ccccc2Br)CC1 ZINC000190101120 530925179 /nfs/dbraw/zinc/92/51/79/530925179.db2.gz PBZDGBRUDNUSIB-ZDUSSCGKSA-N 0 0 383.286 1.290 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)sc1Br ZINC000122030665 530965654 /nfs/dbraw/zinc/96/56/54/530965654.db2.gz BMTJTJZQOBSTLX-NSHDSACASA-N 0 0 395.344 1.914 10 0 GDAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120112490 530935783 /nfs/dbraw/zinc/93/57/83/530935783.db2.gz HBDRBELIJYSDII-SNVBAGLBSA-N 0 0 380.297 1.972 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1=O ZINC000191037617 530942888 /nfs/dbraw/zinc/94/28/88/530942888.db2.gz SVYBHJQHHNVTIV-UHFFFAOYSA-N 0 0 388.649 1.732 10 0 GDAERN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)C1 ZINC000191055543 530943240 /nfs/dbraw/zinc/94/32/40/530943240.db2.gz MHPGZQZYMJXZNX-AAEUAGOBSA-N 0 0 387.329 1.469 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3cc(Br)ccc3C2)C1 ZINC000192248115 530965362 /nfs/dbraw/zinc/96/53/62/530965362.db2.gz MUKOKKHVPOXIIN-CQSZACIVSA-N 0 0 380.286 1.531 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193030896 530978161 /nfs/dbraw/zinc/97/81/61/530978161.db2.gz NYHKLNNJWZHZQH-NSHDSACASA-N 0 0 383.246 1.218 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)c1 ZINC000122962491 530978222 /nfs/dbraw/zinc/97/82/22/530978222.db2.gz OCXOLAHJSUDVPX-UHFFFAOYSA-N 0 0 387.184 1.987 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3ncccc3Br)CC2)n1 ZINC000193173763 530981251 /nfs/dbraw/zinc/98/12/51/530981251.db2.gz YKXHCOFALRRNAU-UHFFFAOYSA-N 0 0 392.257 1.995 10 0 GDAERN CCCCOC[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000193357906 530984724 /nfs/dbraw/zinc/98/47/24/530984724.db2.gz NCCRDWJTDGNNBB-HNNXBMFYSA-N 0 0 390.933 1.824 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000122411392 530971610 /nfs/dbraw/zinc/97/16/10/530971610.db2.gz QPUJQTYSMGSCBS-NXEZZACHSA-N 0 0 397.360 1.895 10 0 GDAERN Cc1cc(N2CCN(C(=O)C(=O)Nc3ccc(Br)cn3)CC2)n[nH]1 ZINC000193946848 530996506 /nfs/dbraw/zinc/99/65/06/530996506.db2.gz MCAINTVNJPBJEC-UHFFFAOYSA-N 0 0 393.245 1.163 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000193953875 530997016 /nfs/dbraw/zinc/99/70/16/530997016.db2.gz DUHIZPHVKLXQMO-XGVBPZLHSA-N 0 0 387.263 1.392 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000193576455 530989755 /nfs/dbraw/zinc/98/97/55/530989755.db2.gz WNTJJYZNVBOYOV-BDJLRTHQSA-N 0 0 382.258 1.936 10 0 GDAERN CN1CCO[C@H](CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000194750531 531009373 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CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000194120535 531000135 /nfs/dbraw/zinc/00/01/35/531000135.db2.gz XHFFFAYXZLBOOZ-LBPRGKRZSA-N 0 0 399.289 1.006 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)CO1 ZINC000246258257 531065619 /nfs/dbraw/zinc/06/56/19/531065619.db2.gz UBWTZDTWVXYHMX-WDEREUQCSA-N 0 0 386.861 1.834 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131019720 531066524 /nfs/dbraw/zinc/06/65/24/531066524.db2.gz LKQZFFQGIGZGDQ-SVRRBLITSA-N 0 0 383.289 1.082 10 0 GDAERN C[C@H](C[S@](=O)Cc1nc(-c2ccc(F)c(F)c2)no1)CS(C)(=O)=O ZINC000129354064 531050073 /nfs/dbraw/zinc/05/00/73/531050073.db2.gz AKUDSKGAMRHFJT-XQHREBAHSA-N 0 0 378.422 1.944 10 0 GDAERN CCNS(=O)(=O)[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245527288 531057299 /nfs/dbraw/zinc/05/72/99/531057299.db2.gz CRJYZNGBMOXJDK-CJNGLKHVSA-N 0 0 387.933 1.873 10 0 GDAERN C[C@H]1CN(S(=O)(=O)NCCNc2cccc(Br)c2)[C@@H](C)CO1 ZINC000245525726 531057351 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CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000114874820 530897807 /nfs/dbraw/zinc/89/78/07/530897807.db2.gz RLUMSJOBAAOATJ-LLVKDONJSA-N 0 0 385.287 1.896 10 0 GDAERN Cc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1I ZINC000189395154 530911751 /nfs/dbraw/zinc/91/17/51/530911751.db2.gz MDEYLEDXMXWMKI-UHFFFAOYSA-N 0 0 384.217 1.950 10 0 GDAERN COC[C@@H](C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000112184307 530878809 /nfs/dbraw/zinc/87/88/09/530878809.db2.gz OZCYLLPCULPSBP-CYBMUJFWSA-N 0 0 399.285 1.781 10 0 GDAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000112551274 530882756 /nfs/dbraw/zinc/88/27/56/530882756.db2.gz YVHRXTURELCCCJ-SWLSCSKDSA-N 0 0 378.274 1.734 10 0 GDAERN COc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1Br ZINC000113298923 530889047 /nfs/dbraw/zinc/88/90/47/530889047.db2.gz NLHFWQMKKWFQKI-SECBINFHSA-N 0 0 387.259 1.343 10 0 GDAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1Cl ZINC000113298673 530889341 /nfs/dbraw/zinc/88/93/41/530889341.db2.gz RWKVPMYJRGAPRD-VIFPVBQESA-N 0 0 387.824 1.322 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000188429835 530893969 /nfs/dbraw/zinc/89/39/69/530893969.db2.gz WQEYLERFIKTLGQ-LLVKDONJSA-N 0 0 384.274 1.537 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1sccc1S(=O)(=O)C(F)F)CC2 ZINC000114865177 530896686 /nfs/dbraw/zinc/89/66/86/530896686.db2.gz SRPRIEBABQVNCJ-QMMMGPOBSA-N 0 0 390.437 1.643 10 0 GDAERN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000190572452 530933582 /nfs/dbraw/zinc/93/35/82/530933582.db2.gz VITUJTWFIOTPTG-CQSZACIVSA-N 0 0 387.571 1.945 10 0 GDAERN COc1cc(C(=O)N2CC(NC(=O)C3CC3)C2)cc(OC)c1Br ZINC000189469804 530913928 /nfs/dbraw/zinc/91/39/28/530913928.db2.gz MQHAFHJBRQKFFR-UHFFFAOYSA-N 0 0 383.242 1.817 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000118115695 530916347 /nfs/dbraw/zinc/91/63/47/530916347.db2.gz HWOIJBGPIWOEEH-SNVBAGLBSA-N 0 0 379.766 1.744 10 0 GDAERN COc1ccc(Br)c(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000118132697 530917036 /nfs/dbraw/zinc/91/70/36/530917036.db2.gz BDBXUZOKPDBIHE-UHFFFAOYSA-N 0 0 381.230 1.718 10 0 GDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000190089043 530925715 /nfs/dbraw/zinc/92/57/15/530925715.db2.gz ONLDOHATFOINCJ-WCQYABFASA-N 0 0 380.388 1.860 10 0 GDAERN CCc1nc(CNC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cs1 ZINC000190178799 530926786 /nfs/dbraw/zinc/92/67/86/530926786.db2.gz XGHRBKMSBMJXFH-CYBMUJFWSA-N 0 0 383.499 1.120 10 0 GDAERN Cc1[nH]cc(C(=O)NCc2cccnc2-n2cncn2)c(=O)c1Br ZINC000119598697 530928189 /nfs/dbraw/zinc/92/81/89/530928189.db2.gz ZJZDKMLLGOFCJZ-UHFFFAOYSA-N 0 0 389.213 1.764 10 0 GDAERN CCN1CCO[C@@H](CNS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000122048328 530965736 /nfs/dbraw/zinc/96/57/36/530965736.db2.gz WZHJRHOVUBNSIS-JTQLQIEISA-N 0 0 383.333 1.818 10 0 GDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(Br)nn3C)CCO2)n1 ZINC000192093854 530961098 /nfs/dbraw/zinc/96/10/98/530961098.db2.gz SKXBUEWLAHIMDC-GFCCVEGCSA-N 0 0 382.262 1.537 10 0 GDAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cc(Br)nn3C)CC2)n1 ZINC000192093701 530961382 /nfs/dbraw/zinc/96/13/82/530961382.db2.gz CTZCBZISTCNHAT-SECBINFHSA-N 0 0 383.250 1.393 10 0 GDAERN C[C@H](CNC(=O)Cc1cccc(I)c1)N1CCOCC1 ZINC000121905740 530964440 /nfs/dbraw/zinc/96/44/40/530964440.db2.gz HAMYVHJOXOTMIP-GFCCVEGCSA-N 0 0 388.249 1.671 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000190836716 530938883 /nfs/dbraw/zinc/93/88/83/530938883.db2.gz UWKIMFCUTGCDDR-QMMMGPOBSA-N 0 0 392.200 1.113 10 0 GDAERN C[C@@H](CNC(=O)Cc1ccc(I)cc1)N1CCOCC1 ZINC000190883270 530939218 /nfs/dbraw/zinc/93/92/18/530939218.db2.gz ICHWUAJURUFORG-LBPRGKRZSA-N 0 0 388.249 1.671 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CC1=O ZINC000191041555 530942462 /nfs/dbraw/zinc/94/24/62/530942462.db2.gz SENPDICOTZCWPG-UHFFFAOYSA-N 0 0 390.184 1.357 10 0 GDAERN CN1CCCN(CCS(=O)(=O)c2cccc(Br)c2)CC1=O ZINC000191116824 530943963 /nfs/dbraw/zinc/94/39/63/530943963.db2.gz OSEKRNBEABBWKP-UHFFFAOYSA-N 0 0 375.288 1.387 10 0 GDAERN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCN(C)C(=O)C1 ZINC000191123761 530944099 /nfs/dbraw/zinc/94/40/99/530944099.db2.gz RWBUMWNJMKNCMF-CYBMUJFWSA-N 0 0 382.302 1.960 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191233921 530944934 /nfs/dbraw/zinc/94/49/34/530944934.db2.gz VPYMCBFOKKMQRS-JTQLQIEISA-N 0 0 390.184 1.403 10 0 GDAERN CCc1cnc(CCNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000120923683 530947303 /nfs/dbraw/zinc/94/73/03/530947303.db2.gz YXEMETHYOSPIEA-CQSZACIVSA-N 0 0 386.543 1.458 10 0 GDAERN Cc1ccc(CS(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(F)c1 ZINC000192805453 530974012 /nfs/dbraw/zinc/97/40/12/530974012.db2.gz YSFLMWLCQXXOFQ-HNNXBMFYSA-N 0 0 390.502 1.464 10 0 GDAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000192934909 530976458 /nfs/dbraw/zinc/97/64/58/530976458.db2.gz KBBKFUWZCUXMGG-VIFPVBQESA-N 0 0 378.351 1.935 10 0 GDAERN Cc1[nH]cc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(=O)c1Br ZINC000192327334 530966792 /nfs/dbraw/zinc/96/67/92/530966792.db2.gz RLLDVUYFKZSQMQ-QMMMGPOBSA-N 0 0 377.260 1.507 10 0 GDAERN O=C(NCc1nc(C2CC2)cs1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000122171502 530967589 /nfs/dbraw/zinc/96/75/89/530967589.db2.gz JDQDRKSCTLYOFT-CYBMUJFWSA-N 0 0 384.527 1.730 10 0 GDAERN O=C([C@H]1CCCCC(=O)N1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000193805356 530993400 /nfs/dbraw/zinc/99/34/00/530993400.db2.gz HPVXMSXHXOSSLJ-CYBMUJFWSA-N 0 0 381.274 1.552 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ncc1Br ZINC000193458398 530987195 /nfs/dbraw/zinc/98/71/95/530987195.db2.gz UWDRMOWIBDEHAO-LBPRGKRZSA-N 0 0 381.274 1.788 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000127561910 531031957 /nfs/dbraw/zinc/03/19/57/531031957.db2.gz UPULBRFMCITSLJ-ZDUSSCGKSA-N 0 0 397.269 1.890 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000246284412 531065933 /nfs/dbraw/zinc/06/59/33/531065933.db2.gz UCHVWPSFGKECPX-DOMZBBRYSA-N 0 0 378.491 1.478 10 0 GDAERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128118811 531037423 /nfs/dbraw/zinc/03/74/23/531037423.db2.gz VVVDCNSAKNQPJX-BXUZGUMPSA-N 0 0 377.268 1.570 10 0 GDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000128374292 531040468 /nfs/dbraw/zinc/04/04/68/531040468.db2.gz NAUHFDUYIHQJAB-ZDUSSCGKSA-N 0 0 392.930 1.837 10 0 GDAERN COC(=O)C[C@H](NC(=O)[C@H]1CCNC(=O)C1)c1cccc(Br)c1 ZINC000131204539 531067978 /nfs/dbraw/zinc/06/79/78/531067978.db2.gz SNSUCPXQSXKGDB-AAEUAGOBSA-N 0 0 383.242 1.696 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245789082 531061043 /nfs/dbraw/zinc/06/10/43/531061043.db2.gz IMNDXPUOQAEFAR-OWYVNGRQSA-N 0 0 383.242 1.846 10 0 GDAERN C[S@](=O)Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000247217348 531073858 /nfs/dbraw/zinc/07/38/58/531073858.db2.gz NWPBYRQNVJCOIA-VILLYWCTSA-N 0 0 386.901 1.824 10 0 GDAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247733237 531076258 /nfs/dbraw/zinc/07/62/58/531076258.db2.gz MJNNATLJUXFKBY-DOTOQJQBSA-N 0 0 396.285 1.786 10 0 GDAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000248345181 531078245 /nfs/dbraw/zinc/07/82/45/531078245.db2.gz MMJZTNTYEMGZRF-HZPDHXFCSA-N 0 0 388.555 1.952 10 0 GDAERN C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H](c2ccco2)C1 ZINC000249049683 531084219 /nfs/dbraw/zinc/08/42/19/531084219.db2.gz XBGWSNJVTJJFCQ-ZIAGYGMSSA-N 0 0 378.516 1.664 10 0 GDAERN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1 ZINC000252000116 531090590 /nfs/dbraw/zinc/09/05/90/531090590.db2.gz WKQZPKCQJIKEMW-OCCSQVGLSA-N 0 0 388.559 1.348 10 0 GDAERN C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H]1c1cccc(F)c1 ZINC000253354683 531091876 /nfs/dbraw/zinc/09/18/76/531091876.db2.gz HXIKFRJGIJLRTP-CZUORRHYSA-N 0 0 392.518 1.820 10 0 GDAERN Cc1csc2nc(CN3CC[C@@H](S(=O)(=O)N4CCCC4)C3)cc(=O)n12 ZINC000135722562 531111282 /nfs/dbraw/zinc/11/12/82/531111282.db2.gz MLFWKIGQALNMQO-CQSZACIVSA-N 0 0 382.511 1.064 10 0 GDAERN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1COCCN1 ZINC000262643857 531126164 /nfs/dbraw/zinc/12/61/64/531126164.db2.gz MIASBNDRUWZTKF-ZYHUDNBSSA-N 0 0 378.782 1.437 10 0 GDAERN CN1CCO[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]21 ZINC000152398771 531150973 /nfs/dbraw/zinc/15/09/73/531150973.db2.gz GFHPZUBSNQSGNH-HOTGVXAUSA-N 0 0 391.269 1.790 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000153254604 531165169 /nfs/dbraw/zinc/16/51/69/531165169.db2.gz RLJOCPDIDOIFPH-SNVBAGLBSA-N 0 0 390.665 1.488 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000154451625 531183913 /nfs/dbraw/zinc/18/39/13/531183913.db2.gz DGEKUACZOAWZBZ-BZNIZROVSA-N 0 0 382.258 1.936 10 0 GDAERN O=S(=O)(N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000157228931 531206412 /nfs/dbraw/zinc/20/64/12/531206412.db2.gz QYWLNHVHLFOXSQ-ZIAGYGMSSA-N 0 0 380.388 1.390 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407964028 531208606 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Cc1nc([C@H]2CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)sc1C ZINC000329733845 645326629 /nfs/dbraw/zinc/32/66/29/645326629.db2.gz JYHDFBPVWOPVNT-ZDUSSCGKSA-N 0 0 392.568 1.846 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@H]1CN(C)CCO1 ZINC000632632424 653387818 /nfs/dbraw/zinc/38/78/18/653387818.db2.gz XNARRLJBOGUIII-SNVBAGLBSA-N 0 0 383.333 1.770 10 0 GDAERN CN1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)CC1=O ZINC000681820939 654739273 /nfs/dbraw/zinc/73/92/73/654739273.db2.gz LDVUSTXIJFVWTE-QMMMGPOBSA-N 0 0 381.679 1.859 10 0 GDAERN COC(=O)[C@@H]1CSCN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000907881474 659841379 /nfs/dbraw/zinc/84/13/79/659841379.db2.gz JUIOZSBERRVUCI-VIFPVBQESA-N 0 0 378.237 1.193 10 0 GDAERN C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000689200433 968889981 /nfs/dbraw/zinc/88/99/81/968889981.db2.gz HDXCZODDRGFTKT-WBVHZDCISA-N 0 0 381.498 1.234 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC000718109688 977950625 /nfs/dbraw/zinc/95/06/25/977950625.db2.gz GVMKPQUEAWQXFO-QZTJIDSGSA-N 0 0 375.469 1.782 10 0 GDAERN O=C(c1cncc(I)c1)N1CCC[C@H](n2cncn2)C1 ZINC000163473061 530575822 /nfs/dbraw/zinc/57/58/22/530575822.db2.gz UMAOAKMZJLVZJP-LBPRGKRZSA-N 0 0 383.193 1.755 10 0 GDAERN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CCCO1 ZINC000027862011 530589722 /nfs/dbraw/zinc/58/97/22/530589722.db2.gz HNNAHGPWLOPJMS-QPUJVOFHSA-N 0 0 377.260 1.394 10 0 GDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000027849215 530589745 /nfs/dbraw/zinc/58/97/45/530589745.db2.gz NOWLNXLFFADDDL-JGVFFNPUSA-N 0 0 398.179 1.536 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000170896496 530591028 /nfs/dbraw/zinc/59/10/28/530591028.db2.gz XPQYKNBVZAXRST-CQSZACIVSA-N 0 0 392.257 1.634 10 0 GDAERN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@H](c2nccs2)C1 ZINC000170890594 530591145 /nfs/dbraw/zinc/59/11/45/530591145.db2.gz BNNZCKPYFDTZBZ-LBPRGKRZSA-N 0 0 378.479 1.347 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000171224379 530596531 /nfs/dbraw/zinc/59/65/31/530596531.db2.gz ALQDTCKVJOMBFN-LLVKDONJSA-N 0 0 384.274 1.533 10 0 GDAERN CC(C)n1ccnc1CS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000171675333 530602008 /nfs/dbraw/zinc/60/20/08/530602008.db2.gz DRUZARMJXHAGNJ-UHFFFAOYSA-N 0 0 385.511 1.829 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000170702326 530587326 /nfs/dbraw/zinc/58/73/26/530587326.db2.gz DMRIODYVPXEDNP-LBPRGKRZSA-N 0 0 382.258 1.823 10 0 GDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)N1CCOCC1 ZINC000041601265 530622545 /nfs/dbraw/zinc/62/25/45/530622545.db2.gz ZGDUQDMPHZEMJI-JTQLQIEISA-N 0 0 388.237 1.364 10 0 GDAERN CCc1nc(CN2CCN(S(=O)(=O)N3C[C@@H](C)OC[C@@H]3C)CC2)cs1 ZINC000173062955 530622704 /nfs/dbraw/zinc/62/27/04/530622704.db2.gz CBDUXIIFBPCIQU-UONOGXRCSA-N 0 0 388.559 1.177 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000173222076 530626131 /nfs/dbraw/zinc/62/61/31/530626131.db2.gz QRSHTXAGQFBNPF-ZLOXQWCVSA-N 0 0 376.475 1.706 10 0 GDAERN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCCC[C@H]1c1nccs1 ZINC000173379587 530629356 /nfs/dbraw/zinc/62/93/56/530629356.db2.gz ICJQWZGORCRUBR-ZDUSSCGKSA-N 0 0 378.479 1.694 10 0 GDAERN Cc1nc(CN2CCCN(S(=O)(=O)Cc3ccc(Cl)nc3)CC2)no1 ZINC000173824876 530637843 /nfs/dbraw/zinc/63/78/43/530637843.db2.gz AJGBONJIUPTPNR-UHFFFAOYSA-N 0 0 385.877 1.464 10 0 GDAERN C[C@@H](COCc1ccccc1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000172962901 530620118 /nfs/dbraw/zinc/62/01/18/530620118.db2.gz MBKFVBGYEQHAJB-NSHDSACASA-N 0 0 396.241 1.021 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000174328657 530647034 /nfs/dbraw/zinc/64/70/34/530647034.db2.gz NMFCSGMIJWRNOO-NWDGAFQWSA-N 0 0 376.425 1.210 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000174732499 530652733 /nfs/dbraw/zinc/65/27/33/530652733.db2.gz ZBUUSFNZGFWFAS-LLVKDONJSA-N 0 0 386.221 1.654 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000174905559 530655908 /nfs/dbraw/zinc/65/59/08/530655908.db2.gz CTUWKMCZORUEIF-VIFPVBQESA-N 0 0 392.200 1.113 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000175285593 530662711 /nfs/dbraw/zinc/66/27/11/530662711.db2.gz DVVDBVDRVIRKCN-VIFPVBQESA-N 0 0 387.259 1.343 10 0 GDAERN COc1cc(NC(=O)C(=O)NCCn2cc(C)cn2)ccc1Br ZINC000176042604 530675566 /nfs/dbraw/zinc/67/55/66/530675566.db2.gz ASJQTFCOSSUDAQ-UHFFFAOYSA-N 0 0 381.230 1.718 10 0 GDAERN COc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1Br ZINC000176748867 530690019 /nfs/dbraw/zinc/69/00/19/530690019.db2.gz QZUIIDCUCGSOGX-LLVKDONJSA-N 0 0 387.259 1.863 10 0 GDAERN Cc1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)sc1Br ZINC000176920450 530693845 /nfs/dbraw/zinc/69/38/45/530693845.db2.gz CWKNYUTYMFQELB-MRVPVSSYSA-N 0 0 377.289 1.704 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)s1 ZINC000177005373 530695638 /nfs/dbraw/zinc/69/56/38/530695638.db2.gz LVEPFAZBXIPSER-CYBMUJFWSA-N 0 0 383.499 1.140 10 0 GDAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000054230536 530699902 /nfs/dbraw/zinc/69/99/02/530699902.db2.gz PPLBPVJGHZBNHU-LLVKDONJSA-N 0 0 384.841 1.641 10 0 GDAERN C[C@@H](SC[C@@H](O)CO)C(=O)Nc1cccc(I)c1 ZINC000177410233 530702585 /nfs/dbraw/zinc/70/25/85/530702585.db2.gz SGCYATMQVZBEDA-KCJUWKMLSA-N 0 0 381.235 1.705 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@@H]1C ZINC000177607399 530706466 /nfs/dbraw/zinc/70/64/66/530706466.db2.gz XDBRTQRRQLBVTD-VHSXEESVSA-N 0 0 375.803 1.470 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626403 530707236 /nfs/dbraw/zinc/70/72/36/530707236.db2.gz CTVQRLOQAMKGLX-NSHDSACASA-N 0 0 378.230 1.419 10 0 GDAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccncc1I ZINC000179259128 530737779 /nfs/dbraw/zinc/73/77/79/530737779.db2.gz PLIRVTOBWZFFTB-GFCCVEGCSA-N 0 0 385.205 1.569 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccnc1Br)CC2 ZINC000179844743 530751676 /nfs/dbraw/zinc/75/16/76/530751676.db2.gz QQYFIWQGOZKAAA-VIFPVBQESA-N 0 0 393.245 1.068 10 0 GDAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000180092343 530757892 /nfs/dbraw/zinc/75/78/92/530757892.db2.gz NIKAWKQYLJBLEB-LLVKDONJSA-N 0 0 384.889 1.880 10 0 GDAERN CCc1nnc(CS(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)s2)n1C ZINC000180087418 530757956 /nfs/dbraw/zinc/75/79/56/530757956.db2.gz FBPHPKXISHVKDA-UHFFFAOYSA-N 0 0 390.918 1.666 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn2cc(Br)cnc12 ZINC000179763163 530749216 /nfs/dbraw/zinc/74/92/16/530749216.db2.gz SCGWFBPYKPWRBU-NSHDSACASA-N 0 0 376.218 1.657 10 0 GDAERN C[C@@H](C(=O)Nc1cc(Br)c[nH]c1=O)N1C(=O)c2ccccc2C1=O ZINC000067938164 530781439 /nfs/dbraw/zinc/78/14/39/530781439.db2.gz MZRYLFCPPXUFIY-QMMMGPOBSA-N 0 0 390.193 1.761 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)c2n[nH]c3ccc(Br)cc32)cn1 ZINC000181323172 530781752 /nfs/dbraw/zinc/78/17/52/530781752.db2.gz GALOOANDBPDQRL-CQSZACIVSA-N 0 0 389.257 1.846 10 0 GDAERN C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1Br ZINC000181572428 530786709 /nfs/dbraw/zinc/78/67/09/530786709.db2.gz RZUFTAMPAZIUPW-VIFPVBQESA-N 0 0 392.257 1.574 10 0 GDAERN C[C@H](CS(C)(=O)=O)N(C)C[C@H](O)COc1cccc(Br)c1 ZINC000069866855 530799899 /nfs/dbraw/zinc/79/98/99/530799899.db2.gz COTVOVVFACAUMK-YPMHNXCESA-N 0 0 380.304 1.554 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1C ZINC000184749366 530831731 /nfs/dbraw/zinc/83/17/31/530831731.db2.gz VELLFCWFVYMDSC-LLVKDONJSA-N 0 0 395.294 1.929 10 0 GDAERN COC[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000103433830 530834916 /nfs/dbraw/zinc/83/49/16/530834916.db2.gz GCOJYAFUWBKKDV-LLVKDONJSA-N 0 0 380.919 1.907 10 0 GDAERN O[C@H](CN1CCOCC1)CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000101729363 530825512 /nfs/dbraw/zinc/82/55/12/530825512.db2.gz AHLKCJFXBWHIDU-RHSMWYFYSA-N 0 0 385.302 1.516 10 0 GDAERN O=S(=O)(c1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111359890 530874411 /nfs/dbraw/zinc/87/44/11/530874411.db2.gz ALRNHJKXGWYNMS-ZDUSSCGKSA-N 0 0 386.271 1.735 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000186348952 530855899 /nfs/dbraw/zinc/85/58/99/530855899.db2.gz KJZKKLQFQYXFRG-SNVBAGLBSA-N 0 0 379.225 1.842 10 0 GDAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCO[C@H](Cn2cccn2)C1 ZINC000111360033 530874671 /nfs/dbraw/zinc/87/46/71/530874671.db2.gz WULILNHUMBKJNK-GFCCVEGCSA-N 0 0 381.845 1.274 10 0 GDAERN CCc1nc2n(n1)C[C@H](Nc1ncnc3c1c(Br)nn3C)CC2 ZINC000108948467 530860476 /nfs/dbraw/zinc/86/04/76/530860476.db2.gz JBMLXUPXFPVGHA-MRVPVSSYSA-N 0 0 377.250 1.707 10 0 GDAERN C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccccc1Br ZINC000186748223 530861842 /nfs/dbraw/zinc/86/18/42/530861842.db2.gz RAUWOJAYZTVUCR-VIFPVBQESA-N 0 0 384.255 1.983 10 0 GDAERN Cc1cnn([C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)c1 ZINC000109686361 530863611 /nfs/dbraw/zinc/86/36/11/530863611.db2.gz GLINQLHSVLFLGH-CQSZACIVSA-N 0 0 382.511 1.785 10 0 GDAERN CCC[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000111127783 530872085 /nfs/dbraw/zinc/87/20/85/530872085.db2.gz AJISVIPKYSIRCD-AAEUAGOBSA-N 0 0 383.290 1.981 10 0 GDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000185216331 530838098 /nfs/dbraw/zinc/83/80/98/530838098.db2.gz JVMCDADZUFVJDY-VIFPVBQESA-N 0 0 389.221 1.329 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000185291574 530839066 /nfs/dbraw/zinc/83/90/66/530839066.db2.gz YXTPQCAMHMDFAU-UHFFFAOYSA-N 0 0 392.168 1.017 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(Br)cc1Cl ZINC000188776730 530900719 /nfs/dbraw/zinc/90/07/19/530900719.db2.gz PXWPDZRVZLMLPL-DGCLKSJQSA-N 0 0 375.650 1.700 10 0 GDAERN O=C1NCCc2ccc(S(=O)(=O)N3CCC[C@H](c4nccs4)C3)cc21 ZINC000116349254 530904524 /nfs/dbraw/zinc/90/45/24/530904524.db2.gz UTISEBKFEVAENK-ZDUSSCGKSA-N 0 0 377.491 1.997 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2ccc(Br)cc2F)C1)C1CC1 ZINC000187918054 530880562 /nfs/dbraw/zinc/88/05/62/530880562.db2.gz YZZFQKHFJJMPJR-UHFFFAOYSA-N 0 0 377.235 1.487 10 0 GDAERN O=C(NC1CN(CCS(=O)(=O)c2cccc(Br)c2)C1)C1CC1 ZINC000187977075 530882172 /nfs/dbraw/zinc/88/21/72/530882172.db2.gz CKJVMPXSFPDEIF-UHFFFAOYSA-N 0 0 387.299 1.433 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000188057903 530883466 /nfs/dbraw/zinc/88/34/66/530883466.db2.gz YSYIIXZRELAPFZ-LBPRGKRZSA-N 0 0 384.274 1.533 10 0 GDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(Br)ccc1F ZINC000113299224 530889347 /nfs/dbraw/zinc/88/93/47/530889347.db2.gz GOVCGKFOAYROOP-VIFPVBQESA-N 0 0 375.223 1.473 10 0 GDAERN O=C(Cc1cccc(I)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000188517927 530895253 /nfs/dbraw/zinc/89/52/53/530895253.db2.gz DHRPKIIWDOHWQG-UHFFFAOYSA-N 0 0 398.244 1.961 10 0 GDAERN CN1CCCN(C(=O)c2ccnc(Cl)c2I)CC1=O ZINC000190354873 530929135 /nfs/dbraw/zinc/92/91/35/530929135.db2.gz CAPVUPMXGAFSFY-UHFFFAOYSA-N 0 0 393.612 1.644 10 0 GDAERN CC(=O)NC1CN(C(=O)c2cc(Br)nn2-c2ccc(C)cc2)C1 ZINC000190491204 530930744 /nfs/dbraw/zinc/93/07/44/530930744.db2.gz QBJCUDJYARIPAU-UHFFFAOYSA-N 0 0 377.242 1.904 10 0 GDAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000190508807 530931749 /nfs/dbraw/zinc/93/17/49/530931749.db2.gz UONBENDOYVYQLZ-CJNGLKHVSA-N 0 0 386.901 1.988 10 0 GDAERN O=C(c1sccc1OC(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119806674 530931970 /nfs/dbraw/zinc/93/19/70/530931970.db2.gz UJZLTZBAJURHOA-SNVBAGLBSA-N 0 0 380.438 1.990 10 0 GDAERN COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC1CC(O)C1 ZINC000190600331 530933441 /nfs/dbraw/zinc/93/34/41/530933441.db2.gz MUJCAHQSUZMOIM-UHFFFAOYSA-N 0 0 382.251 1.988 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccccc2Br)C[C@H]1C ZINC000117369427 530911848 /nfs/dbraw/zinc/91/18/48/530911848.db2.gz UQJMUNUHTQUVQU-GFCCVEGCSA-N 0 0 377.304 1.790 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000189453953 530914070 /nfs/dbraw/zinc/91/40/70/530914070.db2.gz LLYJQYGOHYZTQA-OAHLLOKOSA-N 0 0 398.301 1.611 10 0 GDAERN CC(=O)NC1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)C1 ZINC000189966589 530923162 /nfs/dbraw/zinc/92/31/62/530923162.db2.gz DEWDEOCLBDQOGO-UHFFFAOYSA-N 0 0 397.273 1.099 10 0 GDAERN CS(=O)(=O)CC1(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000119253716 530923817 /nfs/dbraw/zinc/92/38/17/530923817.db2.gz JNAZTCWQXJHMSG-SECBINFHSA-N 0 0 379.404 1.474 10 0 GDAERN COc1ccc(Cl)cc1S(=O)(=O)N1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000119458111 530926050 /nfs/dbraw/zinc/92/60/50/530926050.db2.gz DNSTYNCHLMHAGE-GJZGRUSLSA-N 0 0 388.917 1.958 10 0 GDAERN COc1ccc(Cl)cc1CC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119989389 530934629 /nfs/dbraw/zinc/93/46/29/530934629.db2.gz JTCDCVWZQJVGSH-HNNXBMFYSA-N 0 0 386.901 1.918 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(Br)nn3C)C2=O)n(C)n1 ZINC000192143106 530962903 /nfs/dbraw/zinc/96/29/03/530962903.db2.gz WKTCKSAFBZVSKA-JTQLQIEISA-N 0 0 395.261 1.150 10 0 GDAERN Cn1nc(Br)cc1C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000192187229 530964078 /nfs/dbraw/zinc/96/40/78/530964078.db2.gz HRJASOZKWOLZHM-JQWIXIFHSA-N 0 0 381.274 1.798 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000190673627 530935788 /nfs/dbraw/zinc/93/57/88/530935788.db2.gz IKHXBZPGGHBQKA-MRVPVSSYSA-N 0 0 388.649 1.778 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc(C)c1Br ZINC000190853039 530938866 /nfs/dbraw/zinc/93/88/66/530938866.db2.gz YDQYNIOIMZRCLK-UHFFFAOYSA-N 0 0 394.269 1.741 10 0 GDAERN O=C(Cc1ccc(I)cc1)N[C@H]1CCc2ncnn2C1 ZINC000190932484 530940526 /nfs/dbraw/zinc/94/05/26/530940526.db2.gz FBEGSBIQNNESRV-LBPRGKRZSA-N 0 0 382.205 1.556 10 0 GDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(I)cc1 ZINC000190979896 530941224 /nfs/dbraw/zinc/94/12/24/530941224.db2.gz QEXSUPNWQVXRHP-SECBINFHSA-N 0 0 394.234 1.190 10 0 GDAERN Oc1ccc(Br)c(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000120501912 530942146 /nfs/dbraw/zinc/94/21/46/530942146.db2.gz MEDHLRXQKSSYNM-UHFFFAOYSA-N 0 0 389.257 1.915 10 0 GDAERN Cc1cc(I)ccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120987676 530948551 /nfs/dbraw/zinc/94/85/51/530948551.db2.gz GOEDNBFSPKRQNO-NSHDSACASA-N 0 0 388.205 1.521 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000121250594 530953135 /nfs/dbraw/zinc/95/31/35/530953135.db2.gz WJUFDOJCBJOQCK-STQMWFEESA-N 0 0 385.452 1.191 10 0 GDAERN Cc1ccc([C@H](CNS(=O)(=O)CC[C@@H]2CCCO2)N2CCOCC2)s1 ZINC000123109436 530979641 /nfs/dbraw/zinc/97/96/41/530979641.db2.gz JDEAOUCIZHTYCJ-HOTGVXAUSA-N 0 0 388.555 1.918 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000193112674 530979689 /nfs/dbraw/zinc/97/96/89/530979689.db2.gz FQFCMCDJBZNWNB-DAXOMENPSA-N 0 0 387.263 1.875 10 0 GDAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCO2)cn1 ZINC000194809569 531010677 /nfs/dbraw/zinc/01/06/77/531010677.db2.gz GZEJSLWKJOERLV-ZDUSSCGKSA-N 0 0 379.467 1.670 10 0 GDAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000126327935 531017866 /nfs/dbraw/zinc/01/78/66/531017866.db2.gz CXDQETGGTRMRMN-GFCCVEGCSA-N 0 0 383.297 1.106 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000126407069 531018293 /nfs/dbraw/zinc/01/82/93/531018293.db2.gz ZLVLKYHRQWZPEQ-CYBMUJFWSA-N 0 0 388.921 1.841 10 0 GDAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000194296878 531002474 /nfs/dbraw/zinc/00/24/74/531002474.db2.gz HYHPHXBWJQGIAU-GDBMZVCRSA-N 0 0 392.253 1.877 10 0 GDAERN Cc1c(C(=O)N[C@H](C)[C@H]2CCCO2)cc(Br)cc1S(N)(=O)=O ZINC000125063651 531002781 /nfs/dbraw/zinc/00/27/81/531002781.db2.gz CLEZZHSLPNLWEA-BXKDBHETSA-N 0 0 391.287 1.702 10 0 GDAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)NC[C@@]1(O)CCOC1 ZINC000246216553 531065416 /nfs/dbraw/zinc/06/54/16/531065416.db2.gz FFDWGVPYNNXSMI-GUYCJALGSA-N 0 0 398.301 1.726 10 0 GDAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128118597 531037330 /nfs/dbraw/zinc/03/73/30/531037330.db2.gz VVVDCNSAKNQPJX-SMDDNHRTSA-N 0 0 377.268 1.570 10 0 GDAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccs3)C2)c1 ZINC000128713676 531043624 /nfs/dbraw/zinc/04/36/24/531043624.db2.gz GNIAZCOAZHLCIA-ZIAGYGMSSA-N 0 0 382.511 1.784 10 0 GDAERN Cc1ccc([C@H]2CCCCN2C(=O)Cn2cc(Br)c(=O)[nH]c2=O)o1 ZINC000129098815 531047834 /nfs/dbraw/zinc/04/78/34/531047834.db2.gz OOWUPZCQNBGLLK-GFCCVEGCSA-N 0 0 396.241 1.954 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)ccc1Br ZINC000247247119 531073601 /nfs/dbraw/zinc/07/36/01/531073601.db2.gz ZWCQMPQOJFVCJY-GHMZBOCLSA-N 0 0 396.328 1.954 10 0 GDAERN O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCS[C@H]2COCC[C@H]21 ZINC000247325783 531074321 /nfs/dbraw/zinc/07/43/21/531074321.db2.gz WNAAGZMMIGQGFQ-CVEARBPZSA-N 0 0 383.470 1.906 10 0 GDAERN NC(=O)Cc1csc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000247777838 531076788 /nfs/dbraw/zinc/07/67/88/531076788.db2.gz YOSVCCJWRPRGEP-JTQLQIEISA-N 0 0 378.479 1.723 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)C[C@H]3C(F)(F)F)ccc2O1 ZINC000248646356 531080912 /nfs/dbraw/zinc/08/09/12/531080912.db2.gz PFSZZGJVQWTYNT-RNCFNFMXSA-N 0 0 378.372 1.452 10 0 GDAERN CNc1nnc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)s1 ZINC000248706538 531081156 /nfs/dbraw/zinc/08/11/56/531081156.db2.gz AAQSOSNWBFNQIU-NWDGAFQWSA-N 0 0 381.527 1.762 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)ccc1Br ZINC000248724127 531081369 /nfs/dbraw/zinc/08/13/69/531081369.db2.gz GYLKPEBNEWICEH-MNOVXSKESA-N 0 0 399.289 1.005 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CCN1C[C@H](C)O ZINC000248687236 531081532 /nfs/dbraw/zinc/08/15/32/531081532.db2.gz AKQYIHUUUARSIT-AAEUAGOBSA-N 0 0 399.289 1.086 10 0 GDAERN C[C@H](CC(=O)NC[C@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000132551018 531082303 /nfs/dbraw/zinc/08/23/03/531082303.db2.gz JMBJJEVZXQRIQD-CJNGLKHVSA-N 0 0 385.302 1.752 10 0 GDAERN C[C@@H](CC(=O)NC[C@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000132550846 531082311 /nfs/dbraw/zinc/08/23/11/531082311.db2.gz JMBJJEVZXQRIQD-BBRMVZONSA-N 0 0 385.302 1.752 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000248873681 531082764 /nfs/dbraw/zinc/08/27/64/531082764.db2.gz QVAFGAQTAMVKSS-YRGRVCCFSA-N 0 0 395.253 1.788 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(-c2ccccc2Cl)n1 ZINC000132973648 531086105 /nfs/dbraw/zinc/08/61/05/531086105.db2.gz LQWSDTZTCCPPRB-GFCCVEGCSA-N 0 0 381.885 1.886 10 0 GDAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000249438794 531086871 /nfs/dbraw/zinc/08/68/71/531086871.db2.gz JIFVKLMLGUSOFG-RTXFEEFZSA-N 0 0 377.413 1.643 10 0 GDAERN CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000249697164 531089064 /nfs/dbraw/zinc/08/90/64/531089064.db2.gz AEFFUNKSNPRZKU-ZFWWWQNUSA-N 0 0 394.269 1.682 10 0 GDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000253555589 531092113 /nfs/dbraw/zinc/09/21/13/531092113.db2.gz QQCQWYDIDGSITP-ZWKOPEQDSA-N 0 0 398.257 1.175 10 0 GDAERN CCc1noc([C@H](C)N2CCN(c3cnn(C)c(=O)c3Br)CC2)n1 ZINC000261484825 531093424 /nfs/dbraw/zinc/09/34/24/531093424.db2.gz ZXVVQNUJEFGHNU-JTQLQIEISA-N 0 0 397.277 1.371 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(F)cc1F ZINC000134702693 531102901 /nfs/dbraw/zinc/10/29/01/531102901.db2.gz PYUIUVYQIVYWNI-LBPRGKRZSA-N 0 0 394.465 1.462 10 0 GDAERN COc1cc(-c2noc(C[S@@](=O)C[C@@H](C)CS(C)(=O)=O)n2)ccc1C ZINC000137126761 531116788 /nfs/dbraw/zinc/11/67/88/531116788.db2.gz PXRIOFJGXMTNDV-YDGUKXNOSA-N 0 0 386.495 1.983 10 0 GDAERN Cc1ccc([C@H](CNC(=O)[C@H](C)N2CCSCC2)N2CCOCC2)s1 ZINC000153324281 531166124 /nfs/dbraw/zinc/16/61/24/531166124.db2.gz LIOHGYDRYNIFHR-HOTGVXAUSA-N 0 0 383.583 1.983 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCO[C@H]2CCCC[C@H]21 ZINC000153879315 531172948 /nfs/dbraw/zinc/17/29/48/531172948.db2.gz AMSWIXOFVXKFGI-MNOVXSKESA-N 0 0 378.903 1.850 10 0 GDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000154206779 531179266 /nfs/dbraw/zinc/17/92/66/531179266.db2.gz WRWAUSDIGYDAJU-LSDHHAIUSA-N 0 0 386.901 1.788 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cncc(Br)c1)CC2 ZINC000154376824 531182743 /nfs/dbraw/zinc/18/27/43/531182743.db2.gz ARFDOJRLVYMAHN-SNVBAGLBSA-N 0 0 393.245 1.068 10 0 GDAERN O=C(c1ccncc1Br)N1CCN(c2ccc3nncn3n2)CC1 ZINC000155492545 531200801 /nfs/dbraw/zinc/20/08/01/531200801.db2.gz NUXFEGYFIHECRD-UHFFFAOYSA-N 0 0 388.229 1.244 10 0 GDAERN CSc1nsc(NC(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)n1 ZINC000157072337 531206041 /nfs/dbraw/zinc/20/60/41/531206041.db2.gz SBDKWJCFVQFHJZ-UHFFFAOYSA-N 0 0 381.531 1.960 10 0 GDAERN Cn1cc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc(Br)c1=O ZINC000156196553 531204450 /nfs/dbraw/zinc/20/44/50/531204450.db2.gz CNLMJQRRGGNEER-LLVKDONJSA-N 0 0 381.234 1.608 10 0 GDAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C[C@@H]21 ZINC000408021061 531211816 /nfs/dbraw/zinc/21/18/16/531211816.db2.gz GILRIOIKBVXOHD-LSDHHAIUSA-N 0 0 387.889 1.257 10 0 GDAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@@H]2C1 ZINC000408030564 531213359 /nfs/dbraw/zinc/21/33/59/531213359.db2.gz ZVFQYUZAJNTRRZ-VXGBXAGGSA-N 0 0 380.388 1.679 10 0 GDAERN C[C@H]1OCCN(C(=O)c2csc(I)c2)[C@@H]1C(N)=O ZINC000408064343 531215457 /nfs/dbraw/zinc/21/54/57/531215457.db2.gz KUBDMDIKTASLMN-MUWHJKNJSA-N 0 0 380.207 1.068 10 0 GDAERN O=C(NC1CCS(=O)CC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000408202293 531225686 /nfs/dbraw/zinc/22/56/86/531225686.db2.gz LXNHYEVVXPIQLI-JGWUVBNSSA-N 0 0 390.552 1.319 10 0 GDAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248875 531229477 /nfs/dbraw/zinc/22/94/77/531229477.db2.gz XPUIWMIRROXTKU-MRXNPFEDSA-N 0 0 381.274 1.652 10 0 GDAERN Cc1cc(F)c(NC(=O)N2C[C@@H](O)C[C@@H]2CO)c(I)c1 ZINC000408238052 531228262 /nfs/dbraw/zinc/22/82/62/531228262.db2.gz VQQGBHNQFAUKCO-BDAKNGLRSA-N 0 0 394.184 1.698 10 0 GDAERN Cc1c(Br)cccc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000408432837 531239913 /nfs/dbraw/zinc/23/99/13/531239913.db2.gz IRZHKCHWLHLHPM-NWDGAFQWSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCCNC(=O)[C@@H]1C ZINC000408288182 531230730 /nfs/dbraw/zinc/23/07/30/531230730.db2.gz WDTVJFBSAFPUMI-NSHDSACASA-N 0 0 375.288 1.965 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000408271912 531230791 /nfs/dbraw/zinc/23/07/91/531230791.db2.gz SWUCZBCUJUNUOX-TUAOUCFPSA-N 0 0 386.436 1.472 10 0 GDAERN NS(=O)(=O)c1cc(F)c(N2CCN3CCC[C@@H]3C2)c(Br)c1 ZINC000408375361 531235558 /nfs/dbraw/zinc/23/55/58/531235558.db2.gz SRKMNAKFZKCGAR-SECBINFHSA-N 0 0 378.267 1.520 10 0 GDAERN C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(F)ccc3F)CC2)[C@@H](C)CO1 ZINC000408369942 531235683 /nfs/dbraw/zinc/23/56/83/531235683.db2.gz DXRRVOAYULXKRC-STQMWFEESA-N 0 0 375.441 1.441 10 0 GDAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000365466365 531651039 /nfs/dbraw/zinc/65/10/39/531651039.db2.gz JSDWJVOCRVAEDE-NEPJUHHUSA-N 0 0 385.873 1.274 10 0 GDAERN C[C@@H]1[C@@H](O)CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000296729651 531717791 /nfs/dbraw/zinc/71/77/91/531717791.db2.gz AVGXOROQGKVMBC-HIFRSBDPSA-N 0 0 386.539 1.837 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C2(c3cncc(Br)c3)CC2)n1 ZINC000366847613 531784866 /nfs/dbraw/zinc/78/48/66/531784866.db2.gz UAHGHLZDJOKPGZ-CHWSQXEVSA-N 0 0 393.241 1.902 10 0 GDAERN Cc1noc([C@H]2CN(c3ncccc3I)CCN2C)n1 ZINC000284650596 531976886 /nfs/dbraw/zinc/97/68/86/531976886.db2.gz VHHGVJZEDLJKAB-LLVKDONJSA-N 0 0 385.209 1.871 10 0 GDAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c(C)cc1Br ZINC000284656540 531978807 /nfs/dbraw/zinc/97/88/07/531978807.db2.gz GREXIILYDCSXNI-GHMZBOCLSA-N 0 0 375.288 1.808 10 0 GDAERN C[C@H](Nc1cnn(C)c(=O)c1Br)C(=O)N1CCc2ccccc21 ZINC000301226496 532028241 /nfs/dbraw/zinc/02/82/41/532028241.db2.gz GGMQTNMCRGRFTB-JTQLQIEISA-N 0 0 377.242 1.933 10 0 GDAERN CNS(=O)(=O)c1ccc(CNc2cnn(C)c(=O)c2Br)cc1 ZINC000301260986 532031916 /nfs/dbraw/zinc/03/19/16/532031916.db2.gz VFJUILQOIZDLMG-UHFFFAOYSA-N 0 0 387.259 1.063 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 ZINC000328760196 532093092 /nfs/dbraw/zinc/09/30/92/532093092.db2.gz XHBGLKJPCBSBQK-AWEZNQCLSA-N 0 0 386.495 1.800 10 0 GDAERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000329182531 532098313 /nfs/dbraw/zinc/09/83/13/532098313.db2.gz FFBWAYQMEIKOGV-SBFPOUOMSA-N 0 0 384.420 1.272 10 0 GDAERN O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCn2ccnc2C1 ZINC000329296908 532103127 /nfs/dbraw/zinc/10/31/27/532103127.db2.gz KRTLWFULEVYGBH-UHFFFAOYSA-N 0 0 380.495 1.775 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3cc(Br)cc4nc[nH]c43)C[C@H]21 ZINC000286183371 532135150 /nfs/dbraw/zinc/13/51/50/532135150.db2.gz AKYLFEHBSBSIMA-KGLIPLIRSA-N 0 0 379.258 1.871 10 0 GDAERN C[C@@H](C[C@H]1CCCO1)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000332716482 532207068 /nfs/dbraw/zinc/20/70/68/532207068.db2.gz HVGLYSDDZXLUKA-GXTWGEPZSA-N 0 0 388.511 1.456 10 0 GDAERN C[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C[C@H](C)O1 ZINC000332827002 532211455 /nfs/dbraw/zinc/21/14/55/532211455.db2.gz MCKXTLAUSGTRDZ-MELADBBJSA-N 0 0 387.527 1.720 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](C)Sc3ccccc32)N(S(C)(=O)=O)C1 ZINC000333363474 532231438 /nfs/dbraw/zinc/23/14/38/532231438.db2.gz YABGTBZCRWVANV-VNHYZAJKSA-N 0 0 384.523 1.953 10 0 GDAERN O=C(CCN1C(=O)CCC1=O)N1CCNC(=O)c2ccc(Br)cc21 ZINC000333432280 532234484 /nfs/dbraw/zinc/23/44/84/532234484.db2.gz JWWSRLQEAKSJBT-UHFFFAOYSA-N 0 0 394.225 1.065 10 0 GDAERN Cn1nccc1[C@H]1[C@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)CC(=O)N1C ZINC000333130291 532220904 /nfs/dbraw/zinc/22/09/04/532220904.db2.gz WUJCAHKXBZOSDB-MISXGVKJSA-N 0 0 376.429 1.047 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CCSC[C@@H]2c2ccccc2)N(S(C)(=O)=O)C1 ZINC000333240401 532226953 /nfs/dbraw/zinc/22/69/53/532226953.db2.gz WIHKYBOFJSWTSJ-ARFHVFGLSA-N 0 0 384.523 1.352 10 0 GDAERN CCOc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000005255832 209122393 /nfs/dbraw/zinc/12/23/93/209122393.db2.gz NPIYTMFAEDMXBV-UHFFFAOYSA-N 0 0 386.456 1.687 10 0 GDAERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2ccc(OC)cc2F)cn1 ZINC000328623502 206235515 /nfs/dbraw/zinc/23/55/15/206235515.db2.gz JGAOWZKAVCTTHJ-MRXNPFEDSA-N 0 0 381.429 1.663 10 0 GDAERN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000063670728 206259815 /nfs/dbraw/zinc/25/98/15/206259815.db2.gz ALULLRVAROXDBS-UHFFFAOYSA-N 0 0 376.372 1.952 10 0 GDAERN NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000001723894 206292420 /nfs/dbraw/zinc/29/24/20/206292420.db2.gz UZVZEYZYKHYFBY-SFHVURJKSA-N 0 0 394.431 1.607 10 0 GDAERN NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000015785205 206295730 /nfs/dbraw/zinc/29/57/30/206295730.db2.gz UZVZEYZYKHYFBY-GOSISDBHSA-N 0 0 394.431 1.607 10 0 GDAERN CCc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2cc3ccccc3n21 ZINC000006751122 206670542 /nfs/dbraw/zinc/67/05/42/206670542.db2.gz BOWFJORUCQIKMR-UHFFFAOYSA-N 0 0 396.447 1.577 10 0 GDAERN CCc1ccc(N2C(=O)N(CC(=O)N(CC)CC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000020132639 207179149 /nfs/dbraw/zinc/17/91/49/207179149.db2.gz SABYZBLQVWZLIO-DLBZAZTESA-N 0 0 393.509 1.525 10 0 GDAERN COCCNC(=O)c1cn(C2CCN(C(=O)Cc3cccc(C)c3)CC2)nn1 ZINC000020999282 207222425 /nfs/dbraw/zinc/22/24/25/207222425.db2.gz MJHTWBNDSFEMLR-UHFFFAOYSA-N 0 0 385.468 1.369 10 0 GDAERN CCOC(=O)CN1C(=O)[C@@H](NC(=O)c2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC000032628975 207399390 /nfs/dbraw/zinc/39/93/90/207399390.db2.gz NAWDCYIJQJNDJS-BLLLJJGKSA-N 0 0 388.342 1.221 10 0 GDAERN O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCc1ccc(Cl)cc1 ZINC000064626169 207805889 /nfs/dbraw/zinc/80/58/89/207805889.db2.gz MFBNOYKGOMXZDM-GOSISDBHSA-N 0 0 386.883 1.784 10 0 GDAERN COc1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCN(CC(N)=O)CC2)cc1 ZINC000091475831 208119315 /nfs/dbraw/zinc/11/93/15/208119315.db2.gz RGTSNWSGXKHBCI-LJQANCHMSA-N 0 0 389.496 1.400 10 0 GDAERN CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1F)S(C)(=O)=O ZINC000096278938 208302597 /nfs/dbraw/zinc/30/25/97/208302597.db2.gz FUZVYMAHZJUNBO-SFHVURJKSA-N 0 0 397.447 1.979 10 0 GDAERN COc1cc(/C=c2/s/c(=C\C(=O)C(C)(C)C)n(C)c2=O)cc2c1OCCO2 ZINC000097992410 209018560 /nfs/dbraw/zinc/01/85/60/209018560.db2.gz YKTDAJBIKOYIFL-XHVZTWRLSA-N 0 0 389.473 1.451 10 0 GDAERN Cn1c(=O)cc(N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)n(C)c1=O ZINC000065024054 136158771 /nfs/dbraw/zinc/15/87/71/136158771.db2.gz WFVMGIZJPMOJIP-LLVKDONJSA-N 0 0 378.379 1.217 10 0 GDAERN CCCn1c2ccccc2nc(N2CCN(C(=O)c3ccnn3C)CC2)c1=O ZINC000065113222 136159307 /nfs/dbraw/zinc/15/93/07/136159307.db2.gz KEZSZNYBXBZAMQ-UHFFFAOYSA-N 0 0 380.452 1.502 10 0 GDAERN COc1ccc(CNC(=O)c2cn(-c3cc(N4CCOCC4)ncn3)cn2)cc1 ZINC000065239954 136161139 /nfs/dbraw/zinc/16/11/39/136161139.db2.gz WZAZUHHWKYZJAW-UHFFFAOYSA-N 0 0 394.435 1.438 10 0 GDAERN CC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)NCC(C)C)CC1 ZINC000036158071 570554567 /nfs/dbraw/zinc/55/45/67/570554567.db2.gz GQCUWNATIPJBRL-SFHVURJKSA-N 0 0 377.460 1.955 10 0 GDAERN O=C(NCCc1ccccc1)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097078048 570664422 /nfs/dbraw/zinc/66/44/22/570664422.db2.gz IPHCCUOWRAAHAX-FQEVSTJZSA-N 0 0 384.524 1.957 10 0 GDAERN COc1cccc(CN2CCc3c(cc(C(=O)N4CCN(C)CC4)n3C)C2)c1 ZINC000065210950 570730307 /nfs/dbraw/zinc/73/03/07/570730307.db2.gz RMIKJUIYGILACB-UHFFFAOYSA-N 0 0 382.508 1.980 10 0 GDAERN CC(C)Cc1ncc2c(n1)CN(c1cncc(C(=O)N3CCN(C)CC3)n1)C2 ZINC000067834434 570793707 /nfs/dbraw/zinc/79/37/07/570793707.db2.gz QLFYEZCZMKYHFE-UHFFFAOYSA-N 0 0 381.484 1.373 10 0 GDAERN COCCN(C)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)c3cccnc3)C2)c(=O)c1 ZINC000583620131 570800361 /nfs/dbraw/zinc/80/03/61/570800361.db2.gz BOOCJKYZHQBLPZ-WMZOPIPTSA-N 0 0 399.495 1.688 10 0 GDAERN Cc1cccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)c1O ZINC000583624113 570801886 /nfs/dbraw/zinc/80/18/86/570801886.db2.gz HPEWAGZCFCMTBB-OAHLLOKOSA-N 0 0 398.463 1.362 10 0 GDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OC[C@H]1CC1(Cl)Cl ZINC000016280077 644248505 /nfs/dbraw/zinc/24/85/05/644248505.db2.gz OBNUDWQBBPXEGT-DTWKUNHWSA-N 0 0 377.249 1.851 10 0 GDAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(F)(F)F ZINC000126633728 644721532 /nfs/dbraw/zinc/72/15/32/644721532.db2.gz UZXNFMFAMFUZBN-LBPRGKRZSA-N 0 0 377.388 1.770 10 0 GDAERN C[C@@H](CNC(=O)COc1ccc(C=O)cc1Br)N1CCOCC1 ZINC000173411920 644891467 /nfs/dbraw/zinc/89/14/67/644891467.db2.gz SVEMRRLUVBOJPS-LBPRGKRZSA-N 0 0 385.258 1.477 10 0 GDAERN CC(=O)N[C@@H]1CCCN(Cn2nc(Br)nc2Br)C1 ZINC000175233440 644904290 /nfs/dbraw/zinc/90/42/90/644904290.db2.gz UDHQQIANTGQPAL-MRVPVSSYSA-N 0 0 381.072 1.361 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C(C)C ZINC000178925763 644928853 /nfs/dbraw/zinc/92/88/53/644928853.db2.gz LZYZPGDAPMMQEJ-SECBINFHSA-N 0 0 384.683 1.546 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C1 ZINC000179506137 644933349 /nfs/dbraw/zinc/93/33/49/644933349.db2.gz VFRJORPMGFRKDI-NSHDSACASA-N 0 0 383.246 1.218 10 0 GDAERN Cc1ccc(NS(=O)(=O)N2CCCCCC2)cc1S(=O)(=O)NC1CC1 ZINC000329444323 645313675 /nfs/dbraw/zinc/31/36/75/645313675.db2.gz CCPCWPXOBPAWKR-UHFFFAOYSA-N 0 0 387.527 1.968 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)N(S(C)(=O)=O)C1 ZINC000329831965 645331713 /nfs/dbraw/zinc/33/17/13/645331713.db2.gz FUPDFGADKOOKRW-SPWCGHHHSA-N 0 0 388.511 1.085 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000330228705 645348813 /nfs/dbraw/zinc/34/88/13/645348813.db2.gz VMGDPXJPWFMJGM-BZUAXINKSA-N 0 0 394.559 1.053 10 0 GDAERN O=c1[nH]c2cc(Br)c(S(=O)(=O)N3C[C@H](F)C[C@H]3CO)cc2[nH]1 ZINC000444275605 647248046 /nfs/dbraw/zinc/24/80/46/647248046.db2.gz DHEAIKJGBXLFFM-RQJHMYQMSA-N 0 0 394.222 1.124 10 0 GDAERN Cc1csc(S(=O)(=O)N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)c1 ZINC000577824676 651755386 /nfs/dbraw/zinc/75/53/86/651755386.db2.gz YHAOFDFYYRZFAV-LLVKDONJSA-N 0 0 382.467 1.858 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2occc2Br)C1 ZINC000702795565 654833125 /nfs/dbraw/zinc/83/31/25/654833125.db2.gz LFNFYNVRUVAIKE-GXSJLCMTSA-N 0 0 389.246 2.000 10 0 GDAERN Cn1cc(CN2CCC[C@@H](Cn3cncn3)C2)c(I)n1 ZINC000893870277 658471133 /nfs/dbraw/zinc/47/11/33/658471133.db2.gz XPSQFOAMLSROSG-LLVKDONJSA-N 0 0 386.241 1.528 10 0 GDAERN O=C(Cc1ccccc1I)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909169934 659941288 /nfs/dbraw/zinc/94/12/88/659941288.db2.gz ZXYWLQMFGLKLLO-VNHYZAJKSA-N 0 0 397.216 1.521 10 0 GDAERN C[C@@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705943444 954942531 /nfs/dbraw/zinc/94/25/31/954942531.db2.gz CHDHFDQELINKCR-OALUTQOASA-N 0 0 380.510 1.330 10 0 GDAERN CC(C)[C@H]1CN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000704730754 977247844 /nfs/dbraw/zinc/24/78/44/977247844.db2.gz DQORZYHBRKDZSL-MRXNPFEDSA-N 0 0 392.481 1.639 10 0 GDAERN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000716172194 977810918 /nfs/dbraw/zinc/81/09/18/977810918.db2.gz FHENZMJTBAZLOH-DYVFJYSZSA-N 0 0 377.466 1.902 10 0 GDAERN CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2ncc(C(=O)[O-])s2)CC1 ZINC000721921876 978130484 /nfs/dbraw/zinc/13/04/84/978130484.db2.gz NQKGULUFNUDOJS-UHFFFAOYSA-N 0 0 384.502 1.920 10 0 GDAERN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2S1 ZINC000015730886 210166342 /nfs/dbraw/zinc/16/63/42/210166342.db2.gz SGWDFFVCSTUYEN-CYBMUJFWSA-N 0 0 399.538 1.510 10 0 GDAERN CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000014966100 210136247 /nfs/dbraw/zinc/13/62/47/210136247.db2.gz DTQLLJCKRAJSPZ-INIZCTEOSA-N 0 0 399.413 1.896 10 0 GDAERN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCSC)c(OC)c1 ZINC000014950252 210130385 /nfs/dbraw/zinc/13/03/85/210130385.db2.gz LIGCGINHIZSELA-INIZCTEOSA-N 0 0 395.525 1.264 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000166886563 530583194 /nfs/dbraw/zinc/58/31/94/530583194.db2.gz YVOVAAJQPJDXAW-NSHDSACASA-N 0 0 388.649 1.778 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000161873646 530564358 /nfs/dbraw/zinc/56/43/58/530564358.db2.gz QETRMSCEDQAXPI-QWHCGFSZSA-N 0 0 376.837 1.910 10 0 GDAERN COc1nc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)ncc1Br ZINC000162067236 530566152 /nfs/dbraw/zinc/56/61/52/530566152.db2.gz BNDPRAJMUATNIY-LBPRGKRZSA-N 0 0 387.278 1.303 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000166708254 530583557 /nfs/dbraw/zinc/58/35/57/530583557.db2.gz RFXVCBSDZPAIMN-LLVKDONJSA-N 0 0 388.649 1.778 10 0 GDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000170775113 530588973 /nfs/dbraw/zinc/58/89/73/530588973.db2.gz IZPPNVNVLHOWOM-STQMWFEESA-N 0 0 383.242 1.494 10 0 GDAERN Cc1nnc(S(=O)(=O)Cc2nnnn2C(C)C)n1CCc1cccs1 ZINC000170819220 530589783 /nfs/dbraw/zinc/58/97/83/530589783.db2.gz FFYMREMPPKWUMX-UHFFFAOYSA-N 0 0 381.487 1.432 10 0 GDAERN C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCCO1 ZINC000027894592 530590166 /nfs/dbraw/zinc/59/01/66/530590166.db2.gz KERKABZPVRNXOI-TVQRCGJNSA-N 0 0 381.226 1.729 10 0 GDAERN CN1CCO[C@@H](CNC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000170924504 530591928 /nfs/dbraw/zinc/59/19/28/530591928.db2.gz VNIIVDQWNZHNAN-ZDUSSCGKSA-N 0 0 385.262 1.017 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)COc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000173088999 530623199 /nfs/dbraw/zinc/62/31/99/530623199.db2.gz KFZZGNRMWCZFDL-CYBMUJFWSA-N 0 0 399.220 1.994 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173688560 530635073 /nfs/dbraw/zinc/63/50/73/530635073.db2.gz WSFWETLYSMJWKT-NSHDSACASA-N 0 0 396.220 1.982 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)[nH]1 ZINC000173734921 530635536 /nfs/dbraw/zinc/63/55/36/530635536.db2.gz QYAZUMGPTGSTAB-MRVPVSSYSA-N 0 0 378.241 1.577 10 0 GDAERN Cn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1Cl ZINC000045798522 530646626 /nfs/dbraw/zinc/64/66/26/530646626.db2.gz RXGZVJLPCXEYMN-UHFFFAOYSA-N 0 0 388.921 1.877 10 0 GDAERN O=C(NCc1ccsc1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000175308316 530663349 /nfs/dbraw/zinc/66/33/49/530663349.db2.gz VGKQPQQPBHUIRB-AWEZNQCLSA-N 0 0 375.475 1.978 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cs1 ZINC000175709208 530668713 /nfs/dbraw/zinc/66/87/13/530668713.db2.gz CGJSVABRJOVKKL-UHFFFAOYSA-N 0 0 382.467 1.855 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)s1)N[C@@H]1CCCn2ncnc21 ZINC000175823843 530671353 /nfs/dbraw/zinc/67/13/53/530671353.db2.gz PRFPIEBCBSFFDP-MRVPVSSYSA-N 0 0 384.259 1.483 10 0 GDAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176102044 530677022 /nfs/dbraw/zinc/67/70/22/530677022.db2.gz KXESLWLWIWESGG-LLVKDONJSA-N 0 0 394.229 1.639 10 0 GDAERN COc1cc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)ccc1Br ZINC000176100482 530677152 /nfs/dbraw/zinc/67/71/52/530677152.db2.gz CKRBUXUCZVQNPR-NSHDSACASA-N 0 0 394.229 1.639 10 0 GDAERN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC[C@H](c2nccs2)C1 ZINC000176185084 530678140 /nfs/dbraw/zinc/67/81/40/530678140.db2.gz RDIBNLPMOUEXQT-FZMZJTMJSA-N 0 0 378.479 1.579 10 0 GDAERN COc1nc(N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ncc1Br ZINC000178374843 530720481 /nfs/dbraw/zinc/72/04/81/530720481.db2.gz OPRBQWQIAKVJGP-SNVBAGLBSA-N 0 0 391.291 1.252 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626390 530707008 /nfs/dbraw/zinc/70/70/08/530707008.db2.gz CTVQRLOQAMKGLX-LLVKDONJSA-N 0 0 378.230 1.419 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000177702968 530709439 /nfs/dbraw/zinc/70/94/39/530709439.db2.gz CNFNXAAFJHHMGX-QMMMGPOBSA-N 0 0 376.410 1.909 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(Br)cc1-n1cncn1)C(C)C ZINC000179441190 530740519 /nfs/dbraw/zinc/74/05/19/530740519.db2.gz ZTTXNFSRDQCATJ-CYBMUJFWSA-N 0 0 380.246 1.530 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn2cc(Br)cnc12 ZINC000179783531 530749778 /nfs/dbraw/zinc/74/97/78/530749778.db2.gz BDTFFHUZNCSGAQ-LLVKDONJSA-N 0 0 390.245 1.911 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000179846519 530751644 /nfs/dbraw/zinc/75/16/44/530751644.db2.gz WJUSVWZNYBQJDW-CHWSQXEVSA-N 0 0 376.210 1.557 10 0 GDAERN CCc1nnc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2Cl)n1C ZINC000180085344 530757103 /nfs/dbraw/zinc/75/71/03/530757103.db2.gz LKYYHZHZQRVXPM-NSHDSACASA-N 0 0 384.889 1.651 10 0 GDAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000179720644 530748480 /nfs/dbraw/zinc/74/84/80/530748480.db2.gz NQKAHASEJGTOHW-LLVKDONJSA-N 0 0 376.638 1.227 10 0 GDAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000181505339 530784981 /nfs/dbraw/zinc/78/49/81/530784981.db2.gz CKEKVHATYBMGMV-AWEZNQCLSA-N 0 0 386.543 1.440 10 0 GDAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1C ZINC000180348502 530765200 /nfs/dbraw/zinc/76/52/00/530765200.db2.gz XGNHKBDBAGEVEM-JGVFFNPUSA-N 0 0 388.358 1.458 10 0 GDAERN CCOC(=O)C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1cccc(Br)c1 ZINC000182754949 530804184 /nfs/dbraw/zinc/80/41/84/530804184.db2.gz LYBQUHHIEDUIJF-YPMHNXCESA-N 0 0 383.242 1.696 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000181872701 530791950 /nfs/dbraw/zinc/79/19/50/530791950.db2.gz MNPQRLGOEQOHGZ-LLVKDONJSA-N 0 0 380.436 1.803 10 0 GDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Br)cc1F ZINC000185103831 530836929 /nfs/dbraw/zinc/83/69/29/530836929.db2.gz HIKUXDJVFHDWHK-JTQLQIEISA-N 0 0 375.223 1.993 10 0 GDAERN CCOCCOc1ccc(Br)cc1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093884487 530814118 /nfs/dbraw/zinc/81/41/18/530814118.db2.gz NDZGZLLRSVQAPV-ZFWWWQNUSA-N 0 0 385.258 1.694 10 0 GDAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000184313919 530826841 /nfs/dbraw/zinc/82/68/41/530826841.db2.gz UUDNEGJPKCCFJK-VIFPVBQESA-N 0 0 386.417 1.697 10 0 GDAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(Br)cn3)CCO2)c1 ZINC000106196260 530846465 /nfs/dbraw/zinc/84/64/65/530846465.db2.gz XYRASHDLMLRYTK-AWEZNQCLSA-N 0 0 394.273 1.689 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000185793381 530847093 /nfs/dbraw/zinc/84/70/93/530847093.db2.gz WODNSBUDSHLLBZ-SNVBAGLBSA-N 0 0 387.259 1.343 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000185124528 530837251 /nfs/dbraw/zinc/83/72/51/530837251.db2.gz DWKFSEYXZIIJJF-SNVBAGLBSA-N 0 0 378.380 1.413 10 0 GDAERN OC[C@H]1C[C@H](O)CN1Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000185190787 530838127 /nfs/dbraw/zinc/83/81/27/530838127.db2.gz RJEYYKHJEIOJDT-ZJUUUORDSA-N 0 0 377.754 1.262 10 0 GDAERN COCC(=O)NC1CN(C(=O)CSc2ccc(Br)cc2C)C1 ZINC000185245553 530838504 /nfs/dbraw/zinc/83/85/04/530838504.db2.gz WSNXYNDIXVTOJD-UHFFFAOYSA-N 0 0 387.299 1.823 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000185228883 530838726 /nfs/dbraw/zinc/83/87/26/530838726.db2.gz KQBKJPZGEKFMPK-UHFFFAOYSA-N 0 0 393.241 1.222 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2ccccc2Br)C1 ZINC000185654278 530844468 /nfs/dbraw/zinc/84/44/68/530844468.db2.gz PSXRIHAUVSWWGF-NSHDSACASA-N 0 0 384.274 1.537 10 0 GDAERN O=C(c1cc(I)c[nH]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000115380419 530899670 /nfs/dbraw/zinc/89/96/70/530899670.db2.gz VVPULFCHLSAVBP-LLVKDONJSA-N 0 0 386.193 1.357 10 0 GDAERN Cc1nn(C)c(C)c1CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000115580817 530900655 /nfs/dbraw/zinc/90/06/55/530900655.db2.gz OSFYBFOAZZEZAG-UHFFFAOYSA-N 0 0 383.905 1.592 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C2)cn1 ZINC000116229738 530903093 /nfs/dbraw/zinc/90/30/93/530903093.db2.gz XMHVUTHPZUVRHE-JTQLQIEISA-N 0 0 388.902 1.429 10 0 GDAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ncn(C)c3Cl)CC2)cs1 ZINC000116351365 530904552 /nfs/dbraw/zinc/90/45/52/530904552.db2.gz GWBLVUSUUCTBKF-UHFFFAOYSA-N 0 0 389.934 1.735 10 0 GDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)C2)cn1 ZINC000116370864 530904772 /nfs/dbraw/zinc/90/47/72/530904772.db2.gz FTOICCHJUVLSAM-CQSZACIVSA-N 0 0 383.495 1.143 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000189053884 530906558 /nfs/dbraw/zinc/90/65/58/530906558.db2.gz PZYGJBITYOYOOX-UHFFFAOYSA-N 0 0 388.881 1.399 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000189189392 530909655 /nfs/dbraw/zinc/90/96/55/530909655.db2.gz JBSPXCGQJGPIJT-WCBMZHEXSA-N 0 0 377.344 1.946 10 0 GDAERN O=C1CCCN1C[C@@H](O)CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000111686391 530876701 /nfs/dbraw/zinc/87/67/01/530876701.db2.gz TVRPPWDCHCDXFJ-XJKSGUPXSA-N 0 0 383.286 1.806 10 0 GDAERN CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1Br ZINC000112662099 530883163 /nfs/dbraw/zinc/88/31/63/530883163.db2.gz CZMIPJKTKRDZLA-JTQLQIEISA-N 0 0 399.270 1.189 10 0 GDAERN CC(C)(C)n1cc(CN2CCN(C(=O)CSc3nncs3)CC2)cn1 ZINC000113859769 530892058 /nfs/dbraw/zinc/89/20/58/530892058.db2.gz BRKUAYFFRPPSQL-UHFFFAOYSA-N 0 0 380.543 1.926 10 0 GDAERN Cc1cc(N2CCN(C(=O)C(=O)Nc3ccc(Br)nc3)CC2)n[nH]1 ZINC000188341877 530892750 /nfs/dbraw/zinc/89/27/50/530892750.db2.gz WXVZGBKFDWSLBX-UHFFFAOYSA-N 0 0 393.245 1.163 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190384243 530929724 /nfs/dbraw/zinc/92/97/24/530929724.db2.gz CNVHLKLBGFDGGO-CQSZACIVSA-N 0 0 386.543 1.750 10 0 GDAERN CCOCCN1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@@H]1C ZINC000117277199 530912125 /nfs/dbraw/zinc/91/21/25/530912125.db2.gz GOPITHUREZIGSM-NSHDSACASA-N 0 0 397.277 1.070 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000189453774 530913723 /nfs/dbraw/zinc/91/37/23/530913723.db2.gz YELBAWIIYZPQIW-CYBMUJFWSA-N 0 0 398.301 1.611 10 0 GDAERN O=C(Cc1ccccc1I)N1CC(NC(=O)C2CC2)C1 ZINC000189458839 530914195 /nfs/dbraw/zinc/91/41/95/530914195.db2.gz FWYNGVDBAKXEIT-UHFFFAOYSA-N 0 0 384.217 1.571 10 0 GDAERN CN1CCCN(C(=O)COc2ccc(I)cc2)CC1=O ZINC000189761402 530920331 /nfs/dbraw/zinc/92/03/31/530920331.db2.gz LKARZKFKTPYZMB-UHFFFAOYSA-N 0 0 388.205 1.361 10 0 GDAERN Cn1cnnc1[C@H]1CCCN(C(=O)c2ccncc2I)C1 ZINC000119193190 530922988 /nfs/dbraw/zinc/92/29/88/530922988.db2.gz ATLUABBOUHWRDJ-JTQLQIEISA-N 0 0 397.220 1.835 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000119983736 530934511 /nfs/dbraw/zinc/93/45/11/530934511.db2.gz MYNZPJWGHHSREU-JTQLQIEISA-N 0 0 393.246 1.859 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000192031474 530960005 /nfs/dbraw/zinc/96/00/05/530960005.db2.gz AKXKQOWRCKZQSF-CQSZACIVSA-N 0 0 386.233 1.961 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190679944 530935382 /nfs/dbraw/zinc/93/53/82/530935382.db2.gz ZIAZAJVXOIEUSY-SSDOTTSWSA-N 0 0 390.184 1.403 10 0 GDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000120921102 530947186 /nfs/dbraw/zinc/94/71/86/530947186.db2.gz NLOHUEMJGMHWHJ-RBSFLKMASA-N 0 0 386.539 1.373 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000191761300 530954355 /nfs/dbraw/zinc/95/43/55/530954355.db2.gz QCAGWFKTKVWPCP-LLVKDONJSA-N 0 0 382.258 1.306 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1Cl ZINC000122606885 530974014 /nfs/dbraw/zinc/97/40/14/530974014.db2.gz TUWXNCRPHXKOOP-LLVKDONJSA-N 0 0 377.666 1.525 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000193368444 530985359 /nfs/dbraw/zinc/98/53/59/530985359.db2.gz MAFRKCJOMOMAPI-GFCCVEGCSA-N 0 0 397.273 1.024 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)ncc1Br ZINC000193368532 530985431 /nfs/dbraw/zinc/98/54/31/530985431.db2.gz ASLHWPRYHMNFCJ-GFCCVEGCSA-N 0 0 397.273 1.024 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1N1CCOCC1 ZINC000193790330 530993001 /nfs/dbraw/zinc/99/30/01/530993001.db2.gz FFAJSNUMYWHOMN-SKDRFNHKSA-N 0 0 382.379 1.584 10 0 GDAERN C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@@H]1N1CCOCC1 ZINC000124539651 530996855 /nfs/dbraw/zinc/99/68/55/530996855.db2.gz RRGBWUOOVBVYFX-LRDDRELGSA-N 0 0 376.881 1.961 10 0 GDAERN CN(CC(=O)NC[C@@H]1CN(C)CCO1)C(=O)c1ccc(Br)s1 ZINC000194605502 531007159 /nfs/dbraw/zinc/00/71/59/531007159.db2.gz KFZCLJGQNQETDG-SNVBAGLBSA-N 0 0 390.303 1.029 10 0 GDAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000125993569 531013440 /nfs/dbraw/zinc/01/34/40/531013440.db2.gz FEOYHKADMDGBGL-ZDUSSCGKSA-N 0 0 382.511 1.550 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccs1)N1CCC(Cn2cccn2)CC1 ZINC000126304759 531016661 /nfs/dbraw/zinc/01/66/61/531016661.db2.gz RRIURORNNJPSEI-UHFFFAOYSA-N 0 0 382.511 1.552 10 0 GDAERN O=C(c1cc(I)c[nH]1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127213935 531027438 /nfs/dbraw/zinc/02/74/38/531027438.db2.gz DFLGUCIYVSYZNR-JTQLQIEISA-N 0 0 385.209 1.763 10 0 GDAERN CCN1CCO[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000227203670 531032257 /nfs/dbraw/zinc/03/22/57/531032257.db2.gz BLEDPWAYQQHHFF-NSHDSACASA-N 0 0 392.212 1.881 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)CCO2)[nH]1 ZINC000194361396 531004213 /nfs/dbraw/zinc/00/42/13/531004213.db2.gz UAJLPUVJOCYREK-ZIAGYGMSSA-N 0 0 393.241 1.779 10 0 GDAERN C[S@@](=O)Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)ccc1Cl ZINC000130681023 531063033 /nfs/dbraw/zinc/06/30/33/531063033.db2.gz BDAGGYDFPHEJCJ-DJPMOHGLSA-N 0 0 386.901 1.824 10 0 GDAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000246222325 531064898 /nfs/dbraw/zinc/06/48/98/531064898.db2.gz VCYNBCHVTDXXLI-UWVGGRQHSA-N 0 0 383.333 1.586 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000246405323 531066582 /nfs/dbraw/zinc/06/65/82/531066582.db2.gz YMZMFOKDZLTEAF-ZWKOPEQDSA-N 0 0 376.837 1.814 10 0 GDAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccs3)C2)c1 ZINC000128714143 531043628 /nfs/dbraw/zinc/04/36/28/531043628.db2.gz GNIAZCOAZHLCIA-UONOGXRCSA-N 0 0 382.511 1.784 10 0 GDAERN COc1nc(N2CCN([C@H]3CCCCNC3=O)CC2)ncc1Br ZINC000128732640 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1.883 10 0 GDAERN O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000275304678 532285443 /nfs/dbraw/zinc/28/54/43/532285443.db2.gz NHMWJPNTGBHJFJ-LZWOXQAQSA-N 0 0 383.495 1.303 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@H]3OCCN[C@@H]3C2)sc1Br ZINC000404110833 532306017 /nfs/dbraw/zinc/30/60/17/532306017.db2.gz JPRSWWOZBYXPOV-NXEZZACHSA-N 0 0 381.317 1.570 10 0 GDAERN CSCC[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1nnc2ccccn21 ZINC000334162208 209178894 /nfs/dbraw/zinc/17/88/94/209178894.db2.gz PRCBBENSHBQGQT-CQSZACIVSA-N 0 0 394.464 1.929 10 0 GDAERN COc1cccc([C@@H](C)C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 ZINC000328634223 209151027 /nfs/dbraw/zinc/15/10/27/209151027.db2.gz TUPAZDNKWUTDRT-CXAGYDPISA-N 0 0 377.466 1.531 10 0 GDAERN CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCC2(C)CC2)CN1Cc1c[nH]cn1 ZINC000096136684 211306940 /nfs/dbraw/zinc/30/69/40/211306940.db2.gz MDGCNAUIIVPEGH-WBVHZDCISA-N 0 0 375.517 1.918 10 0 GDAERN CC[C@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2)c1ccccn1 ZINC000067676727 211014750 /nfs/dbraw/zinc/01/47/50/211014750.db2.gz RTRYOCWGBCFRMG-NSHDSACASA-N 0 0 381.479 1.917 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)c2cc(Cl)c(S(N)(=O)=O)s2)cc1 ZINC000028090232 210520797 /nfs/dbraw/zinc/52/07/97/210520797.db2.gz RGSTWZQFLAVQHO-UHFFFAOYSA-N 0 0 394.883 1.840 10 0 GDAERN COc1cc(S(=O)(=O)Nc2ccc3c(cnn3C)c2)ccc1-n1cnnn1 ZINC000021523419 210383449 /nfs/dbraw/zinc/38/34/49/210383449.db2.gz TUPCDRJAEIVNPT-UHFFFAOYSA-N 0 0 385.409 1.358 10 0 GDAERN O=C(COc1ccccc1)N[C@@H]1[C@@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@H]1O ZINC000072321821 560077431 /nfs/dbraw/zinc/07/74/31/560077431.db2.gz VVUJBVFXKFDWSY-DTTOXWODSA-N 0 0 396.365 1.873 10 0 biogenic GDAERN Cc1cc(C(=O)N[C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)n(C)n1 ZINC000072321828 560077447 /nfs/dbraw/zinc/07/74/47/560077447.db2.gz TXAZDFYAZPPIAX-PZTHBURQSA-N 0 0 384.358 1.150 10 0 biogenic GDAERN COCCNC(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036347162 570629281 /nfs/dbraw/zinc/62/92/81/570629281.db2.gz FCGMQWOUKYCZCC-IBGZPJMESA-N 0 0 397.560 1.955 10 0 GDAERN COc1ccc(CNC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)cc1OC ZINC000065313803 570795610 /nfs/dbraw/zinc/79/56/10/570795610.db2.gz RWPSHAXAZUBIRF-HNNXBMFYSA-N 0 0 386.452 1.330 10 0 GDAERN CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1)C(N)=O ZINC000224548161 570932814 /nfs/dbraw/zinc/93/28/14/570932814.db2.gz MOIXOFBAXPHGFF-LTFCCEMQSA-N 0 0 383.448 1.646 10 0 GDAERN CC(=O)N[C@@H]1[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1 ZINC000032107104 570960734 /nfs/dbraw/zinc/96/07/34/570960734.db2.gz NXGXFAKJUWEFEC-MCSHHISBSA-N 0 0 399.443 1.908 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000106396493 644613453 /nfs/dbraw/zinc/61/34/53/644613453.db2.gz IASQGPZQQIOSIB-CYBMUJFWSA-N 0 0 376.425 1.212 10 0 GDAERN CCCN(C)S(=O)(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000120680099 644672929 /nfs/dbraw/zinc/67/29/29/644672929.db2.gz LNBUGLQHLJZYMI-UHFFFAOYSA-N 0 0 377.942 1.340 10 0 GDAERN C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccc(Br)cc1 ZINC000126673123 644722429 /nfs/dbraw/zinc/72/24/29/644722429.db2.gz MMUUEWRAYGFIMI-GXFFZTMASA-N 0 0 375.288 1.403 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc(C=O)cc1Br ZINC000173172391 644889131 /nfs/dbraw/zinc/88/91/31/644889131.db2.gz WDFDLHFDLIBRMD-CYBMUJFWSA-N 0 0 383.242 1.720 10 0 GDAERN CC(C)NC(=O)C1CCN(C(=O)c2nn3c(c2Br)OCCC3)CC1 ZINC000223791274 645074922 /nfs/dbraw/zinc/07/49/22/645074922.db2.gz DNWMHXSBCROVFO-UHFFFAOYSA-N 0 0 399.289 1.805 10 0 GDAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000245401851 645091604 /nfs/dbraw/zinc/09/16/04/645091604.db2.gz FZSSVVGRWWFKKW-ZBEGNZNMSA-N 0 0 384.889 1.727 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000301427723 645235049 /nfs/dbraw/zinc/23/50/49/645235049.db2.gz IDTJZQOYNJSQQV-JTQLQIEISA-N 0 0 379.404 1.657 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000371373812 645739865 /nfs/dbraw/zinc/73/98/65/645739865.db2.gz ONXKOANZSOWNSW-WNCDQNTKSA-N 0 0 376.425 1.427 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000372268685 645799558 /nfs/dbraw/zinc/79/95/58/645799558.db2.gz RJHGXBGKYWRNMS-UHFFFAOYSA-N 0 0 388.877 1.074 10 0 GDAERN O=S(=O)(c1cc2c(cc1Br)OCCO2)N1C[C@@H](F)C[C@H]1CO ZINC000372431514 645816167 /nfs/dbraw/zinc/81/61/67/645816167.db2.gz NFSZKRRUNXARAH-IUCAKERBSA-N 0 0 396.234 1.314 10 0 GDAERN CN1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)CC1=O ZINC000681820938 654739391 /nfs/dbraw/zinc/73/93/91/654739391.db2.gz LDVUSTXIJFVWTE-MRVPVSSYSA-N 0 0 381.679 1.859 10 0 GDAERN CC(C)(C)n1ncc(C(=O)N2CCOC[C@H]2CO)c1I ZINC000912415459 660036163 /nfs/dbraw/zinc/03/61/63/660036163.db2.gz IWKBZXHQSHGEMY-SECBINFHSA-N 0 0 393.225 1.076 10 0 GDAERN CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689195560 954641659 /nfs/dbraw/zinc/64/16/59/954641659.db2.gz KNSSUBDXVJWSIS-SJORKVTESA-N 0 0 381.498 1.377 10 0 GDAERN C[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000701837568 954890365 /nfs/dbraw/zinc/89/03/65/954890365.db2.gz LBLZXVMFMAYRIA-PVAVHDDUSA-N 0 0 381.498 1.423 10 0 GDAERN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000716178848 955128887 /nfs/dbraw/zinc/12/88/87/955128887.db2.gz QJBBHUKTKIIVNK-UAGQMJEPSA-N 0 0 381.498 1.280 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000708526708 969034953 /nfs/dbraw/zinc/03/49/53/969034953.db2.gz MCQGQJVBABNMPR-CRAIPNDOSA-N 0 0 395.525 1.386 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000708533242 977434383 /nfs/dbraw/zinc/43/43/83/977434383.db2.gz OUYHZLZTWUNBQQ-ZBFHGGJFSA-N 0 0 391.493 1.770 10 0 GDAERN C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000717565738 977902952 /nfs/dbraw/zinc/90/29/52/977902952.db2.gz MCWHODSDWGZFHO-UHFFFAOYSA-N 0 0 392.481 1.641 10 0 GDAERN O=C(NCCO)c1cn(C2CCN(C/C(Cl)=C/c3ccccc3)CC2)nn1 ZINC000014989991 210141167 /nfs/dbraw/zinc/14/11/67/210141167.db2.gz AUGJRJFJMCPZLN-VBKFSLOCSA-N 0 0 389.887 1.917 10 0 GDAERN O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1cnccn1 ZINC000014967066 210137085 /nfs/dbraw/zinc/13/70/85/210137085.db2.gz XFAPPMRUPNRXOW-ZLHKHBAESA-N 0 0 379.464 1.039 10 0 GDAERN CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000014963044 210132718 /nfs/dbraw/zinc/13/27/18/210132718.db2.gz FXQPZSQWMFSPPA-KRWDZBQOSA-N 0 0 397.878 1.807 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000158970772 530538444 /nfs/dbraw/zinc/53/84/44/530538444.db2.gz COEYGFNNOWMRFP-GFCCVEGCSA-N 0 0 396.245 1.423 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H](C)O1 ZINC000007308110 530544986 /nfs/dbraw/zinc/54/49/86/530544986.db2.gz VAXDJGKQLVLLMX-ZIAGYGMSSA-N 0 0 388.511 1.269 10 0 GDAERN O=C(CSc1cccc(Br)c1)NC[C@@H](O)CN1CCOCC1 ZINC000161610856 530561920 /nfs/dbraw/zinc/56/19/20/530561920.db2.gz PKXVNNZELZYZNM-CYBMUJFWSA-N 0 0 389.315 1.351 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000171461663 530599912 /nfs/dbraw/zinc/59/99/12/530599912.db2.gz KILDOKRLNBRZAG-CYBMUJFWSA-N 0 0 397.269 1.981 10 0 GDAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCNC(=O)CC1 ZINC000171652452 530601408 /nfs/dbraw/zinc/60/14/08/530601408.db2.gz JXRIYXJSQSJWRA-ZDUSSCGKSA-N 0 0 395.301 1.807 10 0 GDAERN Cc1cnn(CCNS(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC000172209580 530609844 /nfs/dbraw/zinc/60/98/44/530609844.db2.gz YZKWWIBEOUPHEV-UHFFFAOYSA-N 0 0 379.667 1.981 10 0 GDAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)[nH]1 ZINC000173739520 530636551 /nfs/dbraw/zinc/63/65/51/530636551.db2.gz HYFHHRUNEPIJSL-LLVKDONJSA-N 0 0 376.360 1.547 10 0 GDAERN O=C(COc1ccc(Br)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000172761978 530617672 /nfs/dbraw/zinc/61/76/72/530617672.db2.gz SOZYVTDIHOIFEA-CYBMUJFWSA-N 0 0 387.249 1.900 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000174732509 530653319 /nfs/dbraw/zinc/65/33/19/530653319.db2.gz ZBUUSFNZGFWFAS-NSHDSACASA-N 0 0 386.221 1.654 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(Br)cn3)C2=O)n(C)n1 ZINC000175018113 530658123 /nfs/dbraw/zinc/65/81/23/530658123.db2.gz NAAAHPRXAQXNTB-ZDUSSCGKSA-N 0 0 392.257 1.811 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000175527931 530666542 /nfs/dbraw/zinc/66/65/42/530666542.db2.gz FTVNBYHXTLCGBM-ZDUSSCGKSA-N 0 0 392.257 1.730 10 0 GDAERN NS(=O)(=O)Cc1cccc(C(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000176422612 530683393 /nfs/dbraw/zinc/68/33/93/530683393.db2.gz CAYJJDULQXJHHN-UHFFFAOYSA-N 0 0 379.507 1.935 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1N1CCOCC1 ZINC000176997989 530695123 /nfs/dbraw/zinc/69/51/23/530695123.db2.gz ICBTUGCPFKHRLX-QWRGUYRKSA-N 0 0 395.344 1.852 10 0 GDAERN C[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1N1CCOCC1 ZINC000177227696 530699697 /nfs/dbraw/zinc/69/96/97/530699697.db2.gz LHZRWJJHKLFGPU-OCCSQVGLSA-N 0 0 383.290 1.435 10 0 GDAERN C[C@@]1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000177334547 530701064 /nfs/dbraw/zinc/70/10/64/530701064.db2.gz RBWUGBMUCAUTNP-SUMWQHHRSA-N 0 0 386.901 1.724 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)[C@@H]1CCCO1 ZINC000055236357 530706182 /nfs/dbraw/zinc/70/61/82/530706182.db2.gz AEEPFGNSXYTLGW-MFKMUULPSA-N 0 0 380.388 1.825 10 0 GDAERN O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177627954 530707191 /nfs/dbraw/zinc/70/71/91/530707191.db2.gz CDMBEJMBQGRCML-VIFPVBQESA-N 0 0 398.648 1.764 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178340450 530719629 /nfs/dbraw/zinc/71/96/29/530719629.db2.gz JVBKCVLTKQCADI-GXTWGEPZSA-N 0 0 376.210 1.557 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178964709 530732930 /nfs/dbraw/zinc/73/29/30/530732930.db2.gz WHOSOCOHPISOBP-CQSZACIVSA-N 0 0 395.301 1.120 10 0 GDAERN Cn1c(CS(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)nnc1C1CC1 ZINC000180073873 530756944 /nfs/dbraw/zinc/75/69/44/530756944.db2.gz ORQCQQFNNPVUHR-UHFFFAOYSA-N 0 0 382.873 1.577 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000180268259 530762087 /nfs/dbraw/zinc/76/20/87/530762087.db2.gz IEESINDGZJUBTR-LBPRGKRZSA-N 0 0 397.204 1.100 10 0 GDAERN CCn1c(N)c(C(=O)CN[C@@H](C)c2cccc(Br)c2)c(=O)[nH]c1=O ZINC000182572641 530801544 /nfs/dbraw/zinc/80/15/44/530801544.db2.gz MKTFJWJJPBYIMX-VIFPVBQESA-N 0 0 395.257 1.435 10 0 GDAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182796015 530804880 /nfs/dbraw/zinc/80/48/80/530804880.db2.gz BHSWHESDEDIIED-ZDUSSCGKSA-N 0 0 378.441 1.408 10 0 GDAERN COc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)nc1Br ZINC000183176128 530810779 /nfs/dbraw/zinc/81/07/79/530810779.db2.gz CJCGHWSMGAQTBF-LLVKDONJSA-N 0 0 380.246 1.997 10 0 GDAERN Cn1cnc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)c1Cl ZINC000183258529 530812700 /nfs/dbraw/zinc/81/27/00/530812700.db2.gz FRBSBCKUIPIPJN-LLVKDONJSA-N 0 0 389.264 1.589 10 0 GDAERN C[C@H](O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183680711 530819115 /nfs/dbraw/zinc/81/91/15/530819115.db2.gz HMTOXPYRJAFXGV-WFASDCNBSA-N 0 0 380.491 1.361 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(OC)ccc1Cl ZINC000097015086 530819830 /nfs/dbraw/zinc/81/98/30/530819830.db2.gz UCTPOYVWVWDSMU-LBPRGKRZSA-N 0 0 386.861 1.900 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000186314637 530855245 /nfs/dbraw/zinc/85/52/45/530855245.db2.gz YVTMSAXIZIZXRG-UHFFFAOYSA-N 0 0 383.235 1.766 10 0 GDAERN C[S@](=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000109920143 530865367 /nfs/dbraw/zinc/86/53/67/530865367.db2.gz XHZCFHSTKJQFAT-SGANQWHYSA-N 0 0 378.519 1.974 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCO[C@@H](c2nccs2)C1 ZINC000110879512 530870497 /nfs/dbraw/zinc/87/04/97/530870497.db2.gz TVXRRXDMTVXXDY-SECBINFHSA-N 0 0 395.242 1.557 10 0 GDAERN NS(=O)(=O)CC1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000104118123 530837323 /nfs/dbraw/zinc/83/73/23/530837323.db2.gz DEXHTLXYWWSNMQ-UHFFFAOYSA-N 0 0 382.873 1.666 10 0 GDAERN COCC(=O)NC1CN(C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000185504940 530843345 /nfs/dbraw/zinc/84/33/45/530843345.db2.gz RWGNPFYSQLLACZ-UHFFFAOYSA-N 0 0 396.285 1.637 10 0 GDAERN Cn1cc(CN2CCCN(S(=O)(=O)Cc3ccc(Cl)nc3)CC2)cn1 ZINC000115581180 530900684 /nfs/dbraw/zinc/90/06/84/530900684.db2.gz ZWIQMRRJDDUBPQ-UHFFFAOYSA-N 0 0 383.905 1.506 10 0 GDAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000116069636 530902536 /nfs/dbraw/zinc/90/25/36/530902536.db2.gz AELMHZNYMCQCGH-JTQLQIEISA-N 0 0 379.276 1.839 10 0 GDAERN O=C(NC1CN(c2ncnc3ccc(I)cc32)C1)C1CC1 ZINC000189161846 530909206 /nfs/dbraw/zinc/90/92/06/530909206.db2.gz PLPWJNICHLILLQ-UHFFFAOYSA-N 0 0 394.216 1.949 10 0 GDAERN O=C(NCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)OCC(F)(F)F ZINC000187648302 530875875 /nfs/dbraw/zinc/87/58/75/530875875.db2.gz JZMWNGBUNQCSHZ-RYUDHWBXSA-N 0 0 380.388 1.961 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000188084543 530884438 /nfs/dbraw/zinc/88/44/38/530884438.db2.gz RGOQRHVYSBWMDV-RISCZKNCSA-N 0 0 394.269 1.539 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C[C@H]1C ZINC000188097519 530885162 /nfs/dbraw/zinc/88/51/62/530885162.db2.gz YUXMNPINDPWMNG-CYBMUJFWSA-N 0 0 398.301 1.875 10 0 GDAERN CN1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1=O ZINC000188167836 530887778 /nfs/dbraw/zinc/88/77/78/530887778.db2.gz LQGBMXXDBIPFTG-GFCCVEGCSA-N 0 0 394.269 1.493 10 0 GDAERN CCc1csc([C@H]2CCCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000113440223 530890253 /nfs/dbraw/zinc/89/02/53/530890253.db2.gz QDHMCQXQQMSHKM-DZGCQCFKSA-N 0 0 385.555 1.530 10 0 GDAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@@H](O)C[C@H]1CO ZINC000188470505 530894990 /nfs/dbraw/zinc/89/49/90/530894990.db2.gz BWUGYCPWRPGDJE-RCBQFDQVSA-N 0 0 398.301 1.413 10 0 GDAERN O=C(c1occc1Br)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119857515 530932520 /nfs/dbraw/zinc/93/25/20/530932520.db2.gz QNWYIMLJSDBJAQ-SNVBAGLBSA-N 0 0 377.260 1.682 10 0 GDAERN CN(CC1CC(O)C1)S(=O)(=O)c1cccc(I)c1 ZINC000190613894 530934092 /nfs/dbraw/zinc/93/40/92/530934092.db2.gz VENARORJFODNAC-UHFFFAOYSA-N 0 0 381.235 1.683 10 0 GDAERN COCCN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000117290236 530911889 /nfs/dbraw/zinc/91/18/89/530911889.db2.gz XZJHTRMIQAFHNZ-GFCCVEGCSA-N 0 0 388.295 1.902 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3ncc(Br)s3)CC2)cn1 ZINC000189348064 530912377 /nfs/dbraw/zinc/91/23/77/530912377.db2.gz OHKABVBCXFBUKA-UHFFFAOYSA-N 0 0 384.303 1.987 10 0 GDAERN O=C(NC1CN(C(=O)c2ccc(Br)cc2-n2cncn2)C1)C1CC1 ZINC000189422548 530913026 /nfs/dbraw/zinc/91/30/26/530913026.db2.gz VZYCKMHEKQBMHH-UHFFFAOYSA-N 0 0 390.241 1.380 10 0 GDAERN Cn1nc(Br)cc1C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000192187210 530964335 /nfs/dbraw/zinc/96/43/35/530964335.db2.gz HRJASOZKWOLZHM-ZYHUDNBSSA-N 0 0 381.274 1.798 10 0 GDAERN C[C@@H](CNC(=O)c1c(F)cccc1I)N1CCOCC1 ZINC000121910536 530964316 /nfs/dbraw/zinc/96/43/16/530964316.db2.gz GTSBRWDIXJISPW-JTQLQIEISA-N 0 0 392.212 1.881 10 0 GDAERN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120107355 530935546 /nfs/dbraw/zinc/93/55/46/530935546.db2.gz NYVKCONGPHPLRJ-GFCCVEGCSA-N 0 0 377.388 1.741 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000120174436 530937203 /nfs/dbraw/zinc/93/72/03/530937203.db2.gz NLDRESJHSDFWMV-SNVBAGLBSA-N 0 0 385.205 1.449 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)C(N)=O ZINC000190985461 530941478 /nfs/dbraw/zinc/94/14/78/530941478.db2.gz IHEGXOSAJOZSQO-JTQLQIEISA-N 0 0 378.173 1.292 10 0 GDAERN O=C(Nc1ccc(F)cc1I)C(=O)N1CCC[C@@H]1CO ZINC000121170864 530951076 /nfs/dbraw/zinc/95/10/76/530951076.db2.gz RIDPOEJGUHIEKG-SECBINFHSA-N 0 0 392.168 1.352 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000121283637 530953236 /nfs/dbraw/zinc/95/32/36/530953236.db2.gz LVFDAXURQUPCTI-ZDUSSCGKSA-N 0 0 382.258 1.823 10 0 GDAERN O=C(c1cncc(I)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000122814205 530976444 /nfs/dbraw/zinc/97/64/44/530976444.db2.gz 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/nfs/dbraw/zinc/01/78/21/531017821.db2.gz VOZXIPRUBMPICD-ZDUSSCGKSA-N 0 0 394.225 1.786 10 0 GDAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1csc(I)c1 ZINC000127573036 531031657 /nfs/dbraw/zinc/03/16/57/531031657.db2.gz XPIWNXXDNPSEPC-NSHDSACASA-N 0 0 392.262 1.946 10 0 GDAERN O=C1CN(S(=O)(=O)c2ccc(Br)s2)[C@@H]2CCCC[C@H]2N1 ZINC000246144778 531064654 /nfs/dbraw/zinc/06/46/54/531064654.db2.gz YGKNBRRMNAHVHB-RKDXNWHRSA-N 0 0 379.301 1.942 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000246210044 531065000 /nfs/dbraw/zinc/06/50/00/531065000.db2.gz RNONTUJTCJUCJX-VXGBXAGGSA-N 0 0 387.893 1.250 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@H]1N1CCOCC1 ZINC000246527419 531067097 /nfs/dbraw/zinc/06/70/97/531067097.db2.gz RRGBWUOOVBVYFX-MLGOLLRUSA-N 0 0 376.881 1.961 10 0 GDAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128087360 531037455 /nfs/dbraw/zinc/03/74/55/531037455.db2.gz IIJGMUMGLBSQEW-RDJZCZTQSA-N 0 0 399.329 1.827 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1N1CCOCC1 ZINC000246592991 531068046 /nfs/dbraw/zinc/06/80/46/531068046.db2.gz VGJCGMJFIYYRHK-CHWSQXEVSA-N 0 0 384.889 1.329 10 0 GDAERN NC(=O)c1c(F)cc(Br)cc1N1CCO[C@@H](Cn2cccn2)C1 ZINC000129183694 531048893 /nfs/dbraw/zinc/04/88/93/531048893.db2.gz FJXIIZVKWYTXQH-LLVKDONJSA-N 0 0 383.221 1.789 10 0 GDAERN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000130274225 531059438 /nfs/dbraw/zinc/05/94/38/531059438.db2.gz MOSGSTHOXNZPNK-GFCCVEGCSA-N 0 0 395.253 1.924 10 0 GDAERN O=S1(=O)CC[C@H](N(Cc2noc(-c3ccsc3)n2)C[C@H]2CCCO2)C1 ZINC000247298139 531073328 /nfs/dbraw/zinc/07/33/28/531073328.db2.gz OPLGAXMIGXVQTP-UONOGXRCSA-N 0 0 383.495 1.966 10 0 GDAERN CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132461305 531080506 /nfs/dbraw/zinc/08/05/06/531080506.db2.gz FEURCMWEFKDKLM-ZBFHGGJFSA-N 0 0 399.329 1.827 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C ZINC000248736227 531082184 /nfs/dbraw/zinc/08/21/84/531082184.db2.gz KWEUGZABNLLJNG-MKBNYLNASA-N 0 0 383.286 1.666 10 0 GDAERN Cc1noc([C@H]2COCCN2C[C@@H](O)COc2cccc(Br)c2)n1 ZINC000249278894 531085669 /nfs/dbraw/zinc/08/56/69/531085669.db2.gz FMTBUBOMFGRREK-UKRRQHHQSA-N 0 0 398.257 1.954 10 0 GDAERN C[C@H]1OCC[C@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000135166038 531107247 /nfs/dbraw/zinc/10/72/47/531107247.db2.gz LOKXZUOCUDXXGR-NOZJJQNGSA-N 0 0 381.226 1.729 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000151392728 531136925 /nfs/dbraw/zinc/13/69/25/531136925.db2.gz GTDLLNWUWBKBBM-SECBINFHSA-N 0 0 378.185 1.491 10 0 GDAERN Cc1noc(C)c1CN1CCN(c2nc3nc(-c4ccco4)nn3c(N)n2)CC1 ZINC000013581796 210068678 /nfs/dbraw/zinc/06/86/78/210068678.db2.gz FVJXVRHNTAPHCR-UHFFFAOYSA-N 0 0 395.427 1.289 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000153254705 531165093 /nfs/dbraw/zinc/16/50/93/531165093.db2.gz RLJOCPDIDOIFPH-JTQLQIEISA-N 0 0 390.665 1.488 10 0 GDAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)n1 ZINC000153611960 531170208 /nfs/dbraw/zinc/17/02/08/531170208.db2.gz MGIOJVVKAQRIPN-VIFPVBQESA-N 0 0 386.865 1.076 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)cn1 ZINC000154127171 531178071 /nfs/dbraw/zinc/17/80/71/531178071.db2.gz JJNCNQCFHUVYJQ-SNVBAGLBSA-N 0 0 378.230 1.532 10 0 GDAERN O=C(NCCc1ccc(F)c(Br)c1)C1CC2(C1)NC(=O)NC2=O ZINC000155582983 531201579 /nfs/dbraw/zinc/20/15/79/531201579.db2.gz WCRPSPQWKIXXPW-UHFFFAOYSA-N 0 0 384.205 1.235 10 0 GDAERN CC1(C)CN(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CCO1 ZINC000408027811 531211482 /nfs/dbraw/zinc/21/14/82/531211482.db2.gz MSUAOQNSXOOPAO-DOMZBBRYSA-N 0 0 376.425 1.428 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000408041967 531214787 /nfs/dbraw/zinc/21/47/87/531214787.db2.gz JCIUOMJQYFJFSI-KRWDZBQOSA-N 0 0 385.917 1.419 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000264969254 531217567 /nfs/dbraw/zinc/21/75/67/531217567.db2.gz OYVATKUGUPOSCO-LBPRGKRZSA-N 0 0 385.287 1.951 10 0 GDAERN CS(=O)(=O)c1cccc(Br)c1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408105471 531218307 /nfs/dbraw/zinc/21/83/07/531218307.db2.gz UKGFIPAJCLDDHD-HNNXBMFYSA-N 0 0 387.299 1.959 10 0 GDAERN COC(=O)[C@H]1CSCN1S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000408204325 531225212 /nfs/dbraw/zinc/22/52/12/531225212.db2.gz GXISLWRJCBHJAO-ZIAGYGMSSA-N 0 0 390.527 1.045 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000408337106 531233532 /nfs/dbraw/zinc/23/35/32/531233532.db2.gz SRWVJQACTJPPBK-PBHICJAKSA-N 0 0 387.523 1.796 10 0 GDAERN Cc1oc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1S(=O)(=O)N(C)C ZINC000408399489 531237676 /nfs/dbraw/zinc/23/76/76/531237676.db2.gz HXZVEMAWAKQRKW-CYBMUJFWSA-N 0 0 384.376 1.368 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C[C@H](C)O1 ZINC000408428856 531240616 /nfs/dbraw/zinc/24/06/16/531240616.db2.gz GVMKCQXOGQTEQD-IUCAKERBSA-N 0 0 377.260 1.346 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000408447558 531242522 /nfs/dbraw/zinc/24/25/22/531242522.db2.gz YJHSBNDFCYIASW-RDJZCZTQSA-N 0 0 375.535 1.429 10 0 GDAERN O=S(=O)(N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000280549549 531511864 /nfs/dbraw/zinc/51/18/64/531511864.db2.gz TVYVUNJBLICFNF-BXUZGUMPSA-N 0 0 380.388 1.390 10 0 GDAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284859345 531998198 /nfs/dbraw/zinc/99/81/98/531998198.db2.gz XXKRGNOLCVAECC-RKDXNWHRSA-N 0 0 379.251 1.639 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1Cl ZINC000284894552 532003181 /nfs/dbraw/zinc/00/31/81/532003181.db2.gz FWDKHUHQIZOPBE-HOTGVXAUSA-N 0 0 387.889 1.392 10 0 GDAERN CCOc1ccnc(N2CCN(c3cnn(C)c(=O)c3Br)CC2)n1 ZINC000301268521 532031385 /nfs/dbraw/zinc/03/13/85/532031385.db2.gz XBZONEBBUKZDCT-UHFFFAOYSA-N 0 0 395.261 1.058 10 0 GDAERN Cn1ncc(N2CCC[C@H]2C(=O)N2CCSCC2)c(Br)c1=O ZINC000301259264 532031592 /nfs/dbraw/zinc/03/15/92/532031592.db2.gz LBGCBWYZLPCEJH-JTQLQIEISA-N 0 0 387.303 1.087 10 0 GDAERN C[C@H]1CN(C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000329224959 532098924 /nfs/dbraw/zinc/09/89/24/532098924.db2.gz CSXDQMRKQNEKDX-LBPRGKRZSA-N 0 0 389.568 1.262 10 0 GDAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000329294362 532102642 /nfs/dbraw/zinc/10/26/42/532102642.db2.gz JRESWOWJRXKWJA-FOCJUVANSA-N 0 0 377.528 1.219 10 0 GDAERN COc1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)ccc1Br ZINC000329902808 532109965 /nfs/dbraw/zinc/10/99/65/532109965.db2.gz HXINOBWNJDVDEE-TZMCWYRMSA-N 0 0 391.287 1.161 10 0 GDAERN C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ncc(Br)cn1 ZINC000329253369 532099941 /nfs/dbraw/zinc/09/99/41/532099941.db2.gz ZDCWXMHUXHIOMC-DRCTWCGVSA-N 0 0 379.262 1.595 10 0 GDAERN CC(C)c1nnc([C@H]2COCCN2S(=O)(=O)c2c(Cl)cnn2C)o1 ZINC000330227299 532118401 /nfs/dbraw/zinc/11/84/01/532118401.db2.gz BXWQPAOGOGCRLJ-SNVBAGLBSA-N 0 0 375.838 1.342 10 0 GDAERN C[C@@H]1CCS(=O)(=O)CCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000330348107 532119947 /nfs/dbraw/zinc/11/99/47/532119947.db2.gz IJRNCGUKYBPHCE-WWGRRREGSA-N 0 0 377.528 1.221 10 0 GDAERN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1I ZINC000286470720 532152972 /nfs/dbraw/zinc/15/29/72/532152972.db2.gz VMAHNYXVQZNROK-OLZOCXBDSA-N 0 0 399.232 1.838 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CCCc3cc(Cl)cc(C)c32)N(S(C)(=O)=O)C1 ZINC000333599338 532241808 /nfs/dbraw/zinc/24/18/08/532241808.db2.gz UWDRSAWLGBRIKF-LSDHHAIUSA-N 0 0 386.901 1.977 10 0 GDAERN CNC(=O)CSc1nnc2n1c1ccccc1c(=O)n2-c1ccc(OC)cc1 ZINC000004269275 209474553 /nfs/dbraw/zinc/47/45/53/209474553.db2.gz CSIJYSLQGZRNSB-UHFFFAOYSA-N 0 0 395.444 1.880 10 0 GDAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)C1=O ZINC000328612318 209146843 /nfs/dbraw/zinc/14/68/43/209146843.db2.gz OJNIJMHWNBEJQI-CQSZACIVSA-N 0 0 384.408 1.313 10 0 GDAERN COC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2cc[nH]n2)c1 ZINC000097655555 211369408 /nfs/dbraw/zinc/36/94/08/211369408.db2.gz KZTSTYIMEJPVMO-HNNXBMFYSA-N 0 0 378.454 1.139 10 0 GDAERN COc1ncc(I)c(N)c1I ZINC000095626746 211282588 /nfs/dbraw/zinc/28/25/88/211282588.db2.gz AULPCJJVTQUIMH-UHFFFAOYSA-N 0 0 375.935 1.882 10 0 GDAERN Cc1c([C@@H](C)NC(=O)C2CCN(CC(N)=O)CC2)cnn1-c1ccccc1C ZINC000091325781 211190849 /nfs/dbraw/zinc/19/08/49/211190849.db2.gz OLYRWTMDUFROLF-OAHLLOKOSA-N 0 0 383.496 1.864 10 0 GDAERN Cc1cc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)no1 ZINC000021153697 210377710 /nfs/dbraw/zinc/37/77/10/210377710.db2.gz RFZINTNEFAQCTQ-UHFFFAOYSA-N 0 0 392.441 1.397 10 0 GDAERN COCCn1cc(C(=O)N2CCN(C)CC2)c2c3ccccc3n(C)c2c1=O ZINC000020138795 210318309 /nfs/dbraw/zinc/31/83/09/210318309.db2.gz VWXCEHHIUPRJME-UHFFFAOYSA-N 0 0 382.464 1.527 10 0 GDAERN Cc1ccc(CC(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)cc1 ZINC000064578863 136157018 /nfs/dbraw/zinc/15/70/18/136157018.db2.gz KGIADVFLANLXPY-UHFFFAOYSA-N 0 0 377.448 1.528 10 0 GDAERN CC[NH+]1CCN([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536960774 570471108 /nfs/dbraw/zinc/47/11/08/570471108.db2.gz XVMSLOKMUMJYAM-ZWKOTPCHSA-N 0 0 375.469 1.736 10 0 GDAERN CCCN(Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@@H](O)COC ZINC000036207269 570569111 /nfs/dbraw/zinc/56/91/11/570569111.db2.gz MIQMWXNGCQBVDV-GFCCVEGCSA-N 0 0 397.497 1.689 10 0 GDAERN Cn1ccnc(N2CCC[C@H](N[C@@H](C(=O)NC3CC3)c3ccccc3)C2)c1=O ZINC000275359205 570691045 /nfs/dbraw/zinc/69/10/45/570691045.db2.gz ATZHSORTTKLGPI-ZWKOTPCHSA-N 0 0 381.480 1.359 10 0 GDAERN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NC2CC2)CC3)CC1 ZINC000065273685 570779664 /nfs/dbraw/zinc/77/96/64/570779664.db2.gz VEFGVAYVYVCGCD-ZDUSSCGKSA-N 0 0 376.526 1.831 10 0 GDAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249474727 570894547 /nfs/dbraw/zinc/89/45/47/570894547.db2.gz TYAHHBICUQCPTQ-WMLDXEAASA-N 0 0 397.522 1.693 10 0 GDAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1c2ccccc2C(=O)N2CCCC[C@H]2C1=O ZINC000106433605 570963651 /nfs/dbraw/zinc/96/36/51/570963651.db2.gz NOWBLZLCSWCLAG-VKJFTORMSA-N 0 0 385.464 1.712 10 0 GDAERN CC(=O)N1CCC[C@@H]1c1nc(C2CN(S(=O)(=O)c3cccs3)C2)no1 ZINC000169782997 644868432 /nfs/dbraw/zinc/86/84/32/644868432.db2.gz BHTVPPFSFMKPLL-GFCCVEGCSA-N 0 0 382.467 1.603 10 0 GDAERN CC(C)N(CCS(C)(=O)=O)C[C@H](O)COc1cccc(Br)c1 ZINC000178999702 644930332 /nfs/dbraw/zinc/93/03/32/644930332.db2.gz WWFGJOWINOCILD-AWEZNQCLSA-N 0 0 394.331 1.944 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)c1cccc(Br)c1 ZINC000195426886 645069951 /nfs/dbraw/zinc/06/99/51/645069951.db2.gz FBIUYUCJFSAPDU-LBPRGKRZSA-N 0 0 389.275 1.665 10 0 GDAERN C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)N1CCOC[C@@H]1C ZINC000301437186 645235250 /nfs/dbraw/zinc/23/52/50/645235250.db2.gz MYGOXAJKRWOHMU-QWRGUYRKSA-N 0 0 381.420 1.874 10 0 GDAERN Cn1ncc(I)c1CN1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000894604610 658590513 /nfs/dbraw/zinc/59/05/13/658590513.db2.gz PUYJKXBBPBVLPN-GFCCVEGCSA-N 0 0 386.241 1.237 10 0 GDAERN CN1C[C@@H]2[C@@H](CCCN2C(=O)c2nscc2I)C1=O ZINC000908099127 659870016 /nfs/dbraw/zinc/87/00/16/659870016.db2.gz ZKXYKIGTKIXPNG-VXNVDRBHSA-N 0 0 391.234 1.441 10 0 GDAERN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCOC[C@H]1CO ZINC000912422764 660036603 /nfs/dbraw/zinc/03/66/03/660036603.db2.gz RWGQHBGWMZMGOA-VXGBXAGGSA-N 0 0 383.242 1.022 10 0 GDAERN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000716172200 977810344 /nfs/dbraw/zinc/81/03/44/977810344.db2.gz FHENZMJTBAZLOH-SUMWQHHRSA-N 0 0 377.466 1.902 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)C1CC1 ZINC000717975994 977926491 /nfs/dbraw/zinc/92/64/91/977926491.db2.gz GFDJCHFLWZDLML-OKZBNKHCSA-N 0 0 375.469 1.374 10 0 GDAERN CN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccc(F)cc1 ZINC000015937019 210179863 /nfs/dbraw/zinc/17/98/63/210179863.db2.gz NFVGBVKJSAVFII-UHFFFAOYSA-N 0 0 382.395 1.705 10 0 GDAERN CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000014743099 210125242 /nfs/dbraw/zinc/12/52/42/210125242.db2.gz SKTZOQGLIRTIBV-UHFFFAOYSA-N 0 0 393.513 1.273 10 0 GDAERN O=C(NCCc1nnc2n1CCCC2)c1ccncc1I ZINC000166364019 530582940 /nfs/dbraw/zinc/58/29/40/530582940.db2.gz RUMUHENAVRHANF-UHFFFAOYSA-N 0 0 397.220 1.587 10 0 GDAERN CN(C(=O)c1csc(S(C)(=O)=O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000163162623 530573619 /nfs/dbraw/zinc/57/36/19/530573619.db2.gz UTDRFFPWSGLCDS-CYBMUJFWSA-N 0 0 380.495 1.683 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Br)cnc1Cl ZINC000172103843 530608051 /nfs/dbraw/zinc/60/80/51/530608051.db2.gz IDDSTOVZUNZQOA-MRVPVSSYSA-N 0 0 392.666 1.382 10 0 GDAERN CCc1nnc(Cn2cnc3ccc(I)cc3c2=O)n1C ZINC000172069686 530608095 /nfs/dbraw/zinc/60/80/95/530608095.db2.gz YKJPFWZBOIJAQM-UHFFFAOYSA-N 0 0 395.204 1.740 10 0 GDAERN CS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@H](c3nccs3)C2)CC1 ZINC000172227964 530610548 /nfs/dbraw/zinc/61/05/48/530610548.db2.gz LDROPRDLUGKWGG-AWEZNQCLSA-N 0 0 386.543 1.704 10 0 GDAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000172411802 530613186 /nfs/dbraw/zinc/61/31/86/530613186.db2.gz MSZRJRFRGHXTQZ-LLVKDONJSA-N 0 0 383.861 1.131 10 0 GDAERN CCc1nnc(CSc2nnc(-c3cncc(Br)c3)n2N)n1C ZINC000172525349 530613959 /nfs/dbraw/zinc/61/39/59/530613959.db2.gz TVYBNMQOJKYTQK-UHFFFAOYSA-N 0 0 395.290 1.800 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@H](C)O1 ZINC000026990775 530587253 /nfs/dbraw/zinc/58/72/53/530587253.db2.gz DUISVJMNPXIIRN-IUCAKERBSA-N 0 0 377.260 1.346 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173735329 530635429 /nfs/dbraw/zinc/63/54/29/530635429.db2.gz JIINXGQQGCFQGK-JTQLQIEISA-N 0 0 378.241 1.577 10 0 GDAERN COc1ccc(Br)cc1S(=O)(=O)Cc1nnnn1C(C)C ZINC000172876012 530618507 /nfs/dbraw/zinc/61/85/07/530618507.db2.gz FHCMTCGEHNYZOY-UHFFFAOYSA-N 0 0 375.248 1.999 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000177135091 530697938 /nfs/dbraw/zinc/69/79/38/530697938.db2.gz NDDODFMWEJHOMG-SECBINFHSA-N 0 0 387.205 1.938 10 0 GDAERN O=C(CNC(=O)N[C@H]1CCCn2ncnc21)Nc1ccc(Br)cc1 ZINC000177322705 530701049 /nfs/dbraw/zinc/70/10/49/530701049.db2.gz LRBJRPMSCWJOLV-LBPRGKRZSA-N 0 0 393.245 1.813 10 0 GDAERN C[C@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)[C@H]1CCCO1 ZINC000055236366 530706245 /nfs/dbraw/zinc/70/62/45/530706245.db2.gz AEEPFGNSXYTLGW-GXFFZTMASA-N 0 0 380.388 1.825 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c(Br)n1 ZINC000179808682 530750422 /nfs/dbraw/zinc/75/04/22/530750422.db2.gz BVPPSPQUNDWLKP-NSHDSACASA-N 0 0 393.245 1.546 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000180224901 530760579 /nfs/dbraw/zinc/76/05/79/530760579.db2.gz IYLTUFFSVLJEQU-LBPRGKRZSA-N 0 0 384.223 1.959 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(I)cc1Cl ZINC000180212124 530760793 /nfs/dbraw/zinc/76/07/93/530760793.db2.gz KNCGBRQRFPJADU-SNVBAGLBSA-N 0 0 394.596 1.271 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1I ZINC000180219168 530760957 /nfs/dbraw/zinc/76/09/57/530760957.db2.gz HDGZFMSQHGBDBG-JTQLQIEISA-N 0 0 394.596 1.271 10 0 GDAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181026499 530776357 /nfs/dbraw/zinc/77/63/57/530776357.db2.gz HICUFZHOMHMHNZ-CQSZACIVSA-N 0 0 383.235 1.814 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)N[C@H](C)C[S@](C)=O)CC1 ZINC000182563193 530801581 /nfs/dbraw/zinc/80/15/81/530801581.db2.gz HBMKAGAEWVKODN-YDBLSZJJSA-N 0 0 389.953 1.230 10 0 GDAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)c2ccc(Br)o2)n1 ZINC000182086194 530794289 /nfs/dbraw/zinc/79/42/89/530794289.db2.gz CENQOFLQCKQHTN-VIFPVBQESA-N 0 0 399.201 1.063 10 0 GDAERN Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884246 530814045 /nfs/dbraw/zinc/81/40/45/530814045.db2.gz DWHVCBLSDOJCKK-HUUCEWRRSA-N 0 0 377.242 1.772 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Br)s2)n1 ZINC000183744818 530820027 /nfs/dbraw/zinc/82/00/27/530820027.db2.gz CNRSJDLBZPVBGM-MRVPVSSYSA-N 0 0 394.272 1.964 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(Br)c2)n1 ZINC000183744749 530820252 /nfs/dbraw/zinc/82/02/52/530820252.db2.gz MJFWLBOCYXDUHS-LBPRGKRZSA-N 0 0 388.243 1.903 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000098113344 530823080 /nfs/dbraw/zinc/82/30/80/530823080.db2.gz GHAVLPCRSXWMQG-SNVBAGLBSA-N 0 0 387.914 1.948 10 0 GDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccc(Br)cn1 ZINC000106191148 530847038 /nfs/dbraw/zinc/84/70/38/530847038.db2.gz VRHYCPHWHIPDML-ZDUSSCGKSA-N 0 0 380.246 1.380 10 0 GDAERN C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000186142609 530852478 /nfs/dbraw/zinc/85/24/78/530852478.db2.gz RYLKPAQRBNWTGK-JTQLQIEISA-N 0 0 390.303 1.701 10 0 GDAERN C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)c1cccc(Br)c1 ZINC000108442527 530857079 /nfs/dbraw/zinc/85/70/79/530857079.db2.gz SZUMGXBNULAESO-SNVBAGLBSA-N 0 0 383.246 1.751 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3ccc(Br)cn3)CC2)cn1 ZINC000109658000 530863523 /nfs/dbraw/zinc/86/35/23/530863523.db2.gz DPXZAMXTINULKB-UHFFFAOYSA-N 0 0 378.274 1.926 10 0 GDAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000109976042 530865929 /nfs/dbraw/zinc/86/59/29/530865929.db2.gz VGHDMOLYCFZQNO-KGLIPLIRSA-N 0 0 394.269 1.449 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCO[C@H](c2nccs2)C1 ZINC000110879510 530870733 /nfs/dbraw/zinc/87/07/33/530870733.db2.gz TVXRRXDMTVXXDY-VIFPVBQESA-N 0 0 395.242 1.557 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000185301710 530840282 /nfs/dbraw/zinc/84/02/82/530840282.db2.gz YXOISKSRLVGUBO-UHFFFAOYSA-N 0 0 383.235 1.766 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000185353080 530841063 /nfs/dbraw/zinc/84/10/63/530841063.db2.gz WEUOFFDMPRBYSR-AWEZNQCLSA-N 0 0 382.258 1.593 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)s1)NC[C@@H](O)Cc1ccccc1 ZINC000104913664 530841719 /nfs/dbraw/zinc/84/17/19/530841719.db2.gz WDUCWDNJDNEOBC-LBPRGKRZSA-N 0 0 397.294 1.960 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000188844019 530902571 /nfs/dbraw/zinc/90/25/71/530902571.db2.gz QAGSZTOTUNBSFH-LLVKDONJSA-N 0 0 377.242 1.985 10 0 GDAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000116069639 530902604 /nfs/dbraw/zinc/90/26/04/530902604.db2.gz AELMHZNYMCQCGH-SNVBAGLBSA-N 0 0 379.276 1.839 10 0 GDAERN Cc1nc(CN2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cs1 ZINC000116351410 530904769 /nfs/dbraw/zinc/90/47/69/530904769.db2.gz RAVCIXLELHTHIU-UHFFFAOYSA-N 0 0 383.543 1.698 10 0 GDAERN Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CC2)n[nH]1 ZINC000189180938 530908860 /nfs/dbraw/zinc/90/88/60/530908860.db2.gz PBJPFFSSSWTZAC-UHFFFAOYSA-N 0 0 375.376 1.643 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000189216337 530909896 /nfs/dbraw/zinc/90/98/96/530909896.db2.gz ZKNXIKBVOIHPRX-ZKYQVNSYSA-N 0 0 385.258 1.314 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(I)c(F)c1 ZINC000112654627 530883547 /nfs/dbraw/zinc/88/35/47/530883547.db2.gz SMJCVCSOPDSBFY-SECBINFHSA-N 0 0 386.168 1.767 10 0 GDAERN CN(CC(=O)N[C@H]1CCc2ncnn2C1)C(=O)c1ccc(Br)s1 ZINC000112653041 530883609 /nfs/dbraw/zinc/88/36/09/530883609.db2.gz KEOYXEYPXIJKGI-VIFPVBQESA-N 0 0 398.286 1.305 10 0 GDAERN CN1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1=O ZINC000188163473 530887259 /nfs/dbraw/zinc/88/72/59/530887259.db2.gz BIRPTPWKSVNKHW-UHFFFAOYSA-N 0 0 378.226 1.595 10 0 GDAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000113298672 530889227 /nfs/dbraw/zinc/88/92/27/530889227.db2.gz RWKVPMYJRGAPRD-SECBINFHSA-N 0 0 387.824 1.322 10 0 GDAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114818546 530897198 /nfs/dbraw/zinc/89/71/98/530897198.db2.gz HBNOJIBMCJLFMV-ZDUSSCGKSA-N 0 0 380.495 1.880 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000190472563 530930749 /nfs/dbraw/zinc/93/07/49/530930749.db2.gz GLOIZKZVJBFOQI-HNNXBMFYSA-N 0 0 394.269 1.401 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000117522046 530912367 /nfs/dbraw/zinc/91/23/67/530912367.db2.gz MVUQMHRZCSBCMY-CYBMUJFWSA-N 0 0 398.301 1.957 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1C ZINC000117369818 530912506 /nfs/dbraw/zinc/91/25/06/530912506.db2.gz HCQLQKBEKJPPCS-LLVKDONJSA-N 0 0 395.294 1.929 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000189470075 530913944 /nfs/dbraw/zinc/91/39/44/530913944.db2.gz IKZHBZRFMOMITR-AWEZNQCLSA-N 0 0 398.301 1.611 10 0 GDAERN CCOc1ccnc(N2CCN(S(=O)(=O)CCc3cccs3)CC2)n1 ZINC000189615512 530918219 /nfs/dbraw/zinc/91/82/19/530918219.db2.gz ZIBSLRVSPFXBFG-UHFFFAOYSA-N 0 0 382.511 1.631 10 0 GDAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000189968139 530923038 /nfs/dbraw/zinc/92/30/38/530923038.db2.gz DDHHXLKZSIEPAX-VIFPVBQESA-N 0 0 389.250 1.781 10 0 GDAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCc2cccc(Cl)c2)cn1 ZINC000189957491 530923371 /nfs/dbraw/zinc/92/33/71/530923371.db2.gz LQCXTPGWBNJEKI-OAHLLOKOSA-N 0 0 382.873 1.755 10 0 GDAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2ncnc3c2c(Br)nn3C)C1 ZINC000190084562 530925388 /nfs/dbraw/zinc/92/53/88/530925388.db2.gz 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ZINC000120671535 530944032 /nfs/dbraw/zinc/94/40/32/530944032.db2.gz XFDUNWWNHVPDRD-STQMWFEESA-N 0 0 380.388 1.567 10 0 GDAERN CCc1cnc(CCNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000120923518 530947122 /nfs/dbraw/zinc/94/71/22/530947122.db2.gz YXEMETHYOSPIEA-AWEZNQCLSA-N 0 0 386.543 1.458 10 0 GDAERN Cn1nc(Br)cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000191905470 530956751 /nfs/dbraw/zinc/95/67/51/530956751.db2.gz ZYYQDAQBNGELSQ-JTQLQIEISA-N 0 0 384.255 1.831 10 0 GDAERN COCCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000192739621 530973480 /nfs/dbraw/zinc/97/34/80/530973480.db2.gz JHCXXQCLRXVTJI-HNNXBMFYSA-N 0 0 380.491 1.626 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000123159534 530980382 /nfs/dbraw/zinc/98/03/82/530980382.db2.gz QJYVFNFNOXHYKF-LLVKDONJSA-N 0 0 390.184 1.403 10 0 GDAERN CCc1nc(NC(=O)C(=O)N2CCN(c3cccs3)C(=O)C2)sc1C ZINC000193298039 530983375 /nfs/dbraw/zinc/98/33/75/530983375.db2.gz RKMIRIWPVHNIOX-UHFFFAOYSA-N 0 0 378.479 1.889 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000193334245 530984168 /nfs/dbraw/zinc/98/41/68/530984168.db2.gz RZWDRIBDMIUZMJ-HZPDHXFCSA-N 0 0 395.297 1.921 10 0 GDAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cnn(CC(F)F)c3)CCO2)n1 ZINC000193952007 530996281 /nfs/dbraw/zinc/99/62/81/530996281.db2.gz AQIRDWHCWHPASE-NSHDSACASA-N 0 0 378.426 1.675 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1cccc(Br)c1 ZINC000123655133 530986157 /nfs/dbraw/zinc/98/61/57/530986157.db2.gz JFOBNPKDEHURFB-JTQLQIEISA-N 0 0 378.226 1.964 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000193563093 530989125 /nfs/dbraw/zinc/98/91/25/530989125.db2.gz URHWRFNJGPEDIV-ZDUSSCGKSA-N 0 0 391.225 1.858 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000194830409 531010582 /nfs/dbraw/zinc/01/05/82/531010582.db2.gz TWDMRSWEJVZALR-CQSZACIVSA-N 0 0 379.869 1.643 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000125969878 531013554 /nfs/dbraw/zinc/01/35/54/531013554.db2.gz 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C[C@@H]1C[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)CN1Cc1ccccc1 ZINC000246691102 531068899 /nfs/dbraw/zinc/06/88/99/531068899.db2.gz YPJUJHGPBAZFPN-PVAVHDDUSA-N 0 0 382.551 1.686 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](N4CCOCC4)C3)cc(Cl)c2O1 ZINC000246156290 531064387 /nfs/dbraw/zinc/06/43/87/531064387.db2.gz LIGXTUFOBGVODQ-TZMCWYRMSA-N 0 0 386.901 1.759 10 0 GDAERN C[C@H](O)CN1CCN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)C[C@H]1C ZINC000246213695 531065299 /nfs/dbraw/zinc/06/52/99/531065299.db2.gz SHLOOTJDGRMDBO-AGIUHOORSA-N 0 0 388.917 1.739 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000128096852 531037535 /nfs/dbraw/zinc/03/75/35/531037535.db2.gz CUSUHTQVBUVFEJ-JYJNAYRXSA-N 0 0 383.286 1.362 10 0 GDAERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128118376 531037715 /nfs/dbraw/zinc/03/77/15/531037715.db2.gz VVVDCNSAKNQPJX-RISCZKNCSA-N 0 0 377.268 1.570 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245671521 531059738 /nfs/dbraw/zinc/05/97/38/531059738.db2.gz CXTXDFLFSBLNIX-STQMWFEESA-N 0 0 391.331 1.833 10 0 GDAERN O=C(CCn1cnc2ccc(Br)cc2c1=O)N[C@@H]1CCCC[C@@H]1O ZINC000130407469 531060527 /nfs/dbraw/zinc/06/05/27/531060527.db2.gz OOPKENZJEWFYRQ-CABCVRRESA-N 0 0 394.269 1.969 10 0 GDAERN COCCN(C)S(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245756648 531060749 /nfs/dbraw/zinc/06/07/49/531060749.db2.gz YMFMQWKDKYPOOQ-XJKSGUPXSA-N 0 0 393.912 1.885 10 0 GDAERN O=C(CSCc1cscn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000131823071 531075953 /nfs/dbraw/zinc/07/59/53/531075953.db2.gz QPUHLAJQSLRUEK-UHFFFAOYSA-N 0 0 375.483 1.163 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(Cn2cc(Br)cn2)on1 ZINC000132307554 531079660 /nfs/dbraw/zinc/07/96/60/531079660.db2.gz OOAIDSXWQPHFGA-SNVBAGLBSA-N 0 0 392.217 1.018 10 0 GDAERN C[C@H]1CCS(=O)(=O)CCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000248845609 531082729 /nfs/dbraw/zinc/08/27/29/531082729.db2.gz ANJMOVPPOATPQI-GXTWGEPZSA-N 0 0 392.315 1.698 10 0 GDAERN NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccncc1I ZINC000134874584 531104894 /nfs/dbraw/zinc/10/48/94/531104894.db2.gz HPHNKYWNBPDBEV-ZDUSSCGKSA-N 0 0 393.184 1.743 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1-n1cncn1 ZINC000134534901 531101387 /nfs/dbraw/zinc/10/13/87/531101387.db2.gz QDRSPYXKRWAQIJ-LLVKDONJSA-N 0 0 388.229 1.366 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(C)s1 ZINC000134704029 531103265 /nfs/dbraw/zinc/10/32/65/531103265.db2.gz GCGWTRIHYWOTGY-ZDUSSCGKSA-N 0 0 378.541 1.554 10 0 GDAERN O=S(=O)(Cc1ccccc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134704957 531103362 /nfs/dbraw/zinc/10/33/62/531103362.db2.gz BGVYXUFDPJMCDI-AWEZNQCLSA-N 0 0 376.475 1.155 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)c2ccccc2I)C[C@@H]1C ZINC000246701677 531069852 /nfs/dbraw/zinc/06/98/52/531069852.db2.gz KCLYYEUMOOCPKL-RYUDHWBXSA-N 0 0 388.249 1.818 10 0 GDAERN O=C(c1ccncc1I)N1CCOC2(CCOCC2)C1 ZINC000135547906 531110177 /nfs/dbraw/zinc/11/01/77/531110177.db2.gz VPBBHWRYLIFSBX-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/34/85/61/211348561.db2.gz AECCIVJSADQZPN-UHFFFAOYSA-N 0 0 377.869 1.710 10 0 GDAERN Cc1nc(CN2CCN(C)C3(CCN(C(=O)c4cccnc4)CC3)C2=O)cs1 ZINC000096077179 211297690 /nfs/dbraw/zinc/29/76/90/211297690.db2.gz SXZMYCWWONAVGD-UHFFFAOYSA-N 0 0 399.520 1.796 10 0 GDAERN CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000091302252 211190487 /nfs/dbraw/zinc/19/04/87/211190487.db2.gz RGDDOIRFLHQCEP-RLFYNMQTSA-N 0 0 376.409 1.582 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1 ZINC000004388779 211019507 /nfs/dbraw/zinc/01/95/07/211019507.db2.gz BUJZQODWGWBUIR-UHFFFAOYSA-N 0 0 391.449 1.821 10 0 GDAERN CCc1n[nH]c2c1CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1)CC2 ZINC000067714533 211016290 /nfs/dbraw/zinc/01/62/90/211016290.db2.gz KZBUXEPMRGMFAO-LJQANCHMSA-N 0 0 381.480 1.248 10 0 GDAERN Cc1c(C(=O)N2CCCn3nc(C(=O)NC4CC4)cc3C2)cnc2ccnn21 ZINC000065410276 210991790 /nfs/dbraw/zinc/99/17/90/210991790.db2.gz OXXPGOKWQCPAPG-UHFFFAOYSA-N 0 0 379.424 1.173 10 0 GDAERN CCc1ccc(N2C(=O)N(CC(=O)N(CC)CC)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020132628 210318249 /nfs/dbraw/zinc/31/82/49/210318249.db2.gz SABYZBLQVWZLIO-SJORKVTESA-N 0 0 393.509 1.525 10 0 GDAERN O=C(C1CCCCC1)N1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 ZINC000004260254 560197952 /nfs/dbraw/zinc/19/79/52/560197952.db2.gz MKSSWNYHYTZCED-ZWKOTPCHSA-N 0 0 385.464 1.053 10 0 biogenic GDAERN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCSC)c(F)c1 ZINC000011879141 570442926 /nfs/dbraw/zinc/44/29/26/570442926.db2.gz ZHQQQDUKUGQNPG-INIZCTEOSA-N 0 0 383.489 1.394 10 0 GDAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CCO[C@@H](c4cnn(C)c4)C3)ccc21 ZINC000267515377 570529406 /nfs/dbraw/zinc/52/94/06/570529406.db2.gz DBOKBGKHKJXFMB-GOSISDBHSA-N 0 0 390.465 1.091 10 0 GDAERN CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)Cc3noc4ccccc43)C2)n1 ZINC000328612241 570557772 /nfs/dbraw/zinc/55/77/72/570557772.db2.gz OCRRFOOUPNRIEL-KRWDZBQOSA-N 0 0 392.437 1.758 10 0 GDAERN CCOc1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)cn1 ZINC000275346856 570691895 /nfs/dbraw/zinc/69/18/95/570691895.db2.gz SPFIRRVZRAXGOP-MRXNPFEDSA-N 0 0 380.426 1.023 10 0 GDAERN COc1ccccc1OCCNC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1 ZINC000065313888 570796245 /nfs/dbraw/zinc/79/62/45/570796245.db2.gz DGBZSYUFAHCEJB-OAHLLOKOSA-N 0 0 386.452 1.201 10 0 GDAERN COc1ccc(CCNC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)c(F)c1 ZINC000583615138 570799990 /nfs/dbraw/zinc/79/99/90/570799990.db2.gz JSCKYECZONLAGT-AWEZNQCLSA-N 0 0 388.443 1.702 10 0 GDAERN COc1cc(C[C@@H]2CO[C@@H](O)[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O ZINC000005567454 574412537 /nfs/dbraw/zinc/41/25/37/574412537.db2.gz LHQJDCXEZZAFKD-XMCHAPAWSA-N 0 0 376.405 1.596 10 0 endogenous,in-man GDAERN Cc1nc(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)sc1C ZINC000126193908 644719088 /nfs/dbraw/zinc/71/90/88/644719088.db2.gz HGZVGLSADZQWIV-JTQLQIEISA-N 0 0 378.479 1.503 10 0 GDAERN C[C@@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C1CCOCC1 ZINC000151502749 644781580 /nfs/dbraw/zinc/78/15/80/644781580.db2.gz HYEFDRXVENFNAK-SECBINFHSA-N 0 0 399.245 1.251 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1C ZINC000160361154 644848244 /nfs/dbraw/zinc/84/82/44/644848244.db2.gz SWTOVZRLSPGHLZ-LBPRGKRZSA-N 0 0 399.289 1.352 10 0 GDAERN CC(C)n1ccnc1Cn1c(Br)nc2c1n(C)c(=O)n(C)c2=O ZINC000171677918 644877777 /nfs/dbraw/zinc/87/77/77/644877777.db2.gz RZKSSOOAVHXROR-UHFFFAOYSA-N 0 0 381.234 1.022 10 0 GDAERN CCn1nccc1[C@@H]1OCC[C@H]1CNc1cnn(C)c(=O)c1Br ZINC000330057063 645339890 /nfs/dbraw/zinc/33/98/90/645339890.db2.gz WVMFEWIJAAOHPP-IINYFYTJSA-N 0 0 382.262 1.949 10 0 GDAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ccc(I)c(O)c1 ZINC000601732189 652600430 /nfs/dbraw/zinc/60/04/30/652600430.db2.gz ASSIQMJDWZIMBU-LLVKDONJSA-N 0 0 390.221 1.399 10 0 GDAERN CCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 ZINC000702767937 654832719 /nfs/dbraw/zinc/83/27/19/654832719.db2.gz PSXGHMKWLMUSKU-YPMHNXCESA-N 0 0 390.527 1.817 10 0 GDAERN CN1CCN(C(=O)[C@@H]2CN(Cc3nnsc3Cl)C[C@H]2C(F)(F)F)CC1 ZINC000888103090 657863789 /nfs/dbraw/zinc/86/37/89/657863789.db2.gz GAMBYALUYFAMHU-NXEZZACHSA-N 0 0 397.854 1.576 10 0 GDAERN CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1 ZINC000899078783 658982562 /nfs/dbraw/zinc/98/25/62/658982562.db2.gz FMSLNYXURMVUJR-LLVKDONJSA-N 0 0 381.483 1.212 10 0 GDAERN COC(=O)[C@H]1CSCN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000907881473 659841095 /nfs/dbraw/zinc/84/10/95/659841095.db2.gz JUIOZSBERRVUCI-SECBINFHSA-N 0 0 378.237 1.193 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689250937 968893220 /nfs/dbraw/zinc/89/32/20/968893220.db2.gz QTUAIFOVXZBLST-OIISXLGYSA-N 0 0 381.498 1.280 10 0 GDAERN O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709642128 969038996 /nfs/dbraw/zinc/03/89/96/969038996.db2.gz UJRBYEPPMKVOHL-ROUUACIJSA-N 0 0 395.525 1.815 10 0 GDAERN C[C@]12CN(S(=O)(=O)c3n[nH]cc3C(=O)[O-])C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702106247 977064572 /nfs/dbraw/zinc/06/45/72/977064572.db2.gz FPVULJRUEDFETR-KDOFPFPSSA-N 0 0 390.465 1.251 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000708531566 977432499 /nfs/dbraw/zinc/43/24/99/977432499.db2.gz JIJRKTPFCZNGBQ-RHSMWYFYSA-N 0 0 389.477 1.826 10 0 GDAERN COCc1cnc(C2=NC(=O)[C@@](C)(C(C)C)N2)c(C2=NC(=O)[C@@](C)(C(C)C)N2)c1 ZINC000504419169 231317831 /nfs/dbraw/zinc/31/78/31/231317831.db2.gz PNRINNCVUOQMTD-NHCUHLMSSA-N 0 0 399.495 1.810 10 0 GDAERN CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCOC)c21 ZINC000004758162 530537721 /nfs/dbraw/zinc/53/77/21/530537721.db2.gz UNZLNOFBZAXVFR-UHFFFAOYSA-N 0 0 391.287 1.673 10 0 GDAERN O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000159206209 530541181 /nfs/dbraw/zinc/54/11/81/530541181.db2.gz ORDLCZRMYBPLSC-NSHDSACASA-N 0 0 378.376 1.136 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000161873789 530564372 /nfs/dbraw/zinc/56/43/72/530564372.db2.gz QETRMSCEDQAXPI-OLZOCXBDSA-N 0 0 376.837 1.910 10 0 GDAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000170894100 530591093 /nfs/dbraw/zinc/59/10/93/530591093.db2.gz VPSWOWSPOFLOOS-LLVKDONJSA-N 0 0 387.299 1.773 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCC[C@@H](n2cncn2)C1 ZINC000170896504 530591136 /nfs/dbraw/zinc/59/11/36/530591136.db2.gz NELZHBXQFQHREA-SNVBAGLBSA-N 0 0 382.218 1.227 10 0 GDAERN CN1CCO[C@@H](CNS(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000171107147 530594299 /nfs/dbraw/zinc/59/42/99/530594299.db2.gz NLQGDUCTUXVEFN-GPAKFWEMSA-N 0 0 375.288 1.670 10 0 GDAERN O[C@@H](COc1cccc(Br)c1)CN1CCN(c2cnccn2)CC1 ZINC000043507457 530635337 /nfs/dbraw/zinc/63/53/37/530635337.db2.gz FVFNZDXSSGSUNR-OAHLLOKOSA-N 0 0 393.285 1.801 10 0 GDAERN CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000173835875 530638204 /nfs/dbraw/zinc/63/82/04/530638204.db2.gz HFGRFQWGXUDYFR-OAHLLOKOSA-N 0 0 383.495 1.281 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3sccc3Br)CCO2)[nH]1 ZINC000173838133 530638252 /nfs/dbraw/zinc/63/82/52/530638252.db2.gz XQVJQZZJGUXDJI-SECBINFHSA-N 0 0 393.288 1.699 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000044696273 530639583 /nfs/dbraw/zinc/63/95/83/530639583.db2.gz QDIAQYBTQRJQIB-CQSZACIVSA-N 0 0 384.889 1.808 10 0 GDAERN Brc1ccccc1-n1nnnc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000173907246 530640278 /nfs/dbraw/zinc/64/02/78/530640278.db2.gz SAIWOQUZSMOGEL-CYBMUJFWSA-N 0 0 393.289 1.331 10 0 GDAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)ccc1Br ZINC000176100466 530676835 /nfs/dbraw/zinc/67/68/35/530676835.db2.gz CKRBUXUCZVQNPR-LLVKDONJSA-N 0 0 394.229 1.639 10 0 GDAERN COc1ccc(Br)cc1C=CC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000176221198 530678804 /nfs/dbraw/zinc/67/88/04/530678804.db2.gz BOCYQMPDNNXEBR-NDRDAGNVSA-N 0 0 380.242 1.707 10 0 GDAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3sc(C)nc3C)CC2)n1 ZINC000176915878 530693611 /nfs/dbraw/zinc/69/36/11/530693611.db2.gz LPRGNEZBRPHKMT-NSHDSACASA-N 0 0 385.515 1.773 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1N1CCOCC1 ZINC000176997970 530695401 /nfs/dbraw/zinc/69/54/01/530695401.db2.gz ICBTUGCPFKHRLX-MNOVXSKESA-N 0 0 395.344 1.852 10 0 GDAERN Cc1csc([C@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)CCO2)n1 ZINC000177033625 530696060 /nfs/dbraw/zinc/69/60/60/530696060.db2.gz DJCSTTVBYUEVMA-SNVBAGLBSA-N 0 0 380.392 1.603 10 0 GDAERN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1Br ZINC000054066288 530698709 /nfs/dbraw/zinc/69/87/09/530698709.db2.gz NKJBFSFABSAKDI-NSHDSACASA-N 0 0 390.303 1.797 10 0 GDAERN O=C(CSC[C@H](O)CO)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000177420279 530703189 /nfs/dbraw/zinc/70/31/89/530703189.db2.gz NRWIKMZDCRJAKZ-GFCCVEGCSA-N 0 0 376.881 1.210 10 0 GDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(C)C ZINC000178841301 530728610 /nfs/dbraw/zinc/72/86/10/530728610.db2.gz ZUKZWXCXKDXVCR-IAQYHMDHSA-N 0 0 396.285 1.689 10 0 GDAERN CC(C)[C@@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000178867085 530729128 /nfs/dbraw/zinc/72/91/28/530729128.db2.gz JECNWHBSLLULQU-AWEZNQCLSA-N 0 0 376.425 1.205 10 0 GDAERN Cc1nnc([C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)c2ccccc2)[nH]1 ZINC000178950165 530732231 /nfs/dbraw/zinc/73/22/31/530732231.db2.gz SMYFWZMBVHQYLZ-ZDUSSCGKSA-N 0 0 378.845 1.812 10 0 GDAERN Cc1nc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1c(Cl)cccc1Cl ZINC000180215336 530760393 /nfs/dbraw/zinc/76/03/93/530760393.db2.gz LEDBMXTUHCRWAD-LLVKDONJSA-N 0 0 384.223 1.209 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000180256106 530761295 /nfs/dbraw/zinc/76/12/95/530761295.db2.gz LWQLSPHGLLPALX-SWLSCSKDSA-N 0 0 396.285 1.567 10 0 GDAERN Cc1cc(I)cc(C(=O)N2CCOC[C@H]2C(N)=O)c1C ZINC000180277130 530762740 /nfs/dbraw/zinc/76/27/40/530762740.db2.gz FOVQBUAIZZYAGF-LBPRGKRZSA-N 0 0 388.205 1.234 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@@H](N2CCOCC2)C1 ZINC000179622081 530745992 /nfs/dbraw/zinc/74/59/92/530745992.db2.gz LVZANHDUFLSWEP-GFCCVEGCSA-N 0 0 380.246 1.039 10 0 GDAERN NC(=O)[C@@H]1COCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000179740066 530748971 /nfs/dbraw/zinc/74/89/71/530748971.db2.gz PUJYWMBXJJUECK-LBPRGKRZSA-N 0 0 381.230 1.109 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000179754608 530749410 /nfs/dbraw/zinc/74/94/10/530749410.db2.gz KBTSBSKQYIMXDM-UHFFFAOYSA-N 0 0 378.230 1.912 10 0 GDAERN COc1c(C)cc(S(=O)(=O)N2CCNC(=O)C[C@H]2C(F)(F)F)cc1C ZINC000180722226 530770469 /nfs/dbraw/zinc/77/04/69/530770469.db2.gz WBMQOFBPGATCLQ-LBPRGKRZSA-N 0 0 380.388 1.754 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1F ZINC000181382056 530782431 /nfs/dbraw/zinc/78/24/31/530782431.db2.gz LFSUVKJSPVZHRY-CYBMUJFWSA-N 0 0 376.475 1.323 10 0 GDAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)o1 ZINC000181368418 530782487 /nfs/dbraw/zinc/78/24/87/530782487.db2.gz ZSKKSEFNJKVVJL-VIFPVBQESA-N 0 0 382.214 1.865 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)c(Br)c(F)c1 ZINC000182534123 530800416 /nfs/dbraw/zinc/80/04/16/530800416.db2.gz ZPEFCFSRCOBHFB-SNVBAGLBSA-N 0 0 394.216 1.542 10 0 GDAERN NC(=O)NCC(=O)Nc1ccc(Br)c(I)c1 ZINC000102792097 530830069 /nfs/dbraw/zinc/83/00/69/530830069.db2.gz NKLLSBCCDIUXJG-UHFFFAOYSA-N 0 0 397.998 1.661 10 0 GDAERN C[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183681308 530819404 /nfs/dbraw/zinc/81/94/04/530819404.db2.gz HMTOXPYRJAFXGV-IUODEOHRSA-N 0 0 380.491 1.361 10 0 GDAERN CCN(CC1CC1)S(=O)(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000183954982 530822785 /nfs/dbraw/zinc/82/27/85/530822785.db2.gz PVQCJZHTNZWXBD-INIZCTEOSA-N 0 0 387.571 1.996 10 0 GDAERN CC(C)n1nnnc1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000107078651 530852313 /nfs/dbraw/zinc/85/23/13/530852313.db2.gz YUDYHRYKYBZENU-HNNXBMFYSA-N 0 0 393.245 1.984 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2cc(Br)ccc2F)C1)C1CCC1 ZINC000186175261 530852536 /nfs/dbraw/zinc/85/25/36/530852536.db2.gz LTYDCGVKUVBXQB-UHFFFAOYSA-N 0 0 391.262 1.877 10 0 GDAERN CCO[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C12CCOCC2 ZINC000186459796 530856368 /nfs/dbraw/zinc/85/63/68/530856368.db2.gz VIDAPQHLRWWSAL-OLZOCXBDSA-N 0 0 385.258 1.841 10 0 GDAERN COC[C@H](C)C(=O)NCCCNC(=O)c1cc(OC)ccc1Br ZINC000109225462 530861559 /nfs/dbraw/zinc/86/15/59/530861559.db2.gz RBQURPJCNGQWME-NSHDSACASA-N 0 0 387.274 1.976 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)CCSc3nnnn3C)CC2)cs1 ZINC000109649822 530864137 /nfs/dbraw/zinc/86/41/37/530864137.db2.gz PWNLOLYILPPRHI-UHFFFAOYSA-N 0 0 381.531 1.192 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)C(=O)Nc3ccsc3Cl)CC2)no1 ZINC000186903338 530864731 /nfs/dbraw/zinc/86/47/31/530864731.db2.gz VXSHHDSWHIHOPR-UHFFFAOYSA-N 0 0 383.861 1.766 10 0 GDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)nc3)CCO2)n1 ZINC000111345334 530873940 /nfs/dbraw/zinc/87/39/40/530873940.db2.gz HWQXWCMMIOPFQU-HNNXBMFYSA-N 0 0 384.889 1.779 10 0 GDAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C12CCOCC2 ZINC000185150267 530837297 /nfs/dbraw/zinc/83/72/97/530837297.db2.gz LZMKEJSNRIRYKO-VXGBXAGGSA-N 0 0 377.894 1.634 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2c(F)cccc2I)C1 ZINC000185291601 530839139 /nfs/dbraw/zinc/83/91/39/530839139.db2.gz AWMUYBDOMUNFAT-UHFFFAOYSA-N 0 0 392.168 1.017 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(I)c[nH]1)CC2 ZINC000115387316 530899858 /nfs/dbraw/zinc/89/98/58/530899858.db2.gz WXEUWHIHHRKIEZ-VIFPVBQESA-N 0 0 385.209 1.518 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(F)c(I)c1 ZINC000188945675 530904170 /nfs/dbraw/zinc/90/41/70/530904170.db2.gz DMJWSHWIFJTKFL-MRVPVSSYSA-N 0 0 376.169 1.781 10 0 GDAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)C2)cn1 ZINC000116370825 530904819 /nfs/dbraw/zinc/90/48/19/530904819.db2.gz CRPBUZAADKOFON-LLVKDONJSA-N 0 0 387.458 1.141 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)cn1 ZINC000116466533 530905316 /nfs/dbraw/zinc/90/53/16/530905316.db2.gz VLWVQPNBVRYUJC-SNVBAGLBSA-N 0 0 381.230 1.522 10 0 GDAERN COCC(=O)NC1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000187712934 530876709 /nfs/dbraw/zinc/87/67/09/530876709.db2.gz AAFCAOJPPOLRNL-UHFFFAOYSA-N 0 0 386.779 1.494 10 0 GDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)c1 ZINC000112094515 530878794 /nfs/dbraw/zinc/87/87/94/530878794.db2.gz DCVPUCNTNRVECG-LLVKDONJSA-N 0 0 375.372 1.699 10 0 GDAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1Br ZINC000187920214 530880401 /nfs/dbraw/zinc/88/04/01/530880401.db2.gz XDQQLYRMBXHCRU-UHFFFAOYSA-N 0 0 389.271 1.357 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(I)ccc1O ZINC000112725301 530884502 /nfs/dbraw/zinc/88/45/02/530884502.db2.gz HDYRUJJMGGHYGZ-SECBINFHSA-N 0 0 384.177 1.333 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000188487364 530895530 /nfs/dbraw/zinc/89/55/30/530895530.db2.gz DFIBIYRLDSBJIX-GFCCVEGCSA-N 0 0 398.301 1.927 10 0 GDAERN CN1CCO[C@H](CNC(=O)NCc2c(F)cc(Br)cc2F)C1 ZINC000188540057 530896415 /nfs/dbraw/zinc/89/64/15/530896415.db2.gz IZIZUJPEEUOLFE-SNVBAGLBSA-N 0 0 378.217 1.857 10 0 GDAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccccc1I ZINC000114854266 530897155 /nfs/dbraw/zinc/89/71/55/530897155.db2.gz QORRLWAUUDHXJX-LBPRGKRZSA-N 0 0 386.233 1.884 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1Br)CC2 ZINC000114874446 530897370 /nfs/dbraw/zinc/89/73/70/530897370.db2.gz HKKYYUHOHAYXLJ-JTQLQIEISA-N 0 0 385.287 1.896 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH]c(C)c(Br)c1=O ZINC000119776131 530931085 /nfs/dbraw/zinc/93/10/85/530931085.db2.gz WLVJSZQJUUHLMA-SNVBAGLBSA-N 0 0 396.245 1.861 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)C(N)=O ZINC000189541094 530915292 /nfs/dbraw/zinc/91/52/92/530915292.db2.gz DFCOMNOUROJIOH-JTQLQIEISA-N 0 0 378.173 1.292 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000118115280 530916130 /nfs/dbraw/zinc/91/61/30/530916130.db2.gz HEDNPGNYPZSYON-JTQLQIEISA-N 0 0 390.665 1.488 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115606 530916241 /nfs/dbraw/zinc/91/62/41/530916241.db2.gz KVNQMRBCBIGGHY-CYBMUJFWSA-N 0 0 384.274 1.451 10 0 GDAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)CCc2cccs2)ncn1 ZINC000189673931 530918928 /nfs/dbraw/zinc/91/89/28/530918928.db2.gz RTCQSSOPPNFQDN-CYBMUJFWSA-N 0 0 381.527 1.711 10 0 GDAERN Cc1c(C(=O)N2CCCN(C)C(=O)C2)nnn1-c1cccc(Br)c1 ZINC000190633678 530934470 /nfs/dbraw/zinc/93/44/70/530934470.db2.gz DEVJYSCXKNCMGZ-UHFFFAOYSA-N 0 0 392.257 1.643 10 0 GDAERN CC(=O)NC1CN(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)C1 ZINC000189962427 530923035 /nfs/dbraw/zinc/92/30/35/530923035.db2.gz AUXWNVYJGODDNK-UHFFFAOYSA-N 0 0 397.273 1.616 10 0 GDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)CCc3cccs3)C2=O)n(C)n1 ZINC000192024132 530959462 /nfs/dbraw/zinc/95/94/62/530959462.db2.gz JUVZNKIUZSHVCS-AWEZNQCLSA-N 0 0 382.511 1.448 10 0 GDAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(Br)nn3C)C2)n1 ZINC000192121834 530962271 /nfs/dbraw/zinc/96/22/71/530962271.db2.gz QSUMDMBALSCFNO-GFCCVEGCSA-N 0 0 381.278 1.943 10 0 GDAERN Cn1nc(Br)cc1C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000192167826 530963603 /nfs/dbraw/zinc/96/36/03/530963603.db2.gz PQKKZMNURUTMGG-AWEZNQCLSA-N 0 0 393.285 1.332 10 0 GDAERN C[C@H](CNC(=O)c1c(F)cccc1I)N1CCOCC1 ZINC000121910685 530964220 /nfs/dbraw/zinc/96/42/20/530964220.db2.gz GTSBRWDIXJISPW-SNVBAGLBSA-N 0 0 392.212 1.881 10 0 GDAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)nn1C ZINC000190683012 530935438 /nfs/dbraw/zinc/93/54/38/530935438.db2.gz YMSMATCOLCLXTK-CQSZACIVSA-N 0 0 395.232 1.943 10 0 GDAERN CC(C)n1nnnc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304433 530946988 /nfs/dbraw/zinc/94/69/88/530946988.db2.gz ABSUWETWTMEOII-UHFFFAOYSA-N 0 0 376.412 1.837 10 0 GDAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000191342200 530947482 /nfs/dbraw/zinc/94/74/82/530947482.db2.gz QPINCJRJYCYRER-UHFFFAOYSA-N 0 0 376.157 1.013 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000120961845 530947820 /nfs/dbraw/zinc/94/78/20/530947820.db2.gz OXWLYHQOWSNVQV-LBPRGKRZSA-N 0 0 382.258 1.823 10 0 GDAERN Cc1nc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000192922122 530975891 /nfs/dbraw/zinc/97/58/91/530975891.db2.gz JJLVPMCYBVDWBT-LBPRGKRZSA-N 0 0 399.289 1.054 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)ncc1Br ZINC000193273090 530982757 /nfs/dbraw/zinc/98/27/57/530982757.db2.gz YGOJTELGNVMGKN-NSHDSACASA-N 0 0 392.257 1.841 10 0 GDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000193322560 530984121 /nfs/dbraw/zinc/98/41/21/530984121.db2.gz YQIMQEKDLGFONY-LLVKDONJSA-N 0 0 387.205 1.999 10 0 GDAERN COCCN1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C ZINC000122099248 530966487 /nfs/dbraw/zinc/96/64/87/530966487.db2.gz VOPFMRCMPDVLNH-NSHDSACASA-N 0 0 389.237 1.479 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(C)(C)c1ccccc1Br ZINC000193622960 530990767 /nfs/dbraw/zinc/99/07/67/530990767.db2.gz VQZGLMUJSVEPQY-IUODEOHRSA-N 0 0 383.286 1.825 10 0 GDAERN C[C@H](O)CCN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000125792098 531010849 /nfs/dbraw/zinc/01/08/49/531010849.db2.gz WOBZAXOFZNWSNV-UONOGXRCSA-N 0 0 388.917 1.970 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000195427041 531022471 /nfs/dbraw/zinc/02/24/71/531022471.db2.gz YWULAWSZAYRYBP-UHFFFAOYSA-N 0 0 391.906 1.542 10 0 GDAERN C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC000228464781 531032864 /nfs/dbraw/zinc/03/28/64/531032864.db2.gz VKZKRFIUNJRYHT-QUBYGPBYSA-N 0 0 397.678 1.657 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000245895128 531061583 /nfs/dbraw/zinc/06/15/83/531061583.db2.gz KEIFJCASFWVSEU-MLGOLLRUSA-N 0 0 376.881 1.961 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245945705 531061799 /nfs/dbraw/zinc/06/17/99/531061799.db2.gz BJNVXJBRQABLOJ-MVWJERBFSA-N 0 0 380.242 1.856 10 0 GDAERN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000246020830 531062051 /nfs/dbraw/zinc/06/20/51/531062051.db2.gz NNGNNTGEOMKZAY-CABCVRRESA-N 0 0 386.539 1.728 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)sc1Br ZINC000246082532 531063177 /nfs/dbraw/zinc/06/31/77/531063177.db2.gz HGLAMJMQEZDJHL-MNOVXSKESA-N 0 0 397.360 1.895 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(Cl)ccc1Br ZINC000128986568 531046628 /nfs/dbraw/zinc/04/66/28/531046628.db2.gz AHKBJXXPUMUJOO-NSHDSACASA-N 0 0 377.666 1.525 10 0 GDAERN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000247494582 531075214 /nfs/dbraw/zinc/07/52/14/531075214.db2.gz UNSXJGKBELJODE-RYUDHWBXSA-N 0 0 392.930 1.601 10 0 GDAERN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000248763537 531081834 /nfs/dbraw/zinc/08/18/34/531081834.db2.gz GUNIOCDTHQMTDR-PVAVHDDUSA-N 0 0 382.551 1.543 10 0 GDAERN COc1ccc(Cl)c(S(=O)(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)c1 ZINC000132734263 531083415 /nfs/dbraw/zinc/08/34/15/531083415.db2.gz JKAOTCYZMBAOFI-LLVKDONJSA-N 0 0 386.779 1.790 10 0 GDAERN O=C1C[C@@H](C(F)(F)F)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CCN1 ZINC000132729936 531083581 /nfs/dbraw/zinc/08/35/81/531083581.db2.gz JFKSJIXRQDZEEY-VIFPVBQESA-N 0 0 391.293 1.542 10 0 GDAERN O=C1NC[C@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CCN12 ZINC000249310048 531086260 /nfs/dbraw/zinc/08/62/60/531086260.db2.gz NXFJSAILWCREKB-UONOGXRCSA-N 0 0 379.258 1.264 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cc2[nH]1 ZINC000249476323 531087462 /nfs/dbraw/zinc/08/74/62/531087462.db2.gz UJAXUWZPLPETCT-WCQYABFASA-N 0 0 379.463 1.314 10 0 GDAERN CN(c1cnn(C)c(=O)c1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000261480812 531093520 /nfs/dbraw/zinc/09/35/20/531093520.db2.gz UQUOLZQXEDGTAE-LLVKDONJSA-N 0 0 379.262 1.438 10 0 GDAERN Cc1csc2nc(CN3CC[C@H](S(=O)(=O)N4CCCC4)C3)cc(=O)n12 ZINC000135722521 531111179 /nfs/dbraw/zinc/11/11/79/531111179.db2.gz MLFWKIGQALNMQO-AWEZNQCLSA-N 0 0 382.511 1.064 10 0 GDAERN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000144826933 531124255 /nfs/dbraw/zinc/12/42/55/531124255.db2.gz UORSKJNDNXOTEC-KRWDZBQOSA-N 0 0 380.491 1.951 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000151130900 531133258 /nfs/dbraw/zinc/13/32/58/531133258.db2.gz YUNBYKUZTKNTEK-SNVBAGLBSA-N 0 0 378.185 1.491 10 0 GDAERN NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000151142682 531133663 /nfs/dbraw/zinc/13/36/63/531133663.db2.gz KUZFQKUKZKNUMI-ZANVPECISA-N 0 0 391.287 1.377 10 0 GDAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)C(F)(F)c2cccc(Cl)c2)CCO1 ZINC000262933400 531134770 /nfs/dbraw/zinc/13/47/70/531134770.db2.gz SXXYNUZQFHXVRK-ZDUSSCGKSA-N 0 0 376.787 1.676 10 0 GDAERN COc1ccc(Br)c(CC(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000151775978 531142511 /nfs/dbraw/zinc/14/25/11/531142511.db2.gz RFVKAZAKYLSGSX-HNNXBMFYSA-N 0 0 383.286 1.980 10 0 GDAERN Nc1ccc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)cn1 ZINC000151661017 531141014 /nfs/dbraw/zinc/14/10/14/531141014.db2.gz DWXHIUKGYSHKAR-UHFFFAOYSA-N 0 0 377.198 1.790 10 0 GDAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cc(Cl)cnc3N)CCO2)n1 ZINC000153612655 531170347 /nfs/dbraw/zinc/17/03/47/531170347.db2.gz XJVVBLGFLZOWAL-CYBMUJFWSA-N 0 0 385.877 1.220 10 0 GDAERN O=C(CSc1cc(Cl)ccc1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000154109467 531178147 /nfs/dbraw/zinc/17/81/47/531178147.db2.gz AMJXFVKRCXFRRM-GFCCVEGCSA-N 0 0 379.309 1.895 10 0 GDAERN 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O=C(N[C@H]1CCN2C(=O)[C@H](Cc3cccs3)NC(=O)[C@H]12)c1cccs1 ZINC000003838960 291111945 /nfs/dbraw/zinc/11/19/45/291111945.db2.gz BKGCXEDJEPQODI-OBJOEFQTSA-N 0 0 375.475 1.250 10 0 GDAERN CN(C[C@]1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000000601302 209250373 /nfs/dbraw/zinc/25/03/73/209250373.db2.gz SMNOERSLNYGGOU-ZDUSSCGKSA-N 0 0 382.891 1.177 10 0 in-man GDAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000097134821 209241917 /nfs/dbraw/zinc/24/19/17/209241917.db2.gz AEKOVMQQAXUGOZ-CQSZACIVSA-N 0 0 387.411 1.912 10 0 GDAERN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccc2nc[nH]c(=O)c2c1 ZINC000334162717 209177424 /nfs/dbraw/zinc/17/74/24/209177424.db2.gz YIDJYBDAAJWCEG-YCPHGPKFSA-N 0 0 387.465 2.000 10 0 GDAERN C[C@@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206245 209173853 /nfs/dbraw/zinc/17/38/53/209173853.db2.gz ZMYJTGDNFZJYFN-FZNWTYSESA-N 0 0 392.633 1.790 10 0 GDAERN CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccs2)CN1C1CCOCC1 ZINC000096148703 211309407 /nfs/dbraw/zinc/30/94/07/211309407.db2.gz LSRAWAZQCLKRDU-HOCLYGCPSA-N 0 0 379.526 1.968 10 0 GDAERN CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCOCC2)CN1Cc1cccc(O)c1 ZINC000091906413 211209946 /nfs/dbraw/zinc/20/99/46/211209946.db2.gz URNBKQOGZWXDPC-AEFFLSMTSA-N 0 0 375.469 1.014 10 0 GDAERN CC1=C(C(=O)N2CCc3n[nH]cc3C2)[C@@H](c2nc3ccccc3[nH]2)NC(=O)N1 ZINC000067756591 211021460 /nfs/dbraw/zinc/02/14/60/211021460.db2.gz GJDHVVFQYLYPLI-INIZCTEOSA-N 0 0 377.408 1.499 10 0 GDAERN OC[C@H]1O[C@@H](n2ncc3c2nc(C(F)(F)F)cc3C(F)(F)F)[C@H](O)[C@@H]1O ZINC000059276400 210925568 /nfs/dbraw/zinc/92/55/68/210925568.db2.gz LLZQXLRKGIDWIY-PNHWDRBUSA-N 0 0 387.236 1.080 10 0 GDAERN O=C([O-])c1cn(-c2ccc(F)cc2)c2nc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000026468329 210498775 /nfs/dbraw/zinc/49/87/75/210498775.db2.gz ROMLGDPRVIVYSV-UHFFFAOYSA-N 0 0 386.358 1.772 10 0 GDAERN CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000020206992 210321772 /nfs/dbraw/zinc/32/17/72/210321772.db2.gz GNNZKIWMHAYQBY-VXGBXAGGSA-N 0 0 391.371 1.345 10 0 GDAERN Cc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)o1 ZINC000065226897 136160392 /nfs/dbraw/zinc/16/03/92/136160392.db2.gz URUQMDAPZZLFGG-UHFFFAOYSA-N 0 0 398.511 1.663 10 0 GDAERN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)on1 ZINC000097698631 136188643 /nfs/dbraw/zinc/18/86/43/136188643.db2.gz LTZWUNORZSWFGV-DOMZBBRYSA-N 0 0 386.408 1.717 10 0 GDAERN CC(=O)N1CCC[N@H+](CC[C@H]2CN(C(=O)C(C)(C)C)CC[C@H]2CC(=O)[O-])CC1 ZINC000012480996 560212128 /nfs/dbraw/zinc/21/21/28/560212128.db2.gz YGWNNVLPZFQLRP-ROUUACIJSA-N 0 0 395.544 1.916 10 0 biogenic GDAERN CC(=O)Oc1c(C)cc(OCCCC(=O)N2CCN(CCO)CC2)c(C)c1C ZINC000048533642 570250919 /nfs/dbraw/zinc/25/09/19/570250919.db2.gz WSLQZTNUSYIEHX-UHFFFAOYSA-N 0 0 392.496 1.833 10 0 GDAERN CC(=O)N1CCc2c(ncn(CC(=O)N(C)CCCOc3ccccc3)c2=O)C1 ZINC000275648400 570697928 /nfs/dbraw/zinc/69/79/28/570697928.db2.gz UELISPSRVPYKDQ-UHFFFAOYSA-N 0 0 398.463 1.075 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015751 570886544 /nfs/dbraw/zinc/88/65/44/570886544.db2.gz MZTLGKLNUHBVPZ-HNNXBMFYSA-N 0 0 396.490 1.636 10 0 GDAERN COc1ccccc1CNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O ZINC000004874412 571004290 /nfs/dbraw/zinc/00/42/90/571004290.db2.gz UZXBFIZEMKEOJW-UHFFFAOYSA-N 0 0 379.416 1.443 10 0 GDAERN COC(=O)c1cc(F)ccc1Cn1cnc2c(c(Br)nn2C)c1=O ZINC000103350313 644602090 /nfs/dbraw/zinc/60/20/90/644602090.db2.gz OQSMNGKZZWBVOP-UHFFFAOYSA-N 0 0 395.188 1.867 10 0 GDAERN Cc1cnn(CCNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000117927583 644652116 /nfs/dbraw/zinc/65/21/16/644652116.db2.gz IHEDDHVNXQQRPW-UHFFFAOYSA-N 0 0 377.875 1.227 10 0 GDAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@@H]2CNC(=O)C2)ccc1Br ZINC000171502353 644876334 /nfs/dbraw/zinc/87/63/34/644876334.db2.gz RDSVXYMWWNQFOF-VIFPVBQESA-N 0 0 375.244 1.041 10 0 GDAERN Cn1cc([C@H]2CCN(Cn3nc(Br)nc3Br)C2)cn1 ZINC000175236150 644904193 /nfs/dbraw/zinc/90/41/93/644904193.db2.gz BNJULGDHVZOHJZ-QMMMGPOBSA-N 0 0 390.083 1.984 10 0 GDAERN Brc1nc(Br)n(CN2CC[C@H](N3CCOCC3)C2)n1 ZINC000175237810 644904786 /nfs/dbraw/zinc/90/47/86/644904786.db2.gz NSZMMFWKRJZCNG-VIFPVBQESA-N 0 0 395.099 1.167 10 0 GDAERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccoc1Br ZINC000194899948 645064557 /nfs/dbraw/zinc/06/45/57/645064557.db2.gz SDHYPPGISVMLPE-NEPJUHHUSA-N 0 0 385.170 1.775 10 0 GDAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCCn2cc(Br)cn2)C1 ZINC000222625951 645073542 /nfs/dbraw/zinc/07/35/42/645073542.db2.gz RQCUEOQIDDDMIS-AWEZNQCLSA-N 0 0 392.257 1.303 10 0 GDAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1cc(I)ccc1O ZINC000601736040 652600792 /nfs/dbraw/zinc/60/07/92/652600792.db2.gz RCJYAIVYXULUSV-NSHDSACASA-N 0 0 390.221 1.399 10 0 GDAERN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 ZINC000702761646 654832383 /nfs/dbraw/zinc/83/23/83/654832383.db2.gz BWHPYVNREUEIAX-CHWSQXEVSA-N 0 0 390.527 1.871 10 0 GDAERN Cc1ncc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)s1 ZINC000886044693 657591990 /nfs/dbraw/zinc/59/19/90/657591990.db2.gz VVAWDTFNYTWQTG-ZDUSSCGKSA-N 0 0 383.499 1.142 10 0 GDAERN O=C(c1nscc1I)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000910469979 659972237 /nfs/dbraw/zinc/97/22/37/659972237.db2.gz PHFPGEXTZNUUNX-CIUDSAMLSA-N 0 0 378.235 1.981 10 0 GDAERN COCc1cnc(C2=NC(=O)[C@@](C)(C(C)C)N2)c(C2=NC(=O)[C@](C)(C(C)C)N2)c1 ZINC000504419168 231317415 /nfs/dbraw/zinc/31/74/15/231317415.db2.gz PNRINNCVUOQMTD-LEWJYISDSA-N 0 0 399.495 1.810 10 0 GDAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172404178 530613576 /nfs/dbraw/zinc/61/35/76/530613576.db2.gz LUOGRMFKXGQWOP-CHWSQXEVSA-N 0 0 384.523 1.634 10 0 GDAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000173155697 530624685 /nfs/dbraw/zinc/62/46/85/530624685.db2.gz UBWTZDTWVXYHMX-MNOVXSKESA-N 0 0 386.861 1.834 10 0 GDAERN O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173350802 530628569 /nfs/dbraw/zinc/62/85/69/530628569.db2.gz HTXMIZSBADZEAN-CQSZACIVSA-N 0 0 382.258 1.321 10 0 GDAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173713418 530635774 /nfs/dbraw/zinc/63/57/74/530635774.db2.gz KEYLSENXRHWLPH-ZDUSSCGKSA-N 0 0 380.246 1.888 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCO2)[nH]1 ZINC000173736083 530635781 /nfs/dbraw/zinc/63/57/81/530635781.db2.gz FKJMYQGOAYFEKF-LBPRGKRZSA-N 0 0 376.360 1.894 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173735342 530635798 /nfs/dbraw/zinc/63/57/98/530635798.db2.gz JIINXGQQGCFQGK-SNVBAGLBSA-N 0 0 378.241 1.577 10 0 GDAERN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000173831171 530638265 /nfs/dbraw/zinc/63/82/65/530638265.db2.gz HNAIWMZDUYBGJC-HUUCEWRRSA-N 0 0 386.539 1.646 10 0 GDAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1nc2ncc(Br)cn2n1 ZINC000175755209 530669822 /nfs/dbraw/zinc/66/98/22/530669822.db2.gz YXTWQKBSFIMFSY-MRVPVSSYSA-N 0 0 384.234 1.689 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCn2ncnc21 ZINC000175822554 530671598 /nfs/dbraw/zinc/67/15/98/530671598.db2.gz FUROTEAQJONTRW-GFCCVEGCSA-N 0 0 378.230 1.422 10 0 GDAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176102056 530677090 /nfs/dbraw/zinc/67/70/90/530677090.db2.gz KXESLWLWIWESGG-NSHDSACASA-N 0 0 394.229 1.639 10 0 GDAERN COC(=O)C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1cccc(Br)c1 ZINC000176141001 530677717 /nfs/dbraw/zinc/67/77/17/530677717.db2.gz VUMSKLFMYOLFTF-LBPRGKRZSA-N 0 0 394.225 1.910 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000177411596 530702747 /nfs/dbraw/zinc/70/27/47/530702747.db2.gz GYKRYBBVZFPOAO-SNVBAGLBSA-N 0 0 399.332 1.369 10 0 GDAERN O=C(COc1ccc(I)cc1)N[C@H]1CCCn2ncnc21 ZINC000177561921 530705362 /nfs/dbraw/zinc/70/53/62/530705362.db2.gz OWPIONCASRLKFE-LBPRGKRZSA-N 0 0 398.204 1.913 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626423 530706959 /nfs/dbraw/zinc/70/69/59/530706959.db2.gz UETJPNAPTGDZLT-VIFPVBQESA-N 0 0 382.193 1.249 10 0 GDAERN O=C(Nc1ccccc1Br)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177654213 530707918 /nfs/dbraw/zinc/70/79/18/530707918.db2.gz VUCBOLSDSRBUGT-GFCCVEGCSA-N 0 0 393.241 1.512 10 0 GDAERN O=S(=O)(Cc1ncc(-c2cccc(Br)c2)o1)C[C@@H](O)CO ZINC000177673664 530708664 /nfs/dbraw/zinc/70/86/64/530708664.db2.gz RDSFHUAOEWGDJK-NSHDSACASA-N 0 0 376.228 1.372 10 0 GDAERN Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc(Br)cc1S(N)(=O)=O ZINC000177782409 530710684 /nfs/dbraw/zinc/71/06/84/530710684.db2.gz HIMOCISOJXRNCG-IUCAKERBSA-N 0 0 391.287 1.654 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)C(C)C ZINC000179597272 530744684 /nfs/dbraw/zinc/74/46/84/530744684.db2.gz KZCLNAYDMVBLES-CYBMUJFWSA-N 0 0 392.319 1.564 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnn2cc(Br)cnc12 ZINC000179783518 530749883 /nfs/dbraw/zinc/74/98/83/530749883.db2.gz BDTFFHUZNCSGAQ-NSHDSACASA-N 0 0 390.245 1.911 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000179888140 530752461 /nfs/dbraw/zinc/75/24/61/530752461.db2.gz NBCISIJTXQYLKI-LBPRGKRZSA-N 0 0 391.225 1.858 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000179892830 530752592 /nfs/dbraw/zinc/75/25/92/530752592.db2.gz RQXGJINZMSEQRK-ZBEGNZNMSA-N 0 0 382.258 1.936 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Br)c(Cl)c1 ZINC000179927548 530753817 /nfs/dbraw/zinc/75/38/17/530753817.db2.gz QOZUPDHYIJCGFB-NSHDSACASA-N 0 0 392.681 1.917 10 0 GDAERN CCS(=O)(=O)NCC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000179957415 530754294 /nfs/dbraw/zinc/75/42/94/530754294.db2.gz RNYCNZZYEOEOFA-OLZOCXBDSA-N 0 0 380.388 1.279 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000180186057 530760244 /nfs/dbraw/zinc/76/02/44/530760244.db2.gz KKGVDXDPFSAAOL-JTQLQIEISA-N 0 0 379.214 1.166 10 0 GDAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000180191637 530760318 /nfs/dbraw/zinc/76/03/18/530760318.db2.gz RBRJATDQVZRYOH-HZPDHXFCSA-N 0 0 386.901 1.790 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000180219297 530760413 /nfs/dbraw/zinc/76/04/13/530760413.db2.gz CBCVGUILOMUUSE-JTQLQIEISA-N 0 0 377.622 1.194 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000180214923 530760420 /nfs/dbraw/zinc/76/04/20/530760420.db2.gz ZPYPJKDBVXCRED-NSHDSACASA-N 0 0 398.282 1.704 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1F ZINC000181382036 530782461 /nfs/dbraw/zinc/78/24/61/530782461.db2.gz LFSUVKJSPVZHRY-ZDUSSCGKSA-N 0 0 376.475 1.323 10 0 GDAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2sccc2Br)cn1 ZINC000181698665 530789171 /nfs/dbraw/zinc/78/91/71/530789171.db2.gz MQZUXLJMHQKFJC-LLVKDONJSA-N 0 0 391.316 1.579 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000182106550 530794975 /nfs/dbraw/zinc/79/49/75/530794975.db2.gz HPUNJCSMYVZWKF-VIFPVBQESA-N 0 0 389.890 1.552 10 0 GDAERN NC(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000102146979 530827358 /nfs/dbraw/zinc/82/73/58/530827358.db2.gz CAMQGDNIVHMNSS-UHFFFAOYSA-N 0 0 375.599 1.941 10 0 GDAERN COCCCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000185033233 530835041 /nfs/dbraw/zinc/83/50/41/530835041.db2.gz JDJJIMRVMCUVKT-CABCVRRESA-N 0 0 376.544 1.856 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000088770818 530808470 /nfs/dbraw/zinc/80/84/70/530808470.db2.gz XLQDCOKQWSEDQA-ZDUSSCGKSA-N 0 0 376.544 1.904 10 0 GDAERN COc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)nc1Br ZINC000183101307 530809280 /nfs/dbraw/zinc/80/92/80/530809280.db2.gz JLQWNXCUOBCNJH-NSHDSACASA-N 0 0 381.230 1.590 10 0 GDAERN CNC(=O)[C@H]1CN(C(=O)c2c(C)cccc2I)CCO1 ZINC000183991240 530822966 /nfs/dbraw/zinc/82/29/66/530822966.db2.gz BFQGMHSTHSWVGU-LLVKDONJSA-N 0 0 388.205 1.187 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC000186320501 530855439 /nfs/dbraw/zinc/85/54/39/530855439.db2.gz LDYIAKMYHACGKT-UHFFFAOYSA-N 0 0 392.253 1.893 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC000186347352 530855620 /nfs/dbraw/zinc/85/56/20/530855620.db2.gz RIIJTGHRVBFZIS-MRVPVSSYSA-N 0 0 379.225 1.842 10 0 GDAERN O=C(c1c[nH]c2ccccc12)N1CSC[C@H]1C(=O)N1CCS(=O)CC1 ZINC000108271565 530856031 /nfs/dbraw/zinc/85/60/31/530856031.db2.gz FUNFQPBQKPSYKB-HNNXBMFYSA-N 0 0 377.491 1.274 10 0 GDAERN O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109105114 530861967 /nfs/dbraw/zinc/86/19/67/530861967.db2.gz FKAUJNUGZKJTHL-OLZOCXBDSA-N 0 0 390.477 1.563 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3ccc(Br)cn3)CC2)n1 ZINC000109653423 530864051 /nfs/dbraw/zinc/86/40/51/530864051.db2.gz VSYUWNBKTRYAJA-UHFFFAOYSA-N 0 0 392.257 1.995 10 0 GDAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187023945 530866554 /nfs/dbraw/zinc/86/65/54/530866554.db2.gz AHFFFFUZHDCGER-SWHYSGLUSA-N 0 0 376.222 1.884 10 0 GDAERN CCO[C@@H]1C[C@H](NC(=O)Cn2cc(Br)ccc2=O)C12CCOCC2 ZINC000187156207 530867807 /nfs/dbraw/zinc/86/78/07/530867807.db2.gz GJNLKHNRAZYWOL-UONOGXRCSA-N 0 0 399.285 1.701 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2ccc(C)c(I)c2)C1 ZINC000185272056 530839046 /nfs/dbraw/zinc/83/90/46/530839046.db2.gz 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/nfs/dbraw/zinc/90/42/94/530904294.db2.gz NGWCHBLDAFETDU-SECBINFHSA-N 0 0 388.205 1.650 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000116370669 530904721 /nfs/dbraw/zinc/90/47/21/530904721.db2.gz FCOZVKVTNHROSR-CYBMUJFWSA-N 0 0 382.511 1.338 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)s3)C2)cn1 ZINC000116466720 530905485 /nfs/dbraw/zinc/90/54/85/530905485.db2.gz HTFLBYWYQSRIMD-SNVBAGLBSA-N 0 0 397.298 1.990 10 0 GDAERN O=C(CCCS(=O)(=O)N1CCCC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187674552 530876809 /nfs/dbraw/zinc/87/68/09/530876809.db2.gz JJWDFYBGCYSBDA-HOTGVXAUSA-N 0 0 386.539 1.488 10 0 GDAERN NC(=O)[C@H]1CN(C(=O)NCc2c(F)cc(Br)cc2F)CCO1 ZINC000187825021 530878272 /nfs/dbraw/zinc/87/82/72/530878272.db2.gz KJJGOUFLOPIAGU-LLVKDONJSA-N 0 0 378.173 1.123 10 0 GDAERN COC[C@H](C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000112184306 530878625 /nfs/dbraw/zinc/87/86/25/530878625.db2.gz OZCYLLPCULPSBP-ZDUSSCGKSA-N 0 0 399.285 1.781 10 0 GDAERN 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ZINC000193056273 530979071 /nfs/dbraw/zinc/97/90/71/530979071.db2.gz OCNCAEWQLSODSS-LBPRGKRZSA-N 0 0 385.877 1.893 10 0 GDAERN CN(C)c1noc([C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)nc3)C2)n1 ZINC000193056250 530979111 /nfs/dbraw/zinc/97/91/11/530979111.db2.gz OCNCAEWQLSODSS-GFCCVEGCSA-N 0 0 385.877 1.893 10 0 GDAERN C[C@H](CNC(=O)c1cc(I)ccc1O)N1CCOCC1 ZINC000193279947 530983713 /nfs/dbraw/zinc/98/37/13/530983713.db2.gz CGEIUWTUCREVQF-SNVBAGLBSA-N 0 0 390.221 1.447 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000122418950 530971536 /nfs/dbraw/zinc/97/15/36/530971536.db2.gz RMJXMDNGOYXVLQ-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN Cn1nccc1C1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000124601720 530997816 /nfs/dbraw/zinc/99/78/16/530997816.db2.gz NJEJIHUPMBIFGA-UHFFFAOYSA-N 0 0 390.245 1.640 10 0 GDAERN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cc1Br ZINC000123727807 530987288 /nfs/dbraw/zinc/98/72/88/530987288.db2.gz FXEFRHLIXPPQOS-GFCCVEGCSA-N 0 0 384.274 1.533 10 0 GDAERN 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CC(C)(C(=O)NC[C@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000128092316 531037869 /nfs/dbraw/zinc/03/78/69/531037869.db2.gz JHOXDDQVGJLCSA-HNNXBMFYSA-N 0 0 385.302 1.536 10 0 GDAERN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000128374507 531040610 /nfs/dbraw/zinc/04/06/10/531040610.db2.gz NAUHFDUYIHQJAB-CYBMUJFWSA-N 0 0 392.930 1.837 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000245572797 531058562 /nfs/dbraw/zinc/05/85/62/531058562.db2.gz CNFXJOJRTRFKDT-OLZOCXBDSA-N 0 0 398.301 1.610 10 0 GDAERN CCN(C[C@H](O)COc1cccc(Br)c1)[C@H](C)CS(C)(=O)=O ZINC000246668706 531068673 /nfs/dbraw/zinc/06/86/73/531068673.db2.gz GFFHUJOBIAZMMM-OCCSQVGLSA-N 0 0 394.331 1.944 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000247241602 531073677 /nfs/dbraw/zinc/07/36/77/531073677.db2.gz ZZIHMDWFORVOLU-OLZOCXBDSA-N 0 0 398.301 1.610 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCC(c2cc[nH]n2)CC1 ZINC000131937416 531076362 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Cc1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccc1F ZINC000134704669 531103229 /nfs/dbraw/zinc/10/32/29/531103229.db2.gz KFVUHSHPDCLLPU-AWEZNQCLSA-N 0 0 376.475 1.323 10 0 GDAERN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703935 531103275 /nfs/dbraw/zinc/10/32/75/531103275.db2.gz BOJSBXSPGKFMOB-CQSZACIVSA-N 0 0 378.903 1.529 10 0 GDAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000247293095 531073267 /nfs/dbraw/zinc/07/32/67/531073267.db2.gz UGYWMLLCVZQDLE-CHWSQXEVSA-N 0 0 386.905 1.562 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000151578610 531140005 /nfs/dbraw/zinc/14/00/05/531140005.db2.gz UEXRPTKAXIBXQG-LLVKDONJSA-N 0 0 383.499 1.222 10 0 GDAERN CC[C@](O)(CNC(=O)C1=NN(C)C(=O)CC1)c1ccc(Br)cc1 ZINC000151110623 531133456 /nfs/dbraw/zinc/13/34/56/531133456.db2.gz PYLCXPUYXBBNFV-INIZCTEOSA-N 0 0 382.258 1.771 10 0 GDAERN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000151713139 531141825 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COc1cccc2c1cc1c(=O)n(CC(=O)NCCCOC(C)C)nc(C)n12 ZINC000006749771 570282289 /nfs/dbraw/zinc/28/22/89/570282289.db2.gz TWFCZENAXQZHTN-UHFFFAOYSA-N 0 0 386.452 1.898 10 0 GDAERN O=C(CN1CCCCC1=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000220245805 570383920 /nfs/dbraw/zinc/38/39/20/570383920.db2.gz YJXGIYUEGPHCFU-NRFANRHFSA-N 0 0 382.464 1.710 10 0 GDAERN CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000036157962 570554139 /nfs/dbraw/zinc/55/41/39/570554139.db2.gz IZLJSPDSFYZMCJ-LJQANCHMSA-N 0 0 387.480 1.292 10 0 GDAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)c3c(Cl)nc4ccccn43)C2)n1 ZINC000328612340 570554834 /nfs/dbraw/zinc/55/48/34/570554834.db2.gz OLHYHUQMYKEZHI-HNNXBMFYSA-N 0 0 397.844 1.215 10 0 GDAERN CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccco1)C(N)=O ZINC000224548117 570933090 /nfs/dbraw/zinc/93/30/90/570933090.db2.gz MOIXOFBAXPHGFF-KHBWCGBWSA-N 0 0 383.448 1.646 10 0 GDAERN Cn1ncc2c1ncn(CC(=O)Oc1ccc(F)cc1Br)c2=O ZINC000054585634 644461332 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530573640 /nfs/dbraw/zinc/57/36/40/530573640.db2.gz KUOSOXYGDSSZLA-NSHDSACASA-N 0 0 386.221 1.654 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000166820325 530583814 /nfs/dbraw/zinc/58/38/14/530583814.db2.gz QSHYPKWYSYTIRS-LLVKDONJSA-N 0 0 388.649 1.778 10 0 GDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000170822371 530589490 /nfs/dbraw/zinc/58/94/90/530589490.db2.gz RNURCSPGYDXUAN-PWSUYJOCSA-N 0 0 382.258 1.749 10 0 GDAERN Cc1nc(C[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)no1 ZINC000171336293 530597909 /nfs/dbraw/zinc/59/79/09/530597909.db2.gz OFQOAFIVBQOXIR-LBPRGKRZSA-N 0 0 384.483 1.199 10 0 GDAERN NS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000172224810 530610482 /nfs/dbraw/zinc/61/04/82/530610482.db2.gz UNZFANFDERFTHR-CYBMUJFWSA-N 0 0 380.495 1.880 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)N1CCOCC1 ZINC000041600899 530622588 /nfs/dbraw/zinc/62/25/88/530622588.db2.gz MQISSTNEJPMHDM-SNVBAGLBSA-N 0 0 388.237 1.364 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Br)cnc3N(C)C)CCO2)[nH]1 ZINC000173092760 530623013 /nfs/dbraw/zinc/62/30/13/530623013.db2.gz QLBCXBGEMBVPBJ-LBPRGKRZSA-N 0 0 395.261 1.550 10 0 GDAERN C[C@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1N1CCOCC1 ZINC000173877965 530638941 /nfs/dbraw/zinc/63/89/41/530638941.db2.gz TVPOBXVCUWQXEO-SMDDNHRTSA-N 0 0 397.269 1.971 10 0 GDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2=O)n(C)n1 ZINC000174041460 530642485 /nfs/dbraw/zinc/64/24/85/530642485.db2.gz UBEJDGWGUISZEI-AWEZNQCLSA-N 0 0 382.873 1.856 10 0 GDAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(F)c1)N1CCOCC1 ZINC000174629228 530651271 /nfs/dbraw/zinc/65/12/71/530651271.db2.gz NBTHQYXOZHLCCZ-JTQLQIEISA-N 0 0 388.237 1.364 10 0 GDAERN CCCCN(C)S(=O)(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000175219605 530661398 /nfs/dbraw/zinc/66/13/98/530661398.db2.gz IZAKRGYEPPXPOU-HNNXBMFYSA-N 0 0 375.560 1.996 10 0 GDAERN C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccccc1Br ZINC000175734865 530669887 /nfs/dbraw/zinc/66/98/87/530669887.db2.gz 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530695588 /nfs/dbraw/zinc/69/55/88/530695588.db2.gz OUIWWPXUGYJONV-OLZOCXBDSA-N 0 0 376.425 1.629 10 0 GDAERN O=S(=O)(/C=C/c1ccc(F)cc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000178456959 530720882 /nfs/dbraw/zinc/72/08/82/530720882.db2.gz DIOXAYZEOLFTJM-OQRGYWNNSA-N 0 0 388.486 1.626 10 0 GDAERN C[C@]1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000177334531 530701129 /nfs/dbraw/zinc/70/11/29/530701129.db2.gz RBWUGBMUCAUTNP-GUYCJALGSA-N 0 0 386.901 1.724 10 0 GDAERN O=C(CSC[C@@H](O)CO)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000177409404 530702571 /nfs/dbraw/zinc/70/25/71/530702571.db2.gz CMJLCEWGEGUXFC-AWEZNQCLSA-N 0 0 378.416 1.440 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)c1 ZINC000177728040 530709235 /nfs/dbraw/zinc/70/92/35/530709235.db2.gz XZJFQOJGOLEWDW-UHFFFAOYSA-N 0 0 395.232 1.799 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1Cn1ccnc1 ZINC000177815844 530711285 /nfs/dbraw/zinc/71/12/85/530711285.db2.gz CXXWZNPUWPLYJJ-NSHDSACASA-N 0 0 388.902 1.568 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)CCO2)[nH]1 ZINC000179378835 530739450 /nfs/dbraw/zinc/73/94/50/530739450.db2.gz ZLZZUCDVUFCDQT-JTQLQIEISA-N 0 0 382.833 1.405 10 0 GDAERN CNC(=O)[C@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)C(C)C ZINC000178685766 530725743 /nfs/dbraw/zinc/72/57/43/530725743.db2.gz AXJAMOLPYRRLLE-CQSZACIVSA-N 0 0 381.889 1.900 10 0 GDAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178703739 530726310 /nfs/dbraw/zinc/72/63/10/530726310.db2.gz XDSAHDCFDFTSTQ-CYBMUJFWSA-N 0 0 381.420 1.787 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(OC)ccc1Br)C(C)C ZINC000178924996 530730488 /nfs/dbraw/zinc/73/04/88/530730488.db2.gz IOXVDLZVPNIVBJ-GFCCVEGCSA-N 0 0 379.276 1.507 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000179892809 530752311 /nfs/dbraw/zinc/75/23/11/530752311.db2.gz RQXGJINZMSEQRK-BZNIZROVSA-N 0 0 382.258 1.936 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)COc2cccc(Br)c2)cn1 ZINC000181391669 530782821 /nfs/dbraw/zinc/78/28/21/530782821.db2.gz IJNYUBMEQHKHKZ-HNNXBMFYSA-N 0 0 379.258 1.735 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)[C@H]2COc3ccc(Br)cc32)cn1 ZINC000181438154 530783578 /nfs/dbraw/zinc/78/35/78/530783578.db2.gz SNQOPGPNUHIUGD-LSDHHAIUSA-N 0 0 391.269 1.832 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C[C@H]1C ZINC000182764182 530804966 /nfs/dbraw/zinc/80/49/66/530804966.db2.gz FVUHINFLEAFXIU-GFCCVEGCSA-N 0 0 399.289 1.270 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C[S@](C)=O)cc1 ZINC000182829384 530805659 /nfs/dbraw/zinc/80/56/59/530805659.db2.gz LVNMTXKIXSIZFD-RLZCXYDISA-N 0 0 388.555 1.571 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C[S@](C)=O)cc1 ZINC000182829422 530805775 /nfs/dbraw/zinc/80/57/75/530805775.db2.gz LVNMTXKIXSIZFD-WDNXAPGXSA-N 0 0 388.555 1.571 10 0 GDAERN COC(=O)[C@@H]1CCCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000069021315 530794025 /nfs/dbraw/zinc/79/40/25/530794025.db2.gz QIOWYCAGGDICAO-LLVKDONJSA-N 0 0 380.246 1.810 10 0 GDAERN CC(C)(C)OC(=O)NCCCNC(=O)Cn1cc(Br)ccc1=O ZINC000103444354 530834978 /nfs/dbraw/zinc/83/49/78/530834978.db2.gz UNYZALYPSIUWJW-UHFFFAOYSA-N 0 0 388.262 1.642 10 0 GDAERN Cc1cc2cc(C(=O)NC[C@@H](O)CN3CCOCC3)oc2c(Br)c1 ZINC000183068118 530809160 /nfs/dbraw/zinc/80/91/60/530809160.db2.gz QBAQNGLMRKBJEO-CYBMUJFWSA-N 0 0 397.269 1.927 10 0 GDAERN CCN(C(=O)c1cc(C)ccc1I)[C@@H]1CC(=O)NC1=O ZINC000101516035 530823904 /nfs/dbraw/zinc/82/39/04/530823904.db2.gz QXBWZCSHOLHTNN-LLVKDONJSA-N 0 0 386.189 1.477 10 0 GDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)cn1 ZINC000185920837 530848378 /nfs/dbraw/zinc/84/83/78/530848378.db2.gz HDEMXHJEJNCKKC-ZDUSSCGKSA-N 0 0 380.495 1.774 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc(F)cc1F ZINC000106656487 530849556 /nfs/dbraw/zinc/84/95/56/530849556.db2.gz BLIPOLAYPNWGMX-CQSZACIVSA-N 0 0 376.425 1.664 10 0 GDAERN Cc1nc(CCNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cs1 ZINC000106844072 530850062 /nfs/dbraw/zinc/85/00/62/530850062.db2.gz BIJRHYFNGHKPNH-SNVBAGLBSA-N 0 0 378.479 1.237 10 0 GDAERN CS(=O)(=O)N1CC(CNC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000187207488 530868530 /nfs/dbraw/zinc/86/85/30/530868530.db2.gz PZOFTRRDFJIJOZ-CYBMUJFWSA-N 0 0 379.404 1.351 10 0 GDAERN O=C(COc1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084309 530871778 /nfs/dbraw/zinc/87/17/78/530871778.db2.gz FYOCVQVFDLCOFQ-HNNXBMFYSA-N 0 0 380.242 1.952 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCNC(=O)CC1 ZINC000105080683 530841592 /nfs/dbraw/zinc/84/15/92/530841592.db2.gz XSNUKKMKQPVBHU-UHFFFAOYSA-N 0 0 383.246 1.228 10 0 GDAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(I)cc2)C1 ZINC000105282945 530842597 /nfs/dbraw/zinc/84/25/97/530842597.db2.gz UTKXNINFZDEOAL-LBPRGKRZSA-N 0 0 375.210 1.743 10 0 GDAERN CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(C)c1 ZINC000105591356 530843087 /nfs/dbraw/zinc/84/30/87/530843087.db2.gz JWXXTCMSSQWSBR-UHFFFAOYSA-N 0 0 384.454 1.794 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)cc3)C2)cn1 ZINC000116470051 530905038 /nfs/dbraw/zinc/90/50/38/530905038.db2.gz XFFUDJOWHNGASC-ZDUSSCGKSA-N 0 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COCCN1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C[C@@H]1C ZINC000117522879 530913361 /nfs/dbraw/zinc/91/33/61/530913361.db2.gz OMTLQKDXFRTAAE-LBPRGKRZSA-N 0 0 398.301 1.875 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC1 ZINC000189461096 530914254 /nfs/dbraw/zinc/91/42/54/530914254.db2.gz XRRQCOAVOPUIID-JTQLQIEISA-N 0 0 375.803 1.472 10 0 GDAERN COc1ccc(C(=O)N2CCCN(C)C(=O)C2)c(I)c1 ZINC000189794881 530920897 /nfs/dbraw/zinc/92/08/97/530920897.db2.gz PMVBXUHQQUBYLR-UHFFFAOYSA-N 0 0 388.205 1.604 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Br)cc1F ZINC000119294645 530923822 /nfs/dbraw/zinc/92/38/22/530923822.db2.gz VJNBCYSSKZADED-NSHDSACASA-N 0 0 376.226 1.403 10 0 GDAERN O=C(NCCc1ccc(Cl)nc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000121917521 530964489 /nfs/dbraw/zinc/96/44/89/530964489.db2.gz IMMVTBUAUUACHI-AWEZNQCLSA-N 0 0 386.905 1.487 10 0 GDAERN O=C(Cc1cc(F)c(F)cc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120031937 530935161 /nfs/dbraw/zinc/93/51/61/530935161.db2.gz 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ZINC000135924364 531112522 /nfs/dbraw/zinc/11/25/22/531112522.db2.gz KBWCCIZIOJKEAN-LLVKDONJSA-N 0 0 375.372 1.621 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151422550 531136876 /nfs/dbraw/zinc/13/68/76/531136876.db2.gz AKXMZTDHGJENPN-BONVTDFDSA-N 0 0 380.246 1.654 10 0 GDAERN COc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)c(I)c1 ZINC000151393578 531136969 /nfs/dbraw/zinc/13/69/69/531136969.db2.gz BQUGBFPEJIZEJC-LLVKDONJSA-N 0 0 390.221 1.360 10 0 GDAERN C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)c1nnc2n1CCCC2 ZINC000153046795 531161900 /nfs/dbraw/zinc/16/19/00/531161900.db2.gz HPEIPFBZOWSMQN-VIFPVBQESA-N 0 0 395.261 1.958 10 0 GDAERN C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000153528908 531168701 /nfs/dbraw/zinc/16/87/01/531168701.db2.gz AKXDWCYFQNYPFP-LBPRGKRZSA-N 0 0 384.274 1.016 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000154191430 531179496 /nfs/dbraw/zinc/17/94/96/531179496.db2.gz JJXSJHVQLQQHBT-UHFFFAOYSA-N 0 0 392.257 1.918 10 0 GDAERN 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/nfs/dbraw/zinc/64/23/92/954642392.db2.gz XCAAOXYDPZQZTG-SJORKVTESA-N 0 0 381.498 1.234 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689250940 968893316 /nfs/dbraw/zinc/89/33/16/968893316.db2.gz QTUAIFOVXZBLST-PVAVHDDUSA-N 0 0 381.498 1.280 10 0 GDAERN O=C([O-])c1sccc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702605285 977097245 /nfs/dbraw/zinc/09/72/45/977097245.db2.gz MQWUBJUUGFABLB-KRWDZBQOSA-N 0 0 396.490 1.362 10 0 GDAERN O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000712827531 977605658 /nfs/dbraw/zinc/60/56/58/977605658.db2.gz WKGMBJCVBZJEPR-KURKYZTESA-N 0 0 396.509 1.450 10 0 GDAERN CSCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000014967440 210135757 /nfs/dbraw/zinc/13/57/57/210135757.db2.gz CTEWKASMUQJBIN-CQSZACIVSA-N 0 0 389.443 1.875 10 0 GDAERN O=C(NCC1(c2cccc(Br)c2)CC1)C1CC2(C1)NC(=O)NC2=O ZINC000158460039 530533380 /nfs/dbraw/zinc/53/33/80/530533380.db2.gz NDVUPHQEPIXRAM-UHFFFAOYSA-N 0 0 392.253 1.585 10 0 GDAERN CCOC(=O)C1=C(NC(=O)CSc2nnnn2C)S[C@@H]2CCCC[C@@H]12 ZINC000004735870 530536428 /nfs/dbraw/zinc/53/64/28/530536428.db2.gz AARBTZYURUTCNL-NXEZZACHSA-N 0 0 383.499 1.499 10 0 GDAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000025376269 530581464 /nfs/dbraw/zinc/58/14/64/530581464.db2.gz KCYGLIJEGHQTTQ-UWVGGRQHSA-N 0 0 386.417 1.733 10 0 GDAERN C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCCO1 ZINC000027894586 530590285 /nfs/dbraw/zinc/59/02/85/530590285.db2.gz KERKABZPVRNXOI-NOZJJQNGSA-N 0 0 381.226 1.729 10 0 GDAERN C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCOCC1 ZINC000030338056 530598339 /nfs/dbraw/zinc/59/83/39/530598339.db2.gz CMNWGFMXQYGUEH-SNVBAGLBSA-N 0 0 384.832 1.940 10 0 GDAERN Cn1cc([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000171348499 530598650 /nfs/dbraw/zinc/59/86/50/530598650.db2.gz FFWFBDIDLTYQMT-NSHDSACASA-N 0 0 388.902 1.777 10 0 GDAERN O[C@@H](COc1cccc(Br)c1)CN1CCN(c2cccnn2)CC1 ZINC000170648789 530586660 /nfs/dbraw/zinc/58/66/60/530586660.db2.gz RSTDMLLVOKEAKC-OAHLLOKOSA-N 0 0 393.285 1.801 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000176287862 530681032 /nfs/dbraw/zinc/68/10/32/530681032.db2.gz PMDZEWRMUXUIMY-CYBMUJFWSA-N 0 0 383.861 1.413 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000176285268 530681219 /nfs/dbraw/zinc/68/12/19/530681219.db2.gz AFOBMWSJDOMZKI-ZDUSSCGKSA-N 0 0 392.257 1.730 10 0 GDAERN O=C(c1ncncc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000175125622 530659182 /nfs/dbraw/zinc/65/91/82/530659182.db2.gz CZZRFMPIGJASLT-UHFFFAOYSA-N 0 0 386.886 1.775 10 0 GDAERN C[C@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)N1CCOCC1 ZINC000047880030 530663158 /nfs/dbraw/zinc/66/31/58/530663158.db2.gz JVXCEZVYYVHMCM-SNVBAGLBSA-N 0 0 389.271 1.314 10 0 GDAERN Cc1nnc([C@H]2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)CCO2)[nH]1 ZINC000175776701 530670583 /nfs/dbraw/zinc/67/05/83/530670583.db2.gz SIEVWDURZNYKOM-GFCCVEGCSA-N 0 0 376.360 1.985 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176475340 530683754 /nfs/dbraw/zinc/68/37/54/530683754.db2.gz JGIXJMOTUSWGDA-SECBINFHSA-N 0 0 388.225 1.627 10 0 GDAERN CCn1c(C)nnc1CN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000176782553 530691075 /nfs/dbraw/zinc/69/10/75/530691075.db2.gz JSDOMSDIEOKRAP-UHFFFAOYSA-N 0 0 385.243 1.714 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000177136749 530697845 /nfs/dbraw/zinc/69/78/45/530697845.db2.gz YVGOYJFYUHYQOK-GFCCVEGCSA-N 0 0 395.253 1.750 10 0 GDAERN O=C(Nc1cccc(I)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177193357 530698876 /nfs/dbraw/zinc/69/88/76/530698876.db2.gz PXFOJDSPSNRJIT-NEPJUHHUSA-N 0 0 388.205 1.649 10 0 GDAERN C[C@H](SC[C@@H](O)CO)C(=O)Nc1cccc(I)c1 ZINC000177410215 530702387 /nfs/dbraw/zinc/70/23/87/530702387.db2.gz SGCYATMQVZBEDA-KWQFWETISA-N 0 0 381.235 1.705 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1=O ZINC000177971210 530713700 /nfs/dbraw/zinc/71/37/00/530713700.db2.gz LLRBYOGZXZQORL-OCCSQVGLSA-N 0 0 378.226 1.928 10 0 GDAERN O=C(c1ccc2ncc(I)n2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176520478 530684864 /nfs/dbraw/zinc/68/48/64/530684864.db2.gz QUGWTNYIQZKTNI-GFCCVEGCSA-N 0 0 396.232 1.859 10 0 GDAERN C[C@H](CNC(=O)NCCOc1cccc(Br)c1)N1CCOCC1 ZINC000057364431 530725525 /nfs/dbraw/zinc/72/55/25/530725525.db2.gz KTKVGTXWUGJSIR-CYBMUJFWSA-N 0 0 386.290 1.848 10 0 GDAERN CNC(=O)[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(C)C ZINC000178868227 530730406 /nfs/dbraw/zinc/73/04/06/530730406.db2.gz TWEHTRXFNKBNIO-CQSZACIVSA-N 0 0 384.274 1.456 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C ZINC000180044348 530755524 /nfs/dbraw/zinc/75/55/24/530755524.db2.gz ZXVOXRDTCMPYEE-SNVBAGLBSA-N 0 0 375.803 1.736 10 0 GDAERN CCn1c(C)nnc1CS(=O)(=O)CCC(=O)NCc1ccccc1Cl ZINC000180093948 530757592 /nfs/dbraw/zinc/75/75/92/530757592.db2.gz ZBGCRTWERLNPHY-UHFFFAOYSA-N 0 0 384.889 1.881 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000180204973 530759665 /nfs/dbraw/zinc/75/96/65/530759665.db2.gz VREQNLXUPVAEFZ-SNVBAGLBSA-N 0 0 381.148 1.794 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000180214905 530760799 /nfs/dbraw/zinc/76/07/99/530760799.db2.gz ZPYPJKDBVXCRED-LLVKDONJSA-N 0 0 398.282 1.704 10 0 GDAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1ccc(Br)cc1 ZINC000180216793 530760843 /nfs/dbraw/zinc/76/08/43/530760843.db2.gz PTGREXCGXRCIBQ-AWEZNQCLSA-N 0 0 393.241 1.270 10 0 GDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000180251934 530761287 /nfs/dbraw/zinc/76/12/87/530761287.db2.gz QNGKYOSMCAAPJV-IUODEOHRSA-N 0 0 396.285 1.567 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000180251920 530761573 /nfs/dbraw/zinc/76/15/73/530761573.db2.gz QNGKYOSMCAAPJV-WFASDCNBSA-N 0 0 396.285 1.567 10 0 GDAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cnn2cc(Br)cnc12 ZINC000180862154 530772789 /nfs/dbraw/zinc/77/27/89/530772789.db2.gz NLRZTHQNSJOMIB-UHFFFAOYSA-N 0 0 387.197 1.794 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCCNc2cccc(Br)c2)[C@H](C)CO1 ZINC000181045101 530777139 /nfs/dbraw/zinc/77/71/39/530777139.db2.gz OPSCPELHJSLIDG-VXGBXAGGSA-N 0 0 392.319 1.805 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cccc(I)c2)cn1 ZINC000181380129 530782302 /nfs/dbraw/zinc/78/23/02/530782302.db2.gz BJJKPRAQDIKLSQ-AWEZNQCLSA-N 0 0 396.232 1.811 10 0 GDAERN C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(Br)c1 ZINC000182579339 530801235 /nfs/dbraw/zinc/80/12/35/530801235.db2.gz ZPTXSXBZRNWJCY-VIFPVBQESA-N 0 0 392.257 1.574 10 0 GDAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cn1 ZINC000181694736 530789566 /nfs/dbraw/zinc/78/95/66/530789566.db2.gz XPXPAZZZGNYEBR-GFCCVEGCSA-N 0 0 380.861 1.285 10 0 GDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)C2)c1 ZINC000184608582 530829255 /nfs/dbraw/zinc/82/92/55/530829255.db2.gz NGKWQDDVAYTIBR-LBPRGKRZSA-N 0 0 377.392 1.976 10 0 GDAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C3CC3)CC2)c1 ZINC000103432557 530835134 /nfs/dbraw/zinc/83/51/34/530835134.db2.gz YTBISSAIRFUWME-UHFFFAOYSA-N 0 0 387.299 1.773 10 0 GDAERN COc1c(CN(C)CC(=O)Nc2ccc(Br)cn2)c(C)nn1C ZINC000093004948 530813051 /nfs/dbraw/zinc/81/30/51/530813051.db2.gz PSWOOKPFSBFRIH-UHFFFAOYSA-N 0 0 382.262 1.965 10 0 GDAERN CC(C)c1nnc(CS(=O)(=O)c2nncn2CCc2cccs2)n1C ZINC000183522363 530816278 /nfs/dbraw/zinc/81/62/78/530816278.db2.gz MZKRVTZPRADXTN-UHFFFAOYSA-N 0 0 380.499 1.808 10 0 GDAERN Nc1ncc(Br)cc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000097020299 530819959 /nfs/dbraw/zinc/81/99/59/530819959.db2.gz MMXZLTLDWLFNHO-LBPRGKRZSA-N 0 0 399.270 1.663 10 0 GDAERN CN(CCCNC(=O)c1ccc(-n2cnnn2)cc1Cl)CC(F)(F)F ZINC000103758553 530836617 /nfs/dbraw/zinc/83/66/17/530836617.db2.gz MEHCVCSGOAFBBW-UHFFFAOYSA-N 0 0 376.770 1.930 10 0 GDAERN CNc1nnc(CC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000183849810 530821581 /nfs/dbraw/zinc/82/15/81/530821581.db2.gz AAQSOSNWBFNQIU-NEPJUHHUSA-N 0 0 381.527 1.762 10 0 GDAERN O[C@H](COc1ccc(Br)cc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000106191623 530846637 /nfs/dbraw/zinc/84/66/37/530846637.db2.gz LSXCZJNKEOFWNL-DOTOQJQBSA-N 0 0 396.285 1.786 10 0 GDAERN COCC(=O)NC1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000185822169 530847551 /nfs/dbraw/zinc/84/75/51/530847551.db2.gz VFRXOVADYGWHQV-UHFFFAOYSA-N 0 0 395.257 1.587 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(Br)cc(OC)c1)C(C)C ZINC000185978086 530849824 /nfs/dbraw/zinc/84/98/24/530849824.db2.gz HUDFRIHAJZCAQK-GFCCVEGCSA-N 0 0 379.276 1.507 10 0 GDAERN CCO[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C12CCOCC2 ZINC000186459734 530856675 /nfs/dbraw/zinc/85/66/75/530856675.db2.gz VIDAPQHLRWWSAL-QWHCGFSZSA-N 0 0 385.258 1.841 10 0 GDAERN O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109105117 530861501 /nfs/dbraw/zinc/86/15/01/530861501.db2.gz FKAUJNUGZKJTHL-QWHCGFSZSA-N 0 0 390.477 1.563 10 0 GDAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3cnn(CC(F)F)c3)C2)no1 ZINC000186898978 530864371 /nfs/dbraw/zinc/86/43/71/530864371.db2.gz YJPGISCRMAQADR-NSHDSACASA-N 0 0 375.401 1.483 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)[C@H](C)NC(=O)c3cccs3)CC2)s1 ZINC000110944227 530871035 /nfs/dbraw/zinc/87/10/35/530871035.db2.gz MSBBXYLHPRNWAS-LBPRGKRZSA-N 0 0 378.523 1.976 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)c1cccc(Cl)c1 ZINC000185127947 530837387 /nfs/dbraw/zinc/83/73/87/530837387.db2.gz LJQDANSOTKJFPP-RDJZCZTQSA-N 0 0 388.917 1.868 10 0 GDAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)C1 ZINC000185228052 530838371 /nfs/dbraw/zinc/83/83/71/530838371.db2.gz XTROIHAEAYRADT-SNVBAGLBSA-N 0 0 387.299 1.903 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104798032 530840469 /nfs/dbraw/zinc/84/04/69/530840469.db2.gz SZWHIVQMZJEPAX-ZDUSSCGKSA-N 0 0 399.289 1.326 10 0 GDAERN O=C(NCCCN1CCOCC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000105292111 530842227 /nfs/dbraw/zinc/84/22/27/530842227.db2.gz KIGVYPFJOCCHTD-UHFFFAOYSA-N 0 0 386.949 1.951 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000188874383 530903618 /nfs/dbraw/zinc/90/36/18/530903618.db2.gz QNDZKXFOQDSZEV-SECBINFHSA-N 0 0 388.287 1.320 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000188948603 530904939 /nfs/dbraw/zinc/90/49/39/530904939.db2.gz FRPKHRSZHGKUHX-SECBINFHSA-N 0 0 378.226 1.641 10 0 GDAERN CC(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000111657314 530876479 /nfs/dbraw/zinc/87/64/79/530876479.db2.gz JCIFWOSMVTYUPC-SMDDNHRTSA-N 0 0 383.290 1.837 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187986271 530882230 /nfs/dbraw/zinc/88/22/30/530882230.db2.gz RTSZFYNAGCQBRU-UHFFFAOYSA-N 0 0 384.205 1.264 10 0 GDAERN Cc1ccc(I)c(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112646962 530883229 /nfs/dbraw/zinc/88/32/29/530883229.db2.gz VVRYOKCGYVLZOK-JTQLQIEISA-N 0 0 382.205 1.936 10 0 GDAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112650875 530883418 /nfs/dbraw/zinc/88/34/18/530883418.db2.gz JDTFDFMMJXFJLW-NXEZZACHSA-N 0 0 382.251 1.834 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000188155615 530887183 /nfs/dbraw/zinc/88/71/83/530887183.db2.gz YORPCTCDARBVCN-LBPRGKRZSA-N 0 0 395.257 1.899 10 0 GDAERN COc1cc(S(=O)(=O)N2CCCN(C)C(=O)C2)ccc1Br ZINC000188214946 530888887 /nfs/dbraw/zinc/88/88/87/530888887.db2.gz GXDNAJRNQZEWRW-UHFFFAOYSA-N 0 0 377.260 1.311 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000190472583 530931064 /nfs/dbraw/zinc/93/10/64/530931064.db2.gz GLOIZKZVJBFOQI-OAHLLOKOSA-N 0 0 394.269 1.401 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccncc1I)CC2 ZINC000119922829 530933041 /nfs/dbraw/zinc/93/30/41/530933041.db2.gz VDECIOAJOSVXJD-SECBINFHSA-N 0 0 397.220 1.585 10 0 GDAERN COCCN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000117290239 530911913 /nfs/dbraw/zinc/91/19/13/530911913.db2.gz XZJHTRMIQAFHNZ-LBPRGKRZSA-N 0 0 388.295 1.902 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000117369985 530912770 /nfs/dbraw/zinc/91/27/70/530912770.db2.gz DCMLWNLOWJRQOS-LBPRGKRZSA-N 0 0 377.304 1.790 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000118115933 530915991 /nfs/dbraw/zinc/91/59/91/530915991.db2.gz UZBWFAFRSNRTDO-SNVBAGLBSA-N 0 0 379.766 1.744 10 0 GDAERN Cc1cc(N2CCN(C(=O)c3cc(I)c[nH]3)CC2)n[nH]1 ZINC000189758340 530919900 /nfs/dbraw/zinc/91/99/00/530919900.db2.gz TYNJYPLHJIUKQW-UHFFFAOYSA-N 0 0 385.209 1.613 10 0 GDAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190092061 530925667 /nfs/dbraw/zinc/92/56/67/530925667.db2.gz DPNCAUMRXVUJFW-GFCCVEGCSA-N 0 0 375.441 1.793 10 0 GDAERN COc1ccc(Br)cc1S(=O)(=O)N1CCCNC(=O)[C@H]1C ZINC000190987749 530941190 /nfs/dbraw/zinc/94/11/90/530941190.db2.gz ICEPLYWUROGLFO-SECBINFHSA-N 0 0 377.260 1.357 10 0 GDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191253827 530946359 /nfs/dbraw/zinc/94/63/59/530946359.db2.gz SEYXIGHLTUWPJA-JTQLQIEISA-N 0 0 391.168 1.830 10 0 GDAERN C[C@@H]1COC[C@@H](C)N1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000120974232 530948269 /nfs/dbraw/zinc/94/82/69/530948269.db2.gz ZYGHWRQDQCTQQH-VXGBXAGGSA-N 0 0 384.274 1.613 10 0 GDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(I)c[nH]2)n1 ZINC000120969214 530948277 /nfs/dbraw/zinc/94/82/77/530948277.db2.gz AIGCDIRQTKOCLM-JTQLQIEISA-N 0 0 388.165 1.524 10 0 GDAERN CC(=O)NC1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000191499136 530949979 /nfs/dbraw/zinc/94/99/79/530949979.db2.gz AHZOPGCKOPYFEB-UHFFFAOYSA-N 0 0 381.205 1.734 10 0 GDAERN CC(=O)NC1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000191727926 530953367 /nfs/dbraw/zinc/95/33/67/530953367.db2.gz BJXBQVZOSJGHOJ-GFCCVEGCSA-N 0 0 377.666 1.663 10 0 GDAERN CC(C)(C)OC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000121448910 530956294 /nfs/dbraw/zinc/95/62/94/530956294.db2.gz DISKFXDZYRPFAQ-HNNXBMFYSA-N 0 0 390.933 1.822 10 0 GDAERN O=C(c1cncc(I)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000122813991 530976534 /nfs/dbraw/zinc/97/65/34/530976534.db2.gz RMGKLLZHYMZQJC-NSHDSACASA-N 0 0 397.220 1.830 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C1 ZINC000193031002 530978528 /nfs/dbraw/zinc/97/85/28/530978528.db2.gz MRWIAPBVDRTFPM-NSHDSACASA-N 0 0 383.246 1.218 10 0 GDAERN C[C@@H]1CN(C(=O)NCc2cc(F)cc(Br)c2)CCS1(=O)=O ZINC000123468435 530984024 /nfs/dbraw/zinc/98/40/24/530984024.db2.gz JIISNXUSQJDVDN-SECBINFHSA-N 0 0 379.251 1.917 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000122148178 530967281 /nfs/dbraw/zinc/96/72/81/530967281.db2.gz FCWWJMKWNCVPPI-AWEZNQCLSA-N 0 0 383.495 1.530 10 0 GDAERN O=C([C@@H]1CCCCC(=O)N1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000193805346 530993662 /nfs/dbraw/zinc/99/36/62/530993662.db2.gz HPVXMSXHXOSSLJ-ZDUSSCGKSA-N 0 0 381.274 1.552 10 0 GDAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000123681599 530986144 /nfs/dbraw/zinc/98/61/44/530986144.db2.gz BWUPFKMQMDSHFC-RYUDHWBXSA-N 0 0 377.268 1.570 10 0 GDAERN Cc1c(Br)ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1F ZINC000193511287 530988401 /nfs/dbraw/zinc/98/84/01/530988401.db2.gz WNVNSPJIUZQQHB-SECBINFHSA-N 0 0 386.221 1.572 10 0 GDAERN CN1CCO[C@@H](CNC(=O)COc2cccc(I)c2)C1 ZINC000194476797 531005835 /nfs/dbraw/zinc/00/58/35/531005835.db2.gz ZENXVLLLPXQTEV-ZDUSSCGKSA-N 0 0 390.221 1.117 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC(c2cc[nH]n2)CC1 ZINC000125543704 531007128 /nfs/dbraw/zinc/00/71/28/531007128.db2.gz BLQGZGDJMYTCON-UHFFFAOYSA-N 0 0 388.902 1.809 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000194609172 531007205 /nfs/dbraw/zinc/00/72/05/531007205.db2.gz QSGAIFTYHIXARV-OAHLLOKOSA-N 0 0 379.258 1.695 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2nccn2C)cs1 ZINC000125741318 531010156 /nfs/dbraw/zinc/01/01/56/531010156.db2.gz SGRBRQXWIWARAA-LBPRGKRZSA-N 0 0 383.499 1.686 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](c2c(F)cccc2F)N(C)C)[C@@H](C)CO1 ZINC000246107367 531064048 /nfs/dbraw/zinc/06/40/48/531064048.db2.gz HXBUFIOJTXMLOP-YWPYICTPSA-N 0 0 377.457 1.511 10 0 GDAERN C[C@@H]1COC[C@H](C)N1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000130748069 531064164 /nfs/dbraw/zinc/06/41/64/531064164.db2.gz AKRGVOQPMINXKM-AOOOYVTPSA-N 0 0 381.226 1.681 10 0 GDAERN COc1ncnc2c1CN(C(=O)c1cc(Br)c(C)[nH]c1=O)CC2 ZINC000130912758 531065111 /nfs/dbraw/zinc/06/51/11/531065111.db2.gz ZKBDCGIKHRYGPV-UHFFFAOYSA-N 0 0 379.214 1.855 10 0 GDAERN O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCN2CCCC[C@H]2C1 ZINC000246226224 531065442 /nfs/dbraw/zinc/06/54/42/531065442.db2.gz ZRVNXXXCSJOHFG-LBPRGKRZSA-N 0 0 379.404 1.882 10 0 GDAERN CN1CCO[C@H](CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000246525642 531067338 /nfs/dbraw/zinc/06/73/38/531067338.db2.gz WECGAJLDAMGSRF-CZUORRHYSA-N 0 0 398.301 1.863 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)F)C[C@H]1N1CCOCC1 ZINC000246524345 531067710 /nfs/dbraw/zinc/06/77/10/531067710.db2.gz OUIWWPXUGYJONV-CHWSQXEVSA-N 0 0 376.425 1.629 10 0 GDAERN Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000245422349 531056569 /nfs/dbraw/zinc/05/65/69/531056569.db2.gz PMNDEZZYGISWMI-MNOVXSKESA-N 0 0 396.328 1.954 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCCNc2cccc(Br)c2)[C@@H](C)CO1 ZINC000245525723 531057458 /nfs/dbraw/zinc/05/74/58/531057458.db2.gz OPSCPELHJSLIDG-NWDGAFQWSA-N 0 0 392.319 1.805 10 0 GDAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000245639596 531059442 /nfs/dbraw/zinc/05/94/42/531059442.db2.gz AATNMULDHCYPAZ-KBPBESRZSA-N 0 0 386.514 1.831 10 0 GDAERN O=C1CCCN1C[C@H](O)CN1CCO[C@H](c2ccccc2Br)C1 ZINC000247598707 531076265 /nfs/dbraw/zinc/07/62/65/531076265.db2.gz TVRPPWDCHCDXFJ-CJNGLKHVSA-N 0 0 383.286 1.806 10 0 GDAERN NC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000247777840 531076545 /nfs/dbraw/zinc/07/65/45/531076545.db2.gz YOSVCCJWRPRGEP-SNVBAGLBSA-N 0 0 378.479 1.723 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c(Br)c1 ZINC000249170653 531084382 /nfs/dbraw/zinc/08/43/82/531084382.db2.gz LEHNTXBKLGXKKU-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000133390984 531091581 /nfs/dbraw/zinc/09/15/81/531091581.db2.gz DLWHXYGCGBXRQF-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000246904303 531070138 /nfs/dbraw/zinc/07/01/38/531070138.db2.gz FUOCHCFZPMGJAR-NEPJUHHUSA-N 0 0 384.274 1.301 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CCN1C[C@H](C)O ZINC000246856706 531070222 /nfs/dbraw/zinc/07/02/22/531070222.db2.gz CJSINVAPRUOTSV-QWHCGFSZSA-N 0 0 398.301 1.691 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000247165682 531072665 /nfs/dbraw/zinc/07/26/65/531072665.db2.gz QRSHTXAGQFBNPF-ZAMGYDSWSA-N 0 0 376.475 1.706 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135723542 531111622 /nfs/dbraw/zinc/11/16/22/531111622.db2.gz GQOONJYRLKRLKE-LBPRGKRZSA-N 0 0 389.213 1.575 10 0 GDAERN O=C(c1cc(Br)c[nH]1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136438056 531114661 /nfs/dbraw/zinc/11/46/61/531114661.db2.gz IJFJKQXVDKXLCR-UHFFFAOYSA-N 0 0 376.218 1.177 10 0 GDAERN C[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000137521030 531117887 /nfs/dbraw/zinc/11/78/87/531117887.db2.gz WPJOJQKLYHZFLV-RCAYSMOQSA-N 0 0 380.242 1.741 10 0 GDAERN CC[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CCN1CCOC ZINC000152054272 531145640 /nfs/dbraw/zinc/14/56/40/531145640.db2.gz OFGZZDVFKKTMDI-CYBMUJFWSA-N 0 0 388.917 1.926 10 0 GDAERN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1CCNS(C)(=O)=O ZINC000152444863 531151584 /nfs/dbraw/zinc/15/15/84/531151584.db2.gz GJUJNLRYRGLNGT-FZMZJTMJSA-N 0 0 377.304 1.760 10 0 GDAERN O=C(Nc1ccccn1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1 ZINC000013208261 210053136 /nfs/dbraw/zinc/05/31/36/210053136.db2.gz DLJPDPQBIXLDLW-UHFFFAOYSA-N 0 0 376.376 1.704 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000154451832 531184039 /nfs/dbraw/zinc/18/40/39/531184039.db2.gz DGEKUACZOAWZBZ-ZBEGNZNMSA-N 0 0 382.258 1.936 10 0 GDAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000156282893 531204643 /nfs/dbraw/zinc/20/46/43/531204643.db2.gz WNJAPNBGNJKLTN-ZWNOBZJWSA-N 0 0 385.877 1.185 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407964037 531208473 /nfs/dbraw/zinc/20/84/73/531208473.db2.gz IKWIBULITLCSTA-SNVBAGLBSA-N 0 0 393.246 1.859 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)c1Cl ZINC000408031150 531212832 /nfs/dbraw/zinc/21/28/32/531212832.db2.gz KYNXALZESCJHNI-QGZVFWFLSA-N 0 0 386.901 1.786 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCc3c(Br)cccc3C2)C1 ZINC000408053575 531214355 /nfs/dbraw/zinc/21/43/55/531214355.db2.gz YTIHEXGFDNGDHT-QGZVFWFLSA-N 0 0 381.270 1.707 10 0 GDAERN COC(=O)C1CCC(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000408057073 531215755 /nfs/dbraw/zinc/21/57/55/531215755.db2.gz POUYDLQEAFFNBR-RUXDESIVSA-N 0 0 386.539 1.443 10 0 GDAERN O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCC[C@](F)(CO)C1 ZINC000408119494 531221184 /nfs/dbraw/zinc/22/11/84/531221184.db2.gz JSCSBNWKIJKNFC-CZUORRHYSA-N 0 0 390.502 1.614 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[C@H](C)CO1 ZINC000408234728 531227427 /nfs/dbraw/zinc/22/74/27/531227427.db2.gz HBSAKJKXWJFLGU-KFWWJZLASA-N 0 0 375.535 1.215 10 0 GDAERN Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)OC[C@@H]3C)CC2)s1 ZINC000408238578 531228857 /nfs/dbraw/zinc/22/88/57/531228857.db2.gz XNWBPPAWPCVRFJ-QWHCGFSZSA-N 0 0 387.527 1.168 10 0 GDAERN CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1 ZINC000408306126 531231950 /nfs/dbraw/zinc/23/19/50/531231950.db2.gz PDHCRYYFEVEECY-ORHYLEIMSA-N 0 0 386.436 1.400 10 0 GDAERN Cc1cc(F)c(NC(=O)N2C[C@H](O)[C@@H](O)C2)c(I)c1 ZINC000408396906 531237738 /nfs/dbraw/zinc/23/77/38/531237738.db2.gz RQVFWPHQMRPPRM-UWVGGRQHSA-N 0 0 380.157 1.308 10 0 GDAERN Cn1cc([C@]2(C)CN(c3ncnc4c3c(Br)nn4C)CCO2)cn1 ZINC000268420704 531510987 /nfs/dbraw/zinc/51/09/87/531510987.db2.gz XCAXXZZNKLOKPT-HNNXBMFYSA-N 0 0 392.261 1.611 10 0 GDAERN O=C1NCCN1C1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000296130217 531657880 /nfs/dbraw/zinc/65/78/80/531657880.db2.gz SGXVSTZFYXGREB-UHFFFAOYSA-N 0 0 396.213 1.125 10 0 GDAERN Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)c1cnn2cc(Br)cnc12 ZINC000623148010 531799074 /nfs/dbraw/zinc/79/90/74/531799074.db2.gz HMJUGTSPCPEZDH-VXGBXAGGSA-N 0 0 391.229 1.485 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)C[C@H]1C(N)=O ZINC000284700667 531981829 /nfs/dbraw/zinc/98/18/29/531981829.db2.gz JVWKGFMLAGMTTG-LDYMZIIASA-N 0 0 394.234 1.033 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C[C@H]1C(N)=O ZINC000284748555 531987357 /nfs/dbraw/zinc/98/73/57/531987357.db2.gz NPWGJOOKAQBLHI-RNFRBKRXSA-N 0 0 399.669 1.984 10 0 GDAERN C[C@H]1OCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@@H]1C(N)=O ZINC000284846881 531998934 /nfs/dbraw/zinc/99/89/34/531998934.db2.gz XERNUCGHYDSLTM-XCBNKYQSSA-N 0 0 397.678 1.366 10 0 GDAERN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)N1CCOC[C@H]1C ZINC000301395228 532033429 /nfs/dbraw/zinc/03/34/29/532033429.db2.gz LFKQXXJGGVIWGJ-WDEREUQCSA-N 0 0 381.420 1.874 10 0 GDAERN COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cc1OC ZINC000285200447 532046972 /nfs/dbraw/zinc/04/69/72/532046972.db2.gz VUTIPSBDUXUJLT-CHWSQXEVSA-N 0 0 390.889 1.451 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330216771 532118174 /nfs/dbraw/zinc/11/81/74/532118174.db2.gz NJLAUKDBQHWWHY-ZACQAIPSSA-N 0 0 390.571 1.752 10 0 GDAERN CN1C(=O)N[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000285935228 532122113 /nfs/dbraw/zinc/12/21/13/532122113.db2.gz VHCQKOBKBOBAOA-QLFBSQMISA-N 0 0 393.285 1.652 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CC[C@@H]21 ZINC000286424592 532149150 /nfs/dbraw/zinc/14/91/50/532149150.db2.gz SHPIQKHLOHQSQS-MNOVXSKESA-N 0 0 382.214 1.416 10 0 GDAERN C[C@@H]1CN(C(=O)Nc2nnc3ccc(Br)cn32)C[C@H](C2CC2)O1 ZINC000333047121 532216873 /nfs/dbraw/zinc/21/68/73/532216873.db2.gz BBJZCGDGGUDXRY-BXKDBHETSA-N 0 0 380.246 2.523 10 0 GDAERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NS(=O)(=O)N1CCCCCC1 ZINC000333405271 532232544 /nfs/dbraw/zinc/23/25/44/532232544.db2.gz FPQQNXRPJBYHSL-CQSZACIVSA-N 0 0 390.531 1.392 10 0 GDAERN C[C@H]1OCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333150355 532222331 /nfs/dbraw/zinc/22/23/31/532222331.db2.gz FRBFNYMQPFKVBR-ZYHUDNBSSA-N 0 0 385.262 1.980 10 0 GDAERN C[C@H]1OCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000333150351 532222904 /nfs/dbraw/zinc/22/29/04/532222904.db2.gz FRBFNYMQPFKVBR-PWSUYJOCSA-N 0 0 385.262 1.980 10 0 GDAERN Cc1cc2c(Br)ccnc2cc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000333577079 532241226 /nfs/dbraw/zinc/24/12/26/532241226.db2.gz QQXXXMCBUDTNFV-NSHDSACASA-N 0 0 389.253 1.453 10 0 GDAERN Cc1nnc([C@@H]2CCN(C(=O)Nc3nnc4ccc(Br)cn43)C2)[nH]1 ZINC000333725476 532247093 /nfs/dbraw/zinc/24/70/93/532247093.db2.gz HBYUGXGLYSZZIS-SECBINFHSA-N 0 0 391.233 1.940 10 0 GDAERN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CC2(CC2)C1 ZINC000333820144 532251638 /nfs/dbraw/zinc/25/16/38/532251638.db2.gz JPOWKZRIDZJLMA-UHFFFAOYSA-N 0 0 385.873 1.989 10 0 GDAERN CC(C)CS(=O)(=O)NCc1ccc(CNS(=O)(=O)CC(C)C)cc1 ZINC000002748908 209382818 /nfs/dbraw/zinc/38/28/18/209382818.db2.gz MCARKIBHSYICAK-UHFFFAOYSA-N 0 0 376.544 1.837 10 0 GDAERN O=C(N[C@H](NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl)c1ccco1 ZINC000001094126 209299195 /nfs/dbraw/zinc/29/91/95/209299195.db2.gz OFUKUZSODVCAND-MRVPVSSYSA-N 0 0 383.648 1.415 10 0 GDAERN CC(C)(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000017854211 209183005 /nfs/dbraw/zinc/18/30/05/209183005.db2.gz DIKPYXRIBRNYBN-UHFFFAOYSA-N 0 0 391.487 1.905 10 0 GDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2ccc3c(c2)OCO3)cn1 ZINC000328644894 209153017 /nfs/dbraw/zinc/15/30/17/209153017.db2.gz ZMYKYXJZMQTEOX-AWEZNQCLSA-N 0 0 377.422 1.244 10 0 GDAERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cc(C)n(CC)c2C)cn1 ZINC000328627705 209149252 /nfs/dbraw/zinc/14/92/52/209149252.db2.gz MYTFHFQDEFJQRK-QGZVFWFLSA-N 0 0 378.498 1.953 10 0 GDAERN CC(C)n1cc(C[C@@H]2NC(=O)N(CCN3CCCc4ccccc43)C2=O)nn1 ZINC000328616012 209147018 /nfs/dbraw/zinc/14/70/18/209147018.db2.gz ZMKBTRWSCYLXIQ-KRWDZBQOSA-N 0 0 382.468 1.979 10 0 GDAERN COC(=O)CC(=Nc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1 ZINC000096300958 211333680 /nfs/dbraw/zinc/33/36/80/211333680.db2.gz JQNVDZWQDGUWMM-WJDWOHSUSA-N 0 0 389.433 1.119 10 0 GDAERN Cc1ccc(Cn2c3cccnc3n(CCNC(=O)[C@H]3CCOC3)c2=O)cc1 ZINC000096385993 211338638 /nfs/dbraw/zinc/33/86/38/211338638.db2.gz ILKXAZMOYVZDBB-KRWDZBQOSA-N 0 0 380.448 1.707 10 0 GDAERN CC(C)CCN1C[C@@]23CN(C(=O)c4ccccc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146054 211310391 /nfs/dbraw/zinc/31/03/91/211310391.db2.gz SOQAQCLXGWUVST-AOIWGVFYSA-N 0 0 378.494 1.730 10 0 GDAERN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2nccnc21)NC1CCCC1 ZINC000064887722 210952786 /nfs/dbraw/zinc/95/27/86/210952786.db2.gz SFWJGNBSRKSXAK-UHFFFAOYSA-N 0 0 393.447 1.255 10 0 GDAERN CCC(=O)N1CCC([C@@H](NC(=O)c2ccc(C)cc2)C(=O)NCCOC)CC1 ZINC000036212939 210713675 /nfs/dbraw/zinc/71/36/75/210713675.db2.gz ZOFQTHGIQFWFTA-LJQANCHMSA-N 0 0 389.496 1.505 10 0 GDAERN COC(=O)C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OC(C)C ZINC000020569082 210348891 /nfs/dbraw/zinc/34/88/91/210348891.db2.gz RJTNLIRTLFSVOA-FQEVSTJZSA-N 0 0 386.404 1.500 10 0 GDAERN O=C(NCCN1CCCC1=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000011839620 221131204 /nfs/dbraw/zinc/13/12/04/221131204.db2.gz SVJSHEKFSMHDLE-MRXNPFEDSA-N 0 0 391.899 1.860 10 0 GDAERN O=C(NCCCN1CCCC1=O)c1nc(-c2ccc(N3CCCCC3)nc2)no1 ZINC000064758181 136157515 /nfs/dbraw/zinc/15/75/15/136157515.db2.gz CCHOKEBLRSUROU-UHFFFAOYSA-N 0 0 398.467 1.864 10 0 GDAERN CNC(=O)c1cccnc1N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091663343 136176804 /nfs/dbraw/zinc/17/68/04/136176804.db2.gz RAMJMBMEEXPAML-UHFFFAOYSA-N 0 0 396.495 1.616 10 0 GDAERN CC(=O)N1CCc2c(ncn(CC(=O)N[C@H](C)c3ccc(Cl)cc3)c2=O)C1 ZINC000275528920 519629562 /nfs/dbraw/zinc/62/95/62/519629562.db2.gz LRZDIIQPVWOPKY-GFCCVEGCSA-N 0 0 388.855 1.679 10 0 GDAERN COc1ccc2c(c1OC)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@]4(OC)[C@@H](OC)C(=O)C3 ZINC000096023776 570283885 /nfs/dbraw/zinc/28/38/85/570283885.db2.gz UTTZNWQGZHNUIG-DXUGQKIESA-N 0 0 389.448 1.821 10 0 biogenic GDAERN COC(=O)c1cc2n(n1)CCN(C(=O)C[C@H]1C(=O)Nc3c1ccc(C)c3C)C2 ZINC000102500532 570289543 /nfs/dbraw/zinc/28/95/43/570289543.db2.gz JASZMNIBSURVAA-OAHLLOKOSA-N 0 0 382.420 1.755 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc2c1OCCO2 ZINC000268504595 570542545 /nfs/dbraw/zinc/54/25/45/570542545.db2.gz PSIPFUXJORHBRY-NSHDSACASA-N 0 0 380.426 1.009 10 0 GDAERN COc1ccccc1-n1cc(-c2ccn(CC(=O)Nc3cnn(C)n3)n2)cn1 ZINC000048221839 570656220 /nfs/dbraw/zinc/65/62/20/570656220.db2.gz DEKIBHUXBXEPGG-UHFFFAOYSA-N 0 0 378.396 1.512 10 0 GDAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc2C[C@H]1C ZINC000176744553 570723571 /nfs/dbraw/zinc/72/35/71/570723571.db2.gz RFHDMADZPAPXRB-IAQYHMDHSA-N 0 0 375.454 1.389 10 0 GDAERN O=S(=O)(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccc2nonc21 ZINC000583623035 570801556 /nfs/dbraw/zinc/80/15/56/570801556.db2.gz OZQLGTLNRQJXGS-PWSUYJOCSA-N 0 0 391.409 1.682 10 0 GDAERN C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])sc2Br)C1 ZINC000062966652 644518360 /nfs/dbraw/zinc/51/83/60/644518360.db2.gz QSMVREYEJJTUIV-SSDOTTSWSA-N 0 0 383.289 1.533 10 0 GDAERN CN(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)/C=C\c2cccc(Cl)c2)C1 ZINC000096856654 644594248 /nfs/dbraw/zinc/59/42/48/644594248.db2.gz ACVHZNZNMXVYGX-CDNLZTBQSA-N 0 0 385.917 1.988 10 0 GDAERN CCOCCS(=O)(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000116899369 644649058 /nfs/dbraw/zinc/64/90/58/644649058.db2.gz TVSJFTJJFAVMON-UHFFFAOYSA-N 0 0 378.926 1.120 10 0 GDAERN CCCn1c(CO)nn(CN2CCN(Cc3cnc(C)s3)CC2)c1=S ZINC000120473361 644671161 /nfs/dbraw/zinc/67/11/61/644671161.db2.gz UXMSQDFFICUMEX-UHFFFAOYSA-N 0 0 382.559 1.857 10 0 GDAERN C[C@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccc(Br)cc1 ZINC000126673622 644722442 /nfs/dbraw/zinc/72/24/42/644722442.db2.gz MMUUEWRAYGFIMI-GWCFXTLKSA-N 0 0 375.288 1.403 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000172030729 644881119 /nfs/dbraw/zinc/88/11/19/644881119.db2.gz QJAAAVHHWHVZQV-ZDUSSCGKSA-N 0 0 390.937 1.262 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174287055 644898649 /nfs/dbraw/zinc/89/86/49/644898649.db2.gz BAEGITFCVRYEBG-CHWSQXEVSA-N 0 0 388.917 1.661 10 0 GDAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ncc(Cl)n1C ZINC000176109234 644909124 /nfs/dbraw/zinc/90/91/24/644909124.db2.gz SKTDIEVISZTARP-SECBINFHSA-N 0 0 375.809 1.623 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000574784917 651568563 /nfs/dbraw/zinc/56/85/63/651568563.db2.gz XAYXSZFEEBHWEM-LSDHHAIUSA-N 0 0 385.507 1.588 10 0 GDAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(Cl)ccc1I ZINC000600587213 652546462 /nfs/dbraw/zinc/54/64/62/652546462.db2.gz RMDGLIXNQFDKMI-MNOVXSKESA-N 0 0 381.597 1.824 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCO[C@@H]3CCN(C)C[C@@H]32)n1 ZINC000893767680 658445085 /nfs/dbraw/zinc/44/50/85/658445085.db2.gz GSUHDRXFNFDSCV-NWDGAFQWSA-N 0 0 385.262 1.325 10 0 GDAERN CS(=O)(=O)NCc1ccc(NC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)cc1 ZINC000900745458 659142497 /nfs/dbraw/zinc/14/24/97/659142497.db2.gz HRZZBGGGSDDZPT-AGUYFDCRSA-N 0 0 382.507 1.633 10 0 GDAERN CC(C)(C)c1csc([C@@H]2CN(C(=O)C3CN(S(C)(=O)=O)C3)CCO2)n1 ZINC000908041069 659859518 /nfs/dbraw/zinc/85/95/18/659859518.db2.gz DIXHIHNZZGNBDK-LBPRGKRZSA-N 0 0 387.527 1.232 10 0 GDAERN O=C(c1csc(I)n1)N1CC[C@@H](n2ccnn2)C1 ZINC000911829010 660019139 /nfs/dbraw/zinc/01/91/39/660019139.db2.gz DNHATMCHXUJDTH-SSDOTTSWSA-N 0 0 375.195 1.426 10 0 GDAERN O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000912823914 660055540 /nfs/dbraw/zinc/05/55/40/660055540.db2.gz NNFVZXIOQLQMGN-HUORLRHWSA-N 0 0 379.503 1.731 10 0 GDAERN C[C@@]1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000689235275 954648556 /nfs/dbraw/zinc/64/85/56/954648556.db2.gz MNWSXYQVEXJLQG-WMZOPIPTSA-N 0 0 381.498 1.282 10 0 GDAERN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000716177832 955127447 /nfs/dbraw/zinc/12/74/47/955127447.db2.gz NTNVBMCRPWRFSL-QAPCUYQASA-N 0 0 395.525 1.528 10 0 GDAERN O=C([O-])CS(=O)(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714983995 969080324 /nfs/dbraw/zinc/08/03/24/969080324.db2.gz IQBGZHBKLBQVFV-MSOLQXFVSA-N 0 0 380.510 1.472 10 0 GDAERN COCCCNC(=O)c1nn(C)c2c1CN(Cc1nc3ccccc3n1C)CC2 ZINC000019112807 210226008 /nfs/dbraw/zinc/22/60/08/210226008.db2.gz YPKDABFLVFUPNK-UHFFFAOYSA-N 0 0 396.495 1.631 10 0 GDAERN Cc1cnn(CCNC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)c1 ZINC000158695134 530534447 /nfs/dbraw/zinc/53/44/47/530534447.db2.gz ZHTVQOJBCWEQML-UHFFFAOYSA-N 0 0 385.515 1.148 10 0 GDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCO2)c1 ZINC000158897692 530537037 /nfs/dbraw/zinc/53/70/37/530537037.db2.gz GAWFISZRFIOMFG-NSHDSACASA-N 0 0 391.280 1.983 10 0 GDAERN COc1ccc(Cl)cc1S(=O)(=O)NCc1nc2nc(C)cc(C)n2n1 ZINC000006808183 530543126 /nfs/dbraw/zinc/54/31/26/530543126.db2.gz BHHXKOSJLCJYSY-UHFFFAOYSA-N 0 0 381.845 1.882 10 0 GDAERN COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000171184000 530595270 /nfs/dbraw/zinc/59/52/70/530595270.db2.gz YNEKMBRRROWZHT-RYUDHWBXSA-N 0 0 383.242 1.964 10 0 GDAERN CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)CC)CC3)n1CC ZINC000033287929 530612660 /nfs/dbraw/zinc/61/26/60/530612660.db2.gz UZJUXFCCSOYNIR-UHFFFAOYSA-N 0 0 384.531 1.518 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000173351390 530628298 /nfs/dbraw/zinc/62/82/98/530628298.db2.gz JKPIXUQTWYRUSK-CYBMUJFWSA-N 0 0 396.285 1.629 10 0 GDAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000042852053 530631966 /nfs/dbraw/zinc/63/19/66/530631966.db2.gz FIJCYKSOJBMYFQ-GHMZBOCLSA-N 0 0 377.388 1.721 10 0 GDAERN O=C(NCCOc1cccc(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173782349 530637014 /nfs/dbraw/zinc/63/70/14/530637014.db2.gz BIJAYNDWJPHAQQ-HNNXBMFYSA-N 0 0 398.301 1.944 10 0 GDAERN C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@H]1N1CCOCC1 ZINC000173845891 530638516 /nfs/dbraw/zinc/63/85/16/530638516.db2.gz BMFJEWQXLYEIQL-WDEREUQCSA-N 0 0 394.465 1.537 10 0 GDAERN O=Cc1ccc(OCC(=O)N2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000174012833 530641507 /nfs/dbraw/zinc/64/15/07/530641507.db2.gz AXRMQJOYFAATKX-AWEZNQCLSA-N 0 0 397.269 1.574 10 0 GDAERN O=C(c1cccc(Br)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000038510381 530617746 /nfs/dbraw/zinc/61/77/46/530617746.db2.gz DPAULWANFFQILN-UHFFFAOYSA-N 0 0 387.241 1.849 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000176284012 530681229 /nfs/dbraw/zinc/68/12/29/530681229.db2.gz CNHCVEQVSUCIDY-LBPRGKRZSA-N 0 0 383.861 1.876 10 0 GDAERN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ncn(C)c3Cl)CC2)no1 ZINC000045799421 530647017 /nfs/dbraw/zinc/64/70/17/530647017.db2.gz ZHOHCDLQVRCQOE-UHFFFAOYSA-N 0 0 387.849 1.409 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(Br)cn3C)C2=O)n(C)n1 ZINC000174982786 530657126 /nfs/dbraw/zinc/65/71/26/530657126.db2.gz FWTYMOFRKBKAAK-LBPRGKRZSA-N 0 0 394.273 1.755 10 0 GDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000176556412 530685593 /nfs/dbraw/zinc/68/55/93/530685593.db2.gz SQRZSCQXGLGGJR-TZMCWYRMSA-N 0 0 391.295 1.912 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176993169 530695490 /nfs/dbraw/zinc/69/54/90/530695490.db2.gz LCULKTCHJZLLGC-MFKMUULPSA-N 0 0 380.297 1.730 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000177135231 530698076 /nfs/dbraw/zinc/69/80/76/530698076.db2.gz MBLHIAJLCJBQNN-SECBINFHSA-N 0 0 387.205 1.938 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CCN1C[C@@H](C)O ZINC000177612727 530707201 /nfs/dbraw/zinc/70/72/01/530707201.db2.gz YVJYSHRKKVHYQB-DOMZBBRYSA-N 0 0 398.301 1.691 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177636141 530707907 /nfs/dbraw/zinc/70/79/07/530707907.db2.gz TVYIFDMJTPZLLG-JTQLQIEISA-N 0 0 378.230 1.419 10 0 GDAERN O=S(=O)(Cc1coc(-c2ccc(Br)cc2)n1)C[C@H](O)CO ZINC000177670944 530708215 /nfs/dbraw/zinc/70/82/15/530708215.db2.gz FWHVETYKZNSNIS-GFCCVEGCSA-N 0 0 376.228 1.372 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1=O ZINC000177982018 530714322 /nfs/dbraw/zinc/71/43/22/530714322.db2.gz UTZCDQDDZVLYBP-LLVKDONJSA-N 0 0 381.234 1.608 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C[C@@H]1N1CCOCC1 ZINC000179381132 530739284 /nfs/dbraw/zinc/73/92/84/530739284.db2.gz LXUUSLYMYMFAGT-YPMHNXCESA-N 0 0 384.889 1.558 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccc(F)c(I)c1)C(C)C ZINC000178688707 530725586 /nfs/dbraw/zinc/72/55/86/530725586.db2.gz NWEJNXXNGKNVDQ-LLVKDONJSA-N 0 0 378.185 1.931 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)C(C)C ZINC000179079817 530734678 /nfs/dbraw/zinc/73/46/78/530734678.db2.gz XITAXVPQDCXUJM-LLVKDONJSA-N 0 0 390.665 1.928 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)sc1Br ZINC000180096608 530758072 /nfs/dbraw/zinc/75/80/72/530758072.db2.gz UFGDDJHQGOTQHD-VIFPVBQESA-N 0 0 392.304 1.831 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(I)cc1Cl ZINC000180212139 530760543 /nfs/dbraw/zinc/76/05/43/530760543.db2.gz KNCGBRQRFPJADU-JTQLQIEISA-N 0 0 394.596 1.271 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3Cl)CCO2)[nH]1 ZINC000180225506 530760982 /nfs/dbraw/zinc/76/09/82/530760982.db2.gz FPNSDQLOPBMSRT-LLVKDONJSA-N 0 0 384.223 1.959 10 0 GDAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000180247173 530761435 /nfs/dbraw/zinc/76/14/35/530761435.db2.gz SSJRMQKJAKUQDO-IUODEOHRSA-N 0 0 396.285 1.567 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2n[nH]c3ccc(Br)cc32)cn1 ZINC000181323153 530781879 /nfs/dbraw/zinc/78/18/79/530781879.db2.gz GALOOANDBPDQRL-AWEZNQCLSA-N 0 0 389.257 1.846 10 0 GDAERN COc1ccc(Br)c(CC(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 ZINC000181440869 530783821 /nfs/dbraw/zinc/78/38/21/530783821.db2.gz ZLGZIUZIDDWHGD-INIZCTEOSA-N 0 0 393.285 1.907 10 0 GDAERN CCOC(=O)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1cccc(Br)c1 ZINC000182754970 530803964 /nfs/dbraw/zinc/80/39/64/530803964.db2.gz LYBQUHHIEDUIJF-DGCLKSJQSA-N 0 0 383.242 1.696 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)c1 ZINC000181689462 530789491 /nfs/dbraw/zinc/78/94/91/530789491.db2.gz HFNUYVRNKFROSN-CQSZACIVSA-N 0 0 399.314 1.826 10 0 GDAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000184583723 530829247 /nfs/dbraw/zinc/82/92/47/530829247.db2.gz LHXBDBDKIHUKMV-JTQLQIEISA-N 0 0 382.408 1.735 10 0 GDAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cn1 ZINC000184535935 530829430 /nfs/dbraw/zinc/82/94/30/530829430.db2.gz LIFGJXUGZYVVEG-ZDUSSCGKSA-N 0 0 380.495 1.808 10 0 GDAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000184583745 530829733 /nfs/dbraw/zinc/82/97/33/530829733.db2.gz LHXBDBDKIHUKMV-SNVBAGLBSA-N 0 0 382.408 1.735 10 0 GDAERN COCCCCS(=O)(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000185033087 530835202 /nfs/dbraw/zinc/83/52/02/530835202.db2.gz BISPAWIEZXGVOQ-OAHLLOKOSA-N 0 0 376.544 1.776 10 0 GDAERN COc1cc([C@@H]2NC(=O)[C@@H]3COCCN23)cc(Br)c1OC(F)F ZINC000093885286 530814047 /nfs/dbraw/zinc/81/40/47/530814047.db2.gz SFCCCOBXOUMNQA-JOYOIKCWSA-N 0 0 393.184 1.888 10 0 GDAERN Cc1csc([C@@H](C)CNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000183943825 530821723 /nfs/dbraw/zinc/82/17/23/530821723.db2.gz TVPCYNSFAYTKSG-JSGCOSHPSA-N 0 0 386.543 1.765 10 0 GDAERN Cc1noc(CCNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)n1 ZINC000102033298 530826684 /nfs/dbraw/zinc/82/66/84/530826684.db2.gz UQSWAKRULCSKBI-SNVBAGLBSA-N 0 0 389.239 1.966 10 0 GDAERN CC[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCN1C[C@@H](C)O ZINC000106103155 530846543 /nfs/dbraw/zinc/84/65/43/530846543.db2.gz YIWRWIPDFQCRBA-UKRRQHHQSA-N 0 0 376.469 1.960 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000106159869 530847035 /nfs/dbraw/zinc/84/70/35/530847035.db2.gz UULYDEZYZNFRAJ-UHFFFAOYSA-N 0 0 381.830 1.432 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)C(C)C ZINC000186191112 530853026 /nfs/dbraw/zinc/85/30/26/530853026.db2.gz FAQWTHSRHPOBRF-GFCCVEGCSA-N 0 0 391.287 1.433 10 0 GDAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111360036 530874634 /nfs/dbraw/zinc/87/46/34/530874634.db2.gz WULILNHUMBKJNK-LBPRGKRZSA-N 0 0 381.845 1.274 10 0 GDAERN Cc1nc([C@@H]2CCCN2C(=O)NCC2CCN(S(C)(=O)=O)CC2)cs1 ZINC000186507739 530857202 /nfs/dbraw/zinc/85/72/02/530857202.db2.gz IPBQQOWGBWHJQO-HNNXBMFYSA-N 0 0 386.543 1.970 10 0 GDAERN CNC(=O)[C@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)C(C)C ZINC000186765454 530861624 /nfs/dbraw/zinc/86/16/24/530861624.db2.gz NFVNNUAYAKHJIB-GFCCVEGCSA-N 0 0 395.261 1.922 10 0 GDAERN CCNC(=O)CCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000104847962 530840781 /nfs/dbraw/zinc/84/07/81/530840781.db2.gz MKQZTJHEYIDULV-UHFFFAOYSA-N 0 0 383.290 1.799 10 0 GDAERN CN1CCO[C@@H](CNC(=O)Nc2cccc(I)c2)C1 ZINC000105280577 530842164 /nfs/dbraw/zinc/84/21/64/530842164.db2.gz DQMBEAGXLUBIMT-LBPRGKRZSA-N 0 0 375.210 1.743 10 0 GDAERN CN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000105599253 530844001 /nfs/dbraw/zinc/84/40/01/530844001.db2.gz JFTVUHGFPLWRQB-LBPRGKRZSA-N 0 0 380.388 1.621 10 0 GDAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000116070037 530902630 /nfs/dbraw/zinc/90/26/30/530902630.db2.gz QOIDQNVIHLWLCQ-SNVBAGLBSA-N 0 0 379.276 1.839 10 0 GDAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1 ZINC000116899866 530910017 /nfs/dbraw/zinc/91/00/17/530910017.db2.gz JDZVKHGZZLQFJF-ZDUSSCGKSA-N 0 0 386.909 1.691 10 0 GDAERN C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1Br ZINC000116934096 530910379 /nfs/dbraw/zinc/91/03/79/530910379.db2.gz HFBOVNOTGUFFPT-WDEREUQCSA-N 0 0 390.303 1.843 10 0 GDAERN O=C(Nc1cccc(Br)c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188020561 530882858 /nfs/dbraw/zinc/88/28/58/530882858.db2.gz HDWMDOIJYWICRD-UHFFFAOYSA-N 0 0 380.242 1.515 10 0 GDAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1I ZINC000112657635 530883564 /nfs/dbraw/zinc/88/35/64/530883564.db2.gz RVLMFNPRVVLBQQ-SECBINFHSA-N 0 0 386.168 1.767 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cc1Br ZINC000188140181 530886235 /nfs/dbraw/zinc/88/62/35/530886235.db2.gz HUNPAVFNKNSCJK-CYBMUJFWSA-N 0 0 395.301 1.120 10 0 GDAERN CN1CCCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1=O ZINC000188216246 530888524 /nfs/dbraw/zinc/88/85/24/530888524.db2.gz OBRQZGRMBNYOIN-UHFFFAOYSA-N 0 0 389.271 1.237 10 0 GDAERN CN(C)c1ccc(Br)c(S(=O)(=O)N2CCCN(C)C(=O)C2)c1 ZINC000188213707 530888580 /nfs/dbraw/zinc/88/85/80/530888580.db2.gz AVDFVENHCXXVCS-UHFFFAOYSA-N 0 0 390.303 1.368 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c(=O)c1Br ZINC000119740349 530930571 /nfs/dbraw/zinc/93/05/71/530930571.db2.gz KBBFBBWCXGDOHH-UHFFFAOYSA-N 0 0 379.214 1.150 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)C(C)C ZINC000190651562 530934793 /nfs/dbraw/zinc/93/47/93/530934793.db2.gz KRXNAYZLCMNOLL-CYBMUJFWSA-N 0 0 384.274 1.891 10 0 GDAERN COCCN1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C ZINC000117285296 530912019 /nfs/dbraw/zinc/91/20/19/530912019.db2.gz JUPGJNPOMIORJO-SNVBAGLBSA-N 0 0 377.226 1.412 10 0 GDAERN Cc1cnn(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000117815369 530914144 /nfs/dbraw/zinc/91/41/44/530914144.db2.gz NRFNLTHGNFEUHX-UHFFFAOYSA-N 0 0 382.511 1.396 10 0 GDAERN Cc1cnn(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 ZINC000117810702 530914270 /nfs/dbraw/zinc/91/42/70/530914270.db2.gz HIJQJJOVSKZWMH-AWEZNQCLSA-N 0 0 382.511 1.531 10 0 GDAERN CCn1c(SCC(=O)N2CCCN(C)C(=O)C2)nnc1-c1cccs1 ZINC000189790019 530920619 /nfs/dbraw/zinc/92/06/19/530920619.db2.gz ZDDMRINFEGNMLV-UHFFFAOYSA-N 0 0 379.511 1.809 10 0 GDAERN Cc1cc(N2CCN(C(=O)c3cc(Br)cnc3N(C)C)CC2)n[nH]1 ZINC000189784539 530920697 /nfs/dbraw/zinc/92/06/97/530920697.db2.gz RZNKQQSHEQMTEB-UHFFFAOYSA-N 0 0 393.289 1.904 10 0 GDAERN O=c1[nH]c2ccc(S(=O)(=O)NC3CCN(c4cccs4)CC3)cc2[nH]1 ZINC000119334128 530924740 /nfs/dbraw/zinc/92/47/40/530924740.db2.gz CSKDHJHSMSISAQ-UHFFFAOYSA-N 0 0 378.479 1.865 10 0 GDAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000190089014 530925518 /nfs/dbraw/zinc/92/55/18/530925518.db2.gz ONLDOHATFOINCJ-DGCLKSJQSA-N 0 0 380.388 1.860 10 0 GDAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000190738921 530935994 /nfs/dbraw/zinc/93/59/94/530935994.db2.gz WSDNZRCBRAVGDM-MRXNPFEDSA-N 0 0 383.242 1.733 10 0 GDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Br)c1 ZINC000192208537 530964754 /nfs/dbraw/zinc/96/47/54/530964754.db2.gz BDWRGJIBKYZVDT-QMMMGPOBSA-N 0 0 391.678 1.987 10 0 GDAERN Cn1cc(S(=O)(=O)NCCN2CC[C@@H](Oc3cccc(Cl)c3)C2)cn1 ZINC000120417646 530940324 /nfs/dbraw/zinc/94/03/24/530940324.db2.gz VGQKCQAKXAWVIR-OAHLLOKOSA-N 0 0 384.889 1.505 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000191041425 530942830 /nfs/dbraw/zinc/94/28/30/530942830.db2.gz GDMQDLBCAJFRFF-UHFFFAOYSA-N 0 0 388.649 1.732 10 0 GDAERN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)C1 ZINC000191056218 530943338 /nfs/dbraw/zinc/94/33/38/530943338.db2.gz MHPGZQZYMJXZNX-YPMHNXCESA-N 0 0 387.329 1.469 10 0 GDAERN O=S(=O)(c1ccc(F)c(F)c1F)N1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000120601048 530943578 /nfs/dbraw/zinc/94/35/78/530943578.db2.gz LEKVIXSXMYQHTK-QWHCGFSZSA-N 0 0 378.416 1.714 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000191494584 530949799 /nfs/dbraw/zinc/94/97/99/530949799.db2.gz UKLCBVUSEFCNMX-HNNXBMFYSA-N 0 0 384.263 1.945 10 0 GDAERN COC(=O)CN(Cc1cccc(Br)c1)C[C@H](O)CN1CCCC1=O ZINC000191614821 530951751 /nfs/dbraw/zinc/95/17/51/530951751.db2.gz GGBRMGCNDUGINN-HNNXBMFYSA-N 0 0 399.285 1.407 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000121275548 530953708 /nfs/dbraw/zinc/95/37/08/530953708.db2.gz WKNIMMYBTJFPEC-CYBMUJFWSA-N 0 0 382.258 1.823 10 0 GDAERN Cc1c(I)cccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000121307623 530953975 /nfs/dbraw/zinc/95/39/75/530953975.db2.gz KWRIXGXGUQLTBB-SNVBAGLBSA-N 0 0 382.205 1.936 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000121463379 530957127 /nfs/dbraw/zinc/95/71/27/530957127.db2.gz KZCHRIUBDJTYPF-MRXNPFEDSA-N 0 0 383.495 1.740 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@@H]1CCCO1 ZINC000192957265 530977075 /nfs/dbraw/zinc/97/70/75/530977075.db2.gz WUDAONXQFAVNLM-WPRPVWTQSA-N 0 0 389.193 1.308 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(Br)s1 ZINC000123627583 530985813 /nfs/dbraw/zinc/98/58/13/530985813.db2.gz JMQICAXETJCARZ-JTQLQIEISA-N 0 0 381.317 1.652 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1OC(F)(F)F ZINC000123675012 530985987 /nfs/dbraw/zinc/98/59/87/530985987.db2.gz RWQCAVMYDMKXJH-GFCCVEGCSA-N 0 0 380.388 1.727 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000193572474 530989692 /nfs/dbraw/zinc/98/96/92/530989692.db2.gz WXJRHAVMXZZEAB-DDHOLCJHSA-N 0 0 387.249 1.617 10 0 GDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCc1cccs1 ZINC000126176961 531015533 /nfs/dbraw/zinc/01/55/33/531015533.db2.gz AMMDODMWHMLMBV-GFCCVEGCSA-N 0 0 377.491 1.876 10 0 GDAERN CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127156498 531026178 /nfs/dbraw/zinc/02/61/78/531026178.db2.gz UTCXFQSRTWNIJT-ZDUSSCGKSA-N 0 0 383.290 1.503 10 0 GDAERN O=C(c1cc(Cl)ccc1I)N1CCO[C@@H](CO)C1 ZINC000225907169 531031663 /nfs/dbraw/zinc/03/16/63/531031663.db2.gz 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ZINC000245535895 531057952 /nfs/dbraw/zinc/05/79/52/531057952.db2.gz KXKWBKLJUKZRAT-OLZOCXBDSA-N 0 0 397.324 1.747 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000245783258 531060701 /nfs/dbraw/zinc/06/07/01/531060701.db2.gz HUAUXDDAWRDSMG-OWYVNGRQSA-N 0 0 388.848 1.814 10 0 GDAERN Cn1nccc1C1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000131911649 531076077 /nfs/dbraw/zinc/07/60/77/531076077.db2.gz XRUWURDTCBIRIA-UHFFFAOYSA-N 0 0 395.257 1.912 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1Br ZINC000248646468 531080887 /nfs/dbraw/zinc/08/08/87/531080887.db2.gz HMROLATUURGFEV-STQMWFEESA-N 0 0 391.331 1.833 10 0 GDAERN Cc1c(Cl)cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1Cl ZINC000132589404 531082219 /nfs/dbraw/zinc/08/22/19/531082219.db2.gz HADKKEABHOKBNN-SNVBAGLBSA-N 0 0 381.281 1.516 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Cl)cc1Br ZINC000132776864 531084454 /nfs/dbraw/zinc/08/44/54/531084454.db2.gz RJHYLIJFIWOAPR-NSHDSACASA-N 0 0 377.666 1.525 10 0 GDAERN C[C@H](CO)N(C[C@H](C)O)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000249106598 531084774 /nfs/dbraw/zinc/08/47/74/531084774.db2.gz QPBXAYYANGLVCB-AGIUHOORSA-N 0 0 399.285 1.392 10 0 GDAERN C[C@H](O)CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H](C)CO ZINC000249106601 531085010 /nfs/dbraw/zinc/08/50/10/531085010.db2.gz QPBXAYYANGLVCB-AVGNSLFASA-N 0 0 399.285 1.392 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249517046 531087934 /nfs/dbraw/zinc/08/79/34/531087934.db2.gz RUCLNJRMRBHLCX-HRCADAONSA-N 0 0 386.539 1.487 10 0 GDAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000252692522 531091336 /nfs/dbraw/zinc/09/13/36/531091336.db2.gz CVOQZTSFQMODFV-NEPJUHHUSA-N 0 0 382.404 1.661 10 0 GDAERN O=S(=O)(c1c(F)cccc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134705768 531103168 /nfs/dbraw/zinc/10/31/68/531103168.db2.gz BBIYWXHPSGAIBA-NSHDSACASA-N 0 0 380.438 1.153 10 0 GDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)NCCOc1cccc(Cl)c1 ZINC000131377523 531070826 /nfs/dbraw/zinc/07/08/26/531070826.db2.gz HKJGOUGAIAYJSL-VWLOTQADSA-N 0 0 385.877 1.351 10 0 GDAERN O=C(Nc1cccnc1-n1cncn1)c1ccncc1I ZINC000134865160 531105339 /nfs/dbraw/zinc/10/53/39/531105339.db2.gz OZSCUZDKZZEWPM-UHFFFAOYSA-N 0 0 392.160 1.914 10 0 GDAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135727259 531111676 /nfs/dbraw/zinc/11/16/76/531111676.db2.gz UGYWMLLCVZQDLE-OLZOCXBDSA-N 0 0 386.905 1.562 10 0 GDAERN O=C(c1sccc1Br)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136436178 531114648 /nfs/dbraw/zinc/11/46/48/531114648.db2.gz JRVWKNBDHBCIOB-UHFFFAOYSA-N 0 0 393.270 1.911 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000151623288 531140726 /nfs/dbraw/zinc/14/07/26/531140726.db2.gz UVLUSPVEEOXOAT-YPMHNXCESA-N 0 0 383.499 1.297 10 0 GDAERN COc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1I ZINC000151131522 531133419 /nfs/dbraw/zinc/13/34/19/531133419.db2.gz SRVOWMSDCWXTIK-LLVKDONJSA-N 0 0 390.221 1.360 10 0 GDAERN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154131689 531178164 /nfs/dbraw/zinc/17/81/64/531178164.db2.gz JFAPPCSVHRIAQP-ZDUSSCGKSA-N 0 0 397.269 1.927 10 0 GDAERN O=S(=O)(N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000155271173 531198558 /nfs/dbraw/zinc/19/85/58/531198558.db2.gz HPEALQQJKYHNRN-ZIAGYGMSSA-N 0 0 380.388 1.390 10 0 GDAERN COCCN1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1C ZINC000156138784 531204054 /nfs/dbraw/zinc/20/40/54/531204054.db2.gz LIOLDIDKRYYGBW-LLVKDONJSA-N 0 0 387.278 1.332 10 0 GDAERN Cc1csc(C2CCN([C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000156714809 531205382 /nfs/dbraw/zinc/20/53/82/531205382.db2.gz JAYZGIYYCJKELA-ZFWWWQNUSA-N 0 0 385.555 1.665 10 0 GDAERN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cccnc1Br ZINC000158232117 531207884 /nfs/dbraw/zinc/20/78/84/531207884.db2.gz XKJCKGBOZJPZFX-NSHDSACASA-N 0 0 375.226 1.884 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000408032232 531212800 /nfs/dbraw/zinc/21/28/00/531212800.db2.gz TZGDWDUTHATFQO-KRWDZBQOSA-N 0 0 386.901 1.786 10 0 GDAERN O=C(c1coc(Br)c1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408050026 531214297 /nfs/dbraw/zinc/21/42/97/531214297.db2.gz BWCIFLDYZBTODL-MNOVXSKESA-N 0 0 375.194 1.454 10 0 GDAERN COc1nc(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)ncc1Br ZINC000408034562 531213343 /nfs/dbraw/zinc/21/33/43/531213343.db2.gz GBPDKLVPSDMYHM-HNNXBMFYSA-N 0 0 385.262 1.201 10 0 GDAERN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000408113789 531219380 /nfs/dbraw/zinc/21/93/80/531219380.db2.gz UTGPSFSKJOZPGS-SDDRHHMPSA-N 0 0 384.420 1.117 10 0 GDAERN CN(C)S(=O)(=O)c1ccc(N2CCCCC(C)(C)C2)c(S(N)(=O)=O)c1 ZINC000408108724 531218943 /nfs/dbraw/zinc/21/89/43/531218943.db2.gz UMLXVUIQWHXGOB-UHFFFAOYSA-N 0 0 389.543 1.601 10 0 GDAERN C[C@H]1CN(C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000408111349 531219589 /nfs/dbraw/zinc/21/95/89/531219589.db2.gz AIJFLKUSECLKEP-NSHDSACASA-N 0 0 382.258 1.337 10 0 GDAERN C[C@@H]1CN(C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000408111348 531219635 /nfs/dbraw/zinc/21/96/35/531219635.db2.gz AIJFLKUSECLKEP-LLVKDONJSA-N 0 0 382.258 1.337 10 0 GDAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000408234108 531227703 /nfs/dbraw/zinc/22/77/03/531227703.db2.gz BLWOWEMAYXABDO-MNOVXSKESA-N 0 0 376.862 1.555 10 0 GDAERN CCC(CC)C(=O)N1CCC(NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408238785 531228538 /nfs/dbraw/zinc/22/85/38/531228538.db2.gz UALSELTUDNCMJG-KGLIPLIRSA-N 0 0 375.535 1.357 10 0 GDAERN Cc1c(Br)cccc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000408432835 531240060 /nfs/dbraw/zinc/24/00/60/531240060.db2.gz IRZHKCHWLHLHPM-NEPJUHHUSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCCNC(=O)[C@H]1C ZINC000408288181 531230656 /nfs/dbraw/zinc/23/06/56/531230656.db2.gz WDTVJFBSAFPUMI-LLVKDONJSA-N 0 0 375.288 1.965 10 0 GDAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408309814 531231848 /nfs/dbraw/zinc/23/18/48/531231848.db2.gz ZEORIAOJRPWGEU-OCCSQVGLSA-N 0 0 386.436 1.497 10 0 GDAERN O=S(=O)(CC(F)(F)F)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000408321327 531232598 /nfs/dbraw/zinc/23/25/98/531232598.db2.gz QQFVCJNAWDFMII-LLVKDONJSA-N 0 0 378.438 1.205 10 0 GDAERN COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1Cl ZINC000408398221 531238377 /nfs/dbraw/zinc/23/83/77/531238377.db2.gz XQBQJDVBXHLUHG-UKRRQHHQSA-N 0 0 388.917 1.998 10 0 GDAERN O=C(Nc1ccc(Cl)cc1I)N1C[C@@H](O)[C@H](O)C1 ZINC000408397123 531238404 /nfs/dbraw/zinc/23/84/04/531238404.db2.gz SRJNLVVEDFLJCP-NXEZZACHSA-N 0 0 382.585 1.514 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1Br ZINC000284815600 531994995 /nfs/dbraw/zinc/99/49/95/531994995.db2.gz UINQYIPELSAIJP-SKDRFNHKSA-N 0 0 377.260 1.021 10 0 GDAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C[C@H]21 ZINC000284813790 531995379 /nfs/dbraw/zinc/99/53/79/531995379.db2.gz ZZVSERNQYURNKO-ZIAGYGMSSA-N 0 0 380.388 1.679 10 0 GDAERN Cc1noc([C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCN2C)n1 ZINC000284935900 532008648 /nfs/dbraw/zinc/00/86/48/532008648.db2.gz JFWFTCJOKCGCEK-SNVBAGLBSA-N 0 0 376.360 1.473 10 0 GDAERN Cn1ncc(NCc2ccnc(O[C@H]3CCOC3)c2)c(Br)c1=O ZINC000301896168 532041597 /nfs/dbraw/zinc/04/15/97/532041597.db2.gz QHQRMDHZWOREGI-NSHDSACASA-N 0 0 381.230 1.718 10 0 GDAERN Cc1cccc(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1I ZINC000285615856 532098953 /nfs/dbraw/zinc/09/89/53/532098953.db2.gz VFLIUQCAXCUTJD-SKDRFNHKSA-N 0 0 388.205 1.314 10 0 GDAERN O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000330295297 532119364 /nfs/dbraw/zinc/11/93/64/532119364.db2.gz JEMYZUHYEPEGGN-RYUDHWBXSA-N 0 0 381.420 1.953 10 0 GDAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000332794856 532210213 /nfs/dbraw/zinc/21/02/13/532210213.db2.gz FRVUTNRLBJLDLV-YPMHNXCESA-N 0 0 379.448 1.688 10 0 GDAERN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000332889530 532212463 /nfs/dbraw/zinc/21/24/63/532212463.db2.gz QQXVHHKVHHAUQA-SWLSCSKDSA-N 0 0 386.901 1.788 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000333388483 532231752 /nfs/dbraw/zinc/23/17/52/532231752.db2.gz CCNDZBFZAVPFDO-IACUBPJLSA-N 0 0 387.527 1.845 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000333544760 532240326 /nfs/dbraw/zinc/24/03/26/532240326.db2.gz OUDQNZZBIRVDFB-SECBINFHSA-N 0 0 378.226 1.641 10 0 GDAERN O=C(N[C@H]1CCN2C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H]2C1)c1ccco1 ZINC000003841135 291111843 /nfs/dbraw/zinc/11/18/43/291111843.db2.gz UHSVXQLYUXPOAH-JYJNAYRXSA-N 0 0 385.395 1.249 10 0 biogenic GDAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(I)c(O)c2)C1 ZINC000382044032 532294735 /nfs/dbraw/zinc/29/47/35/532294735.db2.gz VCGJVMZGSNCDLV-VHSXEESVSA-N 0 0 377.178 1.219 10 0 GDAERN COc1cc(-c2nc3s/c(=C/c4ccco4)c(=O)n3n2)cc(OC)c1OC ZINC000005795195 209616690 /nfs/dbraw/zinc/61/66/90/209616690.db2.gz IPQQVOCPQPPOQV-NTEUORMPSA-N 0 0 385.401 1.985 10 0 GDAERN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000002630896 209373154 /nfs/dbraw/zinc/37/31/54/209373154.db2.gz OWTGCAQKHGQDFN-GOSISDBHSA-N 0 0 399.403 1.563 10 0 GDAERN OC[C@@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@H]1O ZINC000256000551 209222866 /nfs/dbraw/zinc/22/28/66/209222866.db2.gz RYLVNYDICPAOQR-WTFGDDLMSA-N 0 0 378.606 1.402 10 0 GDAERN CC(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000253488940 209220385 /nfs/dbraw/zinc/22/03/85/209220385.db2.gz CIMPUIMAKYLKBF-QXCZDIPSSA-N 0 0 394.420 1.943 10 0 GDAERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2noc3c2CCCC3)cn1 ZINC000328628709 209148269 /nfs/dbraw/zinc/14/82/69/209148269.db2.gz NYRISZWSZBENIN-CQSZACIVSA-N 0 0 378.454 1.382 10 0 GDAERN CCCc1cc(C(=O)N[C@H]2C[C@@H](C(=O)NCC)N(C3CCOCC3)C2)no1 ZINC000097831100 211373982 /nfs/dbraw/zinc/37/39/82/211373982.db2.gz KBXJQMIKJIYNCV-GUYCJALGSA-N 0 0 378.473 1.115 10 0 GDAERN CN(C)S(=O)(=O)n1cc(I)c(-c2ccccn2)n1 ZINC000091302053 211189617 /nfs/dbraw/zinc/18/96/17/211189617.db2.gz IQBUHPFAZWPLLU-UHFFFAOYSA-N 0 0 378.195 1.204 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000129387520 211180355 /nfs/dbraw/zinc/18/03/55/211180355.db2.gz SUEWVPVAUBMJDY-OAHLLOKOSA-N 0 0 391.497 1.620 10 0 GDAERN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(C)CC1 ZINC000021526294 210383863 /nfs/dbraw/zinc/38/38/63/210383863.db2.gz YEDMAEBGYBDNSA-UHFFFAOYSA-N 0 0 388.493 1.164 10 0 GDAERN Cc1noc(C)c1CCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1 ZINC000021026082 210374991 /nfs/dbraw/zinc/37/49/91/210374991.db2.gz AVDBIAPZVAXBHK-UHFFFAOYSA-N 0 0 378.458 1.065 10 0 GDAERN CCOC(=O)C1=C(C)OC(=O)[C@]12c1ccccc1NC(N)=C2C(=O)OC(C)C ZINC000020609488 210351938 /nfs/dbraw/zinc/35/19/38/210351938.db2.gz NHPMHDCMUQMQJA-HXUWFJFHSA-N 0 0 386.404 1.866 10 0 GDAERN Cn1c2ccc(S(=O)(=O)CC(=O)N3CCCc4ccccc43)cc2n(C)c1=O ZINC000045969968 132424868 /nfs/dbraw/zinc/42/48/68/132424868.db2.gz LZNSYRGZYVQNKQ-UHFFFAOYSA-N 0 0 399.472 1.630 10 0 GDAERN CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(C(C)=O)CC3)C2)ncn1 ZINC000065245075 535521236 /nfs/dbraw/zinc/52/12/36/535521236.db2.gz SLTLMNDGNCLUCN-KRWDZBQOSA-N 0 0 388.516 1.596 10 0 GDAERN C[C@@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@H](O)[C@H](O)[C@H]1O ZINC000034654216 560087134 /nfs/dbraw/zinc/08/71/34/560087134.db2.gz HUSBLOAZNQURFJ-YOYCCLINSA-N 0 0 386.529 1.967 10 0 biogenic,in-vitro GDAERN CC(=O)N1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@H]2C1 ZINC000004236081 560197668 /nfs/dbraw/zinc/19/76/68/560197668.db2.gz DJSCPSCZLJBMIY-QGZVFWFLSA-N 0 0 393.399 1.707 10 0 biogenic GDAERN CCOC(=O)c1n[nH]cc1CN1CCC(CCC(=O)NC[C@@H]2CCCO2)CC1 ZINC000012314813 570304383 /nfs/dbraw/zinc/30/43/83/570304383.db2.gz VBICLTVRQHEHEE-KRWDZBQOSA-N 0 0 392.500 1.874 10 0 GDAERN Cn1cnnc1SCC(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000219851955 570376446 /nfs/dbraw/zinc/37/64/46/570376446.db2.gz JKPWGHZRJXUWLL-QGZVFWFLSA-N 0 0 384.465 1.228 10 0 GDAERN Cn1cc(C(N)=O)c([C@H]2CCCN(S(=O)(=O)c3cc4ccccc4o3)C2)n1 ZINC000583621505 570801765 /nfs/dbraw/zinc/80/17/65/570801765.db2.gz UYUXIYJKADFVRF-ZDUSSCGKSA-N 0 0 388.449 1.834 10 0 GDAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1cccc(I)c1 ZINC000124915861 644710597 /nfs/dbraw/zinc/71/05/97/644710597.db2.gz VKVWLHBKNNHACQ-LLVKDONJSA-N 0 0 394.234 1.006 10 0 GDAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NC[C@H]2CSCCS2)CC1 ZINC000132208202 644749033 /nfs/dbraw/zinc/74/90/33/644749033.db2.gz HDMQIRJYWCXVAS-HNNXBMFYSA-N 0 0 383.587 1.713 10 0 GDAERN Cc1[nH]c(=S)sc1CC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136436699 644768637 /nfs/dbraw/zinc/76/86/37/644768637.db2.gz OWNXVKMKUYVFSL-UHFFFAOYSA-N 0 0 375.483 1.443 10 0 GDAERN CCOc1ccnc(N2CCN(Cn3nc(N(C)C)sc3=S)CC2)n1 ZINC000152680542 644789372 /nfs/dbraw/zinc/78/93/72/644789372.db2.gz FRKILCNBGLRYRF-UHFFFAOYSA-N 0 0 381.531 1.708 10 0 GDAERN S=c1sc(N2CCOCC2)nn1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152801512 644790869 /nfs/dbraw/zinc/79/08/69/644790869.db2.gz PWELMTQDBZNFIG-ZDUSSCGKSA-N 0 0 382.515 1.066 10 0 GDAERN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CC[C@H](N2CCOCC2)C1 ZINC000172961175 644886226 /nfs/dbraw/zinc/88/62/26/644886226.db2.gz VUXBVVCMXKIVQM-NSHDSACASA-N 0 0 384.263 1.953 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1ccnc(Cl)c1I)C(C)C ZINC000179758309 644936767 /nfs/dbraw/zinc/93/67/67/644936767.db2.gz UHOJGXRKJKFNHA-SECBINFHSA-N 0 0 395.628 1.840 10 0 GDAERN COCC(=O)NC1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000187716265 645000873 /nfs/dbraw/zinc/00/08/73/645000873.db2.gz DTCLDVKHTOBHJM-AATRIKPKSA-N 0 0 389.271 1.196 10 0 GDAERN CCn1cc([C@H]2CN(Cn3nc(NCCOC)sc3=S)CCO2)cn1 ZINC000189845212 645016996 /nfs/dbraw/zinc/01/69/96/645016996.db2.gz YTSBCHYRZYWYIN-CYBMUJFWSA-N 0 0 384.531 1.980 10 0 GDAERN O=S(=O)(CC1CCS(=O)(=O)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000328830818 645280572 /nfs/dbraw/zinc/28/05/72/645280572.db2.gz URWHXEFBEUWYEQ-NWDGAFQWSA-N 0 0 377.450 1.852 10 0 GDAERN O=S1(=O)CC[C@H]2CN(C[C@H](O)COc3ccccc3C(F)(F)F)C[C@H]21 ZINC000329169097 645300674 /nfs/dbraw/zinc/30/06/74/645300674.db2.gz JHZOCGXKONCBML-SLEUVZQESA-N 0 0 379.400 1.564 10 0 GDAERN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000329449011 645313446 /nfs/dbraw/zinc/31/34/46/645313446.db2.gz CEULIMJMWNSXKI-GHMZBOCLSA-N 0 0 380.798 1.795 10 0 GDAERN COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1CCNC1=O ZINC000597853796 652461129 /nfs/dbraw/zinc/46/11/29/652461129.db2.gz ASXBKHCFRQMBEO-SECBINFHSA-N 0 0 394.596 1.572 10 0 GDAERN O=C(N[C@H]1CCOC[C@H]1O)c1cc(Cl)ccc1I ZINC000600587215 652546552 /nfs/dbraw/zinc/54/65/52/652546552.db2.gz RMDGLIXNQFDKMI-WDEREUQCSA-N 0 0 381.597 1.824 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1cn(C)nn1 ZINC000720545997 654837907 /nfs/dbraw/zinc/83/79/07/654837907.db2.gz CUMBBZJZAABCEG-ZCFIWIBFSA-N 0 0 380.655 1.666 10 0 GDAERN COC(=O)c1cc(Br)c(N2CCO[C@@H](Cn3cncn3)C2)nc1C ZINC000892380456 658322897 /nfs/dbraw/zinc/32/28/97/658322897.db2.gz YHVWYZJLWCZVLY-LLVKDONJSA-N 0 0 396.245 1.436 10 0 GDAERN Cc1noc([C@@H]2CCN(C(=O)c3c(C)[nH]nc3I)C2)n1 ZINC000897716485 658882812 /nfs/dbraw/zinc/88/28/12/658882812.db2.gz DMZFFQGGVBEEHQ-MRVPVSSYSA-N 0 0 387.181 1.644 10 0 GDAERN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000716172197 977811049 /nfs/dbraw/zinc/81/10/49/977811049.db2.gz FHENZMJTBAZLOH-GUYCJALGSA-N 0 0 377.466 1.902 10 0 GDAERN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCc2cnn(C)c2)cc1 ZINC000015061868 210146579 /nfs/dbraw/zinc/14/65/79/210146579.db2.gz CJOORXVAHPIUSZ-LJQANCHMSA-N 0 0 383.496 1.120 10 0 GDAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000163479850 530575609 /nfs/dbraw/zinc/57/56/09/530575609.db2.gz YIIYCDARJXZLPQ-SECBINFHSA-N 0 0 398.648 1.764 10 0 GDAERN CSc1ncc(Cl)c(C(=O)N2CCCN(Cc3noc(C)n3)CC2)n1 ZINC000171863441 530604655 /nfs/dbraw/zinc/60/46/55/530604655.db2.gz KBAAGHCGFGNIOP-UHFFFAOYSA-N 0 0 382.877 1.891 10 0 GDAERN C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CCCO1 ZINC000032247305 530605229 /nfs/dbraw/zinc/60/52/29/530605229.db2.gz XHSMKXYZDPRETC-GWCFXTLKSA-N 0 0 383.242 1.858 10 0 GDAERN C[C@@H](NC(=O)C(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000041917023 530625345 /nfs/dbraw/zinc/62/53/45/530625345.db2.gz PGPKOHYBARXBHJ-SKDRFNHKSA-N 0 0 388.205 1.913 10 0 GDAERN Cc1nc(C[C@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)no1 ZINC000173517325 530631143 /nfs/dbraw/zinc/63/11/43/530631143.db2.gz LKCXTYMFBGSBFE-SNVBAGLBSA-N 0 0 381.230 1.924 10 0 GDAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000172746151 530618002 /nfs/dbraw/zinc/61/80/02/530618002.db2.gz ICIZTMGAGUEEPS-SNVBAGLBSA-N 0 0 380.438 1.291 10 0 GDAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Br)cc1F ZINC000172806864 530618457 /nfs/dbraw/zinc/61/84/57/530618457.db2.gz IRLDHUYYMDOSSZ-CYBMUJFWSA-N 0 0 386.265 1.933 10 0 GDAERN NS(=O)(=O)CCN1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000174934344 530656260 /nfs/dbraw/zinc/65/62/60/530656260.db2.gz QTQPHNZALBCXGA-UHFFFAOYSA-N 0 0 384.889 1.401 10 0 GDAERN Cc1nc(S(=O)(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cn1C ZINC000175215092 530660715 /nfs/dbraw/zinc/66/07/15/530660715.db2.gz XFVUOLJQZVBJQT-CQSZACIVSA-N 0 0 384.527 1.484 10 0 GDAERN COc1cc([C@H](O)[C@@H](CO)Oc2ccc(/C=C/CO)cc2OC)ccc1O ZINC000014438165 210118266 /nfs/dbraw/zinc/11/82/66/210118266.db2.gz FYEZJIXULOZDRT-WGLWSTOQSA-N 0 0 376.405 1.888 10 0 biogenic,in-vitro GDAERN COc1cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)ccc1Br ZINC000175250608 530662180 /nfs/dbraw/zinc/66/21/80/530662180.db2.gz GHBDRVHKLAPOMS-SNVBAGLBSA-N 0 0 379.276 1.067 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000175891573 530672609 /nfs/dbraw/zinc/67/26/09/530672609.db2.gz TZKNJMSDYYBIOD-NSHDSACASA-N 0 0 378.479 1.937 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176078550 530676333 /nfs/dbraw/zinc/67/63/33/530676333.db2.gz UTRILXRDBPDHIS-JTQLQIEISA-N 0 0 386.221 1.654 10 0 GDAERN O=C(Nc1ccc(Br)cc1F)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176105473 530677140 /nfs/dbraw/zinc/67/71/40/530677140.db2.gz QCAMDHMZVGLTLP-NSHDSACASA-N 0 0 382.193 1.770 10 0 GDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000176556378 530685750 /nfs/dbraw/zinc/68/57/50/530685750.db2.gz SQRZSCQXGLGGJR-OCCSQVGLSA-N 0 0 391.295 1.912 10 0 GDAERN CC(C)CS(=O)(=O)CC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000176601226 530686920 /nfs/dbraw/zinc/68/69/20/530686920.db2.gz JTMPEJHQQBCJDI-CABCVRRESA-N 0 0 388.555 1.697 10 0 GDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(Br)cnc1Cl ZINC000176747111 530689833 /nfs/dbraw/zinc/68/98/33/530689833.db2.gz SUUQCZIYKATIOG-MRVPVSSYSA-N 0 0 392.666 1.902 10 0 GDAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1Cl ZINC000176747409 530690300 /nfs/dbraw/zinc/69/03/00/530690300.db2.gz TVATUYXPBWCSRR-NSHDSACASA-N 0 0 387.824 1.842 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000177606212 530706073 /nfs/dbraw/zinc/70/60/73/530706073.db2.gz FUOCHCFZPMGJAR-VXGBXAGGSA-N 0 0 384.274 1.301 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626414 530707005 /nfs/dbraw/zinc/70/70/05/530707005.db2.gz UETJPNAPTGDZLT-SECBINFHSA-N 0 0 382.193 1.249 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CCN1C[C@@H](C)O ZINC000177617013 530707170 /nfs/dbraw/zinc/70/71/70/530707170.db2.gz CJSINVAPRUOTSV-OLZOCXBDSA-N 0 0 398.301 1.691 10 0 GDAERN C[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000055312756 530708186 /nfs/dbraw/zinc/70/81/86/530708186.db2.gz WKFJTBGLJDBLSV-UONOGXRCSA-N 0 0 386.901 1.988 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1Br ZINC000179851790 530751792 /nfs/dbraw/zinc/75/17/92/530751792.db2.gz CYOYIJVLWMSKAZ-LBPRGKRZSA-N 0 0 392.257 1.979 10 0 GDAERN CS(=O)(=O)NCCC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179954555 530753979 /nfs/dbraw/zinc/75/39/79/530753979.db2.gz BLIUNYBSNQEROO-CHWSQXEVSA-N 0 0 380.388 1.279 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cc(I)c[nH]2)cn1 ZINC000181373107 530782518 /nfs/dbraw/zinc/78/25/18/530782518.db2.gz NNRZNOQDFYVDFE-LBPRGKRZSA-N 0 0 385.209 1.140 10 0 GDAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000182350621 530798003 /nfs/dbraw/zinc/79/80/03/530798003.db2.gz BHBYSLPKZDMAOV-CYBMUJFWSA-N 0 0 385.452 1.287 10 0 GDAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182796037 530804810 /nfs/dbraw/zinc/80/48/10/530804810.db2.gz BHSWHESDEDIIED-CYBMUJFWSA-N 0 0 378.441 1.408 10 0 GDAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cscn2)C1 ZINC000102896634 530830841 /nfs/dbraw/zinc/83/08/41/530830841.db2.gz XHFSXTLXDNJZOM-LBPRGKRZSA-N 0 0 383.499 1.200 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(OC)c(Br)n1)CC2 ZINC000183142350 530809888 /nfs/dbraw/zinc/80/98/88/530809888.db2.gz DNTQPTIDJFQENP-SECBINFHSA-N 0 0 380.246 1.751 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000184309888 530826749 /nfs/dbraw/zinc/82/67/49/530826749.db2.gz HWPCDSBBHUPKQE-GFCCVEGCSA-N 0 0 379.766 1.744 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)CCS(=O)(=O)CC(C)C)CC2)cs1 ZINC000107252654 530852940 /nfs/dbraw/zinc/85/29/40/530852940.db2.gz PRDXTWZGFJNZGS-UHFFFAOYSA-N 0 0 387.571 1.947 10 0 GDAERN 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381.885 1.954 10 0 GDAERN COCCN(CCOC)S(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000192863735 530975241 /nfs/dbraw/zinc/97/52/41/530975241.db2.gz RAFLZTDOYKUGLN-GFCCVEGCSA-N 0 0 395.319 1.939 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1Br ZINC000123607249 530985350 /nfs/dbraw/zinc/98/53/50/530985350.db2.gz OYODLQONLLWDAW-GFCCVEGCSA-N 0 0 375.288 1.591 10 0 GDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000123108803 530979542 /nfs/dbraw/zinc/97/95/42/530979542.db2.gz WAUPEYNSDUJDIA-HOTGVXAUSA-N 0 0 388.555 1.952 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193284057 530983751 /nfs/dbraw/zinc/98/37/51/530983751.db2.gz RMRJVYQHUWZRFJ-CYBMUJFWSA-N 0 0 396.285 1.323 10 0 GDAERN Cn1cc(Br)cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)c1=O ZINC000124413573 530995453 /nfs/dbraw/zinc/99/54/53/530995453.db2.gz XEAHNFXRYYTKRH-LBPRGKRZSA-N 0 0 392.209 1.336 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000193464381 530987068 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CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000227271172 531032651 /nfs/dbraw/zinc/03/26/51/531032651.db2.gz PJHKWSLFXRNYJS-GDBMZVCRSA-N 0 0 386.901 1.912 10 0 GDAERN COC(=O)c1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(Br)o1 ZINC000246037291 531062189 /nfs/dbraw/zinc/06/21/89/531062189.db2.gz QZORWQKJULUMRX-VIFPVBQESA-N 0 0 393.259 1.297 10 0 GDAERN Cc1nc(SCC(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)n[nH]1 ZINC000246694779 531068928 /nfs/dbraw/zinc/06/89/28/531068928.db2.gz DWEAGUSNHWJSGX-AAEUAGOBSA-N 0 0 381.527 1.845 10 0 GDAERN C[S@](=O)Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)ccc1Cl ZINC000246276637 531065729 /nfs/dbraw/zinc/06/57/29/531065729.db2.gz BDAGGYDFPHEJCJ-RLNWEABKSA-N 0 0 386.901 1.824 10 0 GDAERN CCS(=O)(=O)N1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000128841971 531044870 /nfs/dbraw/zinc/04/48/70/531044870.db2.gz USHCPDRJPCMOLL-INIZCTEOSA-N 0 0 376.906 1.185 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CCN1C[C@H](C)O ZINC000245654487 531059725 /nfs/dbraw/zinc/05/97/25/531059725.db2.gz KWPHKFKLWYFLPS-SMDDNHRTSA-N 0 0 399.289 1.086 10 0 GDAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000247293106 531073596 /nfs/dbraw/zinc/07/35/96/531073596.db2.gz UGYWMLLCVZQDLE-QWHCGFSZSA-N 0 0 386.905 1.562 10 0 GDAERN CS(=O)(=O)CCOCCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000131661142 531074149 /nfs/dbraw/zinc/07/41/49/531074149.db2.gz PEUWNPVMEOCGSV-ZDUSSCGKSA-N 0 0 382.404 1.520 10 0 GDAERN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000247533124 531075405 /nfs/dbraw/zinc/07/54/05/531075405.db2.gz PIWYRFJIZCFOGO-SWLSCSKDSA-N 0 0 390.502 1.334 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000247638749 531076116 /nfs/dbraw/zinc/07/61/16/531076116.db2.gz UMVMMNBETIKGMQ-GDBMZVCRSA-N 0 0 386.539 1.503 10 0 GDAERN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC(O)CC1 ZINC000247959128 531077286 /nfs/dbraw/zinc/07/72/86/531077286.db2.gz PFIXGWYIBJVKNL-ZDUSSCGKSA-N 0 0 386.901 1.724 10 0 GDAERN C[C@@H]1CN([C@H](CNS(=O)(=O)CC2CCOCC2)c2cccs2)CCO1 ZINC000248372189 531077853 /nfs/dbraw/zinc/07/78/53/531077853.db2.gz ZPOHLNJCGFXCFU-GDBMZVCRSA-N 0 0 388.555 1.856 10 0 GDAERN Cn1cc([C@H]2CSCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000248833029 531082836 /nfs/dbraw/zinc/08/28/36/531082836.db2.gz ZHNJEPSZBUHCSP-IAGOWNOFSA-N 0 0 381.523 1.647 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151422336 531136933 /nfs/dbraw/zinc/13/69/33/531136933.db2.gz AKXMZTDHGJENPN-MEBBXXQBSA-N 0 0 380.246 1.654 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000151391060 531136975 /nfs/dbraw/zinc/13/69/75/531136975.db2.gz ZXLQOSKKKVTTRU-MRVPVSSYSA-N 0 0 396.175 1.630 10 0 GDAERN COc1ccc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)nc1Br ZINC000152782137 531157019 /nfs/dbraw/zinc/15/70/19/531157019.db2.gz LGRRNRLWKIOTAO-SNVBAGLBSA-N 0 0 383.202 1.758 10 0 GDAERN C[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)c1nnc2n1CCCC2 ZINC000153046908 531161797 /nfs/dbraw/zinc/16/17/97/531161797.db2.gz HPEIPFBZOWSMQN-SECBINFHSA-N 0 0 395.261 1.958 10 0 GDAERN Cc1cnn(C[C@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)CCO2)c1 ZINC000157209075 531206190 /nfs/dbraw/zinc/20/61/90/531206190.db2.gz VNONBGMJVHMNCH-CVEARBPZSA-N 0 0 393.285 1.881 10 0 GDAERN Cn1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 ZINC000157274895 531206384 /nfs/dbraw/zinc/20/63/84/531206384.db2.gz SFVOOVXOZZYLMC-GXTWGEPZSA-N 0 0 375.372 1.936 10 0 GDAERN O=C(c1ccc(Br)cn1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408049814 531214255 /nfs/dbraw/zinc/21/42/55/531214255.db2.gz AOTWZVQGHFJMSN-YPMHNXCESA-N 0 0 386.221 1.256 10 0 GDAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408032201 531213446 /nfs/dbraw/zinc/21/34/46/531213446.db2.gz STEBQQFMQVNJAS-KRWDZBQOSA-N 0 0 386.901 1.786 10 0 GDAERN O=C(NC1CCS(=O)CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000408088566 531217008 /nfs/dbraw/zinc/21/70/08/531217008.db2.gz KBHATQFLYQLOIZ-UHFFFAOYSA-N 0 0 376.525 1.174 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000264969252 531217092 /nfs/dbraw/zinc/21/70/92/531217092.db2.gz OYVATKUGUPOSCO-GFCCVEGCSA-N 0 0 385.287 1.951 10 0 GDAERN CC(C)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)s1 ZINC000408219580 531227005 /nfs/dbraw/zinc/22/70/05/531227005.db2.gz ONRPACNUCKFROE-UHFFFAOYSA-N 0 0 387.527 1.206 10 0 GDAERN CC1(CO)CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000408223824 531227763 /nfs/dbraw/zinc/22/77/63/531227763.db2.gz LWCLXTPUXWTDET-UHFFFAOYSA-N 0 0 388.511 1.004 10 0 GDAERN Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(Br)o3)CCO2)no1 ZINC000408213977 531226180 /nfs/dbraw/zinc/22/61/80/531226180.db2.gz FXBICQRTIKSDNI-MRVPVSSYSA-N 0 0 378.204 1.496 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1=O ZINC000408258943 531229731 /nfs/dbraw/zinc/22/97/31/531229731.db2.gz DIDDQWNQWAXYPU-OAHLLOKOSA-N 0 0 383.246 1.282 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000408337107 531233754 /nfs/dbraw/zinc/23/37/54/531233754.db2.gz SRWVJQACTJPPBK-RHSMWYFYSA-N 0 0 387.523 1.796 10 0 GDAERN O=S(=O)(NC[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000408353015 531234647 /nfs/dbraw/zinc/23/46/47/531234647.db2.gz XGODRHHPWKUIQK-CMPLNLGQSA-N 0 0 377.450 1.852 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CC[S@@](=O)CC[C@H]2C)c1 ZINC000408389171 531237079 /nfs/dbraw/zinc/23/70/79/531237079.db2.gz HYSFAVXJMLMKPL-IPQOISQHSA-N 0 0 393.552 1.239 10 0 GDAERN Cc1oc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1S(=O)(=O)N(C)C ZINC000408399490 531237939 /nfs/dbraw/zinc/23/79/39/531237939.db2.gz HXZVEMAWAKQRKW-ZDUSSCGKSA-N 0 0 384.376 1.368 10 0 GDAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000408409156 531239569 /nfs/dbraw/zinc/23/95/69/531239569.db2.gz UIKFEARKPXSAQY-CMPLNLGQSA-N 0 0 386.440 1.335 10 0 GDAERN Cn1ncc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1I ZINC000292983123 531392736 /nfs/dbraw/zinc/39/27/36/531392736.db2.gz FKJXPWPXZZMZPX-GHMZBOCLSA-N 0 0 375.210 1.808 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2Nc1ncnc2c1c(Br)nn2C ZINC000268366743 531499107 /nfs/dbraw/zinc/49/91/07/531499107.db2.gz FGTCKZKRYGHCTI-QMMMGPOBSA-N 0 0 393.249 1.811 10 0 GDAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000295873455 531632907 /nfs/dbraw/zinc/63/29/07/531632907.db2.gz FSWOMEZJEYVCLO-UHFFFAOYSA-N 0 0 394.678 1.501 10 0 GDAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000367159698 531815875 /nfs/dbraw/zinc/81/58/75/531815875.db2.gz ORKJAWWFYYUPGR-KFWWJZLASA-N 0 0 375.535 1.692 10 0 GDAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000270631903 531904144 /nfs/dbraw/zinc/90/41/44/531904144.db2.gz HUKPHCCFOJPOPC-JSGCOSHPSA-N 0 0 387.889 1.533 10 0 GDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284617367 531974025 /nfs/dbraw/zinc/97/40/25/531974025.db2.gz JSWXCMFWIOUFED-HOTGVXAUSA-N 0 0 391.896 1.561 10 0 GDAERN Cc1ccc(C(=O)N2CCN(c3cnn(C)c(=O)c3Br)CC2)o1 ZINC000301232400 532029506 /nfs/dbraw/zinc/02/95/06/532029506.db2.gz JPSSTUIACSLJTN-UHFFFAOYSA-N 0 0 381.230 1.407 10 0 GDAERN CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1c1ncc[nH]1 ZINC000328623403 532088551 /nfs/dbraw/zinc/08/85/51/532088551.db2.gz JBUONNNHJMINRD-LLVKDONJSA-N 0 0 375.376 1.501 10 0 GDAERN Brc1cc2c(cc1CN1CCO[C@H](Cn3cncn3)C1)OCO2 ZINC000328642687 532089330 /nfs/dbraw/zinc/08/93/30/532089330.db2.gz DZLCQXBQYRZWNC-LBPRGKRZSA-N 0 0 381.230 1.670 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2noc(C)n2)cc1 ZINC000329290827 532101080 /nfs/dbraw/zinc/10/10/80/532101080.db2.gz NGAUATMEASWCMW-AWEZNQCLSA-N 0 0 385.467 1.697 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000285737160 532108693 /nfs/dbraw/zinc/10/86/93/532108693.db2.gz YRPHTXJDKTZESV-QGZVFWFLSA-N 0 0 399.260 1.846 10 0 GDAERN O=C(C1CCC(NS(=O)(=O)C[C@@H]2CCOC2)CC1)N1CCSCC1 ZINC000329265999 532100380 /nfs/dbraw/zinc/10/03/80/532100380.db2.gz HGBOQOKLVAMWMP-WLYUNCDWSA-N 0 0 376.544 1.077 10 0 GDAERN Cc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1I ZINC000286434364 532150291 /nfs/dbraw/zinc/15/02/91/532150291.db2.gz SVJVMOCXIRPSRT-NEPJUHHUSA-N 0 0 399.232 1.838 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)CC[C@@H]21 ZINC000286331099 532143181 /nfs/dbraw/zinc/14/31/81/532143181.db2.gz OILXCLJESAKHRY-UPJWGTAASA-N 0 0 380.242 1.550 10 0 GDAERN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000332889532 532212396 /nfs/dbraw/zinc/21/23/96/532212396.db2.gz QQXVHHKVHHAUQA-WFASDCNBSA-N 0 0 386.901 1.788 10 0 GDAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1 ZINC000333060959 532217924 /nfs/dbraw/zinc/21/79/24/532217924.db2.gz IJFMRDZOMOGJCJ-OQUILHJVSA-N 0 0 384.523 1.651 10 0 GDAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333120881 532220339 /nfs/dbraw/zinc/22/03/39/532220339.db2.gz VAJQZODGYFYEDP-OEUWWYETSA-N 0 0 384.523 1.651 10 0 GDAERN O=C(c1sccc1S(=O)(=O)N1CCCC1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333227906 532226469 /nfs/dbraw/zinc/22/64/69/532226469.db2.gz BGXVQTMMXIMVAY-BFHYXJOUSA-N 0 0 384.523 1.766 10 0 GDAERN CN(C)c1cc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)ncc1Br ZINC000333661056 532244093 /nfs/dbraw/zinc/24/40/93/532244093.db2.gz MFTCCPQGFAEVFJ-OAHLLOKOSA-N 0 0 382.262 1.654 10 0 GDAERN Cc1nc(S(=O)(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)sc1Br ZINC000333922274 532257221 /nfs/dbraw/zinc/25/72/21/532257221.db2.gz REKYZQXZLKUORP-GUBZILKMSA-N 0 0 381.317 1.996 10 0 GDAERN CO[C@H]1C[C@@H](CO)N(CC(=O)Nc2cccc(I)c2)C1 ZINC000380483980 532295134 /nfs/dbraw/zinc/29/51/34/532295134.db2.gz UZZJJUZEAYOPIG-STQMWFEESA-N 0 0 390.221 1.311 10 0 GDAERN C[C@H]1CC[C@H](O)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000399202728 532302777 /nfs/dbraw/zinc/30/27/77/532302777.db2.gz AGVXIBLVYKBFCJ-ONGXEEELSA-N 0 0 381.235 1.825 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@@H]3OCCN[C@H]3C2)sc1Br ZINC000404110836 532306063 /nfs/dbraw/zinc/30/60/63/532306063.db2.gz JPRSWWOZBYXPOV-UWVGGRQHSA-N 0 0 381.317 1.570 10 0 GDAERN Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cn1 ZINC000001365660 209322838 /nfs/dbraw/zinc/32/28/38/209322838.db2.gz CJFVOIJFPBFKBL-CQSZACIVSA-N 0 0 376.438 1.495 10 0 GDAERN CCOC(=O)C1=C(C)N(C)C(=C2C(=O)N(CC)C(=S)N(CC)C2=O)S1 ZINC000005650370 209230633 /nfs/dbraw/zinc/23/06/33/209230633.db2.gz YTTIJYIEPFKITG-UHFFFAOYSA-N 0 0 383.495 1.667 10 0 GDAERN CCNC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000057428245 212060947 /nfs/dbraw/zinc/06/09/47/212060947.db2.gz IJMPTYUJRQULAP-UHFFFAOYSA-N 0 0 387.417 1.138 10 0 GDAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)c2cccn2C2CCCC2)cn1 ZINC000328630843 209151139 /nfs/dbraw/zinc/15/11/39/209151139.db2.gz QHEMWZZSTGXYEW-QGZVFWFLSA-N 0 0 376.482 1.949 10 0 GDAERN O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000328608852 209146005 /nfs/dbraw/zinc/14/60/05/209146005.db2.gz BLNWXWRCGBGPCC-ZFWWWQNUSA-N 0 0 381.475 1.916 10 0 GDAERN Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000101322903 211398171 /nfs/dbraw/zinc/39/81/71/211398171.db2.gz AAIPSLSZVWWZNX-XFXZXTDPSA-N 0 0 396.494 1.054 10 0 GDAERN CCOC(=O)C=C1Nc2ccc(NS(C)(=O)=O)cc2[P@@](=O)(OCC)N1 ZINC000100773289 211390839 /nfs/dbraw/zinc/39/08/39/211390839.db2.gz IASUCWRLDHAKNH-XMMPIXPASA-N 0 0 389.370 1.690 10 0 GDAERN CN(CCc1ccccn1)C(=O)[C@H]1CN(S(C)(=O)=O)CC12CCCCC2 ZINC000096309597 211333894 /nfs/dbraw/zinc/33/38/94/211333894.db2.gz JJEXTXMGNIVHKK-QGZVFWFLSA-N 0 0 379.526 1.924 10 0 GDAERN O=C(c1ccccc1)N1CCS(=O)(=O)[C@@H]2CCN(c3ncccn3)CC[C@@H]21 ZINC000096083109 211300189 /nfs/dbraw/zinc/30/01/89/211300189.db2.gz HMVPJGPBMBAGBB-DLBZAZTESA-N 0 0 386.477 1.385 10 0 GDAERN NC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000095348921 211220592 /nfs/dbraw/zinc/22/05/92/211220592.db2.gz BSVYIZLBVWKKKM-CHWSQXEVSA-N 0 0 397.273 1.415 10 0 GDAERN O=C(CCc1c[nH]cn1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000067880917 211027546 /nfs/dbraw/zinc/02/75/46/211027546.db2.gz MHRQWYLHAGLBGP-UHFFFAOYSA-N 0 0 380.452 1.682 10 0 GDAERN Cc1nc[nH]c1[C@H]1NC(=O)NC(C)=C1C(=O)N1CCc2[nH]nc(C(C)C)c2C1 ZINC000067447259 211010041 /nfs/dbraw/zinc/01/00/41/211010041.db2.gz KCRUMDSSTMDKRN-KRWDZBQOSA-N 0 0 383.456 1.777 10 0 GDAERN CC[C@H](OC(=O)/C=C\c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000033247006 210630263 /nfs/dbraw/zinc/63/02/63/210630263.db2.gz GCGXINJBJCZOND-XMELGKRDSA-N 0 0 378.406 1.901 10 0 GDAERN O=C(Cn1ncn2c(cc3ccccc32)c1=O)N1CCN(c2ccccc2)CC1 ZINC000020862742 210365053 /nfs/dbraw/zinc/36/50/53/210365053.db2.gz NBXLLRPAUGKLRS-UHFFFAOYSA-N 0 0 387.443 1.998 10 0 GDAERN COC(=O)C1=C(C)NC(=O)[C@]12c1cc(Br)ccc1-c1oc(N)nc12 ZINC000020568967 210349018 /nfs/dbraw/zinc/34/90/18/210349018.db2.gz SNWGXCCKUKVFDB-MRXNPFEDSA-N 0 0 390.193 1.863 10 0 GDAERN Cc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CCOCC4)C3)cnc2nc1C ZINC000065227222 136160361 /nfs/dbraw/zinc/16/03/61/136160361.db2.gz UDGBTLZQJAWLHU-QGZVFWFLSA-N 0 0 398.511 1.306 10 0 GDAERN COc1c(N2CC[NH2+]C[C@@H]2C)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000077301382 136171920 /nfs/dbraw/zinc/17/19/20/136171920.db2.gz NCPTXLFFAMTMBW-JTQLQIEISA-N 0 0 375.400 1.980 10 0 in-vitro GDAERN Cc1ccc2c(c1)/C(=c1\sc3n(c1=O)CN(c1ccccc1)CN=3)C(=O)N2 ZINC000002229490 136193435 /nfs/dbraw/zinc/19/34/35/136193435.db2.gz MKSFBSKTWLYIKR-WUKNDPDISA-N 0 0 376.441 1.424 10 0 GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)CC1 ZINC000073685597 527611223 /nfs/dbraw/zinc/61/12/23/527611223.db2.gz MUXIGSWSJMBFPJ-UHFFFAOYSA-N 0 0 376.420 1.807 10 0 GDAERN CC(C)NC(=O)NC[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1 ZINC000107430267 560044943 /nfs/dbraw/zinc/04/49/43/560044943.db2.gz NKEUQRCPTXFKKW-YWVIFJGQSA-N 0 0 391.390 1.689 10 0 biogenic GDAERN COc1cc(C[C@@]2(O)CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O ZINC000033816103 560088998 /nfs/dbraw/zinc/08/89/98/560088998.db2.gz BVHIKUCXNBQDEM-JSNMRZPZSA-N 0 0 376.405 1.769 10 0 biogenic,in-vitro GDAERN Cc1nc2c(c(C)c1CCC(=O)N1C[C@@H](C)C[C@H](C)C1)c(=O)n(C)c(=O)n2C ZINC000006772859 570383124 /nfs/dbraw/zinc/38/31/24/570383124.db2.gz KAHFBKQIAGHHRX-STQMWFEESA-N 0 0 386.496 1.686 10 0 GDAERN Cc1nn(CC(=O)N2CCCn3nc([C@H](C)O)cc3C2)c(=O)c2ccccc12 ZINC000222348478 570408594 /nfs/dbraw/zinc/40/85/94/570408594.db2.gz AWRSPVHUVDCHKV-AWEZNQCLSA-N 0 0 381.436 1.387 10 0 GDAERN O=C(C1CCOCC1)N1CCC[C@H](CS(=O)(=O)NCc2ccccn2)C1 ZINC000521396654 570457662 /nfs/dbraw/zinc/45/76/62/570457662.db2.gz BUKXLUPFAQICMI-HNNXBMFYSA-N 0 0 381.498 1.166 10 0 GDAERN CCOC[C@@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156598 570553847 /nfs/dbraw/zinc/55/38/47/570553847.db2.gz GJTPMOVODJVTJE-ZDUSSCGKSA-N 0 0 395.525 1.709 10 0 GDAERN CCC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000036157958 570554178 /nfs/dbraw/zinc/55/41/78/570554178.db2.gz IZLJSPDSFYZMCJ-IBGZPJMESA-N 0 0 387.480 1.292 10 0 GDAERN COc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)NCc3ccccc3)C2)cc1 ZINC000064611499 570627286 /nfs/dbraw/zinc/62/72/86/570627286.db2.gz XTYWCCPEJABPBW-MRXNPFEDSA-N 0 0 389.477 1.958 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@](O)(c4nc(C5CC5)no4)C3)ccc2O1 ZINC000275228331 570688897 /nfs/dbraw/zinc/68/88/97/570688897.db2.gz CVGCMAMRHDYAFQ-ZMZPIMSZSA-N 0 0 391.449 1.553 10 0 GDAERN O=S(=O)(c1c[nH]c2ncccc12)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000275289167 570689277 /nfs/dbraw/zinc/68/92/77/570689277.db2.gz LKBBLQTUUBOIFU-INIZCTEOSA-N 0 0 375.410 1.106 10 0 GDAERN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3c(C)noc3C)C1)C(=O)N2C ZINC000065249432 570865793 /nfs/dbraw/zinc/86/57/93/570865793.db2.gz HHANCALKVPTAOU-GOSISDBHSA-N 0 0 391.449 1.609 10 0 GDAERN Cn1c2cnccc2nc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1=O ZINC000065292684 570956668 /nfs/dbraw/zinc/95/66/68/570956668.db2.gz DCEVCYVWZFACAB-UHFFFAOYSA-N 0 0 381.411 1.359 10 0 GDAERN CN(CC(=O)NC1CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037577778 571033193 /nfs/dbraw/zinc/03/31/93/571033193.db2.gz NDSQUDDYOOZWNI-UHFFFAOYSA-N 0 0 395.463 1.280 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1nccn1CC(F)(F)F ZINC000103218677 644601444 /nfs/dbraw/zinc/60/14/44/644601444.db2.gz VRMCRPHBQGHIPM-NSHDSACASA-N 0 0 383.392 1.693 10 0 GDAERN COC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000103756979 644604200 /nfs/dbraw/zinc/60/42/00/644604200.db2.gz WAXQDEITHPQPMK-UHFFFAOYSA-N 0 0 385.262 1.627 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C[C@H]1CC ZINC000116899204 644649155 /nfs/dbraw/zinc/64/91/55/644649155.db2.gz DUUMFXWPXATVOD-CYBMUJFWSA-N 0 0 378.926 1.503 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)[C@H](C)COC)CC1 ZINC000117925055 644651427 /nfs/dbraw/zinc/65/14/27/644651427.db2.gz HBMKVSMUBRZJLS-GFCCVEGCSA-N 0 0 378.926 1.118 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000118334704 644652917 /nfs/dbraw/zinc/65/29/17/644652917.db2.gz UAVFDOGTDSRQFI-CYBMUJFWSA-N 0 0 388.917 1.662 10 0 GDAERN CN(Cc1ccccc1Br)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126565003 644720820 /nfs/dbraw/zinc/72/08/20/644720820.db2.gz VIHBCGDSZIPEDA-GFCCVEGCSA-N 0 0 375.288 1.184 10 0 GDAERN NS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000155536085 644813845 /nfs/dbraw/zinc/81/38/45/644813845.db2.gz 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ZINC000329350391 645308002 /nfs/dbraw/zinc/30/80/02/645308002.db2.gz FAVVUDMLRIKBQO-KGLIPLIRSA-N 0 0 387.527 1.637 10 0 GDAERN Cc1ncc(CN2CCN(S(=O)(=O)c3ccc4c(c3)COC4)CC2)s1 ZINC000329380643 645309679 /nfs/dbraw/zinc/30/96/79/645309679.db2.gz PWROIIXBFSQYTM-UHFFFAOYSA-N 0 0 379.507 1.988 10 0 GDAERN C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000329572961 645317132 /nfs/dbraw/zinc/31/71/32/645317132.db2.gz JILUDSUZKXJXTE-HNNXBMFYSA-N 0 0 386.539 1.100 10 0 GDAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000367574030 645604235 /nfs/dbraw/zinc/60/42/35/645604235.db2.gz VDMKOVWUYBASKI-QGTPRVQTSA-N 0 0 393.281 1.492 10 0 GDAERN CN1C[C@H](CNC(=O)c2ccc(F)cc2I)CC1=O ZINC000598264540 652469428 /nfs/dbraw/zinc/46/94/28/652469428.db2.gz YBSPEUQHFUYTGJ-QMMMGPOBSA-N 0 0 376.169 1.638 10 0 GDAERN CC1CCC(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702793799 654833018 /nfs/dbraw/zinc/83/30/18/654833018.db2.gz ZUYFZISNEPVCTM-SHWKFHJASA-N 0 0 376.519 1.712 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccc(Br)o2)C1 ZINC000702819046 654833055 /nfs/dbraw/zinc/83/30/55/654833055.db2.gz ZXVSIODCCQZWIF-UWVGGRQHSA-N 0 0 389.246 2.000 10 0 GDAERN O=S(=O)(C=Cc1ccc(Br)cc1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000790475287 655050685 /nfs/dbraw/zinc/05/06/85/655050685.db2.gz KTSSDASOZAFBEP-DMTLFAOVSA-N 0 0 399.270 1.941 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)cn1 ZINC000900735880 659141840 /nfs/dbraw/zinc/14/18/40/659141840.db2.gz OLDWSEOCOWHLPZ-LBPRGKRZSA-N 0 0 380.495 1.176 10 0 GDAERN O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCOC[C@@H]1CO ZINC000912422760 660036473 /nfs/dbraw/zinc/03/64/73/660036473.db2.gz RWGQHBGWMZMGOA-NEPJUHHUSA-N 0 0 383.242 1.022 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000708546850 954999301 /nfs/dbraw/zinc/99/93/01/954999301.db2.gz RUZQYDJABFLOFZ-UAGQMJEPSA-N 0 0 381.498 1.138 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000704151326 977219703 /nfs/dbraw/zinc/21/97/03/977219703.db2.gz IBFBOLYUFHJNLY-XAUMDUMWSA-N 0 0 375.469 1.782 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000708533377 977434067 /nfs/dbraw/zinc/43/40/67/977434067.db2.gz QDHRYNOKEOTOER-HOCLYGCPSA-N 0 0 392.481 1.014 10 0 GDAERN O=C([O-])CC1CC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000718040861 977932814 /nfs/dbraw/zinc/93/28/14/977932814.db2.gz IEIHQVMKWYZYTA-DAWZGUTISA-N 0 0 375.469 1.830 10 0 GDAERN CCCC(=O)N1CCN(c2c(C)n(-c3ccccc3)c(=O)n(CC)c2=O)CC1 ZINC000015863313 210175642 /nfs/dbraw/zinc/17/56/42/210175642.db2.gz GELJMNBDNGCROD-UHFFFAOYSA-N 0 0 384.480 1.776 10 0 GDAERN CCc1ccc(C(=O)N2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 ZINC000014746418 210126525 /nfs/dbraw/zinc/12/65/25/210126525.db2.gz PJGPYLVLFFTCPL-WOJBJXKFSA-N 0 0 391.471 1.643 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000166718050 530583447 /nfs/dbraw/zinc/58/34/47/530583447.db2.gz BIODAFXCNPCLAV-NSHDSACASA-N 0 0 388.649 1.778 10 0 GDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000027849223 530589509 /nfs/dbraw/zinc/58/95/09/530589509.db2.gz NOWLNXLFFADDDL-SFYZADRCSA-N 0 0 398.179 1.536 10 0 GDAERN C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCCO1 ZINC000027894573 530590141 /nfs/dbraw/zinc/59/01/41/530590141.db2.gz KERKABZPVRNXOI-RNCFNFMXSA-N 0 0 381.226 1.729 10 0 GDAERN CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1Cl ZINC000170898276 530591011 /nfs/dbraw/zinc/59/10/11/530591011.db2.gz HHLBLEFCOJWWOH-LBPRGKRZSA-N 0 0 383.861 1.780 10 0 GDAERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172005287 530606828 /nfs/dbraw/zinc/60/68/28/530606828.db2.gz YDVYPZMNMKVNSY-STQMWFEESA-N 0 0 386.539 1.880 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCC(O)CC3)C2)s1 ZINC000041946071 530625233 /nfs/dbraw/zinc/62/52/33/530625233.db2.gz QIMDIXKTJFTUMG-WLYUNCDWSA-N 0 0 386.539 1.877 10 0 GDAERN CCN(C)S(=O)(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000173499438 530631500 /nfs/dbraw/zinc/63/15/00/530631500.db2.gz AAOHGKQQWNIQSL-LBPRGKRZSA-N 0 0 379.276 1.839 10 0 GDAERN C[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)s1 ZINC000047525425 530660665 /nfs/dbraw/zinc/66/06/65/530660665.db2.gz IBBILDVXSRUWPM-GARJFASQSA-N 0 0 390.914 1.614 10 0 GDAERN C[C@H]1CN([C@@H](CNS(=O)(=O)CC2CCOCC2)c2cccs2)CCO1 ZINC000175221687 530661127 /nfs/dbraw/zinc/66/11/27/530661127.db2.gz ZPOHLNJCGFXCFU-HOCLYGCPSA-N 0 0 388.555 1.856 10 0 GDAERN COCCNC(=O)c1nn(CCC(C)C)c2c1CN(CCC(=O)OC)CC2 ZINC000014535023 210119000 /nfs/dbraw/zinc/11/90/00/210119000.db2.gz YFORULYTJINMFO-UHFFFAOYSA-N 0 0 380.489 1.227 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176096398 530677168 /nfs/dbraw/zinc/67/71/68/530677168.db2.gz QPGZGLCLLBGPOM-LLVKDONJSA-N 0 0 378.230 1.939 10 0 GDAERN COc1cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)ccc1Br ZINC000176750486 530690037 /nfs/dbraw/zinc/69/00/37/530690037.db2.gz SAKWAFZOQCZALW-NSHDSACASA-N 0 0 387.259 1.863 10 0 GDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(Br)cnc1Cl ZINC000176747130 530690265 /nfs/dbraw/zinc/69/02/65/530690265.db2.gz SUUQCZIYKATIOG-QMMMGPOBSA-N 0 0 392.666 1.902 10 0 GDAERN COC(=O)C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1cccc(Br)c1 ZINC000053413178 530692844 /nfs/dbraw/zinc/69/28/44/530692844.db2.gz MNNHRGKAXXWFPP-LBPRGKRZSA-N 0 0 380.198 1.979 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000177206257 530699034 /nfs/dbraw/zinc/69/90/34/530699034.db2.gz AGTBLDNCLLIHNN-AWEZNQCLSA-N 0 0 382.511 1.613 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000177219375 530699177 /nfs/dbraw/zinc/69/91/77/530699177.db2.gz KKLBOUAWOQSKRU-TZMCWYRMSA-N 0 0 382.511 1.611 10 0 GDAERN C[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1N1CCOCC1 ZINC000177227711 530699410 /nfs/dbraw/zinc/69/94/10/530699410.db2.gz LHZRWJJHKLFGPU-JSGCOSHPSA-N 0 0 383.290 1.435 10 0 GDAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCC(n2cncn2)CC1 ZINC000177421009 530703455 /nfs/dbraw/zinc/70/34/55/530703455.db2.gz BSASNTRXVLSXAB-UHFFFAOYSA-N 0 0 378.230 1.843 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnn3cc(Br)cnc13)CC2 ZINC000179575748 530744456 /nfs/dbraw/zinc/74/44/56/530744456.db2.gz RJMSPEKJARVXNL-SNVBAGLBSA-N 0 0 390.245 1.391 10 0 GDAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c(Cl)s1 ZINC000179911170 530752748 /nfs/dbraw/zinc/75/27/48/530752748.db2.gz FQAGXDFXBZQMGA-SNVBAGLBSA-N 0 0 398.959 1.664 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)ccc1Br ZINC000179908308 530753259 /nfs/dbraw/zinc/75/32/59/530753259.db2.gz SLQRRSWXPQAYCI-LLVKDONJSA-N 0 0 376.226 1.403 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCC(n3cncn3)CC2)sc1Br ZINC000180062615 530756552 /nfs/dbraw/zinc/75/65/52/530756552.db2.gz ZTAZMMGDYLKABP-UHFFFAOYSA-N 0 0 392.304 1.831 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000180210955 530760144 /nfs/dbraw/zinc/76/01/44/530760144.db2.gz WTCBJFLHTLSIPD-SNVBAGLBSA-N 0 0 381.148 1.794 10 0 GDAERN Cc1cc(SCC(=O)N2CCOC[C@@H]2C(N)=O)c(C)cc1Br ZINC000180213509 530760817 /nfs/dbraw/zinc/76/08/17/530760817.db2.gz ISTNLPKAQQLUSR-GFCCVEGCSA-N 0 0 387.299 1.871 10 0 GDAERN O=C(c1ncccc1C(F)(F)F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000180259977 530761892 /nfs/dbraw/zinc/76/18/92/530761892.db2.gz HWMWCRPNEAUDHP-NSHDSACASA-N 0 0 377.388 1.741 10 0 GDAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H](C)C2 ZINC000181106441 530778181 /nfs/dbraw/zinc/77/81/81/530778181.db2.gz CCFWERVGFMYENQ-ZUZCIYMTSA-N 0 0 392.253 1.657 10 0 GDAERN CC(C)[C@H](C)CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000067906040 530780883 /nfs/dbraw/zinc/78/08/83/530780883.db2.gz PJVHMVTXMGVQTQ-BZUAXINKSA-N 0 0 375.535 1.167 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)c2ccncc2I)cn1 ZINC000181448311 530783606 /nfs/dbraw/zinc/78/36/06/530783606.db2.gz GJGPCBKLAZOTPO-CYBMUJFWSA-N 0 0 397.220 1.206 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC000180542626 530768070 /nfs/dbraw/zinc/76/80/70/530768070.db2.gz UGZMDCKIKISIFW-JTQLQIEISA-N 0 0 392.047 1.538 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cnc1Br ZINC000182816002 530805377 /nfs/dbraw/zinc/80/53/77/530805377.db2.gz LIXISDLAVYSUDB-ZDUSSCGKSA-N 0 0 381.274 1.788 10 0 GDAERN CN(CC1CC(O)C1)S(=O)(=O)c1ccc(I)cc1 ZINC000091489646 530809614 /nfs/dbraw/zinc/80/96/14/530809614.db2.gz UVZUOIUSXQVNRD-UHFFFAOYSA-N 0 0 381.235 1.683 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc(Br)c1Cl ZINC000183202404 530811289 /nfs/dbraw/zinc/81/12/89/530811289.db2.gz KBDNDMCECHIVHH-JTQLQIEISA-N 0 0 377.666 1.525 10 0 GDAERN Cc1nc(CN2CCCN(CC(=O)NCc3ccc(Cl)s3)CC2)no1 ZINC000106146672 530846449 /nfs/dbraw/zinc/84/64/49/530846449.db2.gz PWBNXSXEVDVZRP-UHFFFAOYSA-N 0 0 383.905 1.917 10 0 GDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cn1 ZINC000185920819 530848466 /nfs/dbraw/zinc/84/84/66/530848466.db2.gz HDEMXHJEJNCKKC-CYBMUJFWSA-N 0 0 380.495 1.774 10 0 GDAERN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(c2cccs2)C(=O)C1 ZINC000186088724 530850972 /nfs/dbraw/zinc/85/09/72/530850972.db2.gz BRNJANJCEZSJDJ-VIFPVBQESA-N 0 0 378.376 1.173 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000186348930 530856061 /nfs/dbraw/zinc/85/60/61/530856061.db2.gz KJZKKLQFQYXFRG-JTQLQIEISA-N 0 0 379.225 1.842 10 0 GDAERN CCc1csc([C@H]2CCCN(C(=O)c3ccnc(S(N)(=O)=O)c3)C2)n1 ZINC000187091770 530867490 /nfs/dbraw/zinc/86/74/90/530867490.db2.gz JTOAUQBHBSJLIU-LBPRGKRZSA-N 0 0 380.495 1.768 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187234457 530868639 /nfs/dbraw/zinc/86/86/39/530868639.db2.gz HMZROSKFEGRECI-LBPRGKRZSA-N 0 0 386.221 1.572 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)C[C@H](C)O1 ZINC000105549135 530843242 /nfs/dbraw/zinc/84/32/42/530843242.db2.gz QKDSQQPYZGYOLK-ZNMIVQPWSA-N 0 0 389.543 1.065 10 0 GDAERN CC(C)(C)NC(=O)C[S@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000105691886 530843934 /nfs/dbraw/zinc/84/39/34/530843934.db2.gz ZCUISILYZOQQGV-QHCPKHFHSA-N 0 0 376.500 1.228 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(Br)cc3)C2)cn1 ZINC000116470048 530905147 /nfs/dbraw/zinc/90/51/47/530905147.db2.gz XFFUDJOWHNGASC-CYBMUJFWSA-N 0 0 391.269 1.929 10 0 GDAERN CN(C)c1noc(C2CCN(S(=O)(=O)Cc3ccc(Cl)nc3)CC2)n1 ZINC000189054861 530906418 /nfs/dbraw/zinc/90/64/18/530906418.db2.gz ZHTRVJMLDRIPCS-UHFFFAOYSA-N 0 0 385.877 1.893 10 0 GDAERN C[C@H]1CN(C(=O)NOCc2ccc(F)cc2Br)CCS1(=O)=O ZINC000189109172 530908075 /nfs/dbraw/zinc/90/80/75/530908075.db2.gz PJOXBUALVDBYDE-VIFPVBQESA-N 0 0 395.250 1.848 10 0 GDAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)n1 ZINC000116899868 530910007 /nfs/dbraw/zinc/91/00/07/530910007.db2.gz JDZVKHGZZLQFJF-CYBMUJFWSA-N 0 0 386.909 1.691 10 0 GDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)c1 ZINC000112094436 530878235 /nfs/dbraw/zinc/87/82/35/530878235.db2.gz AKXWLEOXSIYTPA-LLVKDONJSA-N 0 0 375.372 1.699 10 0 GDAERN C[C@@H](CNC(=O)C(=O)N1CCc2ccc(Br)cc21)N1CCOCC1 ZINC000112472859 530881043 /nfs/dbraw/zinc/88/10/43/530881043.db2.gz ORPGHAAWUCGRET-LBPRGKRZSA-N 0 0 396.285 1.175 10 0 GDAERN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3cccs3)CC2)c1Cl ZINC000112363068 530881452 /nfs/dbraw/zinc/88/14/52/530881452.db2.gz KNKPOAZKOKSAIU-UHFFFAOYSA-N 0 0 388.902 1.672 10 0 GDAERN COc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000112362525 530881512 /nfs/dbraw/zinc/88/15/12/530881512.db2.gz CKWDJQCTXSYXEW-CQSZACIVSA-N 0 0 385.873 1.943 10 0 GDAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188012041 530882660 /nfs/dbraw/zinc/88/26/60/530882660.db2.gz JCGBBSPHSDYFQI-UHFFFAOYSA-N 0 0 398.232 1.654 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000188075569 530884247 /nfs/dbraw/zinc/88/42/47/530884247.db2.gz QFNJVWVKNHUNQR-LLVKDONJSA-N 0 0 377.242 1.985 10 0 GDAERN O=C(COc1ccc(F)c(Cl)c1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000113036423 530886427 /nfs/dbraw/zinc/88/64/27/530886427.db2.gz CYPISGVQNRZKHU-CYBMUJFWSA-N 0 0 390.864 1.884 10 0 GDAERN COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCN(C)C(=O)C1 ZINC000188206636 530888841 /nfs/dbraw/zinc/88/88/41/530888841.db2.gz 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530916362 /nfs/dbraw/zinc/91/63/62/530916362.db2.gz UZBWFAFRSNRTDO-JTQLQIEISA-N 0 0 379.766 1.744 10 0 GDAERN CN([C@H]1CS(=O)(=O)c2ccc(Cl)cc21)S(=O)(=O)CCN1CCCC1 ZINC000189755429 530920030 /nfs/dbraw/zinc/92/00/30/530920030.db2.gz HCBUDVCQMCGHSC-AWEZNQCLSA-N 0 0 392.930 1.526 10 0 GDAERN COc1ccc(Cl)cc1S(=O)(=O)N1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000119457991 530926275 /nfs/dbraw/zinc/92/62/75/530926275.db2.gz DNSTYNCHLMHAGE-CABCVRRESA-N 0 0 388.917 1.958 10 0 GDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000190342439 530928883 /nfs/dbraw/zinc/92/88/83/530928883.db2.gz FZPCNUZODXGTGF-GFCCVEGCSA-N 0 0 387.205 1.999 10 0 GDAERN O=C(COc1ccccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000121847767 530963011 /nfs/dbraw/zinc/96/30/11/530963011.db2.gz ZETHOHLHEGGUOP-CYBMUJFWSA-N 0 0 380.242 1.952 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000191038528 530942774 /nfs/dbraw/zinc/94/27/74/530942774.db2.gz NIKVTXKOHPIRBY-UHFFFAOYSA-N 0 0 377.750 1.988 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C(N)=O ZINC000191258464 530946235 /nfs/dbraw/zinc/94/62/35/530946235.db2.gz VXKWWZKTOHLEDD-JTQLQIEISA-N 0 0 378.173 1.292 10 0 GDAERN CC(=O)NC1CN(C(=O)c2ccnc(Cl)c2I)C1 ZINC000191477631 530949505 /nfs/dbraw/zinc/94/95/05/530949505.db2.gz QDXZVUUQXIUGLP-UHFFFAOYSA-N 0 0 379.585 1.300 10 0 GDAERN Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccncc1I ZINC000121169654 530951614 /nfs/dbraw/zinc/95/16/14/530951614.db2.gz MRIUQLKSBOXQNW-NSHDSACASA-N 0 0 383.193 1.792 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000121280825 530953215 /nfs/dbraw/zinc/95/32/15/530953215.db2.gz ANDPWPHCHLYGJL-NSHDSACASA-N 0 0 386.221 1.654 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000193116913 530980505 /nfs/dbraw/zinc/98/05/05/530980505.db2.gz WOSGQRKVFJYODF-HUUCEWRRSA-N 0 0 383.286 1.868 10 0 GDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000193168206 530981109 /nfs/dbraw/zinc/98/11/09/530981109.db2.gz GZQPVWLUBIHGOA-LBPRGKRZSA-N 0 0 397.273 1.690 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cn2)CCS1 ZINC000193194767 530981426 /nfs/dbraw/zinc/98/14/26/530981426.db2.gz WUNKYQXLPKMZQK-QMMMGPOBSA-N 0 0 391.234 1.589 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1C ZINC000193276798 530982649 /nfs/dbraw/zinc/98/26/49/530982649.db2.gz MZALCLDAYZMVNH-GFCCVEGCSA-N 0 0 399.289 1.352 10 0 GDAERN CCN1CCO[C@H](CNS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000122048112 530966119 /nfs/dbraw/zinc/96/61/19/530966119.db2.gz WZHJRHOVUBNSIS-SNVBAGLBSA-N 0 0 383.333 1.818 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1c(F)cc(F)cc1Br ZINC000192280856 530966256 /nfs/dbraw/zinc/96/62/56/530966256.db2.gz ULVGDDBJGCNVHI-JTQLQIEISA-N 0 0 394.216 1.542 10 0 GDAERN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000123682039 530986303 /nfs/dbraw/zinc/98/63/03/530986303.db2.gz BWUPFKMQMDSHFC-NWDGAFQWSA-N 0 0 377.268 1.570 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)ncc1Br ZINC000193479115 530987873 /nfs/dbraw/zinc/98/78/73/530987873.db2.gz SBCGUJLZVNIBBE-HIFRSBDPSA-N 0 0 390.237 1.866 10 0 GDAERN C[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)O1 ZINC000123862366 530988604 /nfs/dbraw/zinc/98/86/04/530988604.db2.gz LHJVYXOUHPOAGQ-XHDPSFHLSA-N 0 0 390.864 1.880 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193558307 530989101 /nfs/dbraw/zinc/98/91/01/530989101.db2.gz NBGHBHPWKHFJGA-AWEZNQCLSA-N 0 0 394.269 1.613 10 0 GDAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cccc3nsnc31)CC2 ZINC000194801802 531010825 /nfs/dbraw/zinc/01/08/25/531010825.db2.gz TUKAKVVFLPREQY-JTQLQIEISA-N 0 0 378.483 1.700 10 0 GDAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000126353451 531017833 /nfs/dbraw/zinc/01/78/33/531017833.db2.gz JSMYDQIRQMSWSL-UWVGGRQHSA-N 0 0 388.852 1.757 10 0 GDAERN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000216281889 531027019 /nfs/dbraw/zinc/02/70/19/531027019.db2.gz RAONEFHCYLDGQU-ZIAGYGMSSA-N 0 0 389.495 1.431 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)c(C)[nH]c1=O)CC2 ZINC000127217028 531027523 /nfs/dbraw/zinc/02/75/23/531027523.db2.gz WQLJBBZBOGNKTF-VIFPVBQESA-N 0 0 380.246 1.757 10 0 GDAERN COc1ncnc2c1CN(C(=O)C(=O)Nc1ccccc1Br)CC2 ZINC000127380048 531029668 /nfs/dbraw/zinc/02/96/68/531029668.db2.gz ANSJXTNQBNJXMJ-UHFFFAOYSA-N 0 0 391.225 1.771 10 0 GDAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(Br)cc1-n1cncn1 ZINC000127740898 531033156 /nfs/dbraw/zinc/03/31/56/531033156.db2.gz SYUHENGOEHHFIE-LBPRGKRZSA-N 0 0 388.229 1.886 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C ZINC000246031502 531062384 /nfs/dbraw/zinc/06/23/84/531062384.db2.gz MBKMRMGIFCRUFK-UWVGGRQHSA-N 0 0 375.803 1.470 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000246427693 531066830 /nfs/dbraw/zinc/06/68/30/531066830.db2.gz GNBDPZQWOLGNKA-IUODEOHRSA-N 0 0 389.315 1.790 10 0 GDAERN C[C@H](CNC(=O)c1ccc(F)c(I)c1)N1CCOCC1 ZINC000130119251 531057525 /nfs/dbraw/zinc/05/75/25/531057525.db2.gz 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Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000133245944 531089076 /nfs/dbraw/zinc/08/90/76/531089076.db2.gz OZOFXKAIDYGDEU-GFCCVEGCSA-N 0 0 375.288 1.999 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000253356094 531092159 /nfs/dbraw/zinc/09/21/59/531092159.db2.gz WJUFDOJCBJOQCK-CHWSQXEVSA-N 0 0 385.452 1.191 10 0 GDAERN O=C(NC[C@@H](O)c1ccsc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000246764143 531069825 /nfs/dbraw/zinc/06/98/25/531069825.db2.gz ARIAAZCSXPNNGW-JKSUJKDBSA-N 0 0 380.491 1.751 10 0 GDAERN O=C(c1cncc(Br)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136382607 531114642 /nfs/dbraw/zinc/11/46/42/531114642.db2.gz DNXVASSRDJTXQK-UHFFFAOYSA-N 0 0 388.229 1.244 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000151578540 531139982 /nfs/dbraw/zinc/13/99/82/531139982.db2.gz UEXRPTKAXIBXQG-NSHDSACASA-N 0 0 383.499 1.222 10 0 GDAERN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1CNC(=O)C1 ZINC000150884082 531130922 /nfs/dbraw/zinc/13/09/22/531130922.db2.gz 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/nfs/dbraw/zinc/02/99/04/532029904.db2.gz NEQMFRLVTAIXHX-UHFFFAOYSA-N 0 0 395.232 1.644 10 0 GDAERN COCCc1nsc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 ZINC000301504932 532035202 /nfs/dbraw/zinc/03/52/02/532035202.db2.gz CJRPVBIPJQUNLS-UHFFFAOYSA-N 0 0 386.474 1.377 10 0 GDAERN COC(=O)[C@]12CCC[C@@H]1CN(c1ncnc3c1c(Br)nn3C)C2 ZINC000302194449 532046879 /nfs/dbraw/zinc/04/68/79/532046879.db2.gz SCCBWZDYYDHZIJ-PSLIRLAXSA-N 0 0 380.246 1.905 10 0 GDAERN Cc1ccc(CN(C)c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)cc1F ZINC000302693729 532049437 /nfs/dbraw/zinc/04/94/37/532049437.db2.gz FTVBMIKBTQMRFA-UHFFFAOYSA-N 0 0 386.470 1.821 10 0 GDAERN CN1CCN(S(=O)(=O)c2sccc2Br)C[C@H]1c1ncc[nH]1 ZINC000328639658 532088628 /nfs/dbraw/zinc/08/86/28/532088628.db2.gz WYOGRNKXUBIEKD-JTQLQIEISA-N 0 0 391.316 1.911 10 0 GDAERN CCS(=O)(=O)N1CCc2c(=O)n(Cc3csc(C4CC4)n3)cnc2C1 ZINC000328634401 532088793 /nfs/dbraw/zinc/08/87/93/532088793.db2.gz MTSZIACBPGPVGG-UHFFFAOYSA-N 0 0 380.495 1.333 10 0 GDAERN CC(C)c1csc([C@H]2CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)n1 ZINC000329611637 532106512 /nfs/dbraw/zinc/10/65/12/532106512.db2.gz DIDJKTOTADDCCX-AWEZNQCLSA-N 0 0 385.555 1.703 10 0 GDAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)n1 ZINC000329611638 532106581 /nfs/dbraw/zinc/10/65/81/532106581.db2.gz DIDJKTOTADDCCX-CQSZACIVSA-N 0 0 385.555 1.703 10 0 GDAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCCN(c2cccnn2)CC1 ZINC000329602324 532106959 /nfs/dbraw/zinc/10/69/59/532106959.db2.gz KWMIKRRFLFNZJN-UHFFFAOYSA-N 0 0 378.230 1.692 10 0 GDAERN C[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1cccc(-n2ccnc2)c1 ZINC000329635115 532108147 /nfs/dbraw/zinc/10/81/47/532108147.db2.gz UHKUIEVFTBECDX-CYBMUJFWSA-N 0 0 383.495 1.430 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc(I)cc2)C1 ZINC000285775117 532111422 /nfs/dbraw/zinc/11/14/22/532111422.db2.gz BPXJUOISUHCZLQ-AWEZNQCLSA-N 0 0 388.205 1.603 10 0 GDAERN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2c(Br)cnn2C)CC(=O)N1C ZINC000330175562 532117110 /nfs/dbraw/zinc/11/71/10/532117110.db2.gz 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Cc1cccc(C)c1OCC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000328617828 209148000 /nfs/dbraw/zinc/14/80/00/209148000.db2.gz DBTKGIRIYXXSIW-MRXNPFEDSA-N 0 0 377.466 1.414 10 0 GDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2noc3c2CCCC3)cn1 ZINC000328628708 209147815 /nfs/dbraw/zinc/14/78/15/209147815.db2.gz NYRISZWSZBENIN-AWEZNQCLSA-N 0 0 378.454 1.382 10 0 GDAERN CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)Nc3ccc(C(C)=O)cc3)CO[C@H]12 ZINC000004235775 211536798 /nfs/dbraw/zinc/53/67/98/211536798.db2.gz BCKIKVWQZHJBAB-ZJIFWQFVSA-N 0 0 377.397 1.292 10 0 biogenic GDAERN CCOC(=O)N1CCN(NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000098178408 211380702 /nfs/dbraw/zinc/38/07/02/211380702.db2.gz BXEJXVVZYCNQBF-UHFFFAOYSA-N 0 0 392.275 1.417 10 0 GDAERN Cc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400140 211341522 /nfs/dbraw/zinc/34/15/22/211341522.db2.gz HNHMUILOJGTZOJ-UHFFFAOYSA-N 0 0 383.477 1.602 10 0 GDAERN O=C(c1ccncc1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 ZINC000096145451 211308465 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/nfs/dbraw/zinc/76/14/71/530761471.db2.gz SSJRMQKJAKUQDO-DOMZBBRYSA-N 0 0 396.285 1.567 10 0 GDAERN NC(=O)[C@H]1COCCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000179731952 530748507 /nfs/dbraw/zinc/74/85/07/530748507.db2.gz TUZIQBAZWAXCDF-GFCCVEGCSA-N 0 0 381.230 1.109 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@H]2COc3ccc(Br)cc32)cn1 ZINC000181438138 530783227 /nfs/dbraw/zinc/78/32/27/530783227.db2.gz SNQOPGPNUHIUGD-GJZGRUSLSA-N 0 0 391.269 1.832 10 0 GDAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H]1C ZINC000180348484 530765349 /nfs/dbraw/zinc/76/53/49/530765349.db2.gz XGNHKBDBAGEVEM-HTQZYQBOSA-N 0 0 388.358 1.458 10 0 GDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)N2CCc3sccc3C2)n1C ZINC000182395277 530798606 /nfs/dbraw/zinc/79/86/06/530798606.db2.gz BRUHHCKGFYVVCC-UHFFFAOYSA-N 0 0 382.511 1.500 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CCO2)[nH]1 ZINC000182081555 530794119 /nfs/dbraw/zinc/79/41/19/530794119.db2.gz IGSOATAGLWEYKP-SNVBAGLBSA-N 0 0 377.348 1.289 10 0 GDAERN CN(C[C@@H]1CCCO1)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000102897441 530830667 /nfs/dbraw/zinc/83/06/67/530830667.db2.gz PXVPDPPLQYSABV-NSHDSACASA-N 0 0 381.226 1.683 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184966830 530834405 /nfs/dbraw/zinc/83/44/05/530834405.db2.gz YURVWJGIXNNBKT-LBPRGKRZSA-N 0 0 377.392 1.804 10 0 GDAERN Cn1cnc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)c1Cl ZINC000183258509 530812348 /nfs/dbraw/zinc/81/23/48/530812348.db2.gz FRBSBCKUIPIPJN-NSHDSACASA-N 0 0 389.264 1.589 10 0 GDAERN Cc1noc(CCNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)n1 ZINC000103781031 530836346 /nfs/dbraw/zinc/83/63/46/530836346.db2.gz MABLSAPSCYIBHP-ZDUSSCGKSA-N 0 0 380.857 1.905 10 0 GDAERN COc1cc([C@H]2NC(=O)[C@@H]3COCCN32)cc(Br)c1OC(F)F ZINC000093885287 530814478 /nfs/dbraw/zinc/81/44/78/530814478.db2.gz SFCCCOBXOUMNQA-CABZTGNLSA-N 0 0 393.184 1.888 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000106659106 530849338 /nfs/dbraw/zinc/84/93/38/530849338.db2.gz XGUWECQXHWELTM-OAHLLOKOSA-N 0 0 376.425 1.664 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)c2csc(I)c2)CC1 ZINC000107597350 530854830 /nfs/dbraw/zinc/85/48/30/530854830.db2.gz WHCMRZBTWHTLLG-NSHDSACASA-N 0 0 394.278 1.881 10 0 GDAERN O=C(CN[C@@H](c1ccc(Br)cc1)c1cncnc1)N1CCOCC1 ZINC000186310510 530855118 /nfs/dbraw/zinc/85/51/18/530855118.db2.gz VTKWXWFOYUJXRM-KRWDZBQOSA-N 0 0 391.269 1.777 10 0 GDAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000108278607 530856828 /nfs/dbraw/zinc/85/68/28/530856828.db2.gz WTSSCPFOXBHMCP-SECBINFHSA-N 0 0 376.410 1.813 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000108692137 530858611 /nfs/dbraw/zinc/85/86/11/530858611.db2.gz PJHKWSLFXRNYJS-ZBFHGGJFSA-N 0 0 386.901 1.912 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)n1 ZINC000109653279 530863538 /nfs/dbraw/zinc/86/35/38/530863538.db2.gz SNEQCESJQCZCLO-UHFFFAOYSA-N 0 0 380.246 1.928 10 0 GDAERN Cc1cnn([C@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)c1 ZINC000109686364 530863789 /nfs/dbraw/zinc/86/37/89/530863789.db2.gz GLINQLHSVLFLGH-AWEZNQCLSA-N 0 0 382.511 1.785 10 0 GDAERN Cc1cccc(F)c1S(=O)(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000185269510 530839193 /nfs/dbraw/zinc/83/91/93/530839193.db2.gz LASXEEFTXHVTCT-ZDUSSCGKSA-N 0 0 376.475 1.323 10 0 GDAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000104797424 530840746 /nfs/dbraw/zinc/84/07/46/530840746.db2.gz GFANGQWOVSOURC-ZDUSSCGKSA-N 0 0 388.299 1.551 10 0 GDAERN NC(=O)[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000105399976 530842236 /nfs/dbraw/zinc/84/22/36/530842236.db2.gz WHZWPHOJOVRYAA-CQSZACIVSA-N 0 0 398.282 1.413 10 0 GDAERN O=C(c1cccc(I)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000105569807 530843053 /nfs/dbraw/zinc/84/30/53/530843053.db2.gz LZMUHHJYYWZIOO-AWEZNQCLSA-N 0 0 386.233 1.838 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cc(Br)c2c(c1)OCCO2 ZINC000115151073 530898499 /nfs/dbraw/zinc/89/84/99/530898499.db2.gz NQPRPIIKFHLYLU-CYBMUJFWSA-N 0 0 397.269 1.813 10 0 GDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)c1 ZINC000112094438 530878211 /nfs/dbraw/zinc/87/82/11/530878211.db2.gz AKXWLEOXSIYTPA-NSHDSACASA-N 0 0 375.372 1.699 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1)C1CC1 ZINC000187923179 530880193 /nfs/dbraw/zinc/88/01/93/530880193.db2.gz ZAFPLOADDLCXBE-UHFFFAOYSA-N 0 0 395.225 1.626 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)c(Br)c1 ZINC000188016266 530882874 /nfs/dbraw/zinc/88/28/74/530882874.db2.gz MOPXDSOFJFIWLD-UHFFFAOYSA-N 0 0 394.269 1.823 10 0 GDAERN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000113298586 530889146 /nfs/dbraw/zinc/88/91/46/530889146.db2.gz TXTWDFPDPGYIKJ-SNVBAGLBSA-N 0 0 387.259 1.343 10 0 GDAERN Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000113789610 530891924 /nfs/dbraw/zinc/89/19/24/530891924.db2.gz YBHIBCMJRMGAMZ-GXTWGEPZSA-N 0 0 384.885 1.647 10 0 GDAERN O=C(c1cccnc1C(F)(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000188417136 530894323 /nfs/dbraw/zinc/89/43/23/530894323.db2.gz VTSQDNJOIAWZMO-LLVKDONJSA-N 0 0 377.388 1.741 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000114874822 530897640 /nfs/dbraw/zinc/89/76/40/530897640.db2.gz RLUMSJOBAAOATJ-NSHDSACASA-N 0 0 385.287 1.896 10 0 GDAERN CC(=O)NC1CN(C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)C1 ZINC000190476394 530931073 /nfs/dbraw/zinc/93/10/73/530931073.db2.gz POWORYFGXYRFRX-UHFFFAOYSA-N 0 0 379.873 1.668 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(F)cc1Br ZINC000120034222 530934791 /nfs/dbraw/zinc/93/47/91/530934791.db2.gz BAELVARTRSFKDA-LLVKDONJSA-N 0 0 376.226 1.403 10 0 GDAERN COCCN1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C ZINC000117285297 530911873 /nfs/dbraw/zinc/91/18/73/530911873.db2.gz JUPGJNPOMIORJO-JTQLQIEISA-N 0 0 377.226 1.412 10 0 GDAERN O=C(NC1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1)C1CC1 ZINC000189440462 530912806 /nfs/dbraw/zinc/91/28/06/530912806.db2.gz RFAWDAOYDMGCLS-UHFFFAOYSA-N 0 0 394.229 1.033 10 0 GDAERN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CC=C(c2cccs2)CC1 ZINC000117720246 530914029 /nfs/dbraw/zinc/91/40/29/530914029.db2.gz GBRCUGSYESBJGB-UHFFFAOYSA-N 0 0 375.475 1.861 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3ccncc3I)CCO2)[nH]1 ZINC000120018401 530934184 /nfs/dbraw/zinc/93/41/84/530934184.db2.gz KKACNEAWHXKAAR-LLVKDONJSA-N 0 0 399.192 1.326 10 0 GDAERN Cc1cnn(CCNC(=O)c2cc(S(C)(=O)=O)ccc2Br)c1 ZINC000117817404 530914984 /nfs/dbraw/zinc/91/49/84/530914984.db2.gz OZTNRGOHZOZXPJ-UHFFFAOYSA-N 0 0 386.271 1.788 10 0 GDAERN O=C(CCOCC(F)(F)C(F)F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000189538745 530915074 /nfs/dbraw/zinc/91/50/74/530915074.db2.gz DEYROWUSTAUETI-NSHDSACASA-N 0 0 390.399 1.320 10 0 GDAERN CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1=O ZINC000190632099 530934392 /nfs/dbraw/zinc/93/43/92/530934392.db2.gz GAGOXOWGXOZGSQ-LBPRGKRZSA-N 0 0 394.269 1.493 10 0 GDAERN CN([C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)S(=O)(=O)CCN1CCCC1 ZINC000189755411 530920073 /nfs/dbraw/zinc/92/00/73/530920073.db2.gz HCBUDVCQMCGHSC-CQSZACIVSA-N 0 0 392.930 1.526 10 0 GDAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2ncnc3c2c(Br)nn3C)C1 ZINC000190084541 530925551 /nfs/dbraw/zinc/92/55/51/530925551.db2.gz IIZAWFJAXMEEHQ-IUCAKERBSA-N 0 0 394.233 1.784 10 0 GDAERN Cn1cc(S(=O)(=O)NCCN2CC[C@H](Oc3cccc(Cl)c3)C2)cn1 ZINC000120417488 530940300 /nfs/dbraw/zinc/94/03/00/530940300.db2.gz VGQKCQAKXAWVIR-HNNXBMFYSA-N 0 0 384.889 1.505 10 0 GDAERN Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1Br ZINC000120925090 530946924 /nfs/dbraw/zinc/94/69/24/530946924.db2.gz YZFRCBGQWJXCMC-LBPRGKRZSA-N 0 0 384.274 1.533 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)COc3ccccc3Br)CCO2)[nH]1 ZINC000123082004 530979273 /nfs/dbraw/zinc/97/92/73/530979273.db2.gz LGTKMFCTQLVPFO-CYBMUJFWSA-N 0 0 381.230 1.855 10 0 GDAERN Cc1ccc([C@@H](CNS(=O)(=O)CC[C@@H]2CCCO2)N2CCOCC2)s1 ZINC000123109293 530979491 /nfs/dbraw/zinc/97/94/91/530979491.db2.gz JDEAOUCIZHTYCJ-JKSUJKDBSA-N 0 0 388.555 1.918 10 0 GDAERN Cc1ccc([C@H](CNS(=O)(=O)CC[C@H]2CCCO2)N2CCOCC2)s1 ZINC000123109837 530979630 /nfs/dbraw/zinc/97/96/30/530979630.db2.gz JDEAOUCIZHTYCJ-CVEARBPZSA-N 0 0 388.555 1.918 10 0 GDAERN C[C@H]1CCN(C(=O)c2ccncc2I)CCS1(=O)=O ZINC000192327147 530966671 /nfs/dbraw/zinc/96/66/71/530966671.db2.gz MXCUNSDXHDYWPG-VIFPVBQESA-N 0 0 394.234 1.335 10 0 GDAERN O=C(NCc1nc(C2CC2)cs1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000122171261 530967494 /nfs/dbraw/zinc/96/74/94/530967494.db2.gz JDQDRKSCTLYOFT-ZDUSSCGKSA-N 0 0 384.527 1.730 10 0 GDAERN Cn1c2ccc(CN3CC[C@@H](S(=O)(=O)N4CCCC4)C3)cc2sc1=O ZINC000192627535 530970789 /nfs/dbraw/zinc/97/07/89/530970789.db2.gz HPTWGYLCYZLZLW-CQSZACIVSA-N 0 0 381.523 1.600 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c(Cl)n1 ZINC000193946294 530996296 /nfs/dbraw/zinc/99/62/96/530996296.db2.gz AQHRSHZDMYJRJI-JSGCOSHPSA-N 0 0 384.889 1.911 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1cc(Br)ccc1F ZINC000123680385 530986009 /nfs/dbraw/zinc/98/60/09/530986009.db2.gz ZNCDYZNEVULAEG-GFCCVEGCSA-N 0 0 393.278 1.730 10 0 GDAERN Cc1c(Br)ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1F ZINC000193482962 530987897 /nfs/dbraw/zinc/98/78/97/530987897.db2.gz JLKSOQCRMXWFPV-UHFFFAOYSA-N 0 0 398.232 1.572 10 0 GDAERN Cc1c(Br)ccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c1F ZINC000193500122 530987907 /nfs/dbraw/zinc/98/79/07/530987907.db2.gz DJQNTSULUJVOMW-UHFFFAOYSA-N 0 0 386.221 1.526 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CCO2)[nH]1 ZINC000126324912 531017618 /nfs/dbraw/zinc/01/76/18/531017618.db2.gz ZOUGZUUTIQRRCX-ZDUSSCGKSA-N 0 0 396.245 1.864 10 0 GDAERN NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195350670 531021634 /nfs/dbraw/zinc/02/16/34/531021634.db2.gz ZOCHEZZQCWSPII-LBPRGKRZSA-N 0 0 380.495 1.609 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H]1N1CCOCC1 ZINC000246395782 531066554 /nfs/dbraw/zinc/06/65/54/531066554.db2.gz CTRGARUHRQRETG-CMPLNLGQSA-N 0 0 395.344 1.852 10 0 GDAERN C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128053201 531037001 /nfs/dbraw/zinc/03/70/01/531037001.db2.gz SIKRDBVSPLRTTJ-GXTWGEPZSA-N 0 0 387.274 1.026 10 0 GDAERN O=C(c1ccc(I)c(O)c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000236561697 531037498 /nfs/dbraw/zinc/03/74/98/531037498.db2.gz MYRWOYHMPMDGKP-MWLCHTKSSA-N 0 0 386.189 1.347 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3cc(S(C)(=O)=O)cs3)CC2)cn1 ZINC000129496386 531051281 /nfs/dbraw/zinc/05/12/81/531051281.db2.gz KICUCQOOIFFSTN-UHFFFAOYSA-N 0 0 382.511 1.233 10 0 GDAERN C[C@@H](CNC(=O)c1ccc(F)c(I)c1)N1CCOCC1 ZINC000130119017 531057533 /nfs/dbraw/zinc/05/75/33/531057533.db2.gz IKCUUUZZAXLXLO-JTQLQIEISA-N 0 0 392.212 1.881 10 0 GDAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000245639600 531059106 /nfs/dbraw/zinc/05/91/06/531059106.db2.gz AATNMULDHCYPAZ-KGLIPLIRSA-N 0 0 386.514 1.831 10 0 GDAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000245699594 531059775 /nfs/dbraw/zinc/05/97/75/531059775.db2.gz BIWKNHJVEKLGNK-PWSUYJOCSA-N 0 0 393.665 1.028 10 0 GDAERN CS(=O)(=O)CCOCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000131661359 531073785 /nfs/dbraw/zinc/07/37/85/531073785.db2.gz PEUWNPVMEOCGSV-CYBMUJFWSA-N 0 0 382.404 1.520 10 0 GDAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000247322860 531074624 /nfs/dbraw/zinc/07/46/24/531074624.db2.gz OUIKWLNUDYMLJT-QWRGUYRKSA-N 0 0 377.919 1.375 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Br)c(Cl)c1 ZINC000132462291 531081456 /nfs/dbraw/zinc/08/14/56/531081456.db2.gz JUYIHJBIPPBVGA-NSHDSACASA-N 0 0 377.666 1.525 10 0 GDAERN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H](O)C1 ZINC000249115414 531084842 /nfs/dbraw/zinc/08/48/42/531084842.db2.gz QUTDDOLVSDEJCO-DZGCQCFKSA-N 0 0 386.901 1.724 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000249476987 531087444 /nfs/dbraw/zinc/08/74/44/531087444.db2.gz ULCARYAABDZPEA-NEPJUHHUSA-N 0 0 375.878 1.531 10 0 GDAERN Cc1nc(C)n(C[C@H]2CCCN(c3cnn(C)c(=O)c3Br)C2)n1 ZINC000261435580 531093481 /nfs/dbraw/zinc/09/34/81/531093481.db2.gz DUIMQRFPLUXMJX-LBPRGKRZSA-N 0 0 381.278 1.668 10 0 GDAERN O=S(=O)(c1c(F)cc(F)cc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134704609 531103292 /nfs/dbraw/zinc/10/32/92/531103292.db2.gz DPTDDKAFOCWRMQ-NSHDSACASA-N 0 0 398.428 1.293 10 0 GDAERN CC(C)CS(=O)(=O)CC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246800550 531069750 /nfs/dbraw/zinc/06/97/50/531069750.db2.gz JTMPEJHQQBCJDI-LSDHHAIUSA-N 0 0 388.555 1.697 10 0 GDAERN O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000141498175 531122331 /nfs/dbraw/zinc/12/23/31/531122331.db2.gz BIARSXXBAVFUFL-STQMWFEESA-N 0 0 380.246 1.388 10 0 GDAERN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1COCCN1 ZINC000262643855 531126249 /nfs/dbraw/zinc/12/62/49/531126249.db2.gz MIASBNDRUWZTKF-CMPLNLGQSA-N 0 0 378.782 1.437 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151422469 531136918 /nfs/dbraw/zinc/13/69/18/531136918.db2.gz AKXMZTDHGJENPN-ZUZCIYMTSA-N 0 0 380.246 1.654 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000151392797 531137317 /nfs/dbraw/zinc/13/73/17/531137317.db2.gz GTDLLNWUWBKBBM-VIFPVBQESA-N 0 0 378.185 1.491 10 0 GDAERN C[C@@H]1C[C@H](C)CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000013110766 210052072 /nfs/dbraw/zinc/05/20/72/210052072.db2.gz NPKVKTZGZFXVPZ-OKILXGFUSA-N 0 0 393.509 1.744 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3ccncc3Br)CC2)no1 ZINC000153912164 531173810 /nfs/dbraw/zinc/17/38/10/531173810.db2.gz JDCIEESMKGCIGJ-UHFFFAOYSA-N 0 0 380.246 1.884 10 0 GDAERN O=C(Nc1ccc(I)cc1)C1CC2(C1)NC(=O)NC2=O ZINC000154734823 531188577 /nfs/dbraw/zinc/18/85/77/531188577.db2.gz YQUWJHLYWHZICQ-UHFFFAOYSA-N 0 0 385.161 1.218 10 0 GDAERN Cc1ccc([C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)N2CCOCC2)s1 ZINC000155014086 531193438 /nfs/dbraw/zinc/19/34/38/531193438.db2.gz IVBZQEZZWVONGF-AWEZNQCLSA-N 0 0 388.555 1.759 10 0 GDAERN Cc1csc(C2CCN([C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000156714932 531205393 /nfs/dbraw/zinc/20/53/93/531205393.db2.gz JAYZGIYYCJKELA-HIFRSBDPSA-N 0 0 385.555 1.665 10 0 GDAERN O=S(=O)(N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000157228504 531206356 /nfs/dbraw/zinc/20/63/56/531206356.db2.gz QYWLNHVHLFOXSQ-KBPBESRZSA-N 0 0 380.388 1.390 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)N2CC(=O)NCC2(C)C)c1 ZINC000407953459 531208293 /nfs/dbraw/zinc/20/82/93/531208293.db2.gz CTPUIGOMFBCJGA-UHFFFAOYSA-N 0 0 377.260 1.357 10 0 GDAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408065275 531215102 /nfs/dbraw/zinc/21/51/02/531215102.db2.gz NKFBAHLRZCVUQY-XQQFMLRXSA-N 0 0 388.511 1.096 10 0 GDAERN Cc1ccc(I)c(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000408061956 531215160 /nfs/dbraw/zinc/21/51/60/531215160.db2.gz GOAJJTRETZERMI-SKDRFNHKSA-N 0 0 388.205 1.314 10 0 GDAERN Cc1noc([C@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)n1 ZINC000408031088 531213171 /nfs/dbraw/zinc/21/31/71/531213171.db2.gz KNNYHBVIYKRXMU-JTQLQIEISA-N 0 0 385.829 1.981 10 0 GDAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000408032288 531213182 /nfs/dbraw/zinc/21/31/82/531213182.db2.gz USLGJRMPPRCLGM-INIZCTEOSA-N 0 0 390.864 1.617 10 0 GDAERN O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCC[C@](F)(CO)C1 ZINC000408119495 531220453 /nfs/dbraw/zinc/22/04/53/531220453.db2.gz JSCSBNWKIJKNFC-XJKSGUPXSA-N 0 0 390.502 1.614 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccncc2I)C1 ZINC000408151597 531222085 /nfs/dbraw/zinc/22/20/85/531222085.db2.gz WOBRGRAUSQDULA-SNVBAGLBSA-N 0 0 388.209 1.241 10 0 GDAERN C[C@H]1CN(S(=O)(=O)N2CCC(NC(=O)c3ccsc3)CC2)[C@@H](C)CO1 ZINC000408237492 531228630 /nfs/dbraw/zinc/22/86/30/531228630.db2.gz NYOORGGUYBUBGR-STQMWFEESA-N 0 0 387.527 1.296 10 0 GDAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000408239238 531228908 /nfs/dbraw/zinc/22/89/08/531228908.db2.gz XRCDPWIZAYZSGA-XQQFMLRXSA-N 0 0 376.500 1.095 10 0 GDAERN CC(C)c1ccccc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000408268494 531229921 /nfs/dbraw/zinc/22/99/21/531229921.db2.gz AOWJTVBWQCLGGW-RHSMWYFYSA-N 0 0 387.523 1.825 10 0 GDAERN Cc1cccc(I)c1C(=O)NC1CCS(=O)(=O)CC1 ZINC000408320829 531232380 /nfs/dbraw/zinc/23/23/80/531232380.db2.gz PHUFJTNONXMPML-UHFFFAOYSA-N 0 0 393.246 1.907 10 0 GDAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000408389299 531237038 /nfs/dbraw/zinc/23/70/38/531237038.db2.gz IKWZLNWLCVHVBF-JOYOIKCWSA-N 0 0 375.809 1.976 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000408446135 531242371 /nfs/dbraw/zinc/24/23/71/531242371.db2.gz HMYSQIPLVWOUBX-GOEBONIOSA-N 0 0 375.535 1.382 10 0 GDAERN Cn1cc([C@H]2CSCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000292327433 531349550 /nfs/dbraw/zinc/34/95/50/531349550.db2.gz WZDCWEZFCMYKMF-RBSFLKMASA-N 0 0 386.543 1.575 10 0 GDAERN Cn1ncc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1I ZINC000292983132 531393406 /nfs/dbraw/zinc/39/34/06/531393406.db2.gz FKJXPWPXZZMZPX-QWRGUYRKSA-N 0 0 375.210 1.808 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)N(S(C)(=O)=O)C1 ZINC000365776036 531681756 /nfs/dbraw/zinc/68/17/56/531681756.db2.gz DCUOEHGBQIUDAH-IACUBPJLSA-N 0 0 387.527 1.336 10 0 GDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000284354557 531951336 /nfs/dbraw/zinc/95/13/36/531951336.db2.gz AVDDBYBHUMOPMW-JKSUJKDBSA-N 0 0 391.896 1.561 10 0 GDAERN Cc1noc([C@@H]2CN(c3ncccc3I)CCN2C)n1 ZINC000284650598 531977319 /nfs/dbraw/zinc/97/73/19/531977319.db2.gz VHHGVJZEDLJKAB-NSHDSACASA-N 0 0 385.209 1.871 10 0 GDAERN Cn1ncc(NCCOc2ccc3c(c2)CCC(=O)N3)c(Br)c1=O ZINC000301244099 532030314 /nfs/dbraw/zinc/03/03/14/532030314.db2.gz PDURKKXRTAWQAE-UHFFFAOYSA-N 0 0 393.241 1.918 10 0 GDAERN CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000329952463 532111264 /nfs/dbraw/zinc/11/12/64/532111264.db2.gz NEUNUENKDPNINE-OAHLLOKOSA-N 0 0 388.511 1.101 10 0 GDAERN C[C@@]12CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333580605 532240911 /nfs/dbraw/zinc/24/09/11/532240911.db2.gz ZRTKHTDRBRLIEJ-IDYSPNNHSA-N 0 0 382.258 1.606 10 0 GDAERN Cc1nc2n(n1)CCN(C(=O)Nc1cc(N(C)C)c(Br)cn1)C2 ZINC000333582410 532241295 /nfs/dbraw/zinc/24/12/95/532241295.db2.gz AQQBVHHAVPIOEB-UHFFFAOYSA-N 0 0 380.250 1.858 10 0 GDAERN C[C@]1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CNC(=O)C1 ZINC000377506311 532261618 /nfs/dbraw/zinc/26/16/18/532261618.db2.gz ARGOACIKAWOPAZ-MRXNPFEDSA-N 0 0 394.225 1.972 10 0 GDAERN CC(=O)N[C@@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1OCc1ccccc1 ZINC000003956819 209458053 /nfs/dbraw/zinc/45/80/53/209458053.db2.gz NXGXFAKJUWEFEC-NALHQMNBSA-N 0 0 399.443 1.908 10 0 GDAERN C[S@](=O)c1cccc(-n2c3[nH]cnc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000001040044 209292926 /nfs/dbraw/zinc/29/29/26/209292926.db2.gz QHSGADUQFRDVOX-HHHXNRCGSA-N 0 0 380.429 1.661 10 0 GDAERN CC(C)([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000090615171 209237008 /nfs/dbraw/zinc/23/70/08/209237008.db2.gz YFAIVPCWNXQGIB-ROUUACIJSA-N 0 0 397.475 1.263 10 0 GDAERN C[C@@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@H](O)[C@H]1O ZINC000000642924 209181744 /nfs/dbraw/zinc/18/17/44/209181744.db2.gz ZMYJTGDNFZJYFN-NELCGZMDSA-N 0 0 392.633 1.790 10 0 GDAERN O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCC(F)(F)F ZINC000003455000 212062643 /nfs/dbraw/zinc/06/26/43/212062643.db2.gz CEIHFXNNRYKODR-UHFFFAOYSA-N 0 0 375.372 1.550 10 0 GDAERN COc1cccc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 ZINC000328625671 209148544 /nfs/dbraw/zinc/14/85/44/209148544.db2.gz KXHXBBZEIWZFCX-QGZVFWFLSA-N 0 0 377.466 1.360 10 0 GDAERN CC(C)n1cc(C[C@H]2NC(=O)N(CCN3CCCc4ccccc43)C2=O)nn1 ZINC000328616013 209146128 /nfs/dbraw/zinc/14/61/28/209146128.db2.gz ZMKBTRWSCYLXIQ-QGZVFWFLSA-N 0 0 382.468 1.979 10 0 GDAERN CNS(=O)(=O)CCc1ccc(NC(C)=O)c(I)c1 ZINC000098179749 211379699 /nfs/dbraw/zinc/37/96/99/211379699.db2.gz CBTUJZIWMGKERC-UHFFFAOYSA-N 0 0 382.223 1.341 10 0 GDAERN CCc1nc(Cn2c3ccc(S(=O)(=O)N(CC)CC)cc3oc2=O)no1 ZINC000096322132 211334836 /nfs/dbraw/zinc/33/48/36/211334836.db2.gz OSTBCGRVLUMREC-UHFFFAOYSA-N 0 0 380.426 1.619 10 0 GDAERN CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1F)S(C)(=O)=O ZINC000096278939 211329461 /nfs/dbraw/zinc/32/94/61/211329461.db2.gz FUZVYMAHZJUNBO-GOSISDBHSA-N 0 0 397.447 1.979 10 0 GDAERN O=C(c1ccoc1)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 ZINC000096062644 211299452 /nfs/dbraw/zinc/29/94/52/211299452.db2.gz VARGXRBPEBJULU-UHFFFAOYSA-N 0 0 376.434 1.873 10 0 GDAERN NC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000095348922 211220370 /nfs/dbraw/zinc/22/03/70/211220370.db2.gz BSVYIZLBVWKKKM-QWHCGFSZSA-N 0 0 397.273 1.415 10 0 GDAERN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000077302584 211128845 /nfs/dbraw/zinc/12/88/45/211128845.db2.gz PMLIJXXZFCRLES-CYBMUJFWSA-N 0 0 383.514 1.627 10 0 in-vitro GDAERN COC(=O)c1cc2n(n1)CCN(C(=O)C[C@@H]1C(=O)Nc3c1ccc(C)c3C)C2 ZINC000065407876 210992815 /nfs/dbraw/zinc/99/28/15/210992815.db2.gz JASZMNIBSURVAA-HNNXBMFYSA-N 0 0 382.420 1.755 10 0 GDAERN CCn1ccc(C(=O)N2CCc3nc(CNC(=O)C4CCC4)n(CC)c3C2)n1 ZINC000065284610 210983932 /nfs/dbraw/zinc/98/39/32/210983932.db2.gz ZJKZSOSLKNYFBB-UHFFFAOYSA-N 0 0 384.484 1.734 10 0 GDAERN O=C(CSc1nc2[nH]cnc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1 ZINC000021807795 210394723 /nfs/dbraw/zinc/39/47/23/210394723.db2.gz HZRUAWSRCCSKGI-UHFFFAOYSA-N 0 0 388.428 1.639 10 0 GDAERN CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)Nc3nccs3)CC2)CC1=O ZINC000020354467 210328948 /nfs/dbraw/zinc/32/89/48/210328948.db2.gz CKSFOMQPBXJOMP-CYBMUJFWSA-N 0 0 378.498 1.967 10 0 GDAERN CN(C(=O)CCn1nnnc1CN1CCOCC1)[C@@H]1CCCc2ccccc21 ZINC000020452206 210335761 /nfs/dbraw/zinc/33/57/61/210335761.db2.gz MQSYAVGXBXRYKA-GOSISDBHSA-N 0 0 384.484 1.431 10 0 GDAERN COCCNc1nc2nonc2nc1N1CCN(CCOc2ccccc2)CC1 ZINC000019794502 210298098 /nfs/dbraw/zinc/29/80/98/210298098.db2.gz WVKZEEGBXCKMAC-UHFFFAOYSA-N 0 0 399.455 1.272 10 0 GDAERN CC(=O)O[C@H]1[C@@H](C)O[C@@H](Sc2ccccn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004179131 570361595 /nfs/dbraw/zinc/36/15/95/570361595.db2.gz XBKOQNIEZLQWIR-UAQFGPKRSA-N 0 0 383.422 1.714 10 0 GDAERN C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000004933557 570374309 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530706855 /nfs/dbraw/zinc/70/68/55/530706855.db2.gz KUNXJZNJJJIAQW-NSHDSACASA-N 0 0 378.230 1.419 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177627748 530707158 /nfs/dbraw/zinc/70/71/58/530707158.db2.gz DVOWUMISRNHONT-VIFPVBQESA-N 0 0 382.193 1.249 10 0 GDAERN O=S(=O)(Cc1cc(Br)ccc1OC(F)F)C[C@@H](O)CO ZINC000177671529 530708209 /nfs/dbraw/zinc/70/82/09/530708209.db2.gz IFEGIAADINPDCT-VIFPVBQESA-N 0 0 375.187 1.319 10 0 GDAERN O=S(=O)(Cc1cc(Br)ccc1OC(F)F)C[C@H](O)CO ZINC000177671514 530708489 /nfs/dbraw/zinc/70/84/89/530708489.db2.gz IFEGIAADINPDCT-SECBINFHSA-N 0 0 375.187 1.319 10 0 GDAERN COc1ccsc1S(=O)(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178696463 530726147 /nfs/dbraw/zinc/72/61/47/530726147.db2.gz BODIOVQDSULOQF-OAHLLOKOSA-N 0 0 382.507 1.797 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Cl)cc1Br ZINC000179919993 530752999 /nfs/dbraw/zinc/75/29/99/530752999.db2.gz IBZFFICZSWKPRF-LLVKDONJSA-N 0 0 392.681 1.917 10 0 GDAERN 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CCn1cc(CN2CCCN(S(=O)(=O)c3ncn(C)c3Cl)CC2)cn1 ZINC000112707568 530883858 /nfs/dbraw/zinc/88/38/58/530883858.db2.gz PQQUIMPBASZXCT-UHFFFAOYSA-N 0 0 386.909 1.187 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)sc1Cl ZINC000188116421 530885848 /nfs/dbraw/zinc/88/58/48/530885848.db2.gz PSKFTKYWOGHKGO-LLVKDONJSA-N 0 0 398.959 1.899 10 0 GDAERN COc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1Br ZINC000113298925 530889071 /nfs/dbraw/zinc/88/90/71/530889071.db2.gz NLHFWQMKKWFQKI-VIFPVBQESA-N 0 0 387.259 1.343 10 0 GDAERN O=C(NCc1c(F)cc(Br)cc1F)C1=NN(CCO)C(=O)CC1 ZINC000188445919 530893745 /nfs/dbraw/zinc/89/37/45/530893745.db2.gz ZBENHGNMSIXRTA-UHFFFAOYSA-N 0 0 390.184 1.314 10 0 GDAERN CN(C)c1ncc(Br)cc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188491600 530895752 /nfs/dbraw/zinc/89/57/52/530895752.db2.gz KAUSTHQOGYDKSP-UHFFFAOYSA-N 0 0 381.274 1.651 10 0 GDAERN Cn1c(SCC(=O)N2CC(NC(=O)C3CC3)C2)nnc1-c1cccs1 ZINC000189426954 530913119 /nfs/dbraw/zinc/91/31/19/530913119.db2.gz XPEPSAXAKVTRNS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/96/02/37/530960237.db2.gz VBLLGQLTEWPPJX-VIFPVBQESA-N 0 0 390.665 1.488 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000190666722 530935258 /nfs/dbraw/zinc/93/52/58/530935258.db2.gz VDEQIWNAMJBBNW-SSDOTTSWSA-N 0 0 390.184 1.403 10 0 GDAERN COCC(=O)NC1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192230471 530964795 /nfs/dbraw/zinc/96/47/95/530964795.db2.gz SRAGNIOVGMQXLT-UHFFFAOYSA-N 0 0 397.678 1.238 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000191358717 530947509 /nfs/dbraw/zinc/94/75/09/530947509.db2.gz ZKPHMCLNHFIZMO-OCCSQVGLSA-N 0 0 395.301 1.948 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000121275407 530953317 /nfs/dbraw/zinc/95/33/17/530953317.db2.gz WKNIMMYBTJFPEC-ZDUSSCGKSA-N 0 0 382.258 1.823 10 0 GDAERN Cc1cc(NC(=O)C2CCN(C(=O)c3cc(Br)nn3C)CC2)no1 ZINC000191894909 530956797 /nfs/dbraw/zinc/95/67/97/530956797.db2.gz YPAIWDNTFFKRDI-UHFFFAOYSA-N 0 0 396.245 1.970 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3ncccc3Br)CC2)no1 ZINC000193219504 530981679 /nfs/dbraw/zinc/98/16/79/530981679.db2.gz AFMYVCHEMHJWQY-UHFFFAOYSA-N 0 0 380.246 1.884 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)sc1Br ZINC000122030908 530966082 /nfs/dbraw/zinc/96/60/82/530966082.db2.gz BMTJTJZQOBSTLX-LLVKDONJSA-N 0 0 395.344 1.914 10 0 GDAERN O=S(=O)(CCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)c1ccc(F)cc1 ZINC000192626267 530970870 /nfs/dbraw/zinc/97/08/70/530970870.db2.gz IAASKGLOMLLZJN-MRXNPFEDSA-N 0 0 390.502 1.099 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000193843119 530994398 /nfs/dbraw/zinc/99/43/98/530994398.db2.gz IWQYKFXEDAIWFW-IUODEOHRSA-N 0 0 386.279 1.624 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1cccc(Br)c1 ZINC000123637930 530986601 /nfs/dbraw/zinc/98/66/01/530986601.db2.gz DEBIUJBAPKMCSG-ZDUSSCGKSA-N 0 0 375.288 1.591 10 0 GDAERN O=C(c1ccoc1Br)N1CCN(c2ccc3nncn3n2)CC1 ZINC000193599471 530990469 /nfs/dbraw/zinc/99/04/69/530990469.db2.gz 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/nfs/dbraw/zinc/00/21/95/531002195.db2.gz HYHPHXBWJQGIAU-ZBFHGGJFSA-N 0 0 392.253 1.877 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1Br ZINC000246165100 531064306 /nfs/dbraw/zinc/06/43/06/531064306.db2.gz MDLQZHIXCUPJNX-GHMZBOCLSA-N 0 0 396.328 1.954 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)CO1 ZINC000246166398 531064356 /nfs/dbraw/zinc/06/43/56/531064356.db2.gz DZDXLJBHPYWFPA-XQQFMLRXSA-N 0 0 375.441 1.487 10 0 GDAERN CC1(C)[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)[C@@H]2CCO[C@H]21 ZINC000246303659 531066059 /nfs/dbraw/zinc/06/60/59/531066059.db2.gz HFLTXFXIUKPAHT-ZEGGKSINSA-N 0 0 376.837 1.670 10 0 GDAERN CN1CCO[C@@H](CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000246525675 531067109 /nfs/dbraw/zinc/06/71/09/531067109.db2.gz WECGAJLDAMGSRF-XJKSGUPXSA-N 0 0 398.301 1.863 10 0 GDAERN C[C@@H](C[S@@](=O)Cc1nc(-c2ccc(F)c(F)c2)no1)CS(C)(=O)=O ZINC000129353434 531049983 /nfs/dbraw/zinc/04/99/83/531049983.db2.gz AKUDSKGAMRHFJT-KLVQOETNSA-N 0 0 378.422 1.944 10 0 GDAERN Cn1cc([C@]2(C)CN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CCO2)cn1 ZINC000129510253 531051968 /nfs/dbraw/zinc/05/19/68/531051968.db2.gz AQVPGKODAIBHPA-HNNXBMFYSA-N 0 0 375.372 1.774 10 0 GDAERN O[C@@H](CN1CCOCC1)CN1CCO[C@H](c2ccccc2Br)C1 ZINC000245199126 531056895 /nfs/dbraw/zinc/05/68/95/531056895.db2.gz AHLKCJFXBWHIDU-YOEHRIQHSA-N 0 0 385.302 1.516 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245532236 531057532 /nfs/dbraw/zinc/05/75/32/531057532.db2.gz HXSSRAHYACNSGB-CHWSQXEVSA-N 0 0 397.324 1.747 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245533544 531058652 /nfs/dbraw/zinc/05/86/52/531058652.db2.gz JBIXOUFUCXVCLW-DVOMOZLQSA-N 0 0 387.933 1.919 10 0 GDAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000247522114 531075133 /nfs/dbraw/zinc/07/51/33/531075133.db2.gz WWBAZUBHZAYXNI-JSGCOSHPSA-N 0 0 378.523 1.684 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000249155595 531084360 /nfs/dbraw/zinc/08/43/60/531084360.db2.gz IFJZSCWMGJFSBQ-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)[C@@H](C)CO1 ZINC000246701910 531069790 /nfs/dbraw/zinc/06/97/90/531069790.db2.gz MYFTYXZKMGGOHI-IQDSPRDJSA-N 0 0 376.425 1.427 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000247165670 531073054 /nfs/dbraw/zinc/07/30/54/531073054.db2.gz QRSHTXAGQFBNPF-JCQPUDPBSA-N 0 0 376.475 1.706 10 0 GDAERN O=C(CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)NCc1ccc(Cl)s1 ZINC000135668191 531111453 /nfs/dbraw/zinc/11/14/53/531111453.db2.gz NEFIMIMXYKZEJP-CYBMUJFWSA-N 0 0 391.946 1.518 10 0 GDAERN COc1cc(-c2noc(C[S@](=O)C[C@@H](C)CS(C)(=O)=O)n2)ccc1C ZINC000137126813 531116679 /nfs/dbraw/zinc/11/66/79/531116679.db2.gz PXRIOFJGXMTNDV-JNDILOIQSA-N 0 0 386.495 1.983 10 0 GDAERN COc1cc(-c2noc(C[S@](=O)C[C@H](C)CS(C)(=O)=O)n2)ccc1C ZINC000137126886 531117584 /nfs/dbraw/zinc/11/75/84/531117584.db2.gz PXRIOFJGXMTNDV-BUBHHJDNSA-N 0 0 386.495 1.983 10 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Cc1cc(S(=O)(=O)NCCNc2nnnn2-c2ccccc2)c(C)s1 ZINC000301794014 532039407 /nfs/dbraw/zinc/03/94/07/532039407.db2.gz SDUMOUWOEKFZIW-UHFFFAOYSA-N 0 0 378.483 1.731 10 0 GDAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(I)ccc2O)C1 ZINC000311578572 532053890 /nfs/dbraw/zinc/05/38/90/532053890.db2.gz WKWHUJFKUSEMRD-UWVGGRQHSA-N 0 0 377.178 1.219 10 0 GDAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@@H]2C1 ZINC000285279696 532059512 /nfs/dbraw/zinc/05/95/12/532059512.db2.gz ZWCNZSWDAMMXHI-CHWSQXEVSA-N 0 0 388.873 1.205 10 0 GDAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000285274863 532059004 /nfs/dbraw/zinc/05/90/04/532059004.db2.gz ZOKAAINHCKZLJA-QWRGUYRKSA-N 0 0 378.903 1.802 10 0 GDAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1cc2c(cc1Cl)OCCO2 ZINC000328641846 532088847 /nfs/dbraw/zinc/08/88/47/532088847.db2.gz YCMVIEHWUCFKIN-NSHDSACASA-N 0 0 383.857 1.849 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc(I)cc2)C1 ZINC000285775120 532111850 /nfs/dbraw/zinc/11/18/50/532111850.db2.gz 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CN(CCNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333095413 532219687 /nfs/dbraw/zinc/21/96/87/532219687.db2.gz BQBUFQORDPLRAC-KOWPAETKSA-N 0 0 390.571 1.545 10 0 GDAERN Cc1ccc([C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)N2CCOCC2)s1 ZINC000333462391 532236499 /nfs/dbraw/zinc/23/64/99/532236499.db2.gz UWCSXMSOOCZDMM-IMJJTQAJSA-N 0 0 388.555 1.917 10 0 GDAERN O=C([O-])c1cn(Cc2ccccc2)c2nc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000096341911 209239858 /nfs/dbraw/zinc/23/98/58/209239858.db2.gz OMEINYNFCGFQDH-UHFFFAOYSA-N 0 0 382.395 1.692 10 0 GDAERN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O ZINC000001576662 209228380 /nfs/dbraw/zinc/22/83/80/209228380.db2.gz SZTWVDLUDLZHBU-MOPGFXCFSA-N 0 0 384.432 1.340 10 0 GDAERN COCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(N2CCc3ccccc3C2)n1 ZINC000045947755 209195836 /nfs/dbraw/zinc/19/58/36/209195836.db2.gz UPXSFXVFYUXZLN-UHFFFAOYSA-N 0 0 397.479 1.392 10 0 GDAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 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1.724 10 0 GDAERN CCN1CCN(C(=O)Cn2nc(C)n3c(cc4c3cccc4OC)c2=O)CC1 ZINC000020384607 210330385 /nfs/dbraw/zinc/33/03/85/210330385.db2.gz GIRIZFPHWDLOPW-UHFFFAOYSA-N 0 0 383.452 1.130 10 0 GDAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCn4nc(C)nc43)ccc21 ZINC000177003007 519633503 /nfs/dbraw/zinc/63/35/03/519633503.db2.gz JEYLJRKDCVDNPI-OAHLLOKOSA-N 0 0 375.454 1.309 10 0 GDAERN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225392741 560043774 /nfs/dbraw/zinc/04/37/74/560043774.db2.gz FURCKISBXBBQJD-WBVHZDCISA-N 0 0 389.883 1.108 10 0 biogenic GDAERN O=C1COC[C@H]([C@H](O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N1 ZINC000067896902 560050252 /nfs/dbraw/zinc/05/02/52/560050252.db2.gz FMTTZGDDWIDYSU-NVXWUHKLSA-N 0 0 380.397 1.175 10 0 GDAERN CCc1nn(CC(=O)NCc2ccccn2)c(=O)c2cc3c(cccc3OC)n21 ZINC000006749806 570282308 /nfs/dbraw/zinc/28/23/08/570282308.db2.gz MCYYNCXMRVXJQD-UHFFFAOYSA-N 0 0 391.431 1.932 10 0 GDAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc2C[C@@H]1C ZINC000176744573 570510267 /nfs/dbraw/zinc/51/02/67/570510267.db2.gz RFHDMADZPAPXRB-XHDPSFHLSA-N 0 0 375.454 1.389 10 0 GDAERN COc1ccccc1CNC(=O)CN1CCN(Cc2cccc(C)c2)C(=O)C1=O ZINC000064888825 570578728 /nfs/dbraw/zinc/57/87/28/570578728.db2.gz PPGFJDXITFMVQX-UHFFFAOYSA-N 0 0 395.459 1.491 10 0 GDAERN CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)C2)n1 ZINC000328613979 570588944 /nfs/dbraw/zinc/58/89/44/570588944.db2.gz UTZCAMQOTOTKQQ-KPZWWZAWSA-N 0 0 393.465 1.799 10 0 GDAERN CCOc1ccc(S(=O)(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)cn1 ZINC000275346854 570691848 /nfs/dbraw/zinc/69/18/48/570691848.db2.gz SPFIRRVZRAXGOP-INIZCTEOSA-N 0 0 380.426 1.023 10 0 GDAERN COc1ccc(CNC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)cc1OC ZINC000065313804 570796344 /nfs/dbraw/zinc/79/63/44/570796344.db2.gz RWPSHAXAZUBIRF-OAHLLOKOSA-N 0 0 386.452 1.330 10 0 GDAERN COCCN(C)c1cnn([C@@H]2CCCN(c3ncnc4c3CCCC4)C2)c(=O)c1 ZINC000583617455 570801321 /nfs/dbraw/zinc/80/13/21/570801321.db2.gz RRUCQPLIKDDGJX-MRXNPFEDSA-N 0 0 398.511 1.836 10 0 GDAERN CCCc1nnc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000103325268 644602198 /nfs/dbraw/zinc/60/21/98/644602198.db2.gz VNPQAJCQMZOUDK-SECBINFHSA-N 0 0 379.467 1.556 10 0 GDAERN CC[C@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1nccs1 ZINC000126069857 644718721 /nfs/dbraw/zinc/71/87/21/644718721.db2.gz KSWLEWUVVHLTCE-PWSUYJOCSA-N 0 0 378.479 1.838 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc(Br)cn1 ZINC000133251292 644753209 /nfs/dbraw/zinc/75/32/09/644753209.db2.gz ULBCMOVGCYNGEQ-VIFPVBQESA-N 0 0 377.264 1.382 10 0 GDAERN O=C(OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)[C@H]1CNC(=O)C1 ZINC000155260123 644810710 /nfs/dbraw/zinc/81/07/10/644810710.db2.gz LLRIACQFCLOAEK-GHMZBOCLSA-N 0 0 381.226 1.481 10 0 GDAERN COc1c(Br)cc(Br)cc1C=Nn1nnnc1N ZINC000250287068 645103872 /nfs/dbraw/zinc/10/38/72/645103872.db2.gz WBPXXNRNHTVCKA-UHFFFAOYSA-N 0 0 376.012 1.671 10 0 GDAERN O=S1(=O)CC[C@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Cl)C[C@H]21 ZINC000329208240 645302470 /nfs/dbraw/zinc/30/24/70/645302470.db2.gz YPDRHQXSZDFHGI-JVLSTEMRSA-N 0 0 380.293 1.852 10 0 GDAERN CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC[C@H]1CCCCN1C(C)=O ZINC000330194757 645347111 /nfs/dbraw/zinc/34/71/11/645347111.db2.gz ZEARTDRHSSPMPE-CVEARBPZSA-N 0 0 394.559 1.006 10 0 GDAERN CN1C[C@H](CNC(=O)c2cccc(F)c2I)CC1=O ZINC000598260500 652469245 /nfs/dbraw/zinc/46/92/45/652469245.db2.gz BIABYYJEABTJNB-QMMMGPOBSA-N 0 0 376.169 1.638 10 0 GDAERN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 ZINC000702761656 654832435 /nfs/dbraw/zinc/83/24/35/654832435.db2.gz BWHPYVNREUEIAX-OLZOCXBDSA-N 0 0 390.527 1.871 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000892354855 658320840 /nfs/dbraw/zinc/32/08/40/658320840.db2.gz JTHGHSNPCRXKNC-QWRGUYRKSA-N 0 0 387.278 1.307 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCc3c(ncn(C)c3=O)C2)n1 ZINC000893881571 658472202 /nfs/dbraw/zinc/47/22/02/658472202.db2.gz DIAOCOLRJNICKB-UHFFFAOYSA-N 0 0 394.229 1.072 10 0 GDAERN CN(C)C(=O)COC[C@H]1CN(Cc2nc(Br)c[nH]2)CC(C)(C)O1 ZINC000894312232 658537429 /nfs/dbraw/zinc/53/74/29/658537429.db2.gz HATPDIFJIVYCQH-LLVKDONJSA-N 0 0 389.294 1.256 10 0 GDAERN O=C(NC[C@H]1CCc2nccn2C1)c1nscc1I ZINC000907560845 659783989 /nfs/dbraw/zinc/78/39/89/659783989.db2.gz QLDHOABKZVTLOD-MRVPVSSYSA-N 0 0 388.234 1.937 10 0 GDAERN O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000689230820 954648472 /nfs/dbraw/zinc/64/84/72/954648472.db2.gz CQAMULQIPVYTSP-IRXDYDNUSA-N 0 0 381.498 1.282 10 0 GDAERN C[C@]12CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702121563 954895634 /nfs/dbraw/zinc/89/56/34/954895634.db2.gz FFCYFMXUCFRRQZ-AOIWGVFYSA-N 0 0 393.509 1.234 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC000718071507 955155126 /nfs/dbraw/zinc/15/51/26/955155126.db2.gz MNQQYSAAWMLLEQ-DLBZAZTESA-N 0 0 381.498 1.280 10 0 GDAERN C[C@@]12CN(C(=O)NCCSCC(=O)[O-])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702106866 977064268 /nfs/dbraw/zinc/06/42/68/977064268.db2.gz WVJUQIAIBGPGDV-QFBILLFUSA-N 0 0 377.510 1.968 10 0 GDAERN C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(N)cc(=O)[nH]3)c2C(N)=O)C1 ZINC000018177783 210214598 /nfs/dbraw/zinc/21/45/98/210214598.db2.gz FMSYBXVEYDLJCE-SSDOTTSWSA-N 0 0 393.494 1.368 10 0 GDAERN Cn1cnc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1Cl ZINC000158464681 530533549 /nfs/dbraw/zinc/53/35/49/530533549.db2.gz CNNWXCXZNIRLNF-BXKDBHETSA-N 0 0 377.800 1.848 10 0 GDAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000158895432 530536698 /nfs/dbraw/zinc/53/66/98/530536698.db2.gz DZQRUJZMUMNLPZ-JTQLQIEISA-N 0 0 377.253 1.675 10 0 GDAERN C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@@H]1CCCO1 ZINC000027861991 530589767 /nfs/dbraw/zinc/58/97/67/530589767.db2.gz HNNAHGPWLOPJMS-PELKAZGASA-N 0 0 377.260 1.394 10 0 GDAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000170894103 530590818 /nfs/dbraw/zinc/59/08/18/530590818.db2.gz VPSWOWSPOFLOOS-NSHDSACASA-N 0 0 387.299 1.773 10 0 GDAERN CN1CCO[C@H](CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000170924330 530591920 /nfs/dbraw/zinc/59/19/20/530591920.db2.gz VVEARHIWFXRCJQ-CQSZACIVSA-N 0 0 399.289 1.408 10 0 GDAERN CCS(=O)(=O)C[C@@H](C)N(C)C[C@H](O)COc1cccc(Br)c1 ZINC000172000207 530606767 /nfs/dbraw/zinc/60/67/67/530606767.db2.gz RKQVAVHYDJPRTA-OCCSQVGLSA-N 0 0 394.331 1.944 10 0 GDAERN C[C@@H]1[C@H](C)N(C(=O)C2CCN(C(=O)c3cccs3)CC2)CCS1(=O)=O ZINC000172404184 530613247 /nfs/dbraw/zinc/61/32/47/530613247.db2.gz LUOGRMFKXGQWOP-QWHCGFSZSA-N 0 0 384.523 1.634 10 0 GDAERN O=C(Nc1ccccc1Br)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173351050 530628456 /nfs/dbraw/zinc/62/84/56/530628456.db2.gz GMENHXZXFNGTBD-LBPRGKRZSA-N 0 0 382.258 1.321 10 0 GDAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173688568 530634683 /nfs/dbraw/zinc/63/46/83/530634683.db2.gz WSFWETLYSMJWKT-LLVKDONJSA-N 0 0 396.220 1.982 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCO2)[nH]1 ZINC000173736209 530635667 /nfs/dbraw/zinc/63/56/67/530635667.db2.gz LFGNVFFAAWVKLZ-LLVKDONJSA-N 0 0 376.360 1.894 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCO2)[nH]1 ZINC000173736195 530635807 /nfs/dbraw/zinc/63/58/07/530635807.db2.gz LFGNVFFAAWVKLZ-NSHDSACASA-N 0 0 376.360 1.894 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3c(Cl)nc4ccccn43)CCO2)[nH]1 ZINC000173838336 530638601 /nfs/dbraw/zinc/63/86/01/530638601.db2.gz UUGNKWWRMLMOMT-JTQLQIEISA-N 0 0 382.833 1.176 10 0 GDAERN Brc1ccc(-c2nnc(CN3CC[C@@H](N4CCOCC4)C3)o2)o1 ZINC000173903839 530640231 /nfs/dbraw/zinc/64/02/31/530640231.db2.gz KPXIZBRHTDAMSD-LLVKDONJSA-N 0 0 383.246 1.999 10 0 GDAERN O=C(COc1ccc(Br)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000172761974 530618027 /nfs/dbraw/zinc/61/80/27/530618027.db2.gz SOZYVTDIHOIFEA-ZDUSSCGKSA-N 0 0 387.249 1.900 10 0 GDAERN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041109960 530620363 /nfs/dbraw/zinc/62/03/63/530620363.db2.gz RAONEFHCYLDGQU-UONOGXRCSA-N 0 0 389.495 1.431 10 0 GDAERN CCN1CCN(CC(=O)N[C@@H](C)c2ccccc2Br)C(=O)C1=O ZINC000045765969 530645781 /nfs/dbraw/zinc/64/57/81/530645781.db2.gz JTJNNFLUBRVUPS-NSHDSACASA-N 0 0 382.258 1.317 10 0 GDAERN Cc1ccc([C@@H](CNS(=O)(=O)CCOC(C)C)N2CCOCC2)s1 ZINC000175216467 530660303 /nfs/dbraw/zinc/66/03/03/530660303.db2.gz LQXQBOMAZPWWSD-OAHLLOKOSA-N 0 0 376.544 1.774 10 0 GDAERN Cc1csc(N2CCN(C(=O)NC3CCC(S(C)(=O)=O)CC3)CC2)n1 ZINC000175496352 530666412 /nfs/dbraw/zinc/66/64/12/530666412.db2.gz RBSCLBLEKVMCEZ-UHFFFAOYSA-N 0 0 386.543 1.639 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000176016979 530675029 /nfs/dbraw/zinc/67/50/29/530675029.db2.gz KVEGKWDSEPNYHZ-LBPRGKRZSA-N 0 0 378.230 1.939 10 0 GDAERN O=C(Nc1ccc(Br)cc1F)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176105457 530677032 /nfs/dbraw/zinc/67/70/32/530677032.db2.gz QCAMDHMZVGLTLP-LLVKDONJSA-N 0 0 382.193 1.770 10 0 GDAERN CCNC(=O)N1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000176706520 530689309 /nfs/dbraw/zinc/68/93/09/530689309.db2.gz ZMCVXCZXUMYATQ-AWEZNQCLSA-N 0 0 386.290 1.536 10 0 GDAERN COC(=O)C[C@H](NC(=O)CCn1cncn1)c1cccc(Br)c1 ZINC000053413196 530692592 /nfs/dbraw/zinc/69/25/92/530692592.db2.gz KBNVCITZYIURDL-ZDUSSCGKSA-N 0 0 381.230 1.851 10 0 GDAERN C[C@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)[C@@H]1CCCO1 ZINC000055236336 530705967 /nfs/dbraw/zinc/70/59/67/530705967.db2.gz AEEPFGNSXYTLGW-GWCFXTLKSA-N 0 0 380.388 1.825 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)[C@H]1CCCO1 ZINC000055236370 530706021 /nfs/dbraw/zinc/70/60/21/530706021.db2.gz AEEPFGNSXYTLGW-ZWNOBZJWSA-N 0 0 380.388 1.825 10 0 GDAERN O=C(N[C@H]1CCCn2ncnc21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000177603012 530706399 /nfs/dbraw/zinc/70/63/99/530706399.db2.gz LXLXLVVTNDCPGP-NSHDSACASA-N 0 0 381.483 1.389 10 0 GDAERN O=S(=O)(Cc1ncc(-c2cccc(Br)c2)o1)C[C@H](O)CO ZINC000177673650 530708428 /nfs/dbraw/zinc/70/84/28/530708428.db2.gz RDSFHUAOEWGDJK-LLVKDONJSA-N 0 0 376.228 1.372 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000177729549 530709751 /nfs/dbraw/zinc/70/97/51/530709751.db2.gz AUQGYNLBVQCXGN-QMMMGPOBSA-N 0 0 392.268 1.940 10 0 GDAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(Cn2cc(Br)cn2)on1 ZINC000179235572 530737249 /nfs/dbraw/zinc/73/72/49/530737249.db2.gz SOCIOOWHLQMEMT-ZWNOBZJWSA-N 0 0 383.246 1.963 10 0 GDAERN C[C@H](CNC(=O)NCCOc1ccc(Br)cc1)N1CCOCC1 ZINC000062507923 530743125 /nfs/dbraw/zinc/74/31/25/530743125.db2.gz LCOAJVWCRWLWET-CYBMUJFWSA-N 0 0 386.290 1.848 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)CSCc3cscn3)C2=O)n(C)n1 ZINC000178560736 530723290 /nfs/dbraw/zinc/72/32/90/530723290.db2.gz KTHUKHCPEXXWBZ-ZDUSSCGKSA-N 0 0 379.511 1.730 10 0 GDAERN C[C@@H](CNC(=O)NCCOc1cccc(Br)c1)N1CCOCC1 ZINC000057364430 530725295 /nfs/dbraw/zinc/72/52/95/530725295.db2.gz KTKVGTXWUGJSIR-ZDUSSCGKSA-N 0 0 386.290 1.848 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cs1 ZINC000180142485 530759546 /nfs/dbraw/zinc/75/95/46/530759546.db2.gz FOFDJEQLNDSVQM-MFKMUULPSA-N 0 0 388.417 1.622 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000180199549 530759846 /nfs/dbraw/zinc/75/98/46/530759846.db2.gz JMTXHDXGFKSCEC-JTQLQIEISA-N 0 0 394.596 1.271 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000180251949 530761211 /nfs/dbraw/zinc/76/12/11/530761211.db2.gz QNGKYOSMCAAPJV-SWLSCSKDSA-N 0 0 396.285 1.567 10 0 GDAERN CCn1cc(S(=O)(=O)NC2CCC(C(=O)N3CCSCC3)CC2)cn1 ZINC000066917800 530769304 /nfs/dbraw/zinc/76/93/04/530769304.db2.gz SBEJWHMLUZBVBX-UHFFFAOYSA-N 0 0 386.543 1.316 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccnc1)N1CCC[C@H](c2nccs2)C1 ZINC000067047844 530771820 /nfs/dbraw/zinc/77/18/20/530771820.db2.gz MLNJNBIXTOGMOJ-ZDUSSCGKSA-N 0 0 380.495 1.613 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cc3c(c(Br)c2)OCO3)cn1 ZINC000181337591 530781552 /nfs/dbraw/zinc/78/15/52/530781552.db2.gz RIDOFPZADRGMAN-ZDUSSCGKSA-N 0 0 393.241 1.698 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)COc2ccc(Br)cc2F)cn1 ZINC000181356942 530782218 /nfs/dbraw/zinc/78/22/18/530782218.db2.gz ZMWYXVMIBKDJJO-AWEZNQCLSA-N 0 0 397.248 1.874 10 0 GDAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2nn(CC(C)C)cc2C(F)F)C1 ZINC000181477904 530784479 /nfs/dbraw/zinc/78/44/79/530784479.db2.gz GYTTYNWODRWBQS-NSHDSACASA-N 0 0 378.445 1.631 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000180452264 530766708 /nfs/dbraw/zinc/76/67/08/530766708.db2.gz LBJSIUDTIDXSET-CYBMUJFWSA-N 0 0 392.930 1.837 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(Br)n3)C2=O)n(C)n1 ZINC000180551088 530767990 /nfs/dbraw/zinc/76/79/90/530767990.db2.gz IPKLCOKBQXJVAH-GFCCVEGCSA-N 0 0 392.257 1.811 10 0 GDAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2cccc(Br)c2)cn1 ZINC000181690754 530789334 /nfs/dbraw/zinc/78/93/34/530789334.db2.gz VKRDYVYDQRTFEX-CQSZACIVSA-N 0 0 385.287 1.518 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000068898002 530792107 /nfs/dbraw/zinc/79/21/07/530792107.db2.gz HRFNBJBSFPWMNS-ZDUSSCGKSA-N 0 0 385.452 1.287 10 0 GDAERN COCCCCS(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000185032989 530835232 /nfs/dbraw/zinc/83/52/32/530835232.db2.gz YETLXVBXWICNMM-HNNXBMFYSA-N 0 0 376.544 1.810 10 0 GDAERN Cc1noc(CCNC(=O)NCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000101618342 530825856 /nfs/dbraw/zinc/82/58/56/530825856.db2.gz UYSPKEPOZVLHFO-UHFFFAOYSA-N 0 0 396.245 1.929 10 0 GDAERN O=C(NCC(F)(F)CO)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000186071998 530851023 /nfs/dbraw/zinc/85/10/23/530851023.db2.gz BGTVQRPPTBJMFZ-NSHDSACASA-N 0 0 396.843 1.485 10 0 GDAERN NC(=O)c1ccsc1NC(=O)CCN1CCN(c2cccs2)C(=O)C1 ZINC000186105218 530851697 /nfs/dbraw/zinc/85/16/97/530851697.db2.gz VXSVXIHTLCRQHT-UHFFFAOYSA-N 0 0 378.479 1.586 10 0 GDAERN Cc1nc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)sc1Br ZINC000186187575 530853134 /nfs/dbraw/zinc/85/31/34/530853134.db2.gz KVDGAAQBEBWHOO-UHFFFAOYSA-N 0 0 394.316 1.503 10 0 GDAERN C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1cccc(Br)c1 ZINC000186888928 530864861 /nfs/dbraw/zinc/86/48/61/530864861.db2.gz NKEWAKYIAGKJNT-VIFPVBQESA-N 0 0 384.255 1.983 10 0 GDAERN CCn1cnnc1[C@H]1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1 ZINC000109853848 530865185 /nfs/dbraw/zinc/86/51/85/530865185.db2.gz ZJWBAFSEGZMUTG-LBPRGKRZSA-N 0 0 394.273 1.628 10 0 GDAERN CCO[C@H]1C[C@@H](NC(=O)Cn2cc(Br)ccc2=O)C12CCOCC2 ZINC000187156263 530867771 /nfs/dbraw/zinc/86/77/71/530867771.db2.gz GJNLKHNRAZYWOL-KGLIPLIRSA-N 0 0 399.285 1.701 10 0 GDAERN COCC(=O)NC1CN(C(=O)CCSc2ccc(Br)cc2)C1 ZINC000185266629 530839341 /nfs/dbraw/zinc/83/93/41/530839341.db2.gz PTGODDUDXPMTSU-UHFFFAOYSA-N 0 0 387.299 1.905 10 0 GDAERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000104799006 530841022 /nfs/dbraw/zinc/84/10/22/530841022.db2.gz FIILCNXOLLZFOR-CQSZACIVSA-N 0 0 398.305 1.006 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H](O)Cc1ccccc1 ZINC000104907349 530841624 /nfs/dbraw/zinc/84/16/24/530841624.db2.gz NAOIIWBXNQFKEI-INIZCTEOSA-N 0 0 391.265 1.899 10 0 GDAERN NS(=O)(=O)c1ccc(CNC(=O)Cc2coc(-c3cccs3)n2)cc1 ZINC000106009478 530845218 /nfs/dbraw/zinc/84/52/18/530845218.db2.gz HYUTYBWQGZFQID-UHFFFAOYSA-N 0 0 377.447 1.909 10 0 GDAERN CNC(=O)C1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000106022698 530845982 /nfs/dbraw/zinc/84/59/82/530845982.db2.gz HYWSOWPFVBRXJL-UHFFFAOYSA-N 0 0 378.230 1.377 10 0 GDAERN O=C(c1cc(I)c[nH]1)N1CCCN(c2cccnn2)CC1 ZINC000115372055 530900009 /nfs/dbraw/zinc/90/00/09/530900009.db2.gz JNJDNKAEJRDAMK-UHFFFAOYSA-N 0 0 397.220 1.762 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000117351886 530911487 /nfs/dbraw/zinc/91/14/87/530911487.db2.gz ZMSKKOGMZODNCD-SECBINFHSA-N 0 0 375.313 1.527 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Br)c(C)cc1C)C(C)C ZINC000188139447 530886703 /nfs/dbraw/zinc/88/67/03/530886703.db2.gz XCTOKKLKRXCQBV-CYBMUJFWSA-N 0 0 384.274 1.891 10 0 GDAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC(n2cncn2)CC1 ZINC000113160750 530886846 /nfs/dbraw/zinc/88/68/46/530886846.db2.gz REEHXSSPAWWUJH-UHFFFAOYSA-N 0 0 379.262 1.979 10 0 GDAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 ZINC000113298270 530888311 /nfs/dbraw/zinc/88/83/11/530888311.db2.gz VAPRNYSEUXVLLF-GWJCSSMESA-N 0 0 383.271 1.946 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)N2CCCN(C)C(=O)C2)c1 ZINC000188221797 530889191 /nfs/dbraw/zinc/88/91/91/530889191.db2.gz JUOJXGQEHCTCLM-UHFFFAOYSA-N 0 0 377.260 1.311 10 0 GDAERN O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000113298904 530889248 /nfs/dbraw/zinc/88/92/48/530889248.db2.gz NMZXNNCNPAFIBJ-KTRBRXNASA-N 0 0 383.271 1.946 10 0 GDAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1ccncc1I ZINC000119885167 530933030 /nfs/dbraw/zinc/93/30/30/530933030.db2.gz PCRYEPNZVYUBBT-KWQFWETISA-N 0 0 390.177 1.089 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000119941714 530933980 /nfs/dbraw/zinc/93/39/80/530933980.db2.gz AHHLEDDVZKAFRN-SECBINFHSA-N 0 0 387.205 1.938 10 0 GDAERN COCCN1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1C ZINC000117425010 530912976 /nfs/dbraw/zinc/91/29/76/530912976.db2.gz HVPKOUULIDUDAI-ZDUSSCGKSA-N 0 0 398.301 1.358 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000189451351 530913243 /nfs/dbraw/zinc/91/32/43/530913243.db2.gz XWVFBSFWCOMZHV-ZDUSSCGKSA-N 0 0 398.301 1.611 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000189470097 530914120 /nfs/dbraw/zinc/91/41/20/530914120.db2.gz IKZHBZRFMOMITR-CQSZACIVSA-N 0 0 398.301 1.611 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2I)c1 ZINC000118133095 530916762 /nfs/dbraw/zinc/91/67/62/530916762.db2.gz ZBMDWMILGNQBNG-UHFFFAOYSA-N 0 0 398.204 1.551 10 0 GDAERN Cc1cc(N2CCN(C(=O)c3cc(Br)c(C)[nH]c3=O)CC2)n[nH]1 ZINC000189750409 530920039 /nfs/dbraw/zinc/92/00/39/530920039.db2.gz BZBXUZATWIYSJV-UHFFFAOYSA-N 0 0 380.246 1.852 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000121745063 530960753 /nfs/dbraw/zinc/96/07/53/530960753.db2.gz KMSXIPLOHYJODC-LBPRGKRZSA-N 0 0 380.246 1.090 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3cc(Br)nn3C)CC2)n1 ZINC000192114081 530962440 /nfs/dbraw/zinc/96/24/40/530962440.db2.gz IEOIORNMLKPKIB-UHFFFAOYSA-N 0 0 395.261 1.334 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000190669921 530934931 /nfs/dbraw/zinc/93/49/31/530934931.db2.gz HULJFCNPXAUCCS-SSDOTTSWSA-N 0 0 390.184 1.403 10 0 GDAERN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCN(C)C(=O)C1 ZINC000191123744 530944058 /nfs/dbraw/zinc/94/40/58/530944058.db2.gz RWBUMWNJMKNCMF-ZDUSSCGKSA-N 0 0 382.302 1.960 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000191508846 530949747 /nfs/dbraw/zinc/94/97/47/530949747.db2.gz SOQVBRQEFFREPP-CQSZACIVSA-N 0 0 380.242 1.149 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000121269012 530953824 /nfs/dbraw/zinc/95/38/24/530953824.db2.gz MCLSIZZILMJDSO-LLVKDONJSA-N 0 0 386.221 1.654 10 0 GDAERN CCCCOC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000193356944 530984811 /nfs/dbraw/zinc/98/48/11/530984811.db2.gz LRZNYRLNWNKNCS-INIZCTEOSA-N 0 0 390.933 1.824 10 0 GDAERN CC(C)c1csc(CNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000122102598 530966656 /nfs/dbraw/zinc/96/66/56/530966656.db2.gz QMMHIMZQUSZAAE-ZDUSSCGKSA-N 0 0 386.543 1.976 10 0 GDAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2sccc2Br)C[C@@H]1C ZINC000122334715 530969775 /nfs/dbraw/zinc/96/97/75/530969775.db2.gz DRXZDSMBSQFMRC-VHSXEESVSA-N 0 0 383.333 1.586 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000126353254 531017715 /nfs/dbraw/zinc/01/77/15/531017715.db2.gz JSMYDQIRQMSWSL-NXEZZACHSA-N 0 0 388.852 1.757 10 0 GDAERN Cc1csc([C@H]2CN(CC(=O)NC(=O)NCc3cccs3)CCO2)n1 ZINC000195389304 531022040 /nfs/dbraw/zinc/02/20/40/531022040.db2.gz KYSZGYSHDLOFHP-CYBMUJFWSA-N 0 0 380.495 1.912 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126817299 531022867 /nfs/dbraw/zinc/02/28/67/531022867.db2.gz SMKUSJCUNKRKHW-LBPRGKRZSA-N 0 0 380.246 1.141 10 0 GDAERN CCN(C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1)CC(F)(F)F ZINC000246136275 531063963 /nfs/dbraw/zinc/06/39/63/531063963.db2.gz FQJQZGDJSLJQCL-MCIONIFRSA-N 0 0 387.468 1.547 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1N1CCOCC1 ZINC000246521148 531067665 /nfs/dbraw/zinc/06/76/65/531067665.db2.gz OPAISJWGKVPISM-WDEREUQCSA-N 0 0 380.297 1.730 10 0 GDAERN C[C@H](Oc1ccccc1Br)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128064390 531037093 /nfs/dbraw/zinc/03/70/93/531037093.db2.gz NYTIHWTVPBOJIS-STQMWFEESA-N 0 0 387.274 1.026 10 0 GDAERN CN([C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000128440163 531041145 /nfs/dbraw/zinc/04/11/45/531041145.db2.gz WHOSDTPSKRZUKA-AWEZNQCLSA-N 0 0 381.889 1.956 10 0 GDAERN C[C@@H](CS(C)(=O)=O)N(C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246547921 531067989 /nfs/dbraw/zinc/06/79/89/531067989.db2.gz COTVOVVFACAUMK-WCQYABFASA-N 0 0 380.304 1.554 10 0 GDAERN O=C1CN(C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000246562631 531068118 /nfs/dbraw/zinc/06/81/18/531068118.db2.gz KSJFVIVKYVJPDT-CWRNSKLLSA-N 0 0 383.286 1.932 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245533549 531058230 /nfs/dbraw/zinc/05/82/30/531058230.db2.gz JBIXOUFUCXVCLW-XJKCOSOUSA-N 0 0 387.933 1.919 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000245545714 531058687 /nfs/dbraw/zinc/05/86/87/531058687.db2.gz VRSZVJFCWLMOGN-ZIAGYGMSSA-N 0 0 377.304 1.496 10 0 GDAERN CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245735792 531060192 /nfs/dbraw/zinc/06/01/92/531060192.db2.gz ZTFJGVZQVVXQKC-GJZGRUSLSA-N 0 0 375.441 1.444 10 0 GDAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000245784113 531060498 /nfs/dbraw/zinc/06/04/98/531060498.db2.gz MOEPCEBSOFXGFT-HUUCEWRRSA-N 0 0 379.258 1.573 10 0 GDAERN CCn1cc(CN2CCCN(C(=O)NC[C@H]3CSCCS3)CC2)cn1 ZINC000132055925 531077569 /nfs/dbraw/zinc/07/75/69/531077569.db2.gz XCDXBDWLIWBWHA-INIZCTEOSA-N 0 0 383.587 1.969 10 0 GDAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248538939 531079467 /nfs/dbraw/zinc/07/94/67/531079467.db2.gz AHFFFFUZHDCGER-DDTOSNHZSA-N 0 0 376.222 1.884 10 0 GDAERN C[C@H](C(=O)Nc1ccc(I)cc1)N1C[C@@H](O)C[C@@H]1CO ZINC000249377446 531086152 /nfs/dbraw/zinc/08/61/52/531086152.db2.gz YXEPPGYAJQDEST-WQAKAFBOSA-N 0 0 390.221 1.046 10 0 GDAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000134702581 531102829 /nfs/dbraw/zinc/10/28/29/531102829.db2.gz ZLCXGGXGVIYCOF-NSHDSACASA-N 0 0 381.267 1.587 10 0 GDAERN CCN1CCO[C@H](CNC(=O)c2csc(I)c2)C1 ZINC000134688988 531102851 /nfs/dbraw/zinc/10/28/51/531102851.db2.gz YKVNXFYFFKJWJG-SNVBAGLBSA-N 0 0 380.251 1.803 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2I)C1 ZINC000137324046 531117479 /nfs/dbraw/zinc/11/74/79/531117479.db2.gz QLRODWQQYCSCDA-ZDUSSCGKSA-N 0 0 386.233 1.961 10 0 GDAERN O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000141497587 531122383 /nfs/dbraw/zinc/12/23/83/531122383.db2.gz BIARSXXBAVFUFL-CHWSQXEVSA-N 0 0 380.246 1.388 10 0 GDAERN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1CNC(=O)C1 ZINC000150884130 531130598 /nfs/dbraw/zinc/13/05/98/531130598.db2.gz VSQIPZNAIZINCH-LBPRGKRZSA-N 0 0 377.242 1.963 10 0 GDAERN C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CCOCC1 ZINC000151103573 531133485 /nfs/dbraw/zinc/13/34/85/531133485.db2.gz VCMPDFOWDSDIQT-GFCCVEGCSA-N 0 0 376.425 1.062 10 0 GDAERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1CCNS(C)(=O)=O ZINC000152444587 531151476 /nfs/dbraw/zinc/15/14/76/531151476.db2.gz GJUJNLRYRGLNGT-BXUZGUMPSA-N 0 0 377.304 1.760 10 0 GDAERN Cc1cnn(CCNC(=O)c2cc(Cn3cc(Br)cn3)on2)c1 ZINC000152456166 531152173 /nfs/dbraw/zinc/15/21/73/531152173.db2.gz KKPYOXRWWHIJNO-UHFFFAOYSA-N 0 0 379.218 1.617 10 0 GDAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2cncc(Br)c2)cn1 ZINC000153984843 531174912 /nfs/dbraw/zinc/17/49/12/531174912.db2.gz NNTJBABLAJBYPF-CYBMUJFWSA-N 0 0 378.230 1.880 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000154203532 531179504 /nfs/dbraw/zinc/17/95/04/531179504.db2.gz BNCMEMLNYUZBFD-QLJPJBMISA-N 0 0 390.864 1.894 10 0 GDAERN Cc1cc(S(=O)(=O)NCCNc2nc3ccccc3c(=O)[nH]2)c(C)s1 ZINC000154387708 531182768 /nfs/dbraw/zinc/18/27/68/531182768.db2.gz SFFJLJDRQSGEMQ-UHFFFAOYSA-N 0 0 378.479 1.992 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000154839523 531190246 /nfs/dbraw/zinc/19/02/46/531190246.db2.gz NYRBNJLACMGVNS-CQSZACIVSA-N 0 0 392.257 1.634 10 0 GDAERN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@H]1CCCC[C@@H]1O ZINC000155581749 531201672 /nfs/dbraw/zinc/20/16/72/531201672.db2.gz LWDHEQZHCLCSEI-FZMZJTMJSA-N 0 0 397.269 1.842 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156219933 531204367 /nfs/dbraw/zinc/20/43/67/531204367.db2.gz YMVQZWGEROVNPC-NSHDSACASA-N 0 0 381.234 1.704 10 0 GDAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000408016837 531210989 /nfs/dbraw/zinc/21/09/89/531210989.db2.gz NQPGABXIOQUMEA-RYUDHWBXSA-N 0 0 380.388 1.679 10 0 GDAERN O=C([C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(Cl)cc1F)N1CCOCC1 ZINC000408028238 531211905 /nfs/dbraw/zinc/21/19/05/531211905.db2.gz RKLQBZVYQKZNFV-YPMHNXCESA-N 0 0 394.827 1.439 10 0 GDAERN CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cs1 ZINC000408054637 531214224 /nfs/dbraw/zinc/21/42/24/531214224.db2.gz TZEBGXQBXFQSFI-BXUZGUMPSA-N 0 0 382.507 1.767 10 0 GDAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408032202 531212979 /nfs/dbraw/zinc/21/29/79/531212979.db2.gz STEBQQFMQVNJAS-QGZVFWFLSA-N 0 0 386.901 1.786 10 0 GDAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000408031690 531213068 /nfs/dbraw/zinc/21/30/68/531213068.db2.gz XBXOXVHULVCILH-INIZCTEOSA-N 0 0 390.864 1.617 10 0 GDAERN C[C@H]1OCCN(C(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)[C@@H]1C(N)=O ZINC000408059469 531215942 /nfs/dbraw/zinc/21/59/42/531215942.db2.gz CLTNQMPJNZYKJB-TVLOEYKUSA-N 0 0 393.281 1.754 10 0 GDAERN Cc1cc(N2CC[S@](=O)[C@H](C)C2)nc([C@H](C)N2CC[S@@](=O)[C@@H](C)C2)n1 ZINC000408178327 531224117 /nfs/dbraw/zinc/22/41/17/531224117.db2.gz XBZKMRXLZVQSAS-ZBEBWNEOSA-N 0 0 384.571 1.256 10 0 GDAERN CNS(=O)(=O)NC1CCN(Cc2cc(C)c(Br)s2)CC1 ZINC000408226633 531226956 /nfs/dbraw/zinc/22/69/56/531226956.db2.gz RLMQYLOLJUMFCO-UHFFFAOYSA-N 0 0 382.349 1.837 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000408337108 531233994 /nfs/dbraw/zinc/23/39/94/531233994.db2.gz SRWVJQACTJPPBK-WMLDXEAASA-N 0 0 387.523 1.796 10 0 GDAERN CS[C@H]1CCCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000408405332 531238208 /nfs/dbraw/zinc/23/82/08/531238208.db2.gz QONTVCMQJGRAOB-ZDUSSCGKSA-N 0 0 387.527 1.393 10 0 GDAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000270700372 531911312 /nfs/dbraw/zinc/91/13/12/531911312.db2.gz XXCFXAANYJZYIV-SWLSCSKDSA-N 0 0 387.889 1.533 10 0 GDAERN C[C@@H](N1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1)C(F)(F)F ZINC000368353824 531904904 /nfs/dbraw/zinc/90/49/04/531904904.db2.gz DHUMGXFISUJEHV-JHJVBQTASA-N 0 0 385.452 1.620 10 0 GDAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@@H]2C1 ZINC000284356277 531951704 /nfs/dbraw/zinc/95/17/04/531951704.db2.gz AXJPWRXXEAORBJ-TZMCWYRMSA-N 0 0 380.388 1.521 10 0 GDAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000284986160 532015108 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GDAERN O[C@@H]1CO[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H]1O ZINC000056960437 209212361 /nfs/dbraw/zinc/21/23/61/209212361.db2.gz LXVCKAHHHVVOJV-YAUNCSCZSA-N 0 0 378.606 1.402 10 0 GDAERN COC(=O)c1ccccc1N(CC(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000057486374 212060525 /nfs/dbraw/zinc/06/05/25/212060525.db2.gz DZRNDCVDRNDJCG-UHFFFAOYSA-N 0 0 391.401 1.851 10 0 GDAERN O=S(=O)(Cc1noc([C@@H]2C[C@@H](O)CN2CC2CC2)n1)c1ccc(F)cc1 ZINC000015674004 211710727 /nfs/dbraw/zinc/71/07/27/211710727.db2.gz IAZBQCZETXQCGF-HIFRSBDPSA-N 0 0 381.429 1.700 10 0 biogenic GDAERN O=C(Cc1ccccc1)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 ZINC000096087804 211300264 /nfs/dbraw/zinc/30/02/64/211300264.db2.gz JOVZKJLXPBZGKL-IRXDYDNUSA-N 0 0 386.473 1.960 10 0 GDAERN CN(CCCNS(=O)(=O)c1cc2n(c1)CCCNC2=O)c1ccccc1 ZINC000065258706 210981106 /nfs/dbraw/zinc/98/11/06/210981106.db2.gz NWDLDOVVIJICBZ-UHFFFAOYSA-N 0 0 376.482 1.426 10 0 GDAERN CN(C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1)C(C1CC1)C1CC1 ZINC000020999477 210374777 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C[C@@H]1CN(Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C[C@@H](C(N)=O)O1 ZINC000120261317 644668588 /nfs/dbraw/zinc/66/85/88/644668588.db2.gz ZUJCHNKQRUVRQZ-MFKMUULPSA-N 0 0 381.889 1.804 10 0 GDAERN Cc1nn(CN2CCO[C@@H](c3nccs3)C2)c(=S)n1CC(=O)N(C)C ZINC000152218740 644787010 /nfs/dbraw/zinc/78/70/10/644787010.db2.gz ANHYLFYLRSVDBV-GFCCVEGCSA-N 0 0 382.515 1.298 10 0 GDAERN CNC(=O)[C@@H]1CN(Cc2ccc(Br)o2)C[C@H]1c1nc(COC)no1 ZINC000169791180 644869102 /nfs/dbraw/zinc/86/91/02/644869102.db2.gz RBOPUCWRJLLJBH-GHMZBOCLSA-N 0 0 399.245 1.533 10 0 GDAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000179919499 644939322 /nfs/dbraw/zinc/93/93/22/644939322.db2.gz LTUTUOFAQYCLDT-SECBINFHSA-N 0 0 386.948 1.568 10 0 GDAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000193821012 645055499 /nfs/dbraw/zinc/05/54/99/645055499.db2.gz BHSVDDVGJYTYNW-LLVKDONJSA-N 0 0 380.919 1.506 10 0 GDAERN C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)N1CCOC[C@H]1C ZINC000301437187 645235106 /nfs/dbraw/zinc/23/51/06/645235106.db2.gz MYGOXAJKRWOHMU-WDEREUQCSA-N 0 0 381.420 1.874 10 0 GDAERN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000328954629 645291277 /nfs/dbraw/zinc/29/12/77/645291277.db2.gz YMBJRQUBYFVEMF-CJNGLKHVSA-N 0 0 388.511 1.317 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)N(S(C)(=O)=O)C1 ZINC000329831961 645331587 /nfs/dbraw/zinc/33/15/87/645331587.db2.gz FUPDFGADKOOKRW-BEAPCOKYSA-N 0 0 388.511 1.085 10 0 GDAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329845968 645332384 /nfs/dbraw/zinc/33/23/84/645332384.db2.gz QNKJAJFKMFHJPU-ZLKJLUDKSA-N 0 0 385.873 1.584 10 0 GDAERN O=S(=O)(NC1CCC(N2CCCS2(=O)=O)CC1)c1cncc(Cl)c1 ZINC000360777846 645575123 /nfs/dbraw/zinc/57/51/23/645575123.db2.gz QDTFXTPRMSBBDM-UHFFFAOYSA-N 0 0 393.918 1.360 10 0 GDAERN CCCN(CCC)S(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702859474 654833072 /nfs/dbraw/zinc/83/30/72/654833072.db2.gz KYJDUWNGTPZCBN-KGLIPLIRSA-N 0 0 379.523 1.171 10 0 GDAERN Cn1cc(NC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)c(Br)n1 ZINC000827778509 655516156 /nfs/dbraw/zinc/51/61/56/655516156.db2.gz BRZTUPPQIXESCU-SNVBAGLBSA-N 0 0 389.250 1.757 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH]nc1I ZINC000896943869 658814694 /nfs/dbraw/zinc/81/46/94/658814694.db2.gz CFTVZAIYDLWHOZ-MRVPVSSYSA-N 0 0 386.197 1.433 10 0 GDAERN O=C(Cc1cccc(I)c1)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909171971 659941556 /nfs/dbraw/zinc/94/15/56/659941556.db2.gz FUWKSYZFHNRGNX-NFAWXSAZSA-N 0 0 397.216 1.521 10 0 GDAERN CC(C)(C)n1ncc(C(=O)N2CCOC[C@@H]2CO)c1I ZINC000912415460 660036355 /nfs/dbraw/zinc/03/63/55/660036355.db2.gz IWKBZXHQSHGEMY-VIFPVBQESA-N 0 0 393.225 1.076 10 0 GDAERN CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)CN1CSCCSC1 ZINC000912531195 660041219 /nfs/dbraw/zinc/04/12/19/660041219.db2.gz VNWKWKUKGLJJNX-LRDDRELGSA-N 0 0 383.543 1.036 10 0 GDAERN COC[C@]1(C(=O)[O-])CN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000711512976 955042608 /nfs/dbraw/zinc/04/26/08/955042608.db2.gz IHQJZGYMDAGHSA-BEFAXECRSA-N 0 0 379.457 1.019 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000708518141 977431137 /nfs/dbraw/zinc/43/11/37/977431137.db2.gz WJMZGEBDPIPPIA-GXTWGEPZSA-N 0 0 378.454 1.154 10 0 GDAERN O=C([O-])c1nc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000721427561 978105304 /nfs/dbraw/zinc/10/53/04/978105304.db2.gz QVYHRCNULOGOOO-HOTGVXAUSA-N 0 0 387.461 1.957 10 0 GDAERN O=C1CSc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2N1 ZINC000015677250 210161842 /nfs/dbraw/zinc/16/18/42/210161842.db2.gz PJEAVVJZPNYHMO-UHFFFAOYSA-N 0 0 391.478 1.032 10 0 GDAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000163911423 530577472 /nfs/dbraw/zinc/57/74/72/530577472.db2.gz MIUDSNRPTGHSAI-XCBNKYQSSA-N 0 0 375.244 1.316 10 0 GDAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000163911505 530577876 /nfs/dbraw/zinc/57/78/76/530577876.db2.gz MIUDSNRPTGHSAI-XVKPBYJWSA-N 0 0 375.244 1.316 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171432320 530599114 /nfs/dbraw/zinc/59/91/14/530599114.db2.gz WKMNXGSOFWKZFY-HNNXBMFYSA-N 0 0 383.495 1.658 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000172172641 530608999 /nfs/dbraw/zinc/60/89/99/530608999.db2.gz DYAGQJPWPDMPAN-NSHDSACASA-N 0 0 383.499 1.089 10 0 GDAERN COc1ccc(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)cc1Br ZINC000173096170 530623086 /nfs/dbraw/zinc/62/30/86/530623086.db2.gz IUSYQCMOJFDOQJ-MNOVXSKESA-N 0 0 393.303 1.901 10 0 GDAERN CN(Cc1csc(CS(C)(=O)=O)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173670772 530634845 /nfs/dbraw/zinc/63/48/45/530634845.db2.gz GJUAMTIIWNTEDX-CQSZACIVSA-N 0 0 381.527 1.579 10 0 GDAERN CN(Cc1csc(CS(C)(=O)=O)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000173670785 530635034 /nfs/dbraw/zinc/63/50/34/530635034.db2.gz GJUAMTIIWNTEDX-AWEZNQCLSA-N 0 0 381.527 1.579 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000173836664 530638302 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COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000248833435 531082769 /nfs/dbraw/zinc/08/27/69/531082769.db2.gz LSBRFGQCAAPIEV-LOWVWBTDSA-N 0 0 383.857 1.950 10 0 GDAERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000249103046 531084543 /nfs/dbraw/zinc/08/45/43/531084543.db2.gz OIVQZHWPQMHILS-JUDXGUMMSA-N 0 0 397.269 1.770 10 0 GDAERN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H]1CO ZINC000133396054 531091466 /nfs/dbraw/zinc/09/14/66/531091466.db2.gz MWRHJPSMVHXSKT-HIFRSBDPSA-N 0 0 386.901 1.724 10 0 GDAERN Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134704901 531103221 /nfs/dbraw/zinc/10/32/21/531103221.db2.gz WLTJBTVKRJZABS-AWEZNQCLSA-N 0 0 376.475 1.323 10 0 GDAERN O=S(=O)(c1cc(F)c(F)cc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134706845 531103260 /nfs/dbraw/zinc/10/32/60/531103260.db2.gz HEWBGVVYWANXQM-JTQLQIEISA-N 0 0 398.428 1.293 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)c2ccc(I)cc2)C[C@@H]1C ZINC000246889377 531070713 /nfs/dbraw/zinc/07/07/13/531070713.db2.gz XCXJXSRBDKVIJU-RYUDHWBXSA-N 0 0 388.249 1.818 10 0 GDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000154206961 531179178 /nfs/dbraw/zinc/17/91/78/531179178.db2.gz WRWAUSDIGYDAJU-HUUCEWRRSA-N 0 0 386.901 1.788 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000154203652 531179242 /nfs/dbraw/zinc/17/92/42/531179242.db2.gz BNCMEMLNYUZBFD-HWPZZCPQSA-N 0 0 390.864 1.894 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CCN1C[C@@H](C)O ZINC000154375528 531182704 /nfs/dbraw/zinc/18/27/04/531182704.db2.gz KWPHKFKLWYFLPS-BXUZGUMPSA-N 0 0 399.289 1.086 10 0 GDAERN C[C@@H]1CN([C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)c2cccs2)CCO1 ZINC000155015118 531193505 /nfs/dbraw/zinc/19/35/05/531193505.db2.gz SHIQHPLKBSUZJC-KGLIPLIRSA-N 0 0 388.555 1.839 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000156110549 531204058 /nfs/dbraw/zinc/20/40/58/531204058.db2.gz HUHNXBMALCFEEZ-JTQLQIEISA-N 0 0 390.665 1.488 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccccc1Cl ZINC000156200893 531204396 /nfs/dbraw/zinc/20/43/96/531204396.db2.gz GASXZWPUNGXBPC-RDJZCZTQSA-N 0 0 388.917 1.868 10 0 GDAERN CCn1ccnc1CS(=O)(=O)CC(=O)NCCOc1cccc(Cl)c1 ZINC000156261193 531204588 /nfs/dbraw/zinc/20/45/88/531204588.db2.gz KOIQHLDOAVXMJO-UHFFFAOYSA-N 0 0 385.873 1.666 10 0 GDAERN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c(F)c1 ZINC000408025013 531212104 /nfs/dbraw/zinc/21/21/04/531212104.db2.gz MMISDWXZUAPJKV-CYBMUJFWSA-N 0 0 391.490 1.056 10 0 GDAERN CC1(C)CN(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000408026480 531212368 /nfs/dbraw/zinc/21/23/68/531212368.db2.gz FFOSLRBAROXAJO-SWLSCSKDSA-N 0 0 376.425 1.428 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000408050408 531214507 /nfs/dbraw/zinc/21/45/07/531214507.db2.gz JIVAEDIKQCOMRG-INIZCTEOSA-N 0 0 399.289 1.183 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000408063089 531215969 /nfs/dbraw/zinc/21/59/69/531215969.db2.gz PBDGATONJSIZQM-CQSZACIVSA-N 0 0 388.205 1.052 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CO)c1 ZINC000408087721 531216494 /nfs/dbraw/zinc/21/64/94/531216494.db2.gz FTBSEEBPDZHMBJ-GXTWGEPZSA-N 0 0 375.512 1.488 10 0 GDAERN O=C(Nc1cc(F)c(F)cc1I)N1CCO[C@H](CO)C1 ZINC000408378263 531236083 /nfs/dbraw/zinc/23/60/83/531236083.db2.gz CNXLTIHNAXFSII-ZETCQYMHSA-N 0 0 398.147 1.794 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000267575909 531435948 /nfs/dbraw/zinc/43/59/48/531435948.db2.gz YAMVAGCSUIQXRK-FZMZJTMJSA-N 0 0 390.303 1.185 10 0 GDAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000270654903 531906949 /nfs/dbraw/zinc/90/69/49/531906949.db2.gz RSDQKTZEFOCKLQ-XPUUQOCRSA-N 0 0 376.232 1.074 10 0 GDAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000270684363 531909306 /nfs/dbraw/zinc/90/93/06/531909306.db2.gz UBYMCRCGDKLSQV-SWLSCSKDSA-N 0 0 387.889 1.533 10 0 GDAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000270604925 531900095 /nfs/dbraw/zinc/90/00/95/531900095.db2.gz GNBVLFJUWLNLCG-IONNQARKSA-N 0 0 391.243 1.236 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000284766728 531989108 /nfs/dbraw/zinc/98/91/08/531989108.db2.gz PEYJPHWLAFATNH-SKDRFNHKSA-N 0 0 377.260 1.021 10 0 GDAERN Cc1cc(Br)cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000284834144 531996917 /nfs/dbraw/zinc/99/69/17/531996917.db2.gz WBEOHTRQQJRUOW-SKDRFNHKSA-N 0 0 377.260 1.021 10 0 GDAERN COC[C@H]1CN(S(=O)(=O)c2ccc(Br)cn2)CC(C)(C)O1 ZINC000284890729 532003777 /nfs/dbraw/zinc/00/37/77/532003777.db2.gz HBJGLZUAOMFMBI-LLVKDONJSA-N 0 0 379.276 1.659 10 0 GDAERN Cc1csc(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1I ZINC000284913926 532005124 /nfs/dbraw/zinc/00/51/24/532005124.db2.gz BHFAIKAHPNGELM-APPZFPTMSA-N 0 0 394.234 1.376 10 0 GDAERN CS(=O)(=O)Cc1ccc(F)cc1CNC1=NS(=O)(=O)c2ccccc21 ZINC000301606620 532037721 /nfs/dbraw/zinc/03/77/21/532037721.db2.gz YXVWITKQCMBOPY-UHFFFAOYSA-N 0 0 382.438 1.609 10 0 GDAERN COCCc1nsc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 ZINC000301574090 532036433 /nfs/dbraw/zinc/03/64/33/532036433.db2.gz LQQHPCRTPUKXSK-UHFFFAOYSA-N 0 0 386.474 1.377 10 0 GDAERN Brc1cc2c(cc1CN1CCO[C@@H](Cn3cncn3)C1)OCO2 ZINC000328642685 532088591 /nfs/dbraw/zinc/08/85/91/532088591.db2.gz DZLCQXBQYRZWNC-GFCCVEGCSA-N 0 0 381.230 1.670 10 0 GDAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000332735522 532207972 /nfs/dbraw/zinc/20/79/72/532207972.db2.gz VALCKPAHUQSZGF-IGCXYCKISA-N 0 0 377.238 1.574 10 0 GDAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000332775323 532209318 /nfs/dbraw/zinc/20/93/18/532209318.db2.gz DGWKNCRWAWFLIN-GDLCADMTSA-N 0 0 382.258 1.809 10 0 GDAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000332871413 532212286 /nfs/dbraw/zinc/21/22/86/532212286.db2.gz HWKVDTZVANVKET-LSDHHAIUSA-N 0 0 386.901 1.788 10 0 GDAERN O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000333442422 532235203 /nfs/dbraw/zinc/23/52/03/532235203.db2.gz PXHQIQCFSLWDBO-MLGOLLRUSA-N 0 0 375.487 1.947 10 0 GDAERN O=C(Nc1cc(N2CCOCC2)c(Br)cn1)N[C@@H]1CCCNC1=O ZINC000333173718 532223342 /nfs/dbraw/zinc/22/33/42/532223342.db2.gz KARBAPPEUKONFL-LLVKDONJSA-N 0 0 398.261 1.081 10 0 GDAERN C[C@H]1C[C@H](O)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000333657442 532243803 /nfs/dbraw/zinc/24/38/03/532243803.db2.gz LNTVBGCLQYDBDG-RYUDHWBXSA-N 0 0 399.289 1.915 10 0 GDAERN Cc1nnc([C@H]2CCN(C(=O)Nc3nnc4ccc(Br)cn43)C2)[nH]1 ZINC000333725478 532246420 /nfs/dbraw/zinc/24/64/20/532246420.db2.gz HBYUGXGLYSZZIS-VIFPVBQESA-N 0 0 391.233 1.940 10 0 GDAERN CC[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3n2)C[C@H](C)[S@@]1=O ZINC000333897788 532254579 /nfs/dbraw/zinc/25/45/79/532254579.db2.gz BBRVFNUXAXHHSK-JOWVRCJESA-N 0 0 385.287 1.863 10 0 GDAERN COc1c(N2CC[C@H]([NH3+])C2)c(F)c(N)c2c(=O)c(C(=O)[O-])cn(C3CC3)c12 ZINC000005423175 209593476 /nfs/dbraw/zinc/59/34/76/209593476.db2.gz LOXSBIALZBOYGQ-QMMMGPOBSA-N 0 0 376.388 1.302 10 0 GDAERN CCn1cc(S(=O)(=O)NCCCn2cc(Br)c(C)n2)c(C)n1 ZINC000002789485 209384766 /nfs/dbraw/zinc/38/47/66/209384766.db2.gz VHZKLBMIRSBRAG-UHFFFAOYSA-N 0 0 390.307 1.847 10 0 GDAERN NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CC[C@H](F)C1 ZINC000034603983 209246647 /nfs/dbraw/zinc/24/66/47/209246647.db2.gz ASOVTUUGFRTWOM-QMMMGPOBSA-N 0 0 390.234 1.762 10 0 GDAERN O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)s1)c1ccc(Cl)cc1 ZINC000013586788 209235312 /nfs/dbraw/zinc/23/53/12/209235312.db2.gz HRENJJAUOQBRJD-UHFFFAOYSA-N 0 0 399.925 1.925 10 0 GDAERN [NH3+]CCCC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000098092201 212076921 /nfs/dbraw/zinc/07/69/21/212076921.db2.gz FUEMHWCBWYXAOU-KURKYZTESA-N 0 0 387.480 1.403 10 0 GDAERN CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000098091702 212075932 /nfs/dbraw/zinc/07/59/32/212075932.db2.gz UIHAMDONOCRMPP-IRXDYDNUSA-N 0 0 391.445 1.485 10 0 GDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2ccccc2OC)cn1 ZINC000328625958 209147672 /nfs/dbraw/zinc/14/76/72/209147672.db2.gz LEZZMIGYWGKEIZ-INIZCTEOSA-N 0 0 377.466 1.452 10 0 GDAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2cccc3cccnc32)C1=O ZINC000328610960 209146022 /nfs/dbraw/zinc/14/60/22/209146022.db2.gz JSUUQTGSIHLIOB-MRXNPFEDSA-N 0 0 399.476 1.583 10 0 GDAERN COC(=O)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1 ZINC000098063887 211378796 /nfs/dbraw/zinc/37/87/96/211378796.db2.gz AXPNCCIZWQJZBU-SIXWZSSISA-N 0 0 381.432 1.891 10 0 GDAERN COc1cc(C[C@]2(O)CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O ZINC000100888019 211392385 /nfs/dbraw/zinc/39/23/85/211392385.db2.gz BVHIKUCXNBQDEM-XMCHAPAWSA-N 0 0 376.405 1.769 10 0 GDAERN CCN(C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000092099289 211216192 /nfs/dbraw/zinc/21/61/92/211216192.db2.gz LQMIFEUTQXXPRG-CQSZACIVSA-N 0 0 375.450 1.395 10 0 GDAERN C[C@H](Cc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000077292543 211129570 /nfs/dbraw/zinc/12/95/70/211129570.db2.gz HSYKNUPTHBBLQY-PIGZYNQJSA-N 0 0 383.422 1.534 10 0 in-vitro GDAERN CCc1nc2c(cnn2C)c(N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)n1 ZINC000072140418 211073439 /nfs/dbraw/zinc/07/34/39/211073439.db2.gz IAYSDWXCKHMXHJ-UHFFFAOYSA-N 0 0 394.435 1.503 10 0 GDAERN Cn1c(=O)[nH]c(N)c(N(Cc2ccccc2)C(=O)Cc2ccc(F)cc2)c1=O ZINC000045819929 210827385 /nfs/dbraw/zinc/82/73/85/210827385.db2.gz XZBCDULUQSKZHR-UHFFFAOYSA-N 0 0 382.395 1.571 10 0 GDAERN Cc1noc(C)c1C(=O)N[C@@H]1[C@@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@H]1O ZINC000072321810 210746808 /nfs/dbraw/zinc/74/68/08/210746808.db2.gz TZZFSLSVPBMYFD-YIKOMLBNSA-N 0 0 385.342 1.713 10 0 biogenic GDAERN CNS(=O)(=O)c1cc(C(=O)/N=c2/sccn2Cc2ccccc2)n(C)c1 ZINC000031088751 210561168 /nfs/dbraw/zinc/56/11/68/210561168.db2.gz XKADYTVIPIBXQP-HTXNQAPBSA-N 0 0 390.490 1.586 10 0 GDAERN O=S(=O)(c1ccc(-c2ccc(N3CCOCC3)nn2)s1)N1CCOCC1 ZINC000021727922 210391478 /nfs/dbraw/zinc/39/14/78/210391478.db2.gz BNLJJJDJHFQAMO-UHFFFAOYSA-N 0 0 396.494 1.063 10 0 GDAERN COc1cccc(N2C(=O)C(Cl)=C(N3CCN(c4ncccn4)CC3)C2=O)c1 ZINC000064527723 136156956 /nfs/dbraw/zinc/15/69/56/136156956.db2.gz PLEOVFTXTVSYCN-UHFFFAOYSA-N 0 0 399.838 1.631 10 0 GDAERN NC(=O)c1noc(CN2CCN(c3ccccc3-c3ccccc3)C(=O)C2)n1 ZINC000091625562 136176802 /nfs/dbraw/zinc/17/68/02/136176802.db2.gz ZTVNQGBKEFQEKH-UHFFFAOYSA-N 0 0 377.404 1.684 10 0 GDAERN Nc1ncnc2c1c(-c1ccc3ccccc3c1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000072106049 222205168 /nfs/dbraw/zinc/20/51/68/222205168.db2.gz ZDGHYAZTACNBCQ-QTQZEZTPSA-N 0 0 392.415 1.445 10 0 GDAERN CC(=O)N1CCc2c(ncn(CCOc3cccc(Br)c3)c2=O)C1 ZINC000275691454 519630070 /nfs/dbraw/zinc/63/00/70/519630070.db2.gz XACKOGXTVTWOFI-UHFFFAOYSA-N 0 0 392.253 1.989 10 0 GDAERN O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000022620395 570323950 /nfs/dbraw/zinc/32/39/50/570323950.db2.gz ACGAKPFVEOQELV-HNNXBMFYSA-N 0 0 384.436 1.546 10 0 GDAERN Cn1cnnc1SCC(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000219851901 570376470 /nfs/dbraw/zinc/37/64/70/570376470.db2.gz JKPWGHZRJXUWLL-KRWDZBQOSA-N 0 0 384.465 1.228 10 0 GDAERN O=S(=O)(c1c[nH]c2ncccc12)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000275289169 570689190 /nfs/dbraw/zinc/68/91/90/570689190.db2.gz LKBBLQTUUBOIFU-MRXNPFEDSA-N 0 0 375.410 1.106 10 0 GDAERN CC(=O)N1CCc2c(ncn(Cc3cc(Cl)c4c(c3)OCCO4)c2=O)C1 ZINC000275354785 570691159 /nfs/dbraw/zinc/69/11/59/570691159.db2.gz AIKMHXKRFCENSS-UHFFFAOYSA-N 0 0 375.812 1.621 10 0 GDAERN Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@H](CO)[C@H](c4ccsc4)C3)cc12 ZINC000188884080 570732080 /nfs/dbraw/zinc/73/20/80/570732080.db2.gz FZCIHEZBLGANRE-CJNGLKHVSA-N 0 0 392.506 1.735 10 0 GDAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249474728 570894678 /nfs/dbraw/zinc/89/46/78/570894678.db2.gz TYAHHBICUQCPTQ-YOEHRIQHSA-N 0 0 397.522 1.693 10 0 GDAERN COc1ccc(C(=O)N2CCc3nc(CNC(=O)C4CCC4)n(C)c3C2)cn1 ZINC000065284556 570941731 /nfs/dbraw/zinc/94/17/31/570941731.db2.gz XRJCESLKXQWELP-UHFFFAOYSA-N 0 0 383.452 1.439 10 0 GDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNc1cccc(Cl)c1 ZINC000030613682 644305430 /nfs/dbraw/zinc/30/54/30/644305430.db2.gz LYDMHDTXHBJBIZ-JTQLQIEISA-N 0 0 378.841 1.910 10 0 GDAERN COCCN1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C[C@H]1C ZINC000117322264 644650769 /nfs/dbraw/zinc/65/07/69/644650769.db2.gz RSZUPKOFTNRYQD-GFCCVEGCSA-N 0 0 396.285 1.588 10 0 GDAERN C[C@@H](NC(=O)c1cccnc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000133166520 644753361 /nfs/dbraw/zinc/75/33/61/644753361.db2.gz DFIDVHZQGHDVKL-SECBINFHSA-N 0 0 384.255 1.983 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000133649341 644755578 /nfs/dbraw/zinc/75/55/78/644755578.db2.gz GLUMFEWJZIJKLS-SNVBAGLBSA-N 0 0 386.836 1.628 10 0 GDAERN CCS(=O)(=O)CCN(C)C[C@@H](O)COc1cccc(Br)c1 ZINC000179121242 644930930 /nfs/dbraw/zinc/93/09/30/644930930.db2.gz NLQRMAHJKOZSCN-CYBMUJFWSA-N 0 0 380.304 1.555 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)C1 ZINC000182702738 644963379 /nfs/dbraw/zinc/96/33/79/644963379.db2.gz RHMLZQHOOVOGAX-NSHDSACASA-N 0 0 383.246 1.218 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000299501692 645229526 /nfs/dbraw/zinc/22/95/26/645229526.db2.gz KVMMKPQIMCRFCW-GFCCVEGCSA-N 0 0 383.242 1.913 10 0 GDAERN Cc1csc(N2CCN(c3nc(Cl)ccc3S(N)(=O)=O)C[C@@H]2C)n1 ZINC000892352429 658320160 /nfs/dbraw/zinc/32/01/60/658320160.db2.gz IBPAYCSSKKLPCO-JTQLQIEISA-N 0 0 387.918 1.862 10 0 GDAERN Cc1noc([C@@H]2COCCN2Cc2cn(C)nc2I)n1 ZINC000894471073 658566063 /nfs/dbraw/zinc/56/60/63/658566063.db2.gz ZRZWOCZZSTXDCF-JTQLQIEISA-N 0 0 389.197 1.290 10 0 GDAERN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000716177830 955128212 /nfs/dbraw/zinc/12/82/12/955128212.db2.gz NTNVBMCRPWRFSL-MAUKXSAKSA-N 0 0 395.525 1.528 10 0 GDAERN CN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000715539706 977766912 /nfs/dbraw/zinc/76/69/12/977766912.db2.gz IJFKMKXTRZGUHT-SJLPKXTDSA-N 0 0 375.469 1.782 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000158577468 530533799 /nfs/dbraw/zinc/53/37/99/530533799.db2.gz YTHCFPVBCALEAO-QQHRNGFRSA-N 0 0 376.425 1.427 10 0 GDAERN COc1ccc(Br)c(CC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000158820761 530536119 /nfs/dbraw/zinc/53/61/19/530536119.db2.gz OTSRZMUNIFFDDG-CQSZACIVSA-N 0 0 383.286 1.933 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162272497 530567219 /nfs/dbraw/zinc/56/72/19/530567219.db2.gz IVXMBMBXDVLNNT-JSGCOSHPSA-N 0 0 394.273 1.838 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000165215985 530580524 /nfs/dbraw/zinc/58/05/24/530580524.db2.gz VRSZSKWHCUQJDG-ZDUSSCGKSA-N 0 0 391.225 1.858 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000171285947 530597097 /nfs/dbraw/zinc/59/70/97/530597097.db2.gz XVRPEBAEZRVYJP-LBPRGKRZSA-N 0 0 379.258 1.900 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171432316 530598866 /nfs/dbraw/zinc/59/88/66/530598866.db2.gz WKMNXGSOFWKZFY-OAHLLOKOSA-N 0 0 383.495 1.658 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)s1 ZINC000171431801 530599242 /nfs/dbraw/zinc/59/92/42/530599242.db2.gz MCVOIUSQWZYKLF-HNNXBMFYSA-N 0 0 382.511 1.686 10 0 GDAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171778422 530603384 /nfs/dbraw/zinc/60/33/84/530603384.db2.gz ALFPPRDYDZTZQI-JTQLQIEISA-N 0 0 377.253 1.675 10 0 GDAERN C[C@H]([C@H](C)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1)S(C)(=O)=O ZINC000172005284 530606862 /nfs/dbraw/zinc/60/68/62/530606862.db2.gz YDVYPZMNMKVNSY-QWHCGFSZSA-N 0 0 386.539 1.880 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173192332 530625446 /nfs/dbraw/zinc/62/54/46/530625446.db2.gz IQWMQLUBFPVZOT-GFCCVEGCSA-N 0 0 379.251 1.830 10 0 GDAERN CN(c1cccnn1)C1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173567693 530633011 /nfs/dbraw/zinc/63/30/11/530633011.db2.gz NMPSHNIYMDNYSP-UHFFFAOYSA-N 0 0 392.257 1.668 10 0 GDAERN Cc1csc([C@@H]2CCCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000173640540 530634318 /nfs/dbraw/zinc/63/43/18/530634318.db2.gz VFHAGZCEBBDMDH-CYBMUJFWSA-N 0 0 386.543 1.765 10 0 GDAERN C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@@H]1N1CCOCC1 ZINC000173845852 530638486 /nfs/dbraw/zinc/63/84/86/530638486.db2.gz BMFJEWQXLYEIQL-MNOVXSKESA-N 0 0 394.465 1.537 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@@H]1N1CCOCC1 ZINC000173833881 530638701 /nfs/dbraw/zinc/63/87/01/530638701.db2.gz FCMQMHWPSGGALP-MFKMUULPSA-N 0 0 389.237 1.412 10 0 GDAERN CC(C)OCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000175222352 530661406 /nfs/dbraw/zinc/66/14/06/530661406.db2.gz CUXKHOBIJPCPQV-GJZGRUSLSA-N 0 0 376.544 1.854 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000175285575 530662987 /nfs/dbraw/zinc/66/29/87/530662987.db2.gz DVVDBVDRVIRKCN-SECBINFHSA-N 0 0 387.259 1.343 10 0 GDAERN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000175397365 530664763 /nfs/dbraw/zinc/66/47/63/530664763.db2.gz OIPPBVMSIOYEHG-LBPRGKRZSA-N 0 0 378.491 1.334 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)o1 ZINC000175430475 530665709 /nfs/dbraw/zinc/66/57/09/530665709.db2.gz XNPTVPZYPBKSQX-GFCCVEGCSA-N 0 0 395.257 1.968 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)NCc3nc(C(F)(F)F)cs3)CCO2)[nH]1 ZINC000175571052 530667576 /nfs/dbraw/zinc/66/75/76/530667576.db2.gz XKSQAZCRAXPWTP-MRVPVSSYSA-N 0 0 376.364 1.872 10 0 GDAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)C[C@@H](C)O1 ZINC000048722224 530670123 /nfs/dbraw/zinc/67/01/23/530670123.db2.gz VFCOPQIZUBRMPV-NXEZZACHSA-N 0 0 388.205 1.866 10 0 GDAERN CCc1nc(C2(NC(=O)CNS(=O)(=O)c3cccs3)CCCC2)no1 ZINC000175798549 530670614 /nfs/dbraw/zinc/67/06/14/530670614.db2.gz SPPKDKBHSJJCBZ-UHFFFAOYSA-N 0 0 384.483 1.558 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000175950636 530673963 /nfs/dbraw/zinc/67/39/63/530673963.db2.gz ACXAWZUJPBPRSU-JTQLQIEISA-N 0 0 380.242 1.351 10 0 GDAERN C[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)N1CCOCC1 ZINC000176073684 530676110 /nfs/dbraw/zinc/67/61/10/530676110.db2.gz XMXCWSSMXYYSFY-JTQLQIEISA-N 0 0 388.237 1.364 10 0 GDAERN O=C(c1occc1Br)N1CCN(c2ccc3nncn3n2)CC1 ZINC000176106757 530677099 /nfs/dbraw/zinc/67/70/99/530677099.db2.gz JZTQOOQNYJIQMQ-UHFFFAOYSA-N 0 0 377.202 1.442 10 0 GDAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177651439 530707511 /nfs/dbraw/zinc/70/75/11/530707511.db2.gz MXMLAMZCGULBMZ-AWEZNQCLSA-N 0 0 393.241 1.512 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177636129 530707740 /nfs/dbraw/zinc/70/77/40/530707740.db2.gz TVYIFDMJTPZLLG-SNVBAGLBSA-N 0 0 378.230 1.419 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000177702983 530709309 /nfs/dbraw/zinc/70/93/09/530709309.db2.gz CNFNXAAFJHHMGX-MRVPVSSYSA-N 0 0 376.410 1.909 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c[nH]c3nccc(Cl)c13)CC2 ZINC000179363014 530739362 /nfs/dbraw/zinc/73/93/62/530739362.db2.gz HEPNMZYQKOIPFT-VIFPVBQESA-N 0 0 380.861 1.664 10 0 GDAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1Br ZINC000179511409 530742847 /nfs/dbraw/zinc/74/28/47/530742847.db2.gz BYBCBZJITFFXFE-NSHDSACASA-N 0 0 399.270 1.709 10 0 GDAERN Cn1ccnc1CC1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000178621845 530723926 /nfs/dbraw/zinc/72/39/26/530723926.db2.gz LDASIMZNVODSRC-UHFFFAOYSA-N 0 0 379.258 1.966 10 0 GDAERN CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1C[C@@H](C)O ZINC000178814864 530728573 /nfs/dbraw/zinc/72/85/73/530728573.db2.gz VWIIIQHURAXIDE-MNOVXSKESA-N 0 0 382.313 1.854 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(OC)c1)C(C)C ZINC000178929872 530730993 /nfs/dbraw/zinc/73/09/93/530730993.db2.gz HKCJOICWVUKUSG-GFCCVEGCSA-N 0 0 379.276 1.507 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3cnn4cc(Br)cnc34)CCO2)[nH]1 ZINC000179648719 530746474 /nfs/dbraw/zinc/74/64/74/530746474.db2.gz HEIXTCBQZOWULA-LLVKDONJSA-N 0 0 392.217 1.132 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(Br)n1 ZINC000179719832 530748440 /nfs/dbraw/zinc/74/84/40/530748440.db2.gz QGHWRTZMQCFLAI-NSHDSACASA-N 0 0 392.257 1.841 10 0 GDAERN NC(=O)[C@H]1COCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000179740047 530749378 /nfs/dbraw/zinc/74/93/78/530749378.db2.gz PUJYWMBXJJUECK-GFCCVEGCSA-N 0 0 381.230 1.109 10 0 GDAERN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1)N1CCSCC1 ZINC000066936940 530769941 /nfs/dbraw/zinc/76/99/41/530769941.db2.gz YEORAERAYPCZDN-AWEZNQCLSA-N 0 0 376.450 1.693 10 0 GDAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H](C)C2 ZINC000181106460 530778460 /nfs/dbraw/zinc/77/84/60/530778460.db2.gz CCFWERVGFMYENQ-BONVTDFDSA-N 0 0 392.253 1.657 10 0 GDAERN CCN(C(=O)Nc1cc(Br)c(=O)n(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000181236051 530780311 /nfs/dbraw/zinc/78/03/11/530780311.db2.gz AAWSLCUISYLILA-JTQLQIEISA-N 0 0 392.275 1.189 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(OC)c(Br)n1 ZINC000181386644 530782428 /nfs/dbraw/zinc/78/24/28/530782428.db2.gz CZQJAEYRFHLHCK-SECBINFHSA-N 0 0 396.245 1.856 10 0 GDAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181693322 530789555 /nfs/dbraw/zinc/78/95/55/530789555.db2.gz KNQXSBFZFWBXGD-AWEZNQCLSA-N 0 0 399.314 1.826 10 0 GDAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000184865660 530833337 /nfs/dbraw/zinc/83/33/37/530833337.db2.gz KRWHVPFVLJVALT-PWSUYJOCSA-N 0 0 392.465 1.593 10 0 GDAERN O=S(=O)(c1sccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000111359830 530874379 /nfs/dbraw/zinc/87/43/79/530874379.db2.gz GVXMYRLJUUVVAY-SNVBAGLBSA-N 0 0 392.300 1.797 10 0 GDAERN C[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[C@H]1CCCO1 ZINC000186583094 530858139 /nfs/dbraw/zinc/85/81/39/530858139.db2.gz MSBJJGUPFQXDDH-NXEZZACHSA-N 0 0 379.408 1.956 10 0 GDAERN Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000186898405 530864455 /nfs/dbraw/zinc/86/44/55/530864455.db2.gz MGEBQHWKNRFGRN-CYBMUJFWSA-N 0 0 375.288 1.999 10 0 GDAERN C[S@@](=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000109920139 530865429 /nfs/dbraw/zinc/86/54/29/530865429.db2.gz XHZCFHSTKJQFAT-BZQUYTCOSA-N 0 0 378.519 1.974 10 0 GDAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000187212176 530868481 /nfs/dbraw/zinc/86/84/81/530868481.db2.gz XVUHKNYRWCSASJ-SECBINFHSA-N 0 0 396.220 1.558 10 0 GDAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC(NC(=O)COC)C1 ZINC000185253992 530838396 /nfs/dbraw/zinc/83/83/96/530838396.db2.gz ZJUDOGGNMWMWNF-CYBMUJFWSA-N 0 0 383.286 1.991 10 0 GDAERN COCC(=O)NC1CN(C(=O)CCCOc2cccc(Br)c2)C1 ZINC000185259116 530838827 /nfs/dbraw/zinc/83/88/27/530838827.db2.gz DDXUETJEHXQJOF-UHFFFAOYSA-N 0 0 385.258 1.582 10 0 GDAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCN(c2cccnn2)CC1 ZINC000104682459 530839618 /nfs/dbraw/zinc/83/96/18/530839618.db2.gz INTGFZYHJPIKOS-OAHLLOKOSA-N 0 0 376.258 1.588 10 0 GDAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000104864041 530840828 /nfs/dbraw/zinc/84/08/28/530840828.db2.gz LALINWFZSKRJJX-HNNXBMFYSA-N 0 0 386.901 1.437 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3nc(Br)cs3)CC2)cn1 ZINC000187491394 530874139 /nfs/dbraw/zinc/87/41/39/530874139.db2.gz RDRBTQVZKBWMIJ-UHFFFAOYSA-N 0 0 384.303 1.987 10 0 GDAERN CN(Cc1cccs1)C(=O)CS(=O)(=O)Cc1nc(-c2ccoc2)no1 ZINC000105716742 530844426 /nfs/dbraw/zinc/84/44/26/530844426.db2.gz HAEKKIAYOFGWJM-UHFFFAOYSA-N 0 0 381.435 1.965 10 0 GDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cn1 ZINC000116159666 530903118 /nfs/dbraw/zinc/90/31/18/530903118.db2.gz MTMWSHFIPUVVFQ-MRXNPFEDSA-N 0 0 383.495 1.491 10 0 GDAERN O=Cc1ccc(OCC(=O)N2CC(NC(=O)C3CCC3)C2)c(Br)c1 ZINC000189222150 530909613 /nfs/dbraw/zinc/90/96/13/530909613.db2.gz JZFLNGRGZQGZQT-UHFFFAOYSA-N 0 0 395.253 1.768 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976799 530881916 /nfs/dbraw/zinc/88/19/16/530881916.db2.gz ACTWJTLMMJUGED-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976391 530882110 /nfs/dbraw/zinc/88/21/10/530882110.db2.gz UMVVTXVVOLYICG-UHFFFAOYSA-N 0 0 384.205 1.264 10 0 GDAERN CCOc1ccc(S(=O)(=O)N2CCCN(C)C(=O)C2)cc1Br ZINC000188217936 530889360 /nfs/dbraw/zinc/88/93/60/530889360.db2.gz WMHQGQOLRZEEEH-UHFFFAOYSA-N 0 0 391.287 1.701 10 0 GDAERN Cc1cc(N2CCN(C(=O)C(=O)Nc3cncc(Br)c3)CC2)n[nH]1 ZINC000188343713 530892704 /nfs/dbraw/zinc/89/27/04/530892704.db2.gz RSAXGJOHFCDGFV-UHFFFAOYSA-N 0 0 393.245 1.163 10 0 GDAERN O=C(COc1ccc(Br)cc1F)NC[C@H]1CN(C2CC2)CCO1 ZINC000114854960 530896961 /nfs/dbraw/zinc/89/69/61/530896961.db2.gz JDYVBVRHMDPBBI-ZDUSSCGKSA-N 0 0 387.249 1.946 10 0 GDAERN CCN1CCN([C@H]2CCN(C(=O)c3c[nH]c(C)c(Br)c3=O)C2)CC1 ZINC000119673681 530929456 /nfs/dbraw/zinc/92/94/56/530929456.db2.gz CSUJZLGDYDWIPP-ZDUSSCGKSA-N 0 0 397.317 1.710 10 0 GDAERN O=C(c1cncc(Br)c1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119836509 530931674 /nfs/dbraw/zinc/93/16/74/530931674.db2.gz XVMNROIMICENNR-CYBMUJFWSA-N 0 0 388.287 1.484 10 0 GDAERN O=C(NC1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1)C1CC1 ZINC000189389394 530912194 /nfs/dbraw/zinc/91/21/94/530912194.db2.gz HHKNAVKJTAUQTE-UHFFFAOYSA-N 0 0 389.253 1.985 10 0 GDAERN COCCN1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C ZINC000117425007 530912716 /nfs/dbraw/zinc/91/27/16/530912716.db2.gz HVPKOUULIDUDAI-CYBMUJFWSA-N 0 0 398.301 1.358 10 0 GDAERN Cc1cnn(CCNC(=O)COc2ccc(I)cc2)c1 ZINC000117815727 530914000 /nfs/dbraw/zinc/91/40/00/530914000.db2.gz YABXQGBQHOELAW-UHFFFAOYSA-N 0 0 385.205 1.991 10 0 GDAERN O=C(NC1CN(C(=O)c2ccc(I)c(F)c2)C1)C1CC1 ZINC000189484583 530914118 /nfs/dbraw/zinc/91/41/18/530914118.db2.gz HSSPJROCZWNMJC-UHFFFAOYSA-N 0 0 388.180 1.781 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)c(Cl)n1 ZINC000189623648 530917889 /nfs/dbraw/zinc/91/78/89/530917889.db2.gz TYQNQZRGAQMMSO-UHFFFAOYSA-N 0 0 383.905 1.674 10 0 GDAERN CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1=O ZINC000189739402 530919803 /nfs/dbraw/zinc/91/98/03/530919803.db2.gz LCSMODFCAMGPTQ-UHFFFAOYSA-N 0 0 389.271 1.157 10 0 GDAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000119525071 530927259 /nfs/dbraw/zinc/92/72/59/530927259.db2.gz NOSQMARRTPJOEX-INIZCTEOSA-N 0 0 384.454 1.829 10 0 GDAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(Cn2cc(Br)cn2)on1 ZINC000120039409 530935122 /nfs/dbraw/zinc/93/51/22/530935122.db2.gz WUGURBIXAOQKES-NSHDSACASA-N 0 0 392.217 1.538 10 0 GDAERN CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120140498 530936062 /nfs/dbraw/zinc/93/60/62/530936062.db2.gz IRISIPZYFHENNV-LBPRGKRZSA-N 0 0 388.921 1.837 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c(C)cc1Br ZINC000190991742 530941132 /nfs/dbraw/zinc/94/11/32/530941132.db2.gz SIXITJNENJWQGU-LLVKDONJSA-N 0 0 375.288 1.965 10 0 GDAERN CN1CCCN(CC(=O)Nc2ccc(I)cc2)CC1=O ZINC000191082559 530943062 /nfs/dbraw/zinc/94/30/62/530943062.db2.gz XCSQVPBKEVPKDD-UHFFFAOYSA-N 0 0 387.221 1.394 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000121280669 530953831 /nfs/dbraw/zinc/95/38/31/530953831.db2.gz ANDPWPHCHLYGJL-LLVKDONJSA-N 0 0 386.221 1.654 10 0 GDAERN CC(C)(C)OC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000121448727 530956520 /nfs/dbraw/zinc/95/65/20/530956520.db2.gz DISKFXDZYRPFAQ-OAHLLOKOSA-N 0 0 390.933 1.822 10 0 GDAERN C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000122653216 530974327 /nfs/dbraw/zinc/97/43/27/530974327.db2.gz IPLIIJOWBJZNJJ-CJNGLKHVSA-N 0 0 385.302 1.437 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000192935079 530976395 /nfs/dbraw/zinc/97/63/95/530976395.db2.gz GMABFIVMIRLNIC-VIFPVBQESA-N 0 0 381.307 1.697 10 0 GDAERN CCN1CCO[C@H](CNS(=O)(=O)c2cc(Br)sc2C)C1 ZINC000123027024 530978762 /nfs/dbraw/zinc/97/87/62/530978762.db2.gz JYXKFRNSIIQYMI-SNVBAGLBSA-N 0 0 383.333 1.818 10 0 GDAERN COCCN(CCOC)S(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000193274105 530982625 /nfs/dbraw/zinc/98/26/25/530982625.db2.gz VJAHABWZONXPJT-GFCCVEGCSA-N 0 0 395.319 1.939 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000193322699 530984303 /nfs/dbraw/zinc/98/43/03/530984303.db2.gz GQNXIJSENXDHLS-UHFFFAOYSA-N 0 0 392.257 1.918 10 0 GDAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000122370121 530970706 /nfs/dbraw/zinc/97/07/06/530970706.db2.gz HQEBCPZYIKSABJ-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1cc(N2CCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)CC2)n[nH]1 ZINC000193854259 530994433 /nfs/dbraw/zinc/99/44/33/530994433.db2.gz IYMRYCMSRPTCOX-UHFFFAOYSA-N 0 0 378.351 1.785 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)ncc1Br ZINC000193479132 530987886 /nfs/dbraw/zinc/98/78/86/530987886.db2.gz SBCGUJLZVNIBBE-ZFWWWQNUSA-N 0 0 390.237 1.866 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000193534720 530988622 /nfs/dbraw/zinc/98/86/22/530988622.db2.gz MNNACFRKQCCLFX-PVXIVEMSSA-N 0 0 387.263 1.955 10 0 GDAERN CCc1nnc(CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)n1C ZINC000194675751 531008469 /nfs/dbraw/zinc/00/84/69/531008469.db2.gz YWFDCEXKVGRDGK-UHFFFAOYSA-N 0 0 380.499 1.687 10 0 GDAERN O=C([C@@H]1CNC(=O)C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000194769436 531010036 /nfs/dbraw/zinc/01/00/36/531010036.db2.gz OVBDRMIOIXTMIW-VIFPVBQESA-N 0 0 376.766 1.539 10 0 GDAERN O=C(c1cccnc1Br)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000125948996 531012092 /nfs/dbraw/zinc/01/20/92/531012092.db2.gz MIASWRMEVDBDJJ-LLVKDONJSA-N 0 0 388.287 1.484 10 0 GDAERN NS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000195363140 531021750 /nfs/dbraw/zinc/02/17/50/531021750.db2.gz IYSHERDAZLBJAE-CQSZACIVSA-N 0 0 380.495 1.956 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126817519 531022598 /nfs/dbraw/zinc/02/25/98/531022598.db2.gz SMKUSJCUNKRKHW-GFCCVEGCSA-N 0 0 380.246 1.141 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3cncc(I)c3)CCO2)[nH]1 ZINC000124944978 531001102 /nfs/dbraw/zinc/00/11/02/531001102.db2.gz XCCJTTMXWFLZNA-LLVKDONJSA-N 0 0 399.192 1.326 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)c2cccc(I)c2)C[C@H]1C ZINC000246681236 531068836 /nfs/dbraw/zinc/06/88/36/531068836.db2.gz ISKOGOLZGRCJTI-NEPJUHHUSA-N 0 0 388.249 1.818 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)F)C[C@H]1N1CCOCC1 ZINC000246524374 531067591 /nfs/dbraw/zinc/06/75/91/531067591.db2.gz OUIWWPXUGYJONV-QWHCGFSZSA-N 0 0 376.425 1.629 10 0 GDAERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000128439947 531041032 /nfs/dbraw/zinc/04/10/32/531041032.db2.gz WHOSDTPSKRZUKA-CQSZACIVSA-N 0 0 381.889 1.956 10 0 GDAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccs3)C2)c1 ZINC000128713920 531043960 /nfs/dbraw/zinc/04/39/60/531043960.db2.gz GNIAZCOAZHLCIA-KGLIPLIRSA-N 0 0 382.511 1.784 10 0 GDAERN Cc1ccc(N2CCCN(C(=O)c3cc(S(C)(=O)=O)cs3)CC2)nn1 ZINC000129444179 531051038 /nfs/dbraw/zinc/05/10/38/531051038.db2.gz KCLUSGPBUIGSLL-UHFFFAOYSA-N 0 0 380.495 1.603 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000129457492 531051748 /nfs/dbraw/zinc/05/17/48/531051748.db2.gz GDAALKYMIRGRQJ-SECBINFHSA-N 0 0 376.360 1.655 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245527290 531057596 /nfs/dbraw/zinc/05/75/96/531057596.db2.gz CRJYZNGBMOXJDK-CZUORRHYSA-N 0 0 387.933 1.873 10 0 GDAERN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(Br)nn2C)C[C@@H](C)O1 ZINC000248733444 531081737 /nfs/dbraw/zinc/08/17/37/531081737.db2.gz BHZZLJGYLFWGEC-JHJVBQTASA-N 0 0 385.306 1.896 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000132727229 531083607 /nfs/dbraw/zinc/08/36/07/531083607.db2.gz GLMRHDWNAPTDDM-HRCADAONSA-N 0 0 383.286 1.362 10 0 GDAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249509255 531087247 /nfs/dbraw/zinc/08/72/47/531087247.db2.gz MFQLOCLHZNUCFJ-AVGNSLFASA-N 0 0 376.400 1.693 10 0 GDAERN O=S(=O)(c1c(F)cccc1Cl)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000133108155 531087821 /nfs/dbraw/zinc/08/78/21/531087821.db2.gz BMBLXULWEBUXEJ-NSHDSACASA-N 0 0 396.893 1.668 10 0 GDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)CC2 ZINC000134130768 531097679 /nfs/dbraw/zinc/09/76/79/531097679.db2.gz CQVNCXZYOOQXLI-LBPRGKRZSA-N 0 0 394.273 1.457 10 0 GDAERN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000246749013 531069777 /nfs/dbraw/zinc/06/97/77/531069777.db2.gz ABWKMYVKNLITSK-NEPJUHHUSA-N 0 0 376.475 1.086 10 0 GDAERN NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246937000 531070893 /nfs/dbraw/zinc/07/08/93/531070893.db2.gz QOYRUJCOFDFSQL-IUODEOHRSA-N 0 0 397.248 1.712 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(Br)c1 ZINC000247174904 531072538 /nfs/dbraw/zinc/07/25/38/531072538.db2.gz RPWFCYXRMUMSRD-GHMZBOCLSA-N 0 0 396.328 1.954 10 0 GDAERN CC(C)[C@H](NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)C(N)=O ZINC000135307597 531107755 /nfs/dbraw/zinc/10/77/55/531107755.db2.gz PKKALUBAAPNVFP-LBPRGKRZSA-N 0 0 395.261 1.543 10 0 GDAERN O=C(NC1CCN(C(=O)c2cnccn2)CC1)c1ccc(Br)o1 ZINC000135575280 531110328 /nfs/dbraw/zinc/11/03/28/531110328.db2.gz NBVZFWDQKOMIHN-UHFFFAOYSA-N 0 0 379.214 1.867 10 0 GDAERN CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137348713 531118171 /nfs/dbraw/zinc/11/81/71/531118171.db2.gz MNZORQJYMBECPQ-SNVBAGLBSA-N 0 0 378.782 1.927 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2ncc(Br)cn2n1 ZINC000151152688 531133949 /nfs/dbraw/zinc/13/39/49/531133949.db2.gz LDLZQUMZNZMWNM-SECBINFHSA-N 0 0 391.233 1.306 10 0 GDAERN C[C@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)N1CCOCC1 ZINC000152074560 531146638 /nfs/dbraw/zinc/14/66/38/531146638.db2.gz UVUVTYCFSXMNMI-GFCCVEGCSA-N 0 0 394.273 1.480 10 0 GDAERN O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000154150616 531178682 /nfs/dbraw/zinc/17/86/82/531178682.db2.gz VDOPUQSBONJTRN-CQSZACIVSA-N 0 0 391.295 1.962 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000154365300 531182676 /nfs/dbraw/zinc/18/26/76/531182676.db2.gz YKVJCKALTRGWCB-NSHDSACASA-N 0 0 397.254 1.839 10 0 GDAERN CCc1cc(=O)n2nc(NCCN(C)S(=O)(=O)c3cccs3)sc2n1 ZINC000154379209 531183035 /nfs/dbraw/zinc/18/30/35/531183035.db2.gz XILNVQIUQQRNLT-UHFFFAOYSA-N 0 0 399.523 1.508 10 0 GDAERN CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000154334909 531182067 /nfs/dbraw/zinc/18/20/67/531182067.db2.gz QOEMHJOUKNIXTN-WCQYABFASA-N 0 0 384.479 1.978 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cncc(Br)c1 ZINC000155858158 531203256 /nfs/dbraw/zinc/20/32/56/531203256.db2.gz WQSZOXVPTIJHBT-GFCCVEGCSA-N 0 0 376.276 1.987 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000408054202 531214622 /nfs/dbraw/zinc/21/46/22/531214622.db2.gz KYEXUUONBXIPLN-QGZVFWFLSA-N 0 0 399.260 1.846 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccncc2I)C1 ZINC000408151595 531221732 /nfs/dbraw/zinc/22/17/32/531221732.db2.gz WOBRGRAUSQDULA-JTQLQIEISA-N 0 0 388.209 1.241 10 0 GDAERN C[C@@H]1[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1(F)F ZINC000408232669 531227122 /nfs/dbraw/zinc/22/71/22/531227122.db2.gz VQVFZRUNILYYBK-BXUZGUMPSA-N 0 0 376.400 1.950 10 0 GDAERN CO[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC[C@@H]1C ZINC000408258417 531229211 /nfs/dbraw/zinc/22/92/11/531229211.db2.gz WRTJNXCEPJMKLK-JSGCOSHPSA-N 0 0 388.511 1.266 10 0 GDAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408309813 531232023 /nfs/dbraw/zinc/23/20/23/531232023.db2.gz ZEORIAOJRPWGEU-JSGCOSHPSA-N 0 0 386.436 1.497 10 0 GDAERN CC(C)c1n[nH]c(C(=O)N2CCc3c(ncn(C)c3=O)C2)c1Br ZINC000408323718 531232801 /nfs/dbraw/zinc/23/28/01/531232801.db2.gz BLRPSXHJSJZDDO-UHFFFAOYSA-N 0 0 380.246 1.588 10 0 GDAERN O=C(c1n[nH]c2ccc(I)cc21)N1CC(O)(C2CC2)C1 ZINC000408322032 531233116 /nfs/dbraw/zinc/23/31/16/531233116.db2.gz RLVVUXPWELMKKY-UHFFFAOYSA-N 0 0 383.189 1.764 10 0 GDAERN COCCN1C(=O)C[C@](CC(=O)N(C)CC(C)C)(c2ccccc2F)C1=O ZINC000011970607 209896784 /nfs/dbraw/zinc/89/67/84/209896784.db2.gz UJIVWHLXGAGVNY-HXUWFJFHSA-N 0 0 378.444 1.973 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000611002539 531523038 /nfs/dbraw/zinc/52/30/38/531523038.db2.gz IDQOFWSLJPILNR-VIFPVBQESA-N 0 0 378.185 1.491 10 0 GDAERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000281391509 531613068 /nfs/dbraw/zinc/61/30/68/531613068.db2.gz VEOPFTLRUXUAND-GWCFXTLKSA-N 0 0 385.262 1.980 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000296182226 531665629 /nfs/dbraw/zinc/66/56/29/531665629.db2.gz VIIHGODVQWNAAK-UHFFFAOYSA-N 0 0 388.287 1.464 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCOC[C@@H]3c3nc[nH]n3)cc(Cl)c2O1 ZINC000283819371 531901023 /nfs/dbraw/zinc/90/10/23/531901023.db2.gz FAHITRIUEQOHCJ-NOZJJQNGSA-N 0 0 384.845 1.544 10 0 GDAERN Cc1nc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)sc1Br ZINC000284717208 531983891 /nfs/dbraw/zinc/98/38/91/531983891.db2.gz QZECTXNTTALVQJ-UWVGGRQHSA-N 0 0 396.332 1.308 10 0 GDAERN O=C(CSc1nnnn1CC(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000329460512 532104038 /nfs/dbraw/zinc/10/40/38/532104038.db2.gz RYAOOPUQFVJFFR-UHFFFAOYSA-N 0 0 375.380 1.457 10 0 GDAERN Brc1ccn2cc(-c3nc([C@H]4CN5CCN4CC5)no3)nc2c1 ZINC000329633077 532108599 /nfs/dbraw/zinc/10/85/99/532108599.db2.gz WZFNNQKYNUQRTK-GFCCVEGCSA-N 0 0 375.230 1.819 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCNC(=O)[C@H]2C)s1 ZINC000329896182 532110632 /nfs/dbraw/zinc/11/06/32/532110632.db2.gz CHUYBTYOSHXSNX-OLZOCXBDSA-N 0 0 385.511 1.787 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000286212619 532136768 /nfs/dbraw/zinc/13/67/68/532136768.db2.gz JPNQMZBFZUBAMZ-NEPJUHHUSA-N 0 0 396.241 1.458 10 0 GDAERN O=C(NC[C@H]1CCCCS1(=O)=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000332868837 532212382 /nfs/dbraw/zinc/21/23/82/532212382.db2.gz MSCQZYUFYMGLGB-TZMCWYRMSA-N 0 0 386.495 1.172 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000333003133 532214547 /nfs/dbraw/zinc/21/45/47/532214547.db2.gz WOMCEPBENXKNES-LZWOXQAQSA-N 0 0 376.544 1.362 10 0 GDAERN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CCCc2cc(F)ccc21 ZINC000333442418 532235177 /nfs/dbraw/zinc/23/51/77/532235177.db2.gz PXHQIQCFSLWDBO-LRDDRELGSA-N 0 0 375.487 1.947 10 0 GDAERN CN(C)c1cc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)ncc1Br ZINC000333656609 532244010 /nfs/dbraw/zinc/24/40/10/532244010.db2.gz LLGZYQGXELZOMI-VIFPVBQESA-N 0 0 383.250 1.151 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)N(S(C)(=O)=O)C1 ZINC000333501545 532239245 /nfs/dbraw/zinc/23/92/45/532239245.db2.gz CQINEOUKLOHAIN-SCDSUCTJSA-N 0 0 388.873 1.503 10 0 GDAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3c(C)nn(C)c3Cl)O2)n1 ZINC000275395436 532292897 /nfs/dbraw/zinc/29/28/97/532292897.db2.gz ZYIFKFYCYYDZOA-ZJUUUORDSA-N 0 0 375.838 1.272 10 0 GDAERN NC(=O)c1cc(-c2csc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)n2)c[nH]1 ZINC000045144244 209195460 /nfs/dbraw/zinc/19/54/60/209195460.db2.gz LTMKWPABXTZDLS-NSHDSACASA-N 0 0 397.464 1.882 10 0 GDAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCCn4nc(C)nc43)cc2C[C@@H]1C ZINC000097013019 211970434 /nfs/dbraw/zinc/97/04/34/211970434.db2.gz NNMUFGWKIYHVSO-ZBEGNZNMSA-N 0 0 389.481 1.697 10 0 GDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cn1 ZINC000328618274 209149410 /nfs/dbraw/zinc/14/94/10/209149410.db2.gz DNGWUMPEVYXUIR-ZACQAIPSSA-N 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570529513 /nfs/dbraw/zinc/52/95/13/570529513.db2.gz DBOKBGKHKJXFMB-SFHVURJKSA-N 0 0 390.465 1.091 10 0 GDAERN COCCNC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988814 570632344 /nfs/dbraw/zinc/63/23/44/570632344.db2.gz PGEDNVUHDGALHS-UHFFFAOYSA-N 0 0 378.448 1.884 10 0 GDAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCCn4nc(C)nc43)cc21 ZINC000177005596 570725082 /nfs/dbraw/zinc/72/50/82/570725082.db2.gz GJVXFULQTOUWQY-INIZCTEOSA-N 0 0 389.481 1.699 10 0 GDAERN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3cccc(OC)c3)C1)C(=O)N2 ZINC000065249012 570747996 /nfs/dbraw/zinc/74/79/96/570747996.db2.gz BQLYTSPQDZPUBE-LJQANCHMSA-N 0 0 388.445 1.988 10 0 GDAERN CN1CCO[C@@H]2CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)C[C@H]21 ZINC000565377457 650794134 /nfs/dbraw/zinc/79/41/34/650794134.db2.gz GQXIUMSQTQVKBA-ZIAGYGMSSA-N 0 0 389.283 1.882 10 0 GDAERN CN(CCS(C)(=O)=O)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000102777143 644599952 /nfs/dbraw/zinc/59/99/52/644599952.db2.gz GIFDEOOYMDCVJA-SOFGYWHQSA-N 0 0 382.301 1.726 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(CCOC)[C@@H](C)C2)c1 ZINC000118345857 644652887 /nfs/dbraw/zinc/65/28/87/644652887.db2.gz RHVXNLJMKMJRBM-ZDUSSCGKSA-N 0 0 388.917 1.926 10 0 GDAERN COCCN1CCN(Cn2nc(Br)c(=O)c3ccccc32)C[C@H]1C ZINC000124174918 644704285 /nfs/dbraw/zinc/70/42/85/644704285.db2.gz VLUVQOIYIGWXFW-CYBMUJFWSA-N 0 0 395.301 1.769 10 0 GDAERN S=c1n(CN2CC[C@H](N3CCOCC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000172961649 644886086 /nfs/dbraw/zinc/88/60/86/644886086.db2.gz PUNQBXFWYFTEJZ-HNNXBMFYSA-N 0 0 380.905 1.816 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000184743690 644979420 /nfs/dbraw/zinc/97/94/20/644979420.db2.gz RINMNFPQILILKQ-UHFFFAOYSA-N 0 0 392.953 1.510 10 0 GDAERN O=C(OCc1nc(Cc2ccccc2Br)n[nH]1)[C@@H]1CNC(=O)C1 ZINC000185382654 644985737 /nfs/dbraw/zinc/98/57/37/644985737.db2.gz JLABTCXXACVGTB-JTQLQIEISA-N 0 0 379.214 1.337 10 0 GDAERN O=C(NC1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1)C1CC1 ZINC000187930865 645001819 /nfs/dbraw/zinc/00/18/19/645001819.db2.gz ZGOAFADAWFQWRF-VOTSOKGWSA-N 0 0 385.283 1.960 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000193057256 645045567 /nfs/dbraw/zinc/04/55/67/645045567.db2.gz UNEULCNHLBOOOB-WQVCFCJDSA-N 0 0 397.269 1.331 10 0 GDAERN CC(C)(C)[C@@H](O)CCNC(=O)c1cnc(-n2cnnc2)c(Br)c1 ZINC000223069197 645074189 /nfs/dbraw/zinc/07/41/89/645074189.db2.gz BCQCGSBOVDRKFD-LBPRGKRZSA-N 0 0 382.262 1.952 10 0 GDAERN O=C(N[C@H](CO)Cc1ccccc1)c1nn2c(c1Br)OCCC2 ZINC000223789468 645074366 /nfs/dbraw/zinc/07/43/66/645074366.db2.gz LHRUPNBJDOMERH-LBPRGKRZSA-N 0 0 380.242 1.762 10 0 GDAERN O=C(c1cc(Cl)ccc1I)N1CCOC[C@H]1CO ZINC000236515591 645080478 /nfs/dbraw/zinc/08/04/78/645080478.db2.gz GGVBTTIXTKXDND-SECBINFHSA-N 0 0 381.597 1.778 10 0 GDAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)n1 ZINC000328611114 645271948 /nfs/dbraw/zinc/27/19/48/645271948.db2.gz KMDQBWGUESMARO-CQSZACIVSA-N 0 0 375.809 1.594 10 0 GDAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C[C@@H]21 ZINC000328870965 645284230 /nfs/dbraw/zinc/28/42/30/645284230.db2.gz IFDCSQUJGWCQTN-STQMWFEESA-N 0 0 388.873 1.205 10 0 GDAERN O=C(c1sccc1S(=O)(=O)N1CCSCC1)N1CCn2ccnc2C1 ZINC000329331098 645307364 /nfs/dbraw/zinc/30/73/64/645307364.db2.gz ZIIJZAKFBJCTSZ-UHFFFAOYSA-N 0 0 398.535 1.338 10 0 GDAERN CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C12CCCC2 ZINC000329582373 645317526 /nfs/dbraw/zinc/31/75/26/645317526.db2.gz LLCCWUFLLAHDCG-ARFHVFGLSA-N 0 0 393.571 1.811 10 0 GDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(I)c(Cl)c1 ZINC000600588916 652546495 /nfs/dbraw/zinc/54/64/95/652546495.db2.gz GDAJKDNHJNWDKL-QWRGUYRKSA-N 0 0 381.597 1.824 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000702858031 654833033 /nfs/dbraw/zinc/83/30/33/654833033.db2.gz FDQVLHFKOINJRH-UWVGGRQHSA-N 0 0 396.918 1.908 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(Br)c[nH]2)C1 ZINC000702814965 654833120 /nfs/dbraw/zinc/83/31/20/654833120.db2.gz NUSDSMOVKMJRIS-JOYOIKCWSA-N 0 0 388.262 1.735 10 0 GDAERN COC(=O)c1cc(Br)c(N2CCO[C@H](Cn3cncn3)C2)nc1C ZINC000892380457 658322752 /nfs/dbraw/zinc/32/27/52/658322752.db2.gz YHVWYZJLWCZVLY-NSHDSACASA-N 0 0 396.245 1.436 10 0 GDAERN CC(C)(C)c1csc([C@H]2CN(C(=O)C3CN(S(C)(=O)=O)C3)CCO2)n1 ZINC000908041068 659859596 /nfs/dbraw/zinc/85/95/96/659859596.db2.gz DIXHIHNZZGNBDK-GFCCVEGCSA-N 0 0 387.527 1.232 10 0 GDAERN O=C(c1nscc1I)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000910469980 659972307 /nfs/dbraw/zinc/97/23/07/659972307.db2.gz PHFPGEXTZNUUNX-DJLDLDEBSA-N 0 0 378.235 1.981 10 0 GDAERN C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000717562569 955143224 /nfs/dbraw/zinc/14/32/24/955143224.db2.gz FEJZUHREYIWDGB-SFHVURJKSA-N 0 0 395.525 1.624 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689250942 968893555 /nfs/dbraw/zinc/89/35/55/968893555.db2.gz QTUAIFOVXZBLST-UAGQMJEPSA-N 0 0 381.498 1.280 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000704129688 977214872 /nfs/dbraw/zinc/21/48/72/977214872.db2.gz AZJDPNGCVZJZTE-YLJYHZDGSA-N 0 0 375.469 1.926 10 0 GDAERN CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1 ZINC000225400934 222675388 /nfs/dbraw/zinc/67/53/88/222675388.db2.gz QXVMNDSETJSESV-CYBMUJFWSA-N 0 0 380.404 1.943 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)[C@H](C)CO1 ZINC000158452120 530533244 /nfs/dbraw/zinc/53/32/44/530533244.db2.gz MYFTYXZKMGGOHI-QQHRNGFRSA-N 0 0 376.425 1.427 10 0 GDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000171225158 530596496 /nfs/dbraw/zinc/59/64/96/530596496.db2.gz OQTRRPJQMFOSMP-IUCAKERBSA-N 0 0 379.219 1.821 10 0 GDAERN O=C(NCCOc1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000171869054 530605025 /nfs/dbraw/zinc/60/50/25/530605025.db2.gz OZTSKSMPWDATAK-GFCCVEGCSA-N 0 0 380.246 1.734 10 0 GDAERN Cc1cnn(CCNS(=O)(=O)c2ccc(I)cc2)c1 ZINC000172209513 530609769 /nfs/dbraw/zinc/60/97/69/530609769.db2.gz PCMLZROBDVMXLN-UHFFFAOYSA-N 0 0 391.234 1.775 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041602063 530622781 /nfs/dbraw/zinc/62/27/81/530622781.db2.gz GQEQINNJLDYOSS-GFCCVEGCSA-N 0 0 384.274 1.533 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)[C@H](C)CO1 ZINC000173155686 530624946 /nfs/dbraw/zinc/62/49/46/530624946.db2.gz UBWTZDTWVXYHMX-GHMZBOCLSA-N 0 0 386.861 1.834 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000041917021 530625159 /nfs/dbraw/zinc/62/51/59/530625159.db2.gz PGPKOHYBARXBHJ-CABZTGNLSA-N 0 0 388.205 1.913 10 0 GDAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(Br)cn3)CCO2)[nH]1 ZINC000173714931 530635726 /nfs/dbraw/zinc/63/57/26/530635726.db2.gz OAIQTZAPDFSGKU-LLVKDONJSA-N 0 0 381.234 1.283 10 0 GDAERN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000173831184 530638365 /nfs/dbraw/zinc/63/83/65/530638365.db2.gz HNAIWMZDUYBGJC-LSDHHAIUSA-N 0 0 386.539 1.646 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000176286711 530681103 /nfs/dbraw/zinc/68/11/03/530681103.db2.gz 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530678986 /nfs/dbraw/zinc/67/89/86/530678986.db2.gz PCZJNUFLEAUJAH-OCCSQVGLSA-N 0 0 378.479 1.927 10 0 GDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1ccc(Br)cc1 ZINC000176564445 530685501 /nfs/dbraw/zinc/68/55/01/530685501.db2.gz YRGOPEVGRWUILP-JOCHJYFZSA-N 0 0 386.275 1.904 10 0 GDAERN COc1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)ccc1Br ZINC000176750475 530690325 /nfs/dbraw/zinc/69/03/25/530690325.db2.gz SAKWAFZOQCZALW-LLVKDONJSA-N 0 0 387.259 1.863 10 0 GDAERN CS(=O)(=O)CC1(CC(=O)N2CCCN(C(=O)c3cccs3)CC2)CC1 ZINC000176821142 530692052 /nfs/dbraw/zinc/69/20/52/530692052.db2.gz UJWSULQZQSNGBW-UHFFFAOYSA-N 0 0 384.523 1.638 10 0 GDAERN C[C@]1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000177334487 530701314 /nfs/dbraw/zinc/70/13/14/530701314.db2.gz RBWUGBMUCAUTNP-DYVFJYSZSA-N 0 0 386.901 1.724 10 0 GDAERN COC(=O)c1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(Br)o1 ZINC000177613936 530707049 /nfs/dbraw/zinc/70/70/49/530707049.db2.gz QZORWQKJULUMRX-SECBINFHSA-N 0 0 393.259 1.297 10 0 GDAERN CNC(=O)[C@H](NC(=O)N1CCN(c2ccc(Br)cn2)CC1)C(C)C ZINC000178421674 530721153 /nfs/dbraw/zinc/72/11/53/530721153.db2.gz RCXLQBDQJPGXSO-CQSZACIVSA-N 0 0 398.305 1.446 10 0 GDAERN Cc1nc(SCC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)n[nH]1 ZINC000177968237 530713604 /nfs/dbraw/zinc/71/36/04/530713604.db2.gz FVLJLZQJDHBXKV-CYBMUJFWSA-N 0 0 381.527 1.799 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CCN(Cc3ccon3)CC2)c1=O ZINC000177980424 530714483 /nfs/dbraw/zinc/71/44/83/530714483.db2.gz LSXPXUWFJPZILP-UHFFFAOYSA-N 0 0 396.245 1.486 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)CC2 ZINC000177984309 530714544 /nfs/dbraw/zinc/71/45/44/530714544.db2.gz DSTGAUMEMPLICB-SNVBAGLBSA-N 0 0 395.261 1.438 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000179483186 530741897 /nfs/dbraw/zinc/74/18/97/530741897.db2.gz VFSIHOZRVHNZGH-KGLIPLIRSA-N 0 0 376.210 1.557 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnn3cc(Br)cnc13)CC2 ZINC000179575761 530743960 /nfs/dbraw/zinc/74/39/60/530743960.db2.gz 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Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)c(Br)c1 ZINC000181688952 530789671 /nfs/dbraw/zinc/78/96/71/530789671.db2.gz SUVZFKUBXQZZPC-CQSZACIVSA-N 0 0 399.314 1.826 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000181997813 530793546 /nfs/dbraw/zinc/79/35/46/530793546.db2.gz CXQYXQYTZUTBDB-CYBMUJFWSA-N 0 0 391.299 1.865 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cnn2cc(Br)cnc12 ZINC000094150460 530816565 /nfs/dbraw/zinc/81/65/65/530816565.db2.gz KWGNBGSHUOYHEH-GFCCVEGCSA-N 0 0 380.246 1.085 10 0 GDAERN O=C(NC1CN(C[C@H](O)COc2ccc(Br)cc2)C1)C1CCC1 ZINC000185935187 530849045 /nfs/dbraw/zinc/84/90/45/530849045.db2.gz ZVCASBAVSAWNNP-HNNXBMFYSA-N 0 0 383.286 1.789 10 0 GDAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC000111361465 530874447 /nfs/dbraw/zinc/87/44/47/530874447.db2.gz LJIKCTVEUJOQRF-CQSZACIVSA-N 0 0 383.495 1.621 10 0 GDAERN CS(=O)(=O)c1ccc([C@@H](O)CN2CCN(c3cccs3)C(=O)C2)cc1 ZINC000186074515 530851174 /nfs/dbraw/zinc/85/11/74/530851174.db2.gz 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ZINC000188872806 530903374 /nfs/dbraw/zinc/90/33/74/530903374.db2.gz QYBPIBDIGDJQSC-HOCLYGCPSA-N 0 0 380.491 1.504 10 0 GDAERN NC(=O)[C@@H]1CN(C(=O)NCc2c(F)cc(Br)cc2F)CCO1 ZINC000187824992 530878356 /nfs/dbraw/zinc/87/83/56/530878356.db2.gz KJJGOUFLOPIAGU-NSHDSACASA-N 0 0 378.173 1.123 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)sc1Br ZINC000187915562 530880520 /nfs/dbraw/zinc/88/05/20/530880520.db2.gz YDXBELPAPZOYOU-UHFFFAOYSA-N 0 0 379.301 1.718 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000112473282 530881750 /nfs/dbraw/zinc/88/17/50/530881750.db2.gz NHUGZAWEJZOKQH-AWEZNQCLSA-N 0 0 394.269 1.465 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187979076 530881963 /nfs/dbraw/zinc/88/19/63/530881963.db2.gz CEYJAKCOVDDINW-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187987542 530882136 /nfs/dbraw/zinc/88/21/36/530882136.db2.gz GKSMTUCALKUSLY-UHFFFAOYSA-N 0 0 394.269 1.741 10 0 GDAERN O=C(COc1ccc(I)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112656292 530883516 /nfs/dbraw/zinc/88/35/16/530883516.db2.gz AVWRPIIVHYHZKS-NSHDSACASA-N 0 0 398.204 1.393 10 0 GDAERN C[C@H]1C(=O)NCCCN1C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000188098116 530885090 /nfs/dbraw/zinc/88/50/90/530885090.db2.gz JEDAXUJHSKFTBO-UFFNRZRYSA-N 0 0 395.253 1.971 10 0 GDAERN Cc1nc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccnc2)cs1 ZINC000188108631 530885801 /nfs/dbraw/zinc/88/58/01/530885801.db2.gz DOBRGXGCLOSUFM-HNNXBMFYSA-N 0 0 380.495 1.879 10 0 GDAERN CCc1csc([C@@H]2CCCN(C(=O)NCC3CN(S(C)(=O)=O)C3)C2)n1 ZINC000188167094 530886875 /nfs/dbraw/zinc/88/68/75/530886875.db2.gz LXOJAIPEKBFLAX-CYBMUJFWSA-N 0 0 386.543 1.486 10 0 GDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000190500937 530930868 /nfs/dbraw/zinc/93/08/68/530930868.db2.gz PVDLJYPGLHDNPF-XJKSGUPXSA-N 0 0 386.901 1.988 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C ZINC000190597232 530933499 /nfs/dbraw/zinc/93/34/99/530933499.db2.gz KPSIESFVXZFNAG-NXEZZACHSA-N 0 0 392.258 1.985 10 0 GDAERN CC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CCN1CCOC ZINC000117372123 530912948 /nfs/dbraw/zinc/91/29/48/530912948.db2.gz NUXHUKRGJNPFAW-ZDUSSCGKSA-N 0 0 386.905 1.719 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000189450997 530913347 /nfs/dbraw/zinc/91/33/47/530913347.db2.gz UWVDCLIRYUIOOR-AWEZNQCLSA-N 0 0 398.301 1.611 10 0 GDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC=C(c2cccs2)CC1 ZINC000117856433 530914798 /nfs/dbraw/zinc/91/47/98/530914798.db2.gz IFABUTGZKRTPRB-UHFFFAOYSA-N 0 0 396.266 1.677 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000118115528 530916272 /nfs/dbraw/zinc/91/62/72/530916272.db2.gz NWZKZWMJRUQVGZ-JTQLQIEISA-N 0 0 379.766 1.744 10 0 GDAERN O=S(=O)([C@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1)N1CCCC1 ZINC000189575422 530916918 /nfs/dbraw/zinc/91/69/18/530916918.db2.gz LKCPWWHCVQZFFF-NSHDSACASA-N 0 0 380.379 1.701 10 0 GDAERN 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/nfs/dbraw/zinc/66/52/55/531665255.db2.gz OEIDWTWCIUOFSR-SOUVJXGZSA-N 0 0 386.539 1.877 10 0 GDAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000270654894 531906801 /nfs/dbraw/zinc/90/68/01/531906801.db2.gz RSDQKTZEFOCKLQ-HTRCEHHLSA-N 0 0 376.232 1.074 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCOC[C@H]3c3nc[nH]n3)cc(Cl)c2O1 ZINC000283819373 531900575 /nfs/dbraw/zinc/90/05/75/531900575.db2.gz FAHITRIUEQOHCJ-RNCFNFMXSA-N 0 0 384.845 1.544 10 0 GDAERN CN1CCO[C@@H]2CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C[C@@H]21 ZINC000283996871 531918812 /nfs/dbraw/zinc/91/88/12/531918812.db2.gz BHQDDFNXTDLGHW-UONOGXRCSA-N 0 0 379.258 1.871 10 0 GDAERN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000298826415 531926979 /nfs/dbraw/zinc/92/69/79/531926979.db2.gz SIMCQNFXRFBRAE-CVEARBPZSA-N 0 0 388.511 1.269 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H]4CCN(C)C[C@H]43)cc(Cl)c2O1 ZINC000285249729 532055048 /nfs/dbraw/zinc/05/50/48/532055048.db2.gz YFRWUUFFSHMRRF-HFBAOOFYSA-N 0 0 386.901 1.757 10 0 GDAERN CCS(=O)(=O)N1CCc2c(ncn(Cc3csc(C(C)C)n3)c2=O)C1 ZINC000328627447 532089355 /nfs/dbraw/zinc/08/93/55/532089355.db2.gz GEJCQYKKLOCUEM-UHFFFAOYSA-N 0 0 382.511 1.579 10 0 GDAERN CN1C(=O)N[C@@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000286226204 532137167 /nfs/dbraw/zinc/13/71/67/532137167.db2.gz KGAOILIQUDEMNM-KGLIPLIRSA-N 0 0 392.253 1.849 10 0 GDAERN CC(C)(C)c1nnc(CNC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000332856123 532211618 /nfs/dbraw/zinc/21/16/18/532211618.db2.gz ZMZWGGJWKNCASI-QWRGUYRKSA-N 0 0 389.547 1.495 10 0 GDAERN CN1CC[C@@H](C(=O)N2CCNC(=O)c3ccc(Br)cc32)CC1=O ZINC000333422174 532233687 /nfs/dbraw/zinc/23/36/87/532233687.db2.gz RYWJOGKJHOFTKE-SNVBAGLBSA-N 0 0 380.242 1.394 10 0 GDAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000333215574 532225439 /nfs/dbraw/zinc/22/54/39/532225439.db2.gz QOAWQXKOLDTMNZ-JKSUJKDBSA-N 0 0 383.495 1.374 10 0 GDAERN COc1ccc(-c2nn([C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)c(=S)n2C)cc1OC ZINC000001065636 212211923 /nfs/dbraw/zinc/21/19/23/212211923.db2.gz OQDXKSZHLOFCJZ-OOVXXXAESA-N 0 0 377.422 1.891 10 0 GDAERN [NH3+]CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000098044927 212157610 /nfs/dbraw/zinc/15/76/10/212157610.db2.gz SCIBOUZRPFCBFX-HZPDHXFCSA-N 0 0 377.441 1.486 10 0 GDAERN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000005115799 212147087 /nfs/dbraw/zinc/14/70/87/212147087.db2.gz ZFDWAPWETDMDSZ-UHFFFAOYSA-N 0 0 380.448 1.521 10 0 investigational GDAERN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c(C)n1C1CC1 ZINC000328629166 212087744 /nfs/dbraw/zinc/08/77/44/212087744.db2.gz ONJPGFJYXCVPFY-QGZVFWFLSA-N 0 0 376.482 1.785 10 0 GDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cc3cc(F)ccc3[nH]2)cn1 ZINC000328616834 212086167 /nfs/dbraw/zinc/08/61/67/212086167.db2.gz CCOWHHLWSYGMHF-INIZCTEOSA-N 0 0 376.413 1.652 10 0 GDAERN CCCc1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(CC)c2)s1 ZINC000328616864 212086058 /nfs/dbraw/zinc/08/60/58/212086058.db2.gz CEJZARCQDTYAFU-CYBMUJFWSA-N 0 0 382.511 1.924 10 0 GDAERN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc(C)o2)cc1 ZINC000012710629 221219224 /nfs/dbraw/zinc/21/92/24/221219224.db2.gz CAYCYNBSKVLTON-LJQANCHMSA-N 0 0 385.464 1.994 10 0 GDAERN C[C@H]1CCc2c(sc(NC(=O)CSc3nc(N)cc(=O)[nH]3)c2C(N)=O)C1 ZINC000016699344 221369457 /nfs/dbraw/zinc/36/94/57/221369457.db2.gz FMSYBXVEYDLJCE-ZETCQYMHSA-N 0 0 393.494 1.368 10 0 GDAERN Cn1c(=O)cc(N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)n(C)c1=O ZINC000065024053 136158742 /nfs/dbraw/zinc/15/87/42/136158742.db2.gz WFVMGIZJPMOJIP-NSHDSACASA-N 0 0 378.379 1.217 10 0 GDAERN O=C(NCCc1ccccn1)C1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000065237241 136160836 /nfs/dbraw/zinc/16/08/36/136160836.db2.gz ODUJPBWOVHQGSF-UHFFFAOYSA-N 0 0 396.495 1.284 10 0 GDAERN Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2C/C=C/c2ccccc2)nn1C ZINC000055383367 222020121 /nfs/dbraw/zinc/02/01/21/222020121.db2.gz JNNFWANTDOGKAW-MBNRZODZSA-N 0 0 381.480 1.249 10 0 GDAERN Cn1c(CNC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)nc2ccccc21 ZINC000065210460 222111390 /nfs/dbraw/zinc/11/13/90/222111390.db2.gz QZCFJSXTXNYCGA-UHFFFAOYSA-N 0 0 384.461 1.825 10 0 GDAERN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000072321720 222226641 /nfs/dbraw/zinc/22/66/41/222226641.db2.gz VLJWSHGHBDKHEQ-XNFNUYLZSA-N 0 0 385.416 1.474 10 0 GDAERN C[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000077292540 222277974 /nfs/dbraw/zinc/27/79/74/222277974.db2.gz HSYKNUPTHBBLQY-APPDUMDISA-N 0 0 383.422 1.534 10 0 in-vitro GDAERN CCc1n[nH]c2c1CN(C(=O)Cn1nc(-c3ccccc3)n(CC)c1=O)CC2 ZINC000077458401 222283452 /nfs/dbraw/zinc/28/34/52/222283452.db2.gz YBJWSGHHDJJXOU-UHFFFAOYSA-N 0 0 380.452 1.602 10 0 GDAERN CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)NC1CCOCC1 ZINC000096113147 222381927 /nfs/dbraw/zinc/38/19/27/222381927.db2.gz IQZTWTUSVPSDHN-DLBZAZTESA-N 0 0 379.888 1.887 10 0 GDAERN CC(C)CCN1C[C@@]23CN(C(=O)Cc4ccccc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096146059 222389039 /nfs/dbraw/zinc/38/90/39/222389039.db2.gz IHOGJFCKSJRNKZ-HBFSDRIKSA-N 0 0 392.521 1.659 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000097013926 222434695 /nfs/dbraw/zinc/43/46/95/222434695.db2.gz BXAPOHPVCDLBBN-INIZCTEOSA-N 0 0 386.481 1.899 10 0 GDAERN O=C(OCc1ccccc1)N1C[C@@H](O)[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]21 ZINC000077272956 534565453 /nfs/dbraw/zinc/56/54/53/534565453.db2.gz GBRJHLWAZWZRJM-UTBUEMAESA-N 0 0 385.416 1.843 10 0 in-vitro GDAERN CC(=O)c1c(C)nn(CCC(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)c1C ZINC000220358440 570385502 /nfs/dbraw/zinc/38/55/02/570385502.db2.gz NLBWWSJWTNVIHK-HXUWFJFHSA-N 0 0 385.468 1.775 10 0 GDAERN Cn1nc(-c2ccccn2)cc1NC(=O)Cn1cc(-c2ccnc(N)n2)cn1 ZINC000048428302 570658426 /nfs/dbraw/zinc/65/84/26/570658426.db2.gz ATJGSBSWJQAOCB-UHFFFAOYSA-N 0 0 375.396 1.357 10 0 GDAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000066792772 644547306 /nfs/dbraw/zinc/54/73/06/644547306.db2.gz FZSSVVGRWWFKKW-MEDUHNTESA-N 0 0 384.889 1.727 10 0 GDAERN CCc1nc(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cs1 ZINC000125857724 644717260 /nfs/dbraw/zinc/71/72/60/644717260.db2.gz ZULMAZRWZZPANI-JTQLQIEISA-N 0 0 378.479 1.449 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000135689052 644766446 /nfs/dbraw/zinc/76/64/46/644766446.db2.gz GHNDNUKMXFTHTR-DOMZBBRYSA-N 0 0 390.937 1.261 10 0 GDAERN CCn1c2[nH]c(-c3ccccc3I)nc2c(=O)[nH]c1=O ZINC000157161414 644827235 /nfs/dbraw/zinc/82/72/35/644827235.db2.gz XORZONGWAVMSDR-UHFFFAOYSA-N 0 0 382.161 1.704 10 0 GDAERN CCOc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1CO ZINC000168676535 644867768 /nfs/dbraw/zinc/86/77/68/644867768.db2.gz JNROOASDULFXKU-LLVKDONJSA-N 0 0 380.260 1.230 10 0 GDAERN CN(C)C(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000301427724 645235139 /nfs/dbraw/zinc/23/51/39/645235139.db2.gz IDTJZQOYNJSQQV-SNVBAGLBSA-N 0 0 379.404 1.657 10 0 GDAERN O=S(=O)(CC1CCS(=O)(=O)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000328830817 645280628 /nfs/dbraw/zinc/28/06/28/645280628.db2.gz URWHXEFBEUWYEQ-NEPJUHHUSA-N 0 0 377.450 1.852 10 0 GDAERN O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000329713217 645324444 /nfs/dbraw/zinc/32/44/44/645324444.db2.gz RFEZYNYHKBYMJL-CZUORRHYSA-N 0 0 386.901 1.635 10 0 GDAERN O=C([C@H]1CCNCC1(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000580828248 651941940 /nfs/dbraw/zinc/94/19/40/651941940.db2.gz VLGRIDACFCRIEX-GFCCVEGCSA-N 0 0 393.481 1.262 10 0 GDAERN Cc1cc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)s1 ZINC000702764560 654832703 /nfs/dbraw/zinc/83/27/03/654832703.db2.gz KPAZEZXYCAEMIP-QWHCGFSZSA-N 0 0 390.527 1.871 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccoc2Br)C1 ZINC000702814784 654833082 /nfs/dbraw/zinc/83/30/82/654833082.db2.gz LSZKVMNCKRZEQA-ONGXEEELSA-N 0 0 389.246 2.000 10 0 GDAERN C[C@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000701837583 954890058 /nfs/dbraw/zinc/89/00/58/954890058.db2.gz LBLZXVMFMAYRIA-XIRDDKMYSA-N 0 0 381.498 1.423 10 0 GDAERN [NH3+]C1(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC000686816077 976119041 /nfs/dbraw/zinc/11/90/41/976119041.db2.gz VHRPVTPWLXFQTR-QGZVFWFLSA-N 0 0 375.469 1.072 10 0 GDAERN O=C([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702617404 977096933 /nfs/dbraw/zinc/09/69/33/977096933.db2.gz BMFYGCFUQQBABO-LJQANCHMSA-N 0 0 390.461 1.300 10 0 GDAERN O=C([O-])c1c[nH]nc1S(=O)(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709637138 977462998 /nfs/dbraw/zinc/46/29/98/977462998.db2.gz GFFQVKXRRJNBGY-HNNXBMFYSA-N 0 0 392.481 1.831 10 0 GDAERN O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000712827533 977605472 /nfs/dbraw/zinc/60/54/72/977605472.db2.gz WKGMBJCVBZJEPR-SQNIBIBYSA-N 0 0 396.509 1.450 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000158970910 530538474 /nfs/dbraw/zinc/53/84/74/530538474.db2.gz COEYGFNNOWMRFP-LBPRGKRZSA-N 0 0 396.245 1.423 10 0 GDAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000170800317 530589560 /nfs/dbraw/zinc/58/95/60/530589560.db2.gz RISAJBVYGYNHCS-OPQQBVKSSA-N 0 0 377.388 1.954 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000170812533 530589834 /nfs/dbraw/zinc/58/98/34/530589834.db2.gz OUWLIXFKNMFXIQ-ZDUSSCGKSA-N 0 0 389.315 1.853 10 0 GDAERN C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173949610 530640254 /nfs/dbraw/zinc/64/02/54/530640254.db2.gz ZECMJMUCEKAVQZ-XJKSGUPXSA-N 0 0 379.507 1.970 10 0 GDAERN Cc1nc(S(=O)(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cn1C ZINC000175215073 530660394 /nfs/dbraw/zinc/66/03/94/530660394.db2.gz XFVUOLJQZVBJQT-AWEZNQCLSA-N 0 0 384.527 1.484 10 0 GDAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000175560131 530667098 /nfs/dbraw/zinc/66/70/98/530667098.db2.gz YXFDEQRRJRIDEQ-ZDUSSCGKSA-N 0 0 381.274 1.361 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000175822605 530671396 /nfs/dbraw/zinc/67/13/96/530671396.db2.gz OMQJYXYHKFUYAH-LBPRGKRZSA-N 0 0 378.230 1.422 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176103097 530677175 /nfs/dbraw/zinc/67/71/75/530677175.db2.gz GDWRNTVUXLZFNL-GFCCVEGCSA-N 0 0 378.230 1.939 10 0 GDAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000176565569 530685543 /nfs/dbraw/zinc/68/55/43/530685543.db2.gz UKIHPCVRWBIERZ-HSZRJFAPSA-N 0 0 375.907 1.876 10 0 GDAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)C(C)C ZINC000178415342 530720294 /nfs/dbraw/zinc/72/02/94/530720294.db2.gz QOKNRCOZFSADII-CYBMUJFWSA-N 0 0 399.289 1.249 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000176992678 530695481 /nfs/dbraw/zinc/69/54/81/530695481.db2.gz GNBDPZQWOLGNKA-DOMZBBRYSA-N 0 0 389.315 1.790 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000177207728 530699083 /nfs/dbraw/zinc/69/90/83/530699083.db2.gz YYABCYVTLHPFKM-LBPRGKRZSA-N 0 0 390.245 1.697 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626517 530706945 /nfs/dbraw/zinc/70/69/45/530706945.db2.gz ZYWRMALGEZPKFZ-GFCCVEGCSA-N 0 0 392.257 1.727 10 0 GDAERN CNC(=O)[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(C)C ZINC000178720538 530725916 /nfs/dbraw/zinc/72/59/16/530725916.db2.gz ITCXIGCYUUWQFM-OAHLLOKOSA-N 0 0 385.258 1.650 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C(C)C ZINC000178898052 530730287 /nfs/dbraw/zinc/73/02/87/530730287.db2.gz DYHCVJRXIUHQJR-LLVKDONJSA-N 0 0 390.665 1.928 10 0 GDAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000178949244 530731940 /nfs/dbraw/zinc/73/19/40/530731940.db2.gz WKPVLBYOCMTIBN-BAJKAOOYSA-N 0 0 380.242 1.485 10 0 GDAERN Cn1cc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc(Br)c1=O ZINC000178963473 530732754 /nfs/dbraw/zinc/73/27/54/530732754.db2.gz POGLWZBJVIDSJZ-UONOGXRCSA-N 0 0 378.226 1.928 10 0 GDAERN CC(C)N(CCS(C)(=O)=O)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000179054082 530734034 /nfs/dbraw/zinc/73/40/34/530734034.db2.gz XMSYXCHYHRKXCM-UHFFFAOYSA-N 0 0 386.539 1.882 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000179846547 530751579 /nfs/dbraw/zinc/75/15/79/530751579.db2.gz WJUSVWZNYBQJDW-OLZOCXBDSA-N 0 0 376.210 1.557 10 0 GDAERN CS(=O)(=O)NCCC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179954566 530753885 /nfs/dbraw/zinc/75/38/85/530753885.db2.gz BLIUNYBSNQEROO-QWHCGFSZSA-N 0 0 380.388 1.279 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cs1 ZINC000180142468 530759560 /nfs/dbraw/zinc/75/95/60/530759560.db2.gz FOFDJEQLNDSVQM-GXFFZTMASA-N 0 0 388.417 1.622 10 0 GDAERN Cc1c(Br)c2ccccc2n1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000180275822 530762762 /nfs/dbraw/zinc/76/27/62/530762762.db2.gz XWNOBAXYKKIRDX-ZDUSSCGKSA-N 0 0 380.242 1.425 10 0 GDAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1ccc(Cl)cc1Cl ZINC000181352035 530782281 /nfs/dbraw/zinc/78/22/81/530782281.db2.gz MBXBDEVTXKTLRS-CQSZACIVSA-N 0 0 383.235 1.814 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cnc1Br ZINC000182817412 530805219 /nfs/dbraw/zinc/80/52/19/530805219.db2.gz MUYXFNNZEGYXMS-NWDGAFQWSA-N 0 0 399.289 1.005 10 0 GDAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000184909467 530833899 /nfs/dbraw/zinc/83/38/99/530833899.db2.gz NCMUFWLNVMOWKR-ZDUSSCGKSA-N 0 0 384.841 1.767 10 0 GDAERN COc1ccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)nc1Br ZINC000183108571 530809399 /nfs/dbraw/zinc/80/93/99/530809399.db2.gz ORKROLLDELFLJU-LBPRGKRZSA-N 0 0 395.257 1.899 10 0 GDAERN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CC(O)C1 ZINC000183154953 530809982 /nfs/dbraw/zinc/80/99/82/530809982.db2.gz IXZBDTWYZDKBLI-OAHLLOKOSA-N 0 0 378.475 1.067 10 0 GDAERN COc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)nc1Br ZINC000183208465 530811187 /nfs/dbraw/zinc/81/11/87/530811187.db2.gz HSLYAIMOQDXTAS-WCQYABFASA-N 0 0 384.274 1.645 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000183746686 530819923 /nfs/dbraw/zinc/81/99/23/530819923.db2.gz HKUQBWBSTSCHGV-SNVBAGLBSA-N 0 0 383.817 1.441 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000183746669 530820012 /nfs/dbraw/zinc/82/00/12/530820012.db2.gz HKUQBWBSTSCHGV-JTQLQIEISA-N 0 0 383.817 1.441 10 0 GDAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000106171560 530846724 /nfs/dbraw/zinc/84/67/24/530846724.db2.gz IVPXDCBCQMHFBJ-WFASDCNBSA-N 0 0 378.274 1.979 10 0 GDAERN COc1ccc([C@@H]2[C@@H](S(=O)(=O)N3CCSCC3)CON2C)cc1OC ZINC000106681725 530849582 /nfs/dbraw/zinc/84/95/82/530849582.db2.gz SCUSJEKARYJANA-JKSUJKDBSA-N 0 0 388.511 1.369 10 0 GDAERN Cc1cnn(CCNS(=O)(=O)c2cc(Br)cc3c2OCC3)c1 ZINC000186017898 530850326 /nfs/dbraw/zinc/85/03/26/530850326.db2.gz WEEBXCGCTGAACV-UHFFFAOYSA-N 0 0 386.271 1.867 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)C1CCC1 ZINC000186185327 530852366 /nfs/dbraw/zinc/85/23/66/530852366.db2.gz HTMGLRYAMGOXSI-UHFFFAOYSA-N 0 0 378.372 1.874 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000186228056 530853797 /nfs/dbraw/zinc/85/37/97/530853797.db2.gz JKDDHUWANAEPCM-ZBFHGGJFSA-N 0 0 386.901 1.912 10 0 GDAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCO[C@@H](c2nccs2)C1 ZINC000110881361 530870672 /nfs/dbraw/zinc/87/06/72/530870672.db2.gz SVQNVKCDSKDCBE-CYBMUJFWSA-N 0 0 376.829 1.986 10 0 GDAERN Cn1cc([C@@H]2CCN(C(=O)c3nc4ncc(Br)cn4n3)C2)cn1 ZINC000116116996 530902751 /nfs/dbraw/zinc/90/27/51/530902751.db2.gz PRNZHGGVHBFILA-SECBINFHSA-N 0 0 376.218 1.250 10 0 GDAERN CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccc1Br ZINC000112662096 530883599 /nfs/dbraw/zinc/88/35/99/530883599.db2.gz CZMIPJKTKRDZLA-SNVBAGLBSA-N 0 0 399.270 1.189 10 0 GDAERN COc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1Br ZINC000112747726 530884489 /nfs/dbraw/zinc/88/44/89/530884489.db2.gz MMYAQCBOOTURBJ-NSHDSACASA-N 0 0 380.246 1.863 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188135647 530886267 /nfs/dbraw/zinc/88/62/67/530886267.db2.gz KZKMODZOBHEVOO-CYBMUJFWSA-N 0 0 382.258 1.741 10 0 GDAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000188223672 530889155 /nfs/dbraw/zinc/88/91/55/530889155.db2.gz PGYQFDRREXJTRY-CQSZACIVSA-N 0 0 376.544 1.735 10 0 GDAERN CN1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1=O ZINC000188448363 530894212 /nfs/dbraw/zinc/89/42/12/530894212.db2.gz JMHZYEKZKRJJGL-UHFFFAOYSA-N 0 0 393.245 1.726 10 0 GDAERN CN1CCO[C@H](CNC(=O)NOCc2ccc(F)cc2Br)C1 ZINC000188540221 530896330 /nfs/dbraw/zinc/89/63/30/530896330.db2.gz AAJMNTAWGFUGHE-GFCCVEGCSA-N 0 0 376.226 1.650 10 0 GDAERN COC(=O)[C@H]1C[C@H](O)CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000188599050 530897634 /nfs/dbraw/zinc/89/76/34/530897634.db2.gz DDUVQBGNCGERCD-GZMMTYOYSA-N 0 0 380.750 1.906 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190384259 530929879 /nfs/dbraw/zinc/92/98/79/530929879.db2.gz CNVHLKLBGFDGGO-AWEZNQCLSA-N 0 0 386.543 1.750 10 0 GDAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc(C)c1Br ZINC000190494569 530930848 /nfs/dbraw/zinc/93/08/48/530930848.db2.gz GXPOFJHMCNXQEZ-ZDUSSCGKSA-N 0 0 384.274 1.451 10 0 GDAERN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000190572433 530933682 /nfs/dbraw/zinc/93/36/82/530933682.db2.gz VITUJTWFIOTPTG-AWEZNQCLSA-N 0 0 387.571 1.945 10 0 GDAERN CN1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1=O ZINC000190634532 530934436 /nfs/dbraw/zinc/93/44/36/530934436.db2.gz VDUKZXUGYAOVLF-UHFFFAOYSA-N 0 0 389.271 1.157 10 0 GDAERN CN1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1=O ZINC000190629504 530934441 /nfs/dbraw/zinc/93/44/41/530934441.db2.gz OGQOBLLSBTUXJR-UHFFFAOYSA-N 0 0 382.258 1.260 10 0 GDAERN C[C@@H](CNC(=O)Cc1ccccc1I)N1CCOCC1 ZINC000119077906 530921696 /nfs/dbraw/zinc/92/16/96/530921696.db2.gz BVSWCXXNDSKKLC-LBPRGKRZSA-N 0 0 388.249 1.671 10 0 GDAERN O=C(NCc1nnc2n1CCCCC2)c1ccncc1I ZINC000119145847 530922642 /nfs/dbraw/zinc/92/26/42/530922642.db2.gz VPTRJIFZYCRLKU-UHFFFAOYSA-N 0 0 397.220 1.934 10 0 GDAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000119181371 530923104 /nfs/dbraw/zinc/92/31/04/530923104.db2.gz UKCOQLOQDGOHFH-LBPRGKRZSA-N 0 0 380.495 1.464 10 0 GDAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000119259617 530923926 /nfs/dbraw/zinc/92/39/26/530923926.db2.gz QOYRUJCOFDFSQL-DOMZBBRYSA-N 0 0 397.248 1.712 10 0 GDAERN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)C1 ZINC000191055527 530943401 /nfs/dbraw/zinc/94/34/01/530943401.db2.gz MHPGZQZYMJXZNX-WCQYABFASA-N 0 0 387.329 1.469 10 0 GDAERN C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1c(Cl)ccc(F)c1Cl ZINC000121258006 530952970 /nfs/dbraw/zinc/95/29/70/530952970.db2.gz FDKACCOXAAPLJJ-SSDOTTSWSA-N 0 0 395.243 1.854 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000121287354 530953264 /nfs/dbraw/zinc/95/32/64/530953264.db2.gz JPTBHOCXQKTBBN-CYBMUJFWSA-N 0 0 382.258 1.823 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000191762982 530954442 /nfs/dbraw/zinc/95/44/42/530954442.db2.gz TYCNPLNVWFKGIA-NEPJUHHUSA-N 0 0 394.269 1.539 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000193953904 530996840 /nfs/dbraw/zinc/99/68/40/530996840.db2.gz DUHIZPHVKLXQMO-KCXZSRPNSA-N 0 0 387.263 1.392 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)ccc1Br ZINC000193389082 530985686 /nfs/dbraw/zinc/98/56/86/530985686.db2.gz BEKUTHFXVGYWTG-NSHDSACASA-N 0 0 393.245 1.546 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccccc1OC(F)(F)F ZINC000123675252 530986181 /nfs/dbraw/zinc/98/61/81/530986181.db2.gz RWQCAVMYDMKXJH-LBPRGKRZSA-N 0 0 380.388 1.727 10 0 GDAERN Cc1csc([C@H]2CCCN(CC(=O)NCCCN(C)S(C)(=O)=O)C2)n1 ZINC000195338058 531021437 /nfs/dbraw/zinc/02/14/37/531021437.db2.gz JCIFVDCFIXKETN-AWEZNQCLSA-N 0 0 388.559 1.029 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000195428717 531022494 /nfs/dbraw/zinc/02/24/94/531022494.db2.gz GXZFXQZQDDZYCG-NSHDSACASA-N 0 0 385.877 1.700 10 0 GDAERN CC(C)c1nnc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)n1C ZINC000195429848 531022692 /nfs/dbraw/zinc/02/26/92/531022692.db2.gz MGKVKFIMRMWMMX-UHFFFAOYSA-N 0 0 383.543 1.943 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1csc(I)c1 ZINC000127572781 531031997 /nfs/dbraw/zinc/03/19/97/531031997.db2.gz XPIWNXXDNPSEPC-LLVKDONJSA-N 0 0 392.262 1.946 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)CCO2)[nH]1 ZINC000194361358 531004250 /nfs/dbraw/zinc/00/42/50/531004250.db2.gz UAJLPUVJOCYREK-KBPBESRZSA-N 0 0 393.241 1.779 10 0 GDAERN Cn1cc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C(N)=O ZINC000246082845 531063055 /nfs/dbraw/zinc/06/30/55/531063055.db2.gz HMSCYDZRANFCII-SMDDNHRTSA-N 0 0 383.495 1.462 10 0 GDAERN C[C@H](O)CN1CCN(S(=O)(=O)c2sccc2Br)C[C@H]1C ZINC000246071708 531063073 /nfs/dbraw/zinc/06/30/73/531063073.db2.gz DRXZDSMBSQFMRC-ZJUUUORDSA-N 0 0 383.333 1.586 10 0 GDAERN C[C@H]1CN(S(=O)(=O)NCCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000246143471 531063986 /nfs/dbraw/zinc/06/39/86/531063986.db2.gz KMQGLWIIUZAVIZ-UWVGGRQHSA-N 0 0 383.333 1.997 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246184899 531064503 /nfs/dbraw/zinc/06/45/03/531064503.db2.gz SROPVHXXSBSWRA-RAIGVLPGSA-N 0 0 380.242 1.856 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)CO1 ZINC000246166394 531064676 /nfs/dbraw/zinc/06/46/76/531064676.db2.gz DZDXLJBHPYWFPA-UPJWGTAASA-N 0 0 375.441 1.487 10 0 GDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000246234738 531065310 /nfs/dbraw/zinc/06/53/10/531065310.db2.gz RDKFWHIMSNXOFK-CYBMUJFWSA-N 0 0 391.896 1.562 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000246530731 531067545 /nfs/dbraw/zinc/06/75/45/531067545.db2.gz PGRQICOYFJVMBL-IUODEOHRSA-N 0 0 389.315 1.790 10 0 GDAERN C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128053005 531037083 /nfs/dbraw/zinc/03/70/83/531037083.db2.gz SIKRDBVSPLRTTJ-OCCSQVGLSA-N 0 0 387.274 1.026 10 0 GDAERN CN(CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000245526203 531057160 /nfs/dbraw/zinc/05/71/60/531057160.db2.gz FJTIDFLCZMOZHL-STQMWFEESA-N 0 0 380.388 1.231 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC000245545502 531058416 /nfs/dbraw/zinc/05/84/16/531058416.db2.gz VOQDEVWJMSPUQL-CVEARBPZSA-N 0 0 387.933 1.921 10 0 GDAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000245607415 531059281 /nfs/dbraw/zinc/05/92/81/531059281.db2.gz IQQIJKUKEWBYMD-ZFWWWQNUSA-N 0 0 388.942 1.955 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245777118 531060935 /nfs/dbraw/zinc/06/09/35/531060935.db2.gz ZHZJMQMHHXBZLB-JHJVBQTASA-N 0 0 380.242 1.856 10 0 GDAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247584614 531076333 /nfs/dbraw/zinc/07/63/33/531076333.db2.gz IVPXDCBCQMHFBJ-DOMZBBRYSA-N 0 0 378.274 1.979 10 0 GDAERN Cc1cnn(C[C@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3)CCO2)c1 ZINC000247812818 531076689 /nfs/dbraw/zinc/07/66/89/531076689.db2.gz VKIBGTPFMPHCEY-HZPDHXFCSA-N 0 0 393.285 1.881 10 0 GDAERN CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000248660926 531080720 /nfs/dbraw/zinc/08/07/20/531080720.db2.gz ZRXHISQUFIFNRZ-NWDGAFQWSA-N 0 0 376.400 1.701 10 0 GDAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000248689266 531081150 /nfs/dbraw/zinc/08/11/50/531081150.db2.gz IDDCDPOUMASVIW-MNOVXSKESA-N 0 0 396.328 1.954 10 0 GDAERN O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134704084 531103239 /nfs/dbraw/zinc/10/32/39/531103239.db2.gz IIRZMZNICKWWOK-LBPRGKRZSA-N 0 0 396.893 1.668 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1F ZINC000134704754 531103296 /nfs/dbraw/zinc/10/32/96/531103296.db2.gz TZIKQHZLTYSHQK-CQSZACIVSA-N 0 0 376.475 1.323 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(F)c1 ZINC000134703719 531103382 /nfs/dbraw/zinc/10/33/82/531103382.db2.gz CKSAQXVQHFPYKK-CYBMUJFWSA-N 0 0 376.475 1.323 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)[C@H](C)CO1 ZINC000246705646 531069758 /nfs/dbraw/zinc/06/97/58/531069758.db2.gz ZOJDEUONFCQNKQ-XJKCOSOUSA-N 0 0 375.922 1.886 10 0 GDAERN CC[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1C[C@H](C)O ZINC000246880822 531070733 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10 0 GDAERN Cc1noc([C@H]2CN(C(=O)c3ccc(Br)cc3O)CCN2C)n1 ZINC000284703254 531982665 /nfs/dbraw/zinc/98/26/65/531982665.db2.gz QXVBZLOEGQPVAA-GFCCVEGCSA-N 0 0 381.230 1.975 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)CCNc2ccc(Br)cn2)C[C@H](C)O1 ZINC000301370679 532033062 /nfs/dbraw/zinc/03/30/62/532033062.db2.gz PUCHPDQDUGKDNL-PHIMTYICSA-N 0 0 378.292 1.695 10 0 GDAERN CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1c1ncc[nH]1 ZINC000328623404 532089300 /nfs/dbraw/zinc/08/93/00/532089300.db2.gz JBUONNNHJMINRD-NSHDSACASA-N 0 0 375.376 1.501 10 0 GDAERN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329182273 532097894 /nfs/dbraw/zinc/09/78/94/532097894.db2.gz ONYSHXCZKBZUTC-BFQNTYOBSA-N 0 0 388.892 1.945 10 0 GDAERN CC(C)c1nnc([C@@H]2COCCN2S(=O)(=O)c2c(Cl)cnn2C)o1 ZINC000330227288 532117916 /nfs/dbraw/zinc/11/79/16/532117916.db2.gz BXWQPAOGOGCRLJ-JTQLQIEISA-N 0 0 375.838 1.342 10 0 GDAERN C[C@H]1CCS(=O)(=O)CCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000330348108 532119716 /nfs/dbraw/zinc/11/97/16/532119716.db2.gz IJRNCGUKYBPHCE-XEZPLFJOSA-N 0 0 377.528 1.221 10 0 GDAERN O=C(COc1ccccc1)N1CC[C@H]2NC(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000004260792 291112287 /nfs/dbraw/zinc/11/22/87/291112287.db2.gz FTYOITUMVTZIDX-AEFFLSMTSA-N 0 0 383.379 1.930 10 0 GDAERN C[C@@H]1CC(=O)NN=C1c1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccccc1)C2 ZINC000013885056 212149827 /nfs/dbraw/zinc/14/98/27/212149827.db2.gz CBDKKURJIOWUAX-DYVFJYSZSA-N 0 0 383.473 1.992 10 0 GDAERN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](CO)c1ccccc1)C=C2 ZINC000504736561 533166982 /nfs/dbraw/zinc/16/69/82/533166982.db2.gz ANEROFBYWOVPCA-SFHVURJKSA-N 0 0 396.443 1.909 10 0 GDAERN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC[C@H]1CCCO1 ZINC000006819210 220967407 /nfs/dbraw/zinc/96/74/07/220967407.db2.gz ZFEMGMBQIICEBQ-OAHLLOKOSA-N 0 0 389.477 1.685 10 0 GDAERN Cc1cc(N)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020344118 221483206 /nfs/dbraw/zinc/48/32/06/221483206.db2.gz VKBPTGHQKMSJKO-UHFFFAOYSA-N 0 0 375.450 1.850 10 0 GDAERN O=C(NCCN1CCOCC1)c1ccc(C[S@](=O)c2ccc(F)cc2)o1 ZINC000020515058 221495935 /nfs/dbraw/zinc/49/59/35/221495935.db2.gz MYSROGBSWUJHRM-AREMUKBSSA-N 0 0 380.441 1.789 10 0 GDAERN CCOC(=O)C1=C(C)N(CC(=O)OC)C(=O)[C@]12c1ccccc1-c1oc(N)nc12 ZINC000020609225 221503564 /nfs/dbraw/zinc/50/35/64/221503564.db2.gz BNYDPLUGLOKBFZ-HXUWFJFHSA-N 0 0 397.387 1.376 10 0 GDAERN O=C(Cn1ncc2c1ncnc2N1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000065295110 136162801 /nfs/dbraw/zinc/16/28/01/136162801.db2.gz SHJPCHBQKIGVKS-UHFFFAOYSA-N 0 0 396.407 1.073 10 0 GDAERN Cc1c(C(=O)NCCCN2CCOCC2)cccc1-n1nnc2cccnc21 ZINC000064925719 222088428 /nfs/dbraw/zinc/08/84/28/222088428.db2.gz RSHUYUANMDVQOP-UHFFFAOYSA-N 0 0 380.452 1.576 10 0 GDAERN C=C1C(N2CCCN(C(=O)COC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239429 222115005 /nfs/dbraw/zinc/11/50/05/222115005.db2.gz XPARXXRSOYNGOP-UHFFFAOYSA-N 0 0 391.493 1.649 10 0 GDAERN COc1ccc(S(=O)(=O)N2CCC3(CNC(=O)C3)CC2)c2c1CCCC2 ZINC000077505061 222285632 /nfs/dbraw/zinc/28/56/32/222285632.db2.gz JOKYENKKILPKSB-UHFFFAOYSA-N 0 0 378.494 1.865 10 0 GDAERN CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2snnc2C)CN1Cc1ccc(C)o1 ZINC000095520092 222346812 /nfs/dbraw/zinc/34/68/12/222346812.db2.gz NOFIMJGDQNXMPM-OCCSQVGLSA-N 0 0 377.470 1.257 10 0 GDAERN Cc1ccc(S(=O)(=O)/N=c2\ccc(Br)cn2CC(N)=O)cc1 ZINC000095705178 222359506 /nfs/dbraw/zinc/35/95/06/222359506.db2.gz PUGBSRGMLXOMEC-SAPNQHFASA-N 0 0 384.255 1.334 10 0 GDAERN O=C(CSc1nn2c(nnc(Cc3ccccc3)c2=O)s1)n1ccnc1 ZINC000073711627 527074620 /nfs/dbraw/zinc/07/46/20/527074620.db2.gz NYFOLGUHRIHSPR-UHFFFAOYSA-N 0 0 384.446 1.766 10 0 GDAERN O=S(=O)(Cc1noc2ccccc21)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000275250860 527201925 /nfs/dbraw/zinc/20/19/25/527201925.db2.gz GRAMDQFUZVKSKP-QGZVFWFLSA-N 0 0 390.421 1.512 10 0 GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccn3)nc(-c3cnccn3)n2)CC1 ZINC000073685623 527611006 /nfs/dbraw/zinc/61/10/06/527611006.db2.gz HICNSLFLVXMNFD-UHFFFAOYSA-N 0 0 377.408 1.202 10 0 GDAERN CCn1ncc(NC(=O)c2ccc(OC)c(OC)c2)c(N2CCOCC2)c1=O ZINC000065307261 535827446 /nfs/dbraw/zinc/82/74/46/535827446.db2.gz ONIHSFVPKWPQRP-UHFFFAOYSA-N 0 0 388.424 1.369 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000268080301 570334847 /nfs/dbraw/zinc/33/48/47/570334847.db2.gz VECVZLGGAZMEEG-LBPRGKRZSA-N 0 0 390.425 1.008 10 0 GDAERN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000004933552 570374264 /nfs/dbraw/zinc/37/42/64/570374264.db2.gz DCZIUPPSFPTKIY-CJNGLKHVSA-N 0 0 393.509 1.887 10 0 GDAERN CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O ZINC000044960054 570645624 /nfs/dbraw/zinc/64/56/24/570645624.db2.gz FXVJOFLORWKFHJ-TZNCUMHOSA-N 0 0 392.452 1.586 10 0 in-vitro GDAERN Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)c2noc3c2CCCC3)C1 ZINC000244773769 570696146 /nfs/dbraw/zinc/69/61/46/570696146.db2.gz PGBMZUPNQSMYDE-JOCQHMNTSA-N 0 0 381.440 1.603 10 0 GDAERN CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O ZINC000077269492 570903166 /nfs/dbraw/zinc/90/31/66/570903166.db2.gz FXVJOFLORWKFHJ-YYWYGQEZSA-N 0 0 392.452 1.586 10 0 in-vitro GDAERN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)NC3CCCC3)cc2C[C@H]1C ZINC000006866906 570906035 /nfs/dbraw/zinc/90/60/35/570906035.db2.gz ORGQMRPRLUKUBV-CYBMUJFWSA-N 0 0 393.509 1.663 10 0 GDAERN Cn1c2ccc(S(=O)(=O)CC(=O)NCc3cccs3)cc2n(C)c1=O ZINC000045970000 644357151 /nfs/dbraw/zinc/35/71/51/644357151.db2.gz DDNWJIYCMQTKOT-UHFFFAOYSA-N 0 0 379.463 1.029 10 0 GDAERN CC[C@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1nccs1 ZINC000126070297 644718491 /nfs/dbraw/zinc/71/84/91/644718491.db2.gz KSWLEWUVVHLTCE-JQWIXIFHSA-N 0 0 378.479 1.838 10 0 GDAERN CC(=O)N1CCC[C@H]1c1nc(C2CN(S(=O)(=O)c3cccs3)C2)no1 ZINC000169782998 644868366 /nfs/dbraw/zinc/86/83/66/644868366.db2.gz BHTVPPFSFMKPLL-LBPRGKRZSA-N 0 0 382.467 1.603 10 0 GDAERN CC(C)CCNC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000169760759 644868455 /nfs/dbraw/zinc/86/84/55/644868455.db2.gz LFDGXJSCYMDSGF-UHFFFAOYSA-N 0 0 375.535 1.647 10 0 GDAERN CCN(CCS(C)(=O)=O)C[C@H](O)COc1cccc(Br)c1 ZINC000178996902 644930187 /nfs/dbraw/zinc/93/01/87/644930187.db2.gz NWFLHKMNKMCMEF-ZDUSSCGKSA-N 0 0 380.304 1.555 10 0 GDAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2Br)C1 ZINC000179632875 644934858 /nfs/dbraw/zinc/93/48/58/644934858.db2.gz XJABXCQLGMZVPN-NSHDSACASA-N 0 0 397.273 1.690 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000195426965 645069954 /nfs/dbraw/zinc/06/99/54/645069954.db2.gz HAWWZHBIMUHCDT-GFCCVEGCSA-N 0 0 378.376 1.921 10 0 GDAERN O=S(=O)(/C=C\c1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000254949485 645105847 /nfs/dbraw/zinc/10/58/47/645105847.db2.gz NMZXNNCNPAFIBJ-FWWRYZNZSA-N 0 0 383.271 1.946 10 0 GDAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)n1 ZINC000329535804 645316033 /nfs/dbraw/zinc/31/60/33/645316033.db2.gz ZSHMGZFBDZWFBE-GFCCVEGCSA-N 0 0 392.568 1.792 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3[nH]nc(C4CC4)c3Br)CCO2)[nH]1 ZINC000329808652 645329257 /nfs/dbraw/zinc/32/92/57/645329257.db2.gz MARBCQYXPHSAKM-SECBINFHSA-N 0 0 381.234 1.690 10 0 GDAERN O=C1NCCC[C@H]1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000329804759 645329304 /nfs/dbraw/zinc/32/93/04/645329304.db2.gz AFHXNELUJGQCNY-SNVBAGLBSA-N 0 0 375.244 1.781 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)N(S(C)(=O)=O)C1 ZINC000329878113 645334674 /nfs/dbraw/zinc/33/46/74/645334674.db2.gz KGYJHVHQJHKUSI-CWRNSKLLSA-N 0 0 386.901 1.705 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CN(C)CCO1 ZINC000632632423 653387883 /nfs/dbraw/zinc/38/78/83/653387883.db2.gz XNARRLJBOGUIII-JTQLQIEISA-N 0 0 383.333 1.770 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000702765390 654832776 /nfs/dbraw/zinc/83/27/76/654832776.db2.gz KVPUIKNACOBPJN-FZMZJTMJSA-N 0 0 390.889 1.846 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@@H](n3cncn3)C2)n1 ZINC000892386093 658323357 /nfs/dbraw/zinc/32/33/57/658323357.db2.gz QVPVWSYBVHPWFL-SNVBAGLBSA-N 0 0 381.234 1.849 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N[C@H]2CCCn3nc(C)nc32)n1 ZINC000892857285 658355590 /nfs/dbraw/zinc/35/55/90/658355590.db2.gz VPXHLAVDODPOIR-JTQLQIEISA-N 0 0 381.234 1.685 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCO[C@H]3CCN(C)C[C@@H]32)n1 ZINC000893767682 658445108 /nfs/dbraw/zinc/44/51/08/658445108.db2.gz GSUHDRXFNFDSCV-RYUDHWBXSA-N 0 0 385.262 1.325 10 0 GDAERN Cn1ncc(I)c1CN1CCn2c(nnc2C2CC2)C1 ZINC000894014788 658492720 /nfs/dbraw/zinc/49/27/20/658492720.db2.gz QVRHGCDWJPJXJP-UHFFFAOYSA-N 0 0 384.225 1.509 10 0 GDAERN COC(=O)C[C@H](NC(=O)[C@@H]1OCCN(C)C1=O)c1cccc(Br)c1 ZINC000900339450 659100165 /nfs/dbraw/zinc/10/01/65/659100165.db2.gz OYYRQQSPOYIKNO-JSGCOSHPSA-N 0 0 399.241 1.027 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000708526710 969035706 /nfs/dbraw/zinc/03/57/06/969035706.db2.gz MCQGQJVBABNMPR-QAPCUYQASA-N 0 0 395.525 1.386 10 0 GDAERN CN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000720046141 978024174 /nfs/dbraw/zinc/02/41/74/978024174.db2.gz WISTWYPDUOWGFP-KRWDZBQOSA-N 0 0 383.514 1.624 10 0 GDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000162747718 530570899 /nfs/dbraw/zinc/57/08/99/530570899.db2.gz JQJQRPAVAYCPCL-NSHDSACASA-N 0 0 391.168 1.830 10 0 GDAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000170775769 530588925 /nfs/dbraw/zinc/58/89/25/530588925.db2.gz BLVMXHZVZVGWGJ-KBPBESRZSA-N 0 0 395.253 1.543 10 0 GDAERN Cc1nc(C(=O)NC[C@H]2CN(C)CCO2)nn1-c1c(Cl)cccc1Cl ZINC000170853801 530590283 /nfs/dbraw/zinc/59/02/83/530590283.db2.gz OKRNKOCSBPAZKT-NSHDSACASA-N 0 0 384.267 1.943 10 0 GDAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)N1CCNC(=O)CC1 ZINC000171652448 530601333 /nfs/dbraw/zinc/60/13/33/530601333.db2.gz JXRIYXJSQSJWRA-CYBMUJFWSA-N 0 0 395.301 1.807 10 0 GDAERN CCS(=O)(=O)C[C@H](C)N(C)C[C@H](O)COc1cccc(Br)c1 ZINC000172000208 530606734 /nfs/dbraw/zinc/60/67/34/530606734.db2.gz RKQVAVHYDJPRTA-JSGCOSHPSA-N 0 0 394.331 1.944 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@@H](C)O1 ZINC000026990761 530587543 /nfs/dbraw/zinc/58/75/43/530587543.db2.gz DUISVJMNPXIIRN-RKDXNWHRSA-N 0 0 377.260 1.346 10 0 GDAERN O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173350789 530628549 /nfs/dbraw/zinc/62/85/49/530628549.db2.gz HTXMIZSBADZEAN-AWEZNQCLSA-N 0 0 382.258 1.321 10 0 GDAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3c[nH]c(=O)c(Br)c3)CCO2)n1 ZINC000173655978 530634384 /nfs/dbraw/zinc/63/43/84/530634384.db2.gz GQXSKJIZCKWYNY-CYBMUJFWSA-N 0 0 395.257 1.492 10 0 GDAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173689452 530634650 /nfs/dbraw/zinc/63/46/50/530634650.db2.gz IAQHNHDSWBTHFE-CYBMUJFWSA-N 0 0 378.230 1.843 10 0 GDAERN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000174003894 530641404 /nfs/dbraw/zinc/64/14/04/530641404.db2.gz FDEFHTLWHATMOC-RISCZKNCSA-N 0 0 378.491 1.236 10 0 GDAERN O=C(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)NCC(F)(F)F ZINC000047179793 530656773 /nfs/dbraw/zinc/65/67/73/530656773.db2.gz TUSIIXPHQKHWJX-UHFFFAOYSA-N 0 0 377.388 1.395 10 0 GDAERN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000175398379 530664606 /nfs/dbraw/zinc/66/46/06/530664606.db2.gz WLVLTOTXIDGUDV-LBPRGKRZSA-N 0 0 394.946 1.848 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C ZINC000176849292 530692006 /nfs/dbraw/zinc/69/20/06/530692006.db2.gz INVLUFADUDAUMW-SNVBAGLBSA-N 0 0 375.803 1.736 10 0 GDAERN CC1(C)CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CCS1(=O)=O ZINC000177158606 530698866 /nfs/dbraw/zinc/69/88/66/530698866.db2.gz VSKGKTQEKRWOPV-UHFFFAOYSA-N 0 0 384.523 1.636 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177627736 530706989 /nfs/dbraw/zinc/70/69/89/530706989.db2.gz DVOWUMISRNHONT-SECBINFHSA-N 0 0 382.193 1.249 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000177610887 530707213 /nfs/dbraw/zinc/70/72/13/530707213.db2.gz UAVIYGWLAXRPOA-NWDGAFQWSA-N 0 0 384.274 1.301 10 0 GDAERN O=S(=O)(Cc1ncc(-c2ccccc2Br)o1)C[C@@H](O)CO ZINC000177673636 530708511 /nfs/dbraw/zinc/70/85/11/530708511.db2.gz RVDBFGBNMHFBOT-VIFPVBQESA-N 0 0 376.228 1.372 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177815834 530711644 /nfs/dbraw/zinc/71/16/44/530711644.db2.gz CXXWZNPUWPLYJJ-LLVKDONJSA-N 0 0 388.902 1.568 10 0 GDAERN C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000061039614 530738999 /nfs/dbraw/zinc/73/89/99/530738999.db2.gz OQBXGICOBQBKTD-LLVKDONJSA-N 0 0 390.303 1.845 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)C(C)C ZINC000178739734 530727344 /nfs/dbraw/zinc/72/73/44/530727344.db2.gz YTTIGKMKCGLPOI-LLVKDONJSA-N 0 0 392.200 1.553 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(Br)n1 ZINC000179846117 530752016 /nfs/dbraw/zinc/75/20/16/530752016.db2.gz PLCDVHYSGFUPJF-KGLIPLIRSA-N 0 0 390.237 1.866 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Cl)c(Br)c1 ZINC000179901556 530752576 /nfs/dbraw/zinc/75/25/76/530752576.db2.gz HINHYEPUOPATEU-NSHDSACASA-N 0 0 392.681 1.917 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(F)c(Br)c1 ZINC000179885775 530752622 /nfs/dbraw/zinc/75/26/22/530752622.db2.gz AXMYOXNFTKLQMS-NSHDSACASA-N 0 0 376.226 1.403 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180170586 530759512 /nfs/dbraw/zinc/75/95/12/530759512.db2.gz IVHOURLRTVMOBM-SNVBAGLBSA-N 0 0 390.184 1.403 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000180224481 530760535 /nfs/dbraw/zinc/76/05/35/530760535.db2.gz BXSJDVHIFKYEKR-GFCCVEGCSA-N 0 0 384.223 1.959 10 0 GDAERN CC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)ccc1Br ZINC000180237350 530761239 /nfs/dbraw/zinc/76/12/39/530761239.db2.gz KADVVMIJPHAUHC-NSHDSACASA-N 0 0 391.287 1.261 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@H](N2CCOCC2)C1 ZINC000179622070 530745942 /nfs/dbraw/zinc/74/59/42/530745942.db2.gz LVZANHDUFLSWEP-LBPRGKRZSA-N 0 0 380.246 1.039 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000063982076 530748644 /nfs/dbraw/zinc/74/86/44/530748644.db2.gz FIOVQGPGGLJVGQ-AWEZNQCLSA-N 0 0 384.889 2.369 10 0 GDAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)C1 ZINC000066936857 530769991 /nfs/dbraw/zinc/76/99/91/530769991.db2.gz ZHWQDQYWMXOBAF-RBSFLKMASA-N 0 0 375.560 1.249 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(OC)c(Br)n1 ZINC000181386618 530782251 /nfs/dbraw/zinc/78/22/51/530782251.db2.gz CZQJAEYRFHLHCK-VIFPVBQESA-N 0 0 396.245 1.856 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000182780791 530804836 /nfs/dbraw/zinc/80/48/36/530804836.db2.gz JCMPSWDIVIKKHG-GFCCVEGCSA-N 0 0 398.188 1.570 10 0 GDAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2Br)cn1 ZINC000181700720 530789041 /nfs/dbraw/zinc/78/90/41/530789041.db2.gz WBDHRBDSRHSFKL-ZDUSSCGKSA-N 0 0 385.287 1.518 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)ccc1Br ZINC000181690049 530789291 /nfs/dbraw/zinc/78/92/91/530789291.db2.gz KZQBIPARYMNYDB-OAHLLOKOSA-N 0 0 399.314 1.826 10 0 GDAERN COc1cccc(N2CC[C@H](CNS(=O)(=O)c3ncn(C)c3Cl)C2)c1 ZINC000102414418 530828409 /nfs/dbraw/zinc/82/84/09/530828409.db2.gz CSVYNYHINTVDNW-GFCCVEGCSA-N 0 0 384.889 1.887 10 0 GDAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000184909486 530833804 /nfs/dbraw/zinc/83/38/04/530833804.db2.gz NCMUFWLNVMOWKR-CYBMUJFWSA-N 0 0 384.841 1.767 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000103310862 530834467 /nfs/dbraw/zinc/83/44/67/530834467.db2.gz HLVLGILWYOMSAT-CYBMUJFWSA-N 0 0 389.221 1.714 10 0 GDAERN C[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183681293 530819305 /nfs/dbraw/zinc/81/93/05/530819305.db2.gz HMTOXPYRJAFXGV-DOMZBBRYSA-N 0 0 380.491 1.361 10 0 GDAERN COCc1c(Br)cccc1NC(=O)C(=O)NCc1ccnn1C ZINC000102083254 530826717 /nfs/dbraw/zinc/82/67/17/530826717.db2.gz PHPABIWADUJEFT-UHFFFAOYSA-N 0 0 381.230 1.584 10 0 GDAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC000111361467 530874563 /nfs/dbraw/zinc/87/45/63/530874563.db2.gz LJIKCTVEUJOQRF-AWEZNQCLSA-N 0 0 383.495 1.621 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN2c2nccs2)cc1 ZINC000110624564 530868707 /nfs/dbraw/zinc/86/87/07/530868707.db2.gz QISZELRMLOYBEF-CQSZACIVSA-N 0 0 380.495 1.336 10 0 GDAERN Cc1cc(N2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC2)n[nH]1 ZINC000187247896 530869399 /nfs/dbraw/zinc/86/93/99/530869399.db2.gz PCOHQSWMELVNRB-OAHLLOKOSA-N 0 0 396.264 1.968 10 0 GDAERN Cc1cnn([C@H]2CCCN(C(=O)c3sccc3S(=O)(=O)N(C)C)C2)c1 ZINC000110728463 530870010 /nfs/dbraw/zinc/87/00/10/530870010.db2.gz ZBYMZBNDZGUZKT-ZDUSSCGKSA-N 0 0 382.511 1.981 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000185353059 530841084 /nfs/dbraw/zinc/84/10/84/530841084.db2.gz WEUOFFDMPRBYSR-CQSZACIVSA-N 0 0 382.258 1.593 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000115164436 530898525 /nfs/dbraw/zinc/89/85/25/530898525.db2.gz ADKJOEUFMWKVCR-HNNXBMFYSA-N 0 0 396.285 1.158 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000188760253 530901374 /nfs/dbraw/zinc/90/13/74/530901374.db2.gz WNVZRXBAHSDTRP-BZUAXINKSA-N 0 0 397.269 1.331 10 0 GDAERN CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188830056 530901719 /nfs/dbraw/zinc/90/17/19/530901719.db2.gz DIPHNKJPSHRHOK-UKRRQHHQSA-N 0 0 387.249 1.918 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)COc1ccc(I)cc1 ZINC000188866884 530902617 /nfs/dbraw/zinc/90/26/17/530902617.db2.gz XMGWSXYTVHBARQ-SNVBAGLBSA-N 0 0 388.205 1.407 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000188988464 530905717 /nfs/dbraw/zinc/90/57/17/530905717.db2.gz BSPIBNQLOCZPFR-WOSRLPQWSA-N 0 0 396.285 1.126 10 0 GDAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)o1 ZINC000187586055 530875993 /nfs/dbraw/zinc/87/59/93/530875993.db2.gz REWWHKTYGPYBGM-JSGCOSHPSA-N 0 0 384.479 1.406 10 0 GDAERN C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)c1ccccc1Br ZINC000112229663 530879111 /nfs/dbraw/zinc/87/91/11/530879111.db2.gz NTUKOEDIECTYMN-SNVBAGLBSA-N 0 0 376.214 1.531 10 0 GDAERN COc1ccc(Br)cc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187925134 530880760 /nfs/dbraw/zinc/88/07/60/530880760.db2.gz GTCPAPLGWGKSED-UHFFFAOYSA-N 0 0 389.271 1.357 10 0 GDAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000188097725 530885123 /nfs/dbraw/zinc/88/51/23/530885123.db2.gz XBEJGWSZUVGYRK-UHFFFAOYSA-N 0 0 386.221 1.526 10 0 GDAERN C[C@H]1C(=O)NCCCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000189281563 530911359 /nfs/dbraw/zinc/91/13/59/530911359.db2.gz OPUISUWPTYCUAI-ZDUSSCGKSA-N 0 0 398.301 1.497 10 0 GDAERN O=C(NCCS(=O)(=O)NCC1CCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114830864 530897022 /nfs/dbraw/zinc/89/70/22/530897022.db2.gz IBMMRGBAVOKKDA-CQSZACIVSA-N 0 0 386.543 1.752 10 0 GDAERN CC(C)[C@H](C(=O)N1CCC(Nc2nccs2)CC1)N1CCCS1(=O)=O ZINC000190420362 530929625 /nfs/dbraw/zinc/92/96/25/530929625.db2.gz ZPWQNUPKPGZVSG-CQSZACIVSA-N 0 0 386.543 1.606 10 0 GDAERN Cc1noc(Cl)c1CCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119922555 530933216 /nfs/dbraw/zinc/93/32/16/530933216.db2.gz MMIYINWQVJTAFB-GFCCVEGCSA-N 0 0 375.878 1.596 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)cnc1Cl ZINC000117365688 530912071 /nfs/dbraw/zinc/91/20/71/530912071.db2.gz MJSDEOJFVZWJOZ-UHFFFAOYSA-N 0 0 383.905 1.674 10 0 GDAERN O=C(NC1CN(C(=O)c2ccc(F)c(I)c2)C1)C1CC1 ZINC000189423092 530912685 /nfs/dbraw/zinc/91/26/85/530912685.db2.gz HBJFUAXCGNTDEQ-UHFFFAOYSA-N 0 0 388.180 1.781 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000118115698 530916405 /nfs/dbraw/zinc/91/64/05/530916405.db2.gz HWOIJBGPIWOEEH-JTQLQIEISA-N 0 0 379.766 1.744 10 0 GDAERN O=C(NCCc1ccc(Cl)nc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000121917712 530964112 /nfs/dbraw/zinc/96/41/12/530964112.db2.gz IMMVTBUAUUACHI-CQSZACIVSA-N 0 0 386.905 1.487 10 0 GDAERN Cn1nc(Br)cc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000192187222 530964315 /nfs/dbraw/zinc/96/43/15/530964315.db2.gz 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COCCN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C[C@@H]1C ZINC000193277167 530982636 /nfs/dbraw/zinc/98/26/36/530982636.db2.gz HUISGWRBGNRZPD-NSHDSACASA-N 0 0 399.289 1.270 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)C[C@H]1C ZINC000193277239 530983015 /nfs/dbraw/zinc/98/30/15/530983015.db2.gz WINQRQDUDRANGZ-GFCCVEGCSA-N 0 0 399.289 1.270 10 0 GDAERN CCCCOC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000193357463 530984589 /nfs/dbraw/zinc/98/45/89/530984589.db2.gz FNSIRECTJXWBEX-ZDUSSCGKSA-N 0 0 396.962 1.885 10 0 GDAERN CCOCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccccc1Br ZINC000125367824 531005399 /nfs/dbraw/zinc/00/53/99/531005399.db2.gz QRMSPKOLRMJGBR-LLVKDONJSA-N 0 0 393.303 1.582 10 0 GDAERN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CNC(=O)C1 ZINC000194770345 531010044 /nfs/dbraw/zinc/01/00/44/531010044.db2.gz BAQXQEPORMYWPD-MRVPVSSYSA-N 0 0 377.750 1.892 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000194879473 531011153 /nfs/dbraw/zinc/01/11/53/531011153.db2.gz 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531002780 /nfs/dbraw/zinc/00/27/80/531002780.db2.gz HYHPHXBWJQGIAU-HOCLYGCPSA-N 0 0 392.253 1.877 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C ZINC000246031508 531062334 /nfs/dbraw/zinc/06/23/34/531062334.db2.gz MBKMRMGIFCRUFK-ZJUUUORDSA-N 0 0 375.803 1.470 10 0 GDAERN O=C(c1ccncc1I)N1CCC[C@@H](Cn2cncn2)C1 ZINC000130651371 531062992 /nfs/dbraw/zinc/06/29/92/531062992.db2.gz HMMGDSWUSWCNRA-LLVKDONJSA-N 0 0 397.220 1.830 10 0 GDAERN C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000237397930 531046352 /nfs/dbraw/zinc/04/63/52/531046352.db2.gz VLWONGHXLOCTMS-CZUORRHYSA-N 0 0 387.933 1.307 10 0 GDAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000129582277 531052911 /nfs/dbraw/zinc/05/29/11/531052911.db2.gz FYEWSYRETGGPMA-ZDUSSCGKSA-N 0 0 384.841 1.767 10 0 GDAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000247322849 531074294 /nfs/dbraw/zinc/07/42/94/531074294.db2.gz OUIKWLNUDYMLJT-MNOVXSKESA-N 0 0 377.919 1.375 10 0 GDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(C(C)=O)ccc1Cl)CC2 ZINC000132038693 531077072 /nfs/dbraw/zinc/07/70/72/531077072.db2.gz UIDGBETXOIZQBV-GFCCVEGCSA-N 0 0 382.873 1.990 10 0 GDAERN C[C@H](C[S@@](C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000248457345 531078686 /nfs/dbraw/zinc/07/86/86/531078686.db2.gz OSIMNXMYJYQJFR-GNKUIDOVSA-N 0 0 378.519 1.972 10 0 GDAERN COc1ccnc(N2CCC(C(=O)Nc3cnc(Br)cn3)CC2)n1 ZINC000133313418 531089977 /nfs/dbraw/zinc/08/99/77/531089977.db2.gz MEWIMKWBXXXHDL-UHFFFAOYSA-N 0 0 393.245 1.893 10 0 GDAERN Cc1noc([C@H](C)N2CCN(c3cnn(C)c(=O)c3Br)CC2)n1 ZINC000261456518 531093665 /nfs/dbraw/zinc/09/36/65/531093665.db2.gz KMDHWGGFLUHHPI-VIFPVBQESA-N 0 0 383.250 1.117 10 0 GDAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cn1cc(Br)ccc1=O)CC2 ZINC000134130559 531097698 /nfs/dbraw/zinc/09/76/98/531097698.db2.gz CQVNCXZYOOQXLI-GFCCVEGCSA-N 0 0 394.273 1.457 10 0 GDAERN O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000134640978 531101985 /nfs/dbraw/zinc/10/19/85/531101985.db2.gz 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/nfs/dbraw/zinc/63/55/02/531635502.db2.gz HGSGJBHDBURBFS-UHFFFAOYSA-N 0 0 394.678 1.501 10 0 GDAERN O=C1NCCN1C1CN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000296194593 531666428 /nfs/dbraw/zinc/66/64/28/531666428.db2.gz VUHOKLVVDPNBIC-UHFFFAOYSA-N 0 0 394.678 1.501 10 0 GDAERN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000298826419 531927386 /nfs/dbraw/zinc/92/73/86/531927386.db2.gz SIMCQNFXRFBRAE-HZPDHXFCSA-N 0 0 388.511 1.269 10 0 GDAERN C[C@H]1OCCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H]1C(N)=O ZINC000284433289 531957757 /nfs/dbraw/zinc/95/77/57/531957757.db2.gz FUGAMCDUBJUQEL-HQJQHLMTSA-N 0 0 397.678 1.366 10 0 GDAERN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1Cl ZINC000284585902 531970531 /nfs/dbraw/zinc/97/05/31/531970531.db2.gz HJFCPSVSWXKGOC-JKSUJKDBSA-N 0 0 387.889 1.392 10 0 GDAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000284983408 532015189 /nfs/dbraw/zinc/01/51/89/532015189.db2.gz KNNKROPSHXNFPF-ZIAGYGMSSA-N 0 0 380.388 1.679 10 0 GDAERN Cn1ncc(NC2CCC(N3C(=O)CCC3=O)CC2)c(Br)c1=O ZINC000301812839 532039467 /nfs/dbraw/zinc/03/94/67/532039467.db2.gz BZUXPXOSSICAOV-UHFFFAOYSA-N 0 0 383.246 1.415 10 0 GDAERN COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cc1OC ZINC000285200456 532047040 /nfs/dbraw/zinc/04/70/40/532047040.db2.gz VUTIPSBDUXUJLT-QWHCGFSZSA-N 0 0 390.889 1.451 10 0 GDAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C)c2cc(Br)ccc21 ZINC000329154383 532096838 /nfs/dbraw/zinc/09/68/38/532096838.db2.gz ALVOVTKPFWLRJL-SWLSCSKDSA-N 0 0 382.258 1.214 10 0 GDAERN O=C(c1csc(-c2nc[nH]n2)n1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329297871 532103015 /nfs/dbraw/zinc/10/30/15/532103015.db2.gz UIWIRQRHJNQRCL-NSHDSACASA-N 0 0 378.483 1.108 10 0 GDAERN C[C@@H](NC(=O)N[C@@H]1CCCNC1=O)c1cc2c(cc1Br)OCCO2 ZINC000332712969 532207268 /nfs/dbraw/zinc/20/72/68/532207268.db2.gz CKJIDKVHKWISLO-BXKDBHETSA-N 0 0 398.257 1.859 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000333276412 532228293 /nfs/dbraw/zinc/22/82/93/532228293.db2.gz XAJDWKOCKJKWGE-BFHYXJOUSA-N 0 0 387.527 1.691 10 0 GDAERN O=c1c(Br)c(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cnn1-c1ccccn1 ZINC000333425185 532234228 /nfs/dbraw/zinc/23/42/28/532234228.db2.gz JXBWLLSAGLFFCO-YNEHKIRRSA-N 0 0 391.269 1.987 10 0 GDAERN Cc1noc([C@H]2CN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CCN2C)n1 ZINC000287516961 532220004 /nfs/dbraw/zinc/22/00/04/532220004.db2.gz VFTUHHAPPDXZRH-LLVKDONJSA-N 0 0 392.815 1.987 10 0 GDAERN CS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)Cc2ccccc21 ZINC000333115272 532220356 /nfs/dbraw/zinc/22/03/56/532220356.db2.gz FTCBGIKCBIKMOI-KEYYUXOJSA-N 0 0 384.523 1.787 10 0 GDAERN CN(C)c1cc(NC(=O)N2CCCS(=O)(=O)CC2)ncc1Br ZINC000333601021 532242484 /nfs/dbraw/zinc/24/24/84/532242484.db2.gz CQSZTIQPYUPOGT-UHFFFAOYSA-N 0 0 391.291 1.563 10 0 GDAERN C[C@H]1CC(=O)NN=C1c1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccccc1)C2 ZINC000013885055 212149931 /nfs/dbraw/zinc/14/99/31/212149931.db2.gz CBDKKURJIOWUAX-SUMWQHHRSA-N 0 0 383.473 1.992 10 0 GDAERN COCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)S(C)(=O)=O)c1 ZINC000006711979 533067333 /nfs/dbraw/zinc/06/73/33/533067333.db2.gz SZMVGPPEKTZVBN-INIZCTEOSA-N 0 0 399.513 1.278 10 0 GDAERN Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)cc2)n1 ZINC000004968107 220801591 /nfs/dbraw/zinc/80/15/91/220801591.db2.gz YTOSHTLBQBRSKC-UHFFFAOYSA-N 0 0 387.403 1.833 10 0 GDAERN CN(c1nncc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000012024274 221142960 /nfs/dbraw/zinc/14/29/60/221142960.db2.gz FGCWFNLNNRIUJG-CHWSQXEVSA-N 0 0 388.371 1.152 10 0 GDAERN CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000015064148 221328024 /nfs/dbraw/zinc/32/80/24/221328024.db2.gz GZGBTZMKCGCOHX-QGZVFWFLSA-N 0 0 399.495 1.261 10 0 GDAERN COC(=O)C1=C(N)N(C)c2ccccc2[C@]12C(=O)OC(C)=C2C(=O)OC(C)C ZINC000020569083 221499108 /nfs/dbraw/zinc/49/91/08/221499108.db2.gz RJTNLIRTLFSVOA-HXUWFJFHSA-N 0 0 386.404 1.500 10 0 GDAERN COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000065170354 136159783 /nfs/dbraw/zinc/15/97/83/136159783.db2.gz YODJRSITIMETHQ-OAQYLSRUSA-N 0 0 394.475 1.503 10 0 GDAERN CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)nc1 ZINC000065245779 136161743 /nfs/dbraw/zinc/16/17/43/136161743.db2.gz AVAGIFQRWWKIAZ-UHFFFAOYSA-N 0 0 390.465 1.181 10 0 GDAERN CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nnn3[C@H](C)CC)CC1 ZINC000033023242 221765825 /nfs/dbraw/zinc/76/58/25/221765825.db2.gz HREJBCGHJIATHE-CYBMUJFWSA-N 0 0 393.513 1.939 10 0 GDAERN CC(C)(C)OC(=O)N1CCN(n2cc(I)cn2)CC1 ZINC000071791437 222197228 /nfs/dbraw/zinc/19/72/28/222197228.db2.gz BZOBTKMKJDNSGA-UHFFFAOYSA-N 0 0 378.214 1.676 10 0 GDAERN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)c1cnccn1)CCC2 ZINC000096083039 222379177 /nfs/dbraw/zinc/37/91/77/222379177.db2.gz CZQOYHMSAAKCSO-YWZLYKJASA-N 0 0 396.451 1.189 10 0 GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3cccnc3)nc(-c3cccnc3)n2)CC1 ZINC000073685600 527611277 /nfs/dbraw/zinc/61/12/77/527611277.db2.gz VSMRWAIZMBHTKU-UHFFFAOYSA-N 0 0 376.420 1.807 10 0 GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccncc3)nc(-c3ccncc3)n2)CC1 ZINC000073685583 527611730 /nfs/dbraw/zinc/61/17/30/527611730.db2.gz FEPSASYZNNDMEU-UHFFFAOYSA-N 0 0 376.420 1.807 10 0 GDAERN COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(/C=C/CO)cc2OC)ccc1O ZINC000003650315 560189292 /nfs/dbraw/zinc/18/92/92/560189292.db2.gz FYEZJIXULOZDRT-FMEUAVTJSA-N 0 0 376.405 1.888 10 0 biogenic,in-vitro GDAERN CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OC(C)C ZINC000020609450 570271895 /nfs/dbraw/zinc/27/18/95/570271895.db2.gz JAMDLFINJIKHGK-FQEVSTJZSA-N 0 0 386.404 1.866 10 0 GDAERN CC[C@@H](C)NC(=O)c1coc(CN2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000034677118 570294027 /nfs/dbraw/zinc/29/40/27/570294027.db2.gz ONFKXLYVNJQYQS-CVEARBPZSA-N 0 0 382.505 1.106 10 0 GDAERN CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3nc(CN)nn3c2C)cc1 ZINC000006808279 570609842 /nfs/dbraw/zinc/60/98/42/570609842.db2.gz RVKSGFPFEFMIAY-UHFFFAOYSA-N 0 0 396.451 1.948 10 0 GDAERN CCNC(=O)N1CCC([C@H](NC(=O)CC(C)C)C(=O)N2CCCCC2)CC1 ZINC000036347186 570629195 /nfs/dbraw/zinc/62/91/95/570629195.db2.gz LDCLHRUKWPSYCA-SFHVURJKSA-N 0 0 380.533 1.971 10 0 GDAERN COCc1nnc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)s1 ZINC000033032107 570669518 /nfs/dbraw/zinc/66/95/18/570669518.db2.gz MRILRCDWVOJEKI-ZDUSSCGKSA-N 0 0 376.438 1.846 10 0 GDAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCCn4ncnc43)cc2C[C@H]1C ZINC000176744587 570723531 /nfs/dbraw/zinc/72/35/31/570723531.db2.gz RFHDMADZPAPXRB-ABAIWWIYSA-N 0 0 375.454 1.389 10 0 GDAERN CCn1c(=O)c2ccccc2n([C@@H](C(=O)NCCOC)c2ccccc2)c1=O ZINC000096316722 570895989 /nfs/dbraw/zinc/89/59/89/570895989.db2.gz OWYRJXNYGCCRIB-GOSISDBHSA-N 0 0 381.432 1.535 10 0 GDAERN C[C@@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)N1CCOCC1 ZINC000055238962 644469961 /nfs/dbraw/zinc/46/99/61/644469961.db2.gz MXBOOUHVKQYUHF-VIFPVBQESA-N 0 0 398.710 1.497 10 0 GDAERN Cc1ccc(I)c(C(=O)OCC(=O)N2CCOCC2)c1 ZINC000101712610 644597635 /nfs/dbraw/zinc/59/76/35/644597635.db2.gz LHMSGGPEFNPMDV-UHFFFAOYSA-N 0 0 389.189 1.615 10 0 GDAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCS(=O)(=O)CC1 ZINC000103267434 644602260 /nfs/dbraw/zinc/60/22/60/644602260.db2.gz YFKGFDBCVRIRTM-VMPITWQZSA-N 0 0 380.285 1.480 10 0 GDAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cn1 ZINC000120489015 644671396 /nfs/dbraw/zinc/67/13/96/644671396.db2.gz KPJZFULZTPUTJL-JTQLQIEISA-N 0 0 378.841 1.478 10 0 GDAERN COC(=O)[C@@H]1CCCN(Cn2nc(Br)nc2Br)C1 ZINC000175236459 644904299 /nfs/dbraw/zinc/90/42/99/644904299.db2.gz HLFJSQGYTGFRQI-SSDOTTSWSA-N 0 0 382.056 1.646 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190768121 645023367 /nfs/dbraw/zinc/02/33/67/645023367.db2.gz KDMDVFPKTWYUJF-GFCCVEGCSA-N 0 0 378.230 1.670 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CCN1C[C@H](C)O ZINC000246985440 645097056 /nfs/dbraw/zinc/09/70/56/645097056.db2.gz JBLKPHVAOCPWQD-WCQYABFASA-N 0 0 399.289 1.086 10 0 GDAERN CN(CCNS(=O)(=O)/C=C\c1ccccc1)S(=O)(=O)c1cccs1 ZINC000255662533 645112049 /nfs/dbraw/zinc/11/20/49/645112049.db2.gz PYXUZCQEZLDUIH-LCYFTJDESA-N 0 0 386.520 1.959 10 0 GDAERN Cc1c(I)cccc1C(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000285463688 645187896 /nfs/dbraw/zinc/18/78/96/645187896.db2.gz QVKZCIBXLXWPLK-SKDRFNHKSA-N 0 0 388.205 1.314 10 0 GDAERN CN(C)c1ncccc1O[C@@H]1CCN(c2cnn(C)c(=O)c2Br)C1 ZINC000328724013 645274023 /nfs/dbraw/zinc/27/40/23/645274023.db2.gz YHECTFIBORBTQK-LLVKDONJSA-N 0 0 394.273 1.662 10 0 GDAERN O=S1(=O)CC[C@H]2CN(C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@H]21 ZINC000329196398 645301816 /nfs/dbraw/zinc/30/18/16/645301816.db2.gz USSAKKPXUMHGEO-MISXGVKJSA-N 0 0 380.293 1.852 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000329983018 645337654 /nfs/dbraw/zinc/33/76/54/645337654.db2.gz PHYGKHOVDZVNIY-SNVBAGLBSA-N 0 0 375.397 1.211 10 0 GDAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000367574029 645604228 /nfs/dbraw/zinc/60/42/28/645604228.db2.gz VDMKOVWUYBASKI-OLMNPRSZSA-N 0 0 393.281 1.492 10 0 GDAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@@H](F)C[C@@H]3CO)s2)CC1 ZINC000372553113 645827794 /nfs/dbraw/zinc/82/77/94/645827794.db2.gz AFTFGOXBJLPLAB-QWHCGFSZSA-N 0 0 390.502 1.714 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000702770470 654832758 /nfs/dbraw/zinc/83/27/58/654832758.db2.gz XKVRXLHDTARQDR-RISCZKNCSA-N 0 0 390.889 1.846 10 0 GDAERN C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1cn(C)nn1 ZINC000720545995 654837738 /nfs/dbraw/zinc/83/77/38/654837738.db2.gz CUMBBZJZAABCEG-LURJTMIESA-N 0 0 380.655 1.666 10 0 GDAERN Cn1cc([C@H]2CCCN2C(=O)CSc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000900567153 659121864 /nfs/dbraw/zinc/12/18/64/659121864.db2.gz ZBUPWQZFUCFGEE-OAHLLOKOSA-N 0 0 380.495 1.523 10 0 GDAERN COC[C@@H]1C[C@H](OC)CN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000908093732 659868680 /nfs/dbraw/zinc/86/86/80/659868680.db2.gz RMQLYJCZFAHKLZ-QWRGUYRKSA-N 0 0 376.240 1.381 10 0 GDAERN O=C([O-])C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000701850176 954889994 /nfs/dbraw/zinc/88/99/94/954889994.db2.gz UYSLUZPWURTQHR-KRWDZBQOSA-N 0 0 376.453 1.275 10 0 GDAERN C[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C[C@H]1CC(=O)[O-] ZINC000722613024 978150056 /nfs/dbraw/zinc/15/00/56/978150056.db2.gz CBMAEVLOCTXWGO-KBAYOESNSA-N 0 0 375.469 1.640 10 0 GDAERN C[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C[C@H]1CC(=O)[O-] ZINC000722613030 978150660 /nfs/dbraw/zinc/15/06/60/978150660.db2.gz CBMAEVLOCTXWGO-NXHRZFHOSA-N 0 0 375.469 1.640 10 0 GDAERN Cn1cnc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1Cl ZINC000158464825 530533661 /nfs/dbraw/zinc/53/36/61/530533661.db2.gz CNNWXCXZNIRLNF-JOYOIKCWSA-N 0 0 377.800 1.848 10 0 GDAERN Cn1nccc1C1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000159298924 530542367 /nfs/dbraw/zinc/54/23/67/530542367.db2.gz KPAWOOXDDRUGCR-UHFFFAOYSA-N 0 0 383.495 1.392 10 0 GDAERN O=C(CCNC(=O)c1cccs1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000021497416 530570647 /nfs/dbraw/zinc/57/06/47/530570647.db2.gz ADCDXOMWDQBJTH-ZDUSSCGKSA-N 0 0 378.475 1.903 10 0 GDAERN Cn1nccc1/C=C/C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000031980629 530604532 /nfs/dbraw/zinc/60/45/32/530604532.db2.gz YEIUXLCAWHTAEY-SNAWJCMRSA-N 0 0 380.495 1.464 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000173840698 530638676 /nfs/dbraw/zinc/63/86/76/530638676.db2.gz XJCXZHGCWGYPOC-AWEZNQCLSA-N 0 0 383.495 1.448 10 0 GDAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(Cl)s3)C2=O)n(C)n1 ZINC000174042282 530642367 /nfs/dbraw/zinc/64/23/67/530642367.db2.gz HDDQHAKXZNRUCI-SNVBAGLBSA-N 0 0 388.902 1.917 10 0 GDAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172769097 530617739 /nfs/dbraw/zinc/61/77/39/530617739.db2.gz VZSTYQOFYVKKLE-CYBMUJFWSA-N 0 0 383.290 1.457 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Br)c[nH]3)C2=O)n(C)n1 ZINC000174995233 530657084 /nfs/dbraw/zinc/65/70/84/530657084.db2.gz AXGIVYOOORCFQY-LLVKDONJSA-N 0 0 380.246 1.745 10 0 GDAERN CC(C)OCCS(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000175212112 530660378 /nfs/dbraw/zinc/66/03/78/530660378.db2.gz AYSZDCLPWSIQDM-HNNXBMFYSA-N 0 0 376.544 1.808 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176097120 530677042 /nfs/dbraw/zinc/67/70/42/530677042.db2.gz QHABSOBJPDJFTP-SNVBAGLBSA-N 0 0 382.193 1.770 10 0 GDAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cc(Br)ccc1F ZINC000176749500 530689922 /nfs/dbraw/zinc/68/99/22/530689922.db2.gz MMOPAUIWCOBOTC-SNVBAGLBSA-N 0 0 375.223 1.993 10 0 GDAERN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1cccc(Br)c1 ZINC000053413235 530693109 /nfs/dbraw/zinc/69/31/09/530693109.db2.gz FGIGGYUPSXJSGU-AAEUAGOBSA-N 0 0 383.242 1.648 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1N1CCOCC1 ZINC000176997768 530695345 /nfs/dbraw/zinc/69/53/45/530695345.db2.gz OPAISJWGKVPISM-QWRGUYRKSA-N 0 0 380.297 1.730 10 0 GDAERN O=S(=O)(Cc1ncc(-c2ccccc2Br)o1)C[C@H](O)CO ZINC000177673626 530708308 /nfs/dbraw/zinc/70/83/08/530708308.db2.gz RVDBFGBNMHFBOT-SECBINFHSA-N 0 0 376.228 1.372 10 0 GDAERN C[C@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1N1CCOCC1 ZINC000177969169 530713497 /nfs/dbraw/zinc/71/34/97/530713497.db2.gz KZZXYEASHADYSR-SMDDNHRTSA-N 0 0 399.289 1.332 10 0 GDAERN Cn1cc(Br)cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)c1=O ZINC000177973758 530714189 /nfs/dbraw/zinc/71/41/89/530714189.db2.gz KEHYLFVNLKHOSB-GFCCVEGCSA-N 0 0 385.262 1.086 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000180247186 530761163 /nfs/dbraw/zinc/76/11/63/530761163.db2.gz SSJRMQKJAKUQDO-SWLSCSKDSA-N 0 0 396.285 1.567 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CCN1CCOC ZINC000179725640 530748249 /nfs/dbraw/zinc/74/82/49/530748249.db2.gz RLPZHXNHAFOXIL-LBPRGKRZSA-N 0 0 399.289 1.352 10 0 GDAERN CCC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C[C@H]2C(F)(F)F)c1 ZINC000180723745 530770781 /nfs/dbraw/zinc/77/07/81/530770781.db2.gz BBWHODHJXPJXAL-ZDUSSCGKSA-N 0 0 378.372 1.721 10 0 GDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)c1 ZINC000180721363 530770903 /nfs/dbraw/zinc/77/09/03/530770903.db2.gz FMLRRANXXSETBG-GFCCVEGCSA-N 0 0 398.790 1.984 10 0 GDAERN C[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1cccc(Br)c1 ZINC000180903587 530774052 /nfs/dbraw/zinc/77/40/52/530774052.db2.gz TWFDKNDDHBAYOK-SNVBAGLBSA-N 0 0 380.246 1.962 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000181236093 530780176 /nfs/dbraw/zinc/78/01/76/530780176.db2.gz NKHYOWXTAZZLBH-GFCCVEGCSA-N 0 0 387.278 1.068 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)CS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000181390787 530783053 /nfs/dbraw/zinc/78/30/53/530783053.db2.gz XBLBPIZVOBXFBO-HNNXBMFYSA-N 0 0 382.873 1.020 10 0 GDAERN CC(C)(NCC(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1Br ZINC000181520364 530785686 /nfs/dbraw/zinc/78/56/86/530785686.db2.gz VSXDXJXUEMLAFD-LBPRGKRZSA-N 0 0 382.302 1.998 10 0 GDAERN C[C@@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1Br ZINC000181572446 530786598 /nfs/dbraw/zinc/78/65/98/530786598.db2.gz RZUFTAMPAZIUPW-SECBINFHSA-N 0 0 392.257 1.574 10 0 GDAERN O=C(c1cccc(Br)n1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000180594701 530768440 /nfs/dbraw/zinc/76/84/40/530768440.db2.gz KENRMHOMJITHLA-LLVKDONJSA-N 0 0 388.287 1.484 10 0 GDAERN CCc1nnc(CS(=O)(=O)c2nnc(-c3ccccc3Cl)n2C)n1C ZINC000182813521 530805358 /nfs/dbraw/zinc/80/53/58/530805358.db2.gz TVEBMQLFEIQLEJ-UHFFFAOYSA-N 0 0 380.861 1.800 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000101924797 530826992 /nfs/dbraw/zinc/82/69/92/530826992.db2.gz BIAJCKHACUBTRO-GFCCVEGCSA-N 0 0 376.910 1.555 10 0 GDAERN OCCN(Cc1cc(Br)ccc1F)C[C@H](O)CN1CCOCC1 ZINC000103228758 530833713 /nfs/dbraw/zinc/83/37/13/530833713.db2.gz LXRIQEQVOGFYMD-OAHLLOKOSA-N 0 0 391.281 1.076 10 0 GDAERN COC(=O)[C@@H]1CN(C(=O)N[C@H](C)Cc2cccc(Br)c2)CCO1 ZINC000103310714 530834167 /nfs/dbraw/zinc/83/41/67/530834167.db2.gz YJECNAAIMPCJBG-RISCZKNCSA-N 0 0 385.258 1.964 10 0 GDAERN O=C(NCCNC(=O)c1cccc(Br)c1)N[C@H]1CCCC[C@H]1O ZINC000103312965 530834170 /nfs/dbraw/zinc/83/41/70/530834170.db2.gz QEBIFDOJHNBJMF-UONOGXRCSA-N 0 0 384.274 1.782 10 0 GDAERN CCc1nnc([C@@H]2CN(C(=O)c3c[nH]c(C)c(Br)c3=O)CCO2)[nH]1 ZINC000183219548 530811854 /nfs/dbraw/zinc/81/18/54/530811854.db2.gz SJHMPGGMRWOKSK-JTQLQIEISA-N 0 0 396.245 1.752 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCC[C@H]2CN2CCOCC2)c(=O)c1Br ZINC000183218997 530812005 /nfs/dbraw/zinc/81/20/05/530812005.db2.gz MBYQUKVTPJHDKL-LBPRGKRZSA-N 0 0 384.274 1.795 10 0 GDAERN CCN(CC1CC1)S(=O)(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000183954998 530823358 /nfs/dbraw/zinc/82/33/58/530823358.db2.gz PVQCJZHTNZWXBD-MRXNPFEDSA-N 0 0 387.571 1.996 10 0 GDAERN COc1cc(Br)ccc1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000186165025 530852215 /nfs/dbraw/zinc/85/22/15/530852215.db2.gz PBUUTTAWCFWGLC-LBPRGKRZSA-N 0 0 386.290 1.978 10 0 GDAERN Cc1cnn(C[C@H]2CN(c3ncnc4c3c(Br)nn4C)CCO2)c1 ZINC000108950031 530859858 /nfs/dbraw/zinc/85/98/58/530859858.db2.gz DBPLPERLUNTFRD-LLVKDONJSA-N 0 0 392.261 1.536 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCC[S@@](C)=O)cc1 ZINC000109917680 530865022 /nfs/dbraw/zinc/86/50/22/530865022.db2.gz ZRCXRLCBIUJFBA-GYCJOSAFSA-N 0 0 388.555 1.573 10 0 GDAERN CCc1csc([C@@H]2CCCN(C(=O)c3ccnc(S(N)(=O)=O)c3)C2)n1 ZINC000187091751 530867480 /nfs/dbraw/zinc/86/74/80/530867480.db2.gz JTOAUQBHBSJLIU-GFCCVEGCSA-N 0 0 380.495 1.768 10 0 GDAERN Cc1cc(N2CCN([C@@H](C(N)=O)c3cccc(Br)c3)CC2)n[nH]1 ZINC000187157118 530868299 /nfs/dbraw/zinc/86/82/99/530868299.db2.gz BVXVTJBVXJAMDH-OAHLLOKOSA-N 0 0 378.274 1.829 10 0 GDAERN COCC(=O)NC1CN(C(=O)CCSc2ccccc2Br)C1 ZINC000185262025 530838770 /nfs/dbraw/zinc/83/87/70/530838770.db2.gz YVPZCGVXYNINEK-UHFFFAOYSA-N 0 0 387.299 1.905 10 0 GDAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000104864044 530840549 /nfs/dbraw/zinc/84/05/49/530840549.db2.gz LALINWFZSKRJJX-OAHLLOKOSA-N 0 0 386.901 1.437 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3nc(Br)cs3)C2=O)n(C)n1 ZINC000188896732 530903388 /nfs/dbraw/zinc/90/33/88/530903388.db2.gz IKFADNQIXBZFET-SECBINFHSA-N 0 0 398.286 1.873 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188012186 530882409 /nfs/dbraw/zinc/88/24/09/530882409.db2.gz MSKNNAMAMLIGSQ-UHFFFAOYSA-N 0 0 394.269 1.823 10 0 GDAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000188088680 530885125 /nfs/dbraw/zinc/88/51/25/530885125.db2.gz AJCNPYQQFDMVDN-UHFFFAOYSA-N 0 0 398.232 1.572 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1Br ZINC000188121329 530885599 /nfs/dbraw/zinc/88/55/99/530885599.db2.gz PDUXURACZKMCNU-NSHDSACASA-N 0 0 392.257 1.727 10 0 GDAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Br)ccc1Cl ZINC000113299025 530889010 /nfs/dbraw/zinc/88/90/10/530889010.db2.gz AZLDNMDUQUTXBA-SECBINFHSA-N 0 0 391.678 1.987 10 0 GDAERN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000113305364 530889365 /nfs/dbraw/zinc/88/93/65/530889365.db2.gz UNSXJGKBELJODE-NWDGAFQWSA-N 0 0 392.930 1.601 10 0 GDAERN O=C(NCc1c(F)cc(Br)cc1F)C1CC2(C1)NC(=O)NC2=O ZINC000188459714 530894483 /nfs/dbraw/zinc/89/44/83/530894483.db2.gz KDRFXBQFVZRPBS-UHFFFAOYSA-N 0 0 388.168 1.332 10 0 GDAERN O=C(CNC(=O)c1cccc(Br)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000188544903 530895870 /nfs/dbraw/zinc/89/58/70/530895870.db2.gz CHYWEIXPHWRADB-UHFFFAOYSA-N 0 0 394.269 1.306 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccncc1I)CC2 ZINC000119922976 530932822 /nfs/dbraw/zinc/93/28/22/530932822.db2.gz VDECIOAJOSVXJD-VIFPVBQESA-N 0 0 397.220 1.585 10 0 GDAERN CC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CCN1CCOC ZINC000117372120 530912983 /nfs/dbraw/zinc/91/29/83/530912983.db2.gz NUXHUKRGJNPFAW-CYBMUJFWSA-N 0 0 386.905 1.719 10 0 GDAERN CN1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1=O ZINC000190629540 530934289 /nfs/dbraw/zinc/93/42/89/530934289.db2.gz GHZUTUUFSWGEHB-UHFFFAOYSA-N 0 0 378.479 1.690 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118674083 530918225 /nfs/dbraw/zinc/91/82/25/530918225.db2.gz SAODVRIWYPYLAD-ZDUSSCGKSA-N 0 0 392.257 1.186 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC([C@H](O)c3nccn3C)CC2)c(Cl)n1 ZINC000189749626 530919880 /nfs/dbraw/zinc/91/98/80/530919880.db2.gz CFTZUDFPZVPVPU-AWEZNQCLSA-N 0 0 384.889 1.911 10 0 GDAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cc(Br)nn3C)CC2)n1 ZINC000192093708 530961198 /nfs/dbraw/zinc/96/11/98/530961198.db2.gz CTZCBZISTCNHAT-VIFPVBQESA-N 0 0 383.250 1.393 10 0 GDAERN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000121805748 530962564 /nfs/dbraw/zinc/96/25/64/530962564.db2.gz DVFLSEOJKFYSLP-VXGBXAGGSA-N 0 0 377.268 1.570 10 0 GDAERN Cc1csc(C(=O)NC[C@@H]2CN(C)CCO2)c1I ZINC000190670111 530935016 /nfs/dbraw/zinc/93/50/16/530935016.db2.gz IDJDGWGPXRBVCO-SECBINFHSA-N 0 0 380.251 1.722 10 0 GDAERN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCCN(C)C(=O)C1 ZINC000190639054 530935241 /nfs/dbraw/zinc/93/52/41/530935241.db2.gz JKLYBDLYLQCDRH-SECBINFHSA-N 0 0 388.287 1.320 10 0 GDAERN CC(C)c1ncc(Cl)c(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000120123576 530936353 /nfs/dbraw/zinc/93/63/53/530936353.db2.gz RNDVACAJDNQJAB-LBPRGKRZSA-N 0 0 386.905 1.894 10 0 GDAERN O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000120535770 530942009 /nfs/dbraw/zinc/94/20/09/530942009.db2.gz LZEMGSLFFLTIPJ-CHWSQXEVSA-N 0 0 380.246 1.908 10 0 GDAERN O=C(c1ccncc1I)N1CCC[C@H](Cn2ccnn2)C1 ZINC000120626730 530943311 /nfs/dbraw/zinc/94/33/11/530943311.db2.gz HSCHEIQTEYIOJT-NSHDSACASA-N 0 0 397.220 1.830 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C(C)C ZINC000191235240 530945034 /nfs/dbraw/zinc/94/50/34/530945034.db2.gz DAMSXLLZIHDRND-LLVKDONJSA-N 0 0 392.200 1.553 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000191358686 530947320 /nfs/dbraw/zinc/94/73/20/530947320.db2.gz ZKPHMCLNHFIZMO-TZMCWYRMSA-N 0 0 395.301 1.948 10 0 GDAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000121396598 530955901 /nfs/dbraw/zinc/95/59/01/530955901.db2.gz QBZIHPOTVSLXTM-GZMMTYOYSA-N 0 0 389.271 1.790 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000192889218 530974835 /nfs/dbraw/zinc/97/48/35/530974835.db2.gz ORGJZRARSOZTBM-HUUCEWRRSA-N 0 0 381.270 1.926 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000193389036 530985307 /nfs/dbraw/zinc/98/53/07/530985307.db2.gz ZITALVUHZDKCGJ-LLVKDONJSA-N 0 0 379.218 1.238 10 0 GDAERN Cc1cc(Br)cc(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 ZINC000193310073 530983262 /nfs/dbraw/zinc/98/32/62/530983262.db2.gz ATVSQLUZLLTFRL-HNNXBMFYSA-N 0 0 399.314 1.826 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1c(F)cc(F)cc1Br ZINC000192280862 530966066 /nfs/dbraw/zinc/96/60/66/530966066.db2.gz ULVGDDBJGCNVHI-SNVBAGLBSA-N 0 0 394.216 1.542 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)ccc1Br ZINC000193471445 530987406 /nfs/dbraw/zinc/98/74/06/530987406.db2.gz GYLKPEBNEWICEH-GHMZBOCLSA-N 0 0 399.289 1.005 10 0 GDAERN O=C(NCCNS(=O)(=O)c1cccs1)N1CCC[C@@H]1Cn1ccnc1 ZINC000125529293 531007400 /nfs/dbraw/zinc/00/74/00/531007400.db2.gz YTWZFNAUDNBHSM-CYBMUJFWSA-N 0 0 383.499 1.097 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194874643 531011286 /nfs/dbraw/zinc/01/12/86/531011286.db2.gz WMQNTJZLILITBR-NSHDSACASA-N 0 0 395.257 1.157 10 0 GDAERN 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O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000155995140 531203740 /nfs/dbraw/zinc/20/37/40/531203740.db2.gz JNTDZSBANHLFPK-AWEZNQCLSA-N 0 0 383.297 1.106 10 0 GDAERN C=CC(=O)NCCC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000156696459 531205464 /nfs/dbraw/zinc/20/54/64/531205464.db2.gz IRLDJHNOQQJGNA-ZDUSSCGKSA-N 0 0 383.242 1.862 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Br)o2)n1 ZINC000408028934 531211428 /nfs/dbraw/zinc/21/14/28/531211428.db2.gz RKVKZTMNBHOXEK-MRVPVSSYSA-N 0 0 378.204 1.496 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)sc1Cl ZINC000408030945 531213384 /nfs/dbraw/zinc/21/33/84/531213384.db2.gz JOAKLIJKMAVFEZ-HNNXBMFYSA-N 0 0 392.930 1.848 10 0 GDAERN C[C@@H](C(=O)N1CCN(C)C[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000408114728 531219384 /nfs/dbraw/zinc/21/93/84/531219384.db2.gz ZBGXETRDZNZSLJ-QWRGUYRKSA-N 0 0 394.269 1.596 10 0 GDAERN CC(C)(C(=O)NC1CCC(C(=O)N2CCSCC2)CC1)S(C)(=O)=O ZINC000408150818 531222245 /nfs/dbraw/zinc/22/22/45/531222245.db2.gz SAZBHTRUCOFMCD-UHFFFAOYSA-N 0 0 376.544 1.060 10 0 GDAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000408181405 531223751 /nfs/dbraw/zinc/22/37/51/531223751.db2.gz CGOBJTSWAOCPRQ-GJZGRUSLSA-N 0 0 386.539 1.728 10 0 GDAERN CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408235694 531227181 /nfs/dbraw/zinc/22/71/81/531227181.db2.gz LEDNCNIHYMNCSZ-RRFJBIMHSA-N 0 0 375.535 1.213 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000408271911 531230973 /nfs/dbraw/zinc/23/09/73/531230973.db2.gz SWUCZBCUJUNUOX-QJPTWQEYSA-N 0 0 386.436 1.472 10 0 GDAERN Cn1ccnc1[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CCN1C ZINC000408387020 531236768 /nfs/dbraw/zinc/23/67/68/531236768.db2.gz UBFSIXZMPAVZNF-SNVBAGLBSA-N 0 0 389.275 1.453 10 0 GDAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000408409157 531238904 /nfs/dbraw/zinc/23/89/04/531238904.db2.gz UIKFEARKPXSAQY-JQWIXIFHSA-N 0 0 386.440 1.335 10 0 GDAERN O=S(=O)(N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000280549556 531511845 /nfs/dbraw/zinc/51/18/45/531511845.db2.gz TVYVUNJBLICFNF-SMDDNHRTSA-N 0 0 380.388 1.390 10 0 GDAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCSCC2)C1 ZINC000364067824 531533660 /nfs/dbraw/zinc/53/36/60/531533660.db2.gz ZHWQDQYWMXOBAF-ZNMIVQPWSA-N 0 0 375.560 1.249 10 0 GDAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000270656155 531907063 /nfs/dbraw/zinc/90/70/63/531907063.db2.gz RXAJINQENGERFK-WCBMZHEXSA-N 0 0 378.244 1.676 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cc(Cl)c2O1 ZINC000284780839 531992006 /nfs/dbraw/zinc/99/20/06/531992006.db2.gz WTZUDLUHGDBLGC-RLCCDNCMSA-N 0 0 386.901 1.757 10 0 GDAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCN2C)n1 ZINC000284935872 532008123 /nfs/dbraw/zinc/00/81/23/532008123.db2.gz JFWFTCJOKCGCEK-JTQLQIEISA-N 0 0 376.360 1.473 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H]4CCN(C)C[C@H]43)cc(Cl)c2O1 ZINC000285249735 532055283 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CC(C)n1cc(C[C@@H]2NC(=O)N(CC(=O)N3CCCc4ccccc43)C2=O)nn1 ZINC000328615458 212086130 /nfs/dbraw/zinc/08/61/30/212086130.db2.gz YNGAKRWMXCNEMP-INIZCTEOSA-N 0 0 396.451 1.506 10 0 GDAERN Cn1nccc1N1CCC[C@H](NS(=O)(=O)Cc2noc3ccccc32)C1=O ZINC000328612558 212084247 /nfs/dbraw/zinc/08/42/47/212084247.db2.gz PCUZFLVNFRDTPJ-ZDUSSCGKSA-N 0 0 389.437 1.176 10 0 GDAERN COc1ccccc1-n1ccn(CC(=O)N2CCc3ccccc32)c(=O)c1=O ZINC000067256448 212078014 /nfs/dbraw/zinc/07/80/14/212078014.db2.gz XKIBJLWCHXWJTH-UHFFFAOYSA-N 0 0 377.400 1.597 10 0 GDAERN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000004111687 220682368 /nfs/dbraw/zinc/68/23/68/220682368.db2.gz HEVBSQFJZQQOLR-GFCCVEGCSA-N 0 0 385.445 1.377 10 0 GDAERN CC[C@@H](C)[C@H](C)[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1 ZINC000005651103 220890265 /nfs/dbraw/zinc/89/02/65/220890265.db2.gz KJLLKLRVCJAFRY-BFHDXFOESA-N 0 0 381.907 1.700 10 0 in-man GDAERN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccncc2)cc1C ZINC000012448438 221196966 /nfs/dbraw/zinc/19/69/66/221196966.db2.gz ALCJITXAQIOKPT-SFHVURJKSA-N 0 0 382.464 1.406 10 0 GDAERN CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1cccc(OCCO)c1)CC2 ZINC000014747060 221315898 /nfs/dbraw/zinc/31/58/98/221315898.db2.gz CPLPIBRXDITUNC-UHFFFAOYSA-N 0 0 398.507 1.972 10 0 GDAERN O[C@H]1[C@@H](O)[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)OC[C@@H]1O ZINC000015206568 221334095 /nfs/dbraw/zinc/33/40/95/221334095.db2.gz LXVCKAHHHVVOJV-LDICSKNTSA-N 0 0 378.606 1.402 10 0 GDAERN CCOC[C@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156596 221844825 /nfs/dbraw/zinc/84/48/25/221844825.db2.gz GJTPMOVODJVTJE-CYBMUJFWSA-N 0 0 395.525 1.709 10 0 GDAERN CC(=O)N1CCC([C@@H](NC(=O)c2ccc(F)cc2)C(=O)NCC(C)C)CC1 ZINC000036158068 221844958 /nfs/dbraw/zinc/84/49/58/221844958.db2.gz GQCUWNATIPJBRL-GOSISDBHSA-N 0 0 377.460 1.955 10 0 GDAERN CN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 ZINC000055211200 222018867 /nfs/dbraw/zinc/01/88/67/222018867.db2.gz AIRYVKPQTXKILQ-HNNXBMFYSA-N 0 0 376.457 1.631 10 0 GDAERN CCn1cc(CCN2CCN(S(=O)(=O)c3c[nH]cn3)CC2)c2cccnc21 ZINC000065164812 222104625 /nfs/dbraw/zinc/10/46/25/222104625.db2.gz JATONGRACPEKOC-UHFFFAOYSA-N 0 0 388.497 1.328 10 0 GDAERN Cc1nn2c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)c(C)nc2s1 ZINC000065217246 222110798 /nfs/dbraw/zinc/11/07/98/222110798.db2.gz NHIQDBXTCWMVNA-UHFFFAOYSA-N 0 0 380.451 1.657 10 0 GDAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cnn(CCO)c1 ZINC000058292548 222049610 /nfs/dbraw/zinc/04/96/10/222049610.db2.gz GJRAJFSKYVAOTD-OAHLLOKOSA-N 0 0 392.843 1.781 10 0 GDAERN CC(C)(C)NC(=O)N1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H](C1)O2 ZINC000065225185 222113030 /nfs/dbraw/zinc/11/30/30/222113030.db2.gz BLBYCXMQSZTWQC-OKILXGFUSA-N 0 0 385.461 1.408 10 0 GDAERN C[C@@H]1C[C@H]2[C@@H]3CCC4=C[C@@H](O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO ZINC000065742873 222135195 /nfs/dbraw/zinc/13/51/95/222135195.db2.gz AHCZVAORYHARLA-WYXIDOCBSA-N 0 0 394.483 1.688 10 0 in-vitro GDAERN NC(=O)CN1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000072151829 222212920 /nfs/dbraw/zinc/21/29/20/222212920.db2.gz ZGDGGQPAESWJBF-MRXNPFEDSA-N 0 0 391.899 1.959 10 0 GDAERN CS(=O)(=O)NC[C@@]1(O)CCCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000072166837 222214842 /nfs/dbraw/zinc/21/48/42/222214842.db2.gz PQVNZNXGMKTHHX-GOSISDBHSA-N 0 0 378.498 1.139 10 0 GDAERN Cn1nc([C@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)n(-c2ccccc2)c1=O ZINC000077100541 222274590 /nfs/dbraw/zinc/27/45/90/222274590.db2.gz QWSDOZXJQVZYSZ-HNNXBMFYSA-N 0 0 393.447 1.290 10 0 GDAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCn4nc(C)nc43)ccc21 ZINC000177002994 570724957 /nfs/dbraw/zinc/72/49/57/570724957.db2.gz JEYLJRKDCVDNPI-HNNXBMFYSA-N 0 0 375.454 1.309 10 0 GDAERN CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Sc2ccccn2)O[C@H]1C ZINC000169683490 570784369 /nfs/dbraw/zinc/78/43/69/570784369.db2.gz XBKOQNIEZLQWIR-SSFHUKSJSA-N 0 0 383.422 1.714 10 0 GDAERN Cn1cc(C(N)=O)c([C@@H]2CCCN(S(=O)(=O)c3cc4ccccc4o3)C2)n1 ZINC000583621504 570801938 /nfs/dbraw/zinc/80/19/38/570801938.db2.gz UYUXIYJKADFVRF-CYBMUJFWSA-N 0 0 388.449 1.834 10 0 GDAERN O=C(NCc1ccccn1)[C@H]1CNCCN1C(=O)c1cnc2ccccc2c1 ZINC000072144609 570870991 /nfs/dbraw/zinc/87/09/91/570870991.db2.gz FSZHESUTDKNJJX-LJQANCHMSA-N 0 0 375.432 1.360 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000097015106 570886822 /nfs/dbraw/zinc/88/68/22/570886822.db2.gz KTNVFLPERQAKDU-CYBMUJFWSA-N 0 0 394.453 1.399 10 0 GDAERN CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cnc(N(C)C)nc1)CC2 ZINC000095515427 571083468 /nfs/dbraw/zinc/08/34/68/571083468.db2.gz YAOFVJJVYKRXBB-UHFFFAOYSA-N 0 0 383.500 1.552 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000068337131 644560289 /nfs/dbraw/zinc/56/02/89/644560289.db2.gz FFOQHWNJFNOKME-LLVKDONJSA-N 0 0 383.392 1.718 10 0 GDAERN O=c1c(Cl)c(Cl)cnn1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000118958981 644654696 /nfs/dbraw/zinc/65/46/96/644654696.db2.gz HWXRTTVIVFCZOA-OAHLLOKOSA-N 0 0 383.279 1.859 10 0 GDAERN C[C@@H]1CN(Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C[C@H](C(N)=O)O1 ZINC000120261165 644668800 /nfs/dbraw/zinc/66/88/00/644668800.db2.gz ZUJCHNKQRUVRQZ-ZWNOBZJWSA-N 0 0 381.889 1.804 10 0 GDAERN Cc1cnn(CCNC(=O)c2ccc3ncc(I)n3c2)c1 ZINC000176759090 644913039 /nfs/dbraw/zinc/91/30/39/644913039.db2.gz YTWGWJPCHHOMTE-UHFFFAOYSA-N 0 0 395.204 1.874 10 0 GDAERN CCn1cc([C@@H]2CN(Cn3cc(I)cn3)CCO2)cn1 ZINC000189848522 645016751 /nfs/dbraw/zinc/01/67/51/645016751.db2.gz KZRCFUFOVZBHDM-ZDUSSCGKSA-N 0 0 387.225 1.735 10 0 GDAERN C[C@@H](NC(=O)c1cc(Br)nn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000192050445 645035927 /nfs/dbraw/zinc/03/59/27/645035927.db2.gz IEPMLRJUUSXLBD-MRVPVSSYSA-N 0 0 387.259 1.321 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)c2cc(I)ccc2O)C[C@H]1C ZINC000228545707 645076549 /nfs/dbraw/zinc/07/65/49/645076549.db2.gz RPXROYFPXWMWAO-KCJUWKMLSA-N 0 0 389.189 1.878 10 0 GDAERN O=S(=O)(CC1CCS(=O)(=O)CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000328830819 645280721 /nfs/dbraw/zinc/28/07/21/645280721.db2.gz URWHXEFBEUWYEQ-RYUDHWBXSA-N 0 0 377.450 1.852 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C[C@H]21 ZINC000328906923 645287879 /nfs/dbraw/zinc/28/78/79/645287879.db2.gz LCSSMRBZKFOTBK-OLZOCXBDSA-N 0 0 383.242 1.723 10 0 GDAERN O=C(c1n[nH]c2ccc(Cl)cc21)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000329369758 645308415 /nfs/dbraw/zinc/30/84/15/645308415.db2.gz IKMWTDLNWJDQJK-UHFFFAOYSA-N 0 0 382.873 1.903 10 0 GDAERN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000329576279 645317124 /nfs/dbraw/zinc/31/71/24/645317124.db2.gz KAQILPMHSAPONG-QJPTWQEYSA-N 0 0 377.450 1.852 10 0 GDAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cl)ccc1I ZINC000600587214 652546420 /nfs/dbraw/zinc/54/64/20/652546420.db2.gz RMDGLIXNQFDKMI-QWRGUYRKSA-N 0 0 381.597 1.824 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2ccccc2Cl)C1 ZINC000702762845 654832800 /nfs/dbraw/zinc/83/28/00/654832800.db2.gz GVMZFTIFSKZODT-AAEUAGOBSA-N 0 0 390.889 1.846 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCC[C@H]3C(=O)N(C)C[C@H]32)n1 ZINC000893771277 658446538 /nfs/dbraw/zinc/44/65/38/658446538.db2.gz UZDQPQFUHPRBMF-MWLCHTKSSA-N 0 0 383.246 1.473 10 0 GDAERN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000711746110 955059532 /nfs/dbraw/zinc/05/95/32/955059532.db2.gz WZCHENNGOVZMPA-FUHIMQAGSA-N 0 0 375.469 1.518 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1CC1 ZINC000717972135 977926481 /nfs/dbraw/zinc/92/64/81/977926481.db2.gz AAFQLCDDIBXPTA-KZNAEPCWSA-N 0 0 375.469 1.686 10 0 GDAERN COCc1cnc(C2=NC(=O)[C@](C)(C(C)C)N2)c(C2=NC(=O)[C@](C)(C(C)C)N2)c1 ZINC000504419171 231317825 /nfs/dbraw/zinc/31/78/25/231317825.db2.gz PNRINNCVUOQMTD-SFTDATJTSA-N 0 0 399.495 1.810 10 0 GDAERN Cn1nc(Br)c2c1ncnc2N1CCN(CC2CCCC2)C(=O)C1 ZINC000158331540 530531833 /nfs/dbraw/zinc/53/18/33/530531833.db2.gz OYKCPWJDNYKWCX-UHFFFAOYSA-N 0 0 393.289 1.965 10 0 GDAERN C[C@@H]1CN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000015255122 530561851 /nfs/dbraw/zinc/56/18/51/530561851.db2.gz GRUSUONNYSQTHE-KFWWJZLASA-N 0 0 386.539 1.373 10 0 GDAERN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)cc1Cl ZINC000163026708 530572813 /nfs/dbraw/zinc/57/28/13/530572813.db2.gz CMYMZCDODMQHAI-LLVKDONJSA-N 0 0 383.297 1.273 10 0 GDAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000163911599 530577664 /nfs/dbraw/zinc/57/76/64/530577664.db2.gz MIUDSNRPTGHSAI-GMSGAONNSA-N 0 0 375.244 1.316 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000165215866 530580474 /nfs/dbraw/zinc/58/04/74/530580474.db2.gz VRSZSKWHCUQJDG-CYBMUJFWSA-N 0 0 391.225 1.858 10 0 GDAERN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3C[C@H]3C)c2)CC1 ZINC000171059003 530593174 /nfs/dbraw/zinc/59/31/74/530593174.db2.gz JCDXUEMWPVUEGG-WBMJQRKESA-N 0 0 385.917 1.804 10 0 GDAERN Cc1nc(C[C@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)no1 ZINC000171239639 530596561 /nfs/dbraw/zinc/59/65/61/530596561.db2.gz YEMGWTLLHTZIPE-GFCCVEGCSA-N 0 0 395.257 1.784 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000171431794 530599340 /nfs/dbraw/zinc/59/93/40/530599340.db2.gz MCVOIUSQWZYKLF-OAHLLOKOSA-N 0 0 382.511 1.686 10 0 GDAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[C@H](O)COc1cccc(Br)c1 ZINC000172074747 530607958 /nfs/dbraw/zinc/60/79/58/530607958.db2.gz CTIKFPKOPHETFV-BZPMIXESSA-N 0 0 394.331 1.942 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)COc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000173088990 530623057 /nfs/dbraw/zinc/62/30/57/530623057.db2.gz KFZZGNRMWCZFDL-ZDUSSCGKSA-N 0 0 399.220 1.994 10 0 GDAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3Cl)C2=O)n(C)n1 ZINC000174042251 530642285 /nfs/dbraw/zinc/64/22/85/530642285.db2.gz KTYKCUMITFZGDM-CYBMUJFWSA-N 0 0 382.873 1.856 10 0 GDAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@H](N2CCOCC2)C1 ZINC000172749234 530617573 /nfs/dbraw/zinc/61/75/73/530617573.db2.gz RAAFQGXOQCQEMT-LBPRGKRZSA-N 0 0 379.258 1.872 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066282 530619944 /nfs/dbraw/zinc/61/99/44/530619944.db2.gz ADWWXJROTRNQGQ-SECBINFHSA-N 0 0 396.694 1.739 10 0 GDAERN C[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)Oc1ccccc1Br ZINC000175734886 530669478 /nfs/dbraw/zinc/66/94/78/530669478.db2.gz WLPXPYPTILOBBU-CHWSQXEVSA-N 0 0 386.290 1.846 10 0 GDAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cc(Br)ccc1F ZINC000176749516 530689776 /nfs/dbraw/zinc/68/97/76/530689776.db2.gz MMOPAUIWCOBOTC-JTQLQIEISA-N 0 0 375.223 1.993 10 0 GDAERN COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1cccc(Br)c1 ZINC000053413234 530693047 /nfs/dbraw/zinc/69/30/47/530693047.db2.gz FGIGGYUPSXJSGU-YPMHNXCESA-N 0 0 383.242 1.648 10 0 GDAERN O=C(N[C@@H]1CCCn2ncnc21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000177602998 530705951 /nfs/dbraw/zinc/70/59/51/530705951.db2.gz LXLXLVVTNDCPGP-LLVKDONJSA-N 0 0 381.483 1.389 10 0 GDAERN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000056058437 530714172 /nfs/dbraw/zinc/71/41/72/530714172.db2.gz QMNIGJWPUMNIII-GFCCVEGCSA-N 0 0 392.930 1.602 10 0 GDAERN CS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000177976463 530714428 /nfs/dbraw/zinc/71/44/28/530714428.db2.gz HDOFMQZLYIEDEV-ZDUSSCGKSA-N 0 0 379.404 1.447 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000179483173 530742109 /nfs/dbraw/zinc/74/21/09/530742109.db2.gz VFSIHOZRVHNZGH-KBPBESRZSA-N 0 0 376.210 1.557 10 0 GDAERN O=C(/C=C/c1ccc(I)o1)NC[C@H]1CN2CCN1CC2 ZINC000178653495 530724829 /nfs/dbraw/zinc/72/48/29/530724829.db2.gz HTAPUBMFPBRYBC-FWEMWIAWSA-N 0 0 387.221 1.013 10 0 GDAERN CCc1nnc(CS(=O)(=O)[C@H](C)C(=O)NCc2ccccc2Cl)n1C ZINC000180085362 530757388 /nfs/dbraw/zinc/75/73/88/530757388.db2.gz LKYYHZHZQRVXPM-LLVKDONJSA-N 0 0 384.889 1.651 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cs1 ZINC000180142500 530759324 /nfs/dbraw/zinc/75/93/24/530759324.db2.gz FOFDJEQLNDSVQM-ZWNOBZJWSA-N 0 0 388.417 1.622 10 0 GDAERN CCc1nnc(CS(=O)(=O)c2nnc(C)n2CCc2cccs2)n1C ZINC000179620564 530746035 /nfs/dbraw/zinc/74/60/35/530746035.db2.gz YFKFTKBQEYUGIO-UHFFFAOYSA-N 0 0 380.499 1.556 10 0 GDAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)C1 ZINC000066936855 530770091 /nfs/dbraw/zinc/77/00/91/530770091.db2.gz ZHWQDQYWMXOBAF-QLFBSQMISA-N 0 0 375.560 1.249 10 0 GDAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067046948 530771567 /nfs/dbraw/zinc/77/15/67/530771567.db2.gz YHHWHRPQTRGTDS-SECBINFHSA-N 0 0 399.270 1.162 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000180515837 530767186 /nfs/dbraw/zinc/76/71/86/530767186.db2.gz YLOLUEFLYQEXKI-YPMHNXCESA-N 0 0 386.905 1.546 10 0 GDAERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[C@@H](C)C2 ZINC000180600979 530768541 /nfs/dbraw/zinc/76/85/41/530768541.db2.gz MUPZAVGPJMWOJK-SJCJKPOMSA-N 0 0 380.491 1.854 10 0 GDAERN COc1ccc(C(=O)NCc2cccnc2-n2cncn2)nc1Br ZINC000182749084 530803947 /nfs/dbraw/zinc/80/39/47/530803947.db2.gz INHIEGDQIWFBIK-UHFFFAOYSA-N 0 0 389.213 1.758 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000068897997 530792267 /nfs/dbraw/zinc/79/22/67/530792267.db2.gz HRFNBJBSFPWMNS-CYBMUJFWSA-N 0 0 385.452 1.287 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)CC(=O)NCC(F)(F)F)CC2)cs1 ZINC000181986093 530793088 /nfs/dbraw/zinc/79/30/88/530793088.db2.gz IBZHEZKLTRUGLG-UHFFFAOYSA-N 0 0 378.420 1.554 10 0 GDAERN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)COC2)N1CCSCC1 ZINC000069123460 530795302 /nfs/dbraw/zinc/79/53/02/530795302.db2.gz TVQCSWPMQSCZIL-INIZCTEOSA-N 0 0 382.507 1.445 10 0 GDAERN NC(=O)N[C@H](CC(=O)N1CCN(c2cccs2)C(=O)C1)c1cccs1 ZINC000184352817 530827668 /nfs/dbraw/zinc/82/76/68/530827668.db2.gz KXSDACJNUBFQAN-LLVKDONJSA-N 0 0 378.479 1.785 10 0 GDAERN Cc1cnc([C@@H](C)CNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000184485879 530828653 /nfs/dbraw/zinc/82/86/53/530828653.db2.gz DVVFTRGXEWVZCS-JSGCOSHPSA-N 0 0 386.543 1.765 10 0 GDAERN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)CCS(C)(=O)=O ZINC000102756842 530829608 /nfs/dbraw/zinc/82/96/08/530829608.db2.gz GTBYAIKRRBCDBN-AWEZNQCLSA-N 0 0 376.425 1.222 10 0 GDAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C12CCOCC2 ZINC000185150233 530837036 /nfs/dbraw/zinc/83/70/36/530837036.db2.gz LZMKEJSNRIRYKO-NWDGAFQWSA-N 0 0 377.894 1.634 10 0 GDAERN COC[C@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000103522412 530835398 /nfs/dbraw/zinc/83/53/98/530835398.db2.gz DPXMGWDLVKSASB-JQWIXIFHSA-N 0 0 393.221 1.430 10 0 GDAERN C[C@H](CC1CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000183113265 530809308 /nfs/dbraw/zinc/80/93/08/530809308.db2.gz UYDYHPGGTBGIRB-XFJVYGCCSA-N 0 0 386.901 1.769 10 0 GDAERN C[C@@H](CC1CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000183113246 530809404 /nfs/dbraw/zinc/80/94/04/530809404.db2.gz UYDYHPGGTBGIRB-PEYYIBSZSA-N 0 0 386.901 1.769 10 0 GDAERN Cc1[nH]cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(=O)c1Br ZINC000183219756 530811822 /nfs/dbraw/zinc/81/18/22/530811822.db2.gz VOZNZZFSOMFHLL-GXFFZTMASA-N 0 0 384.274 1.651 10 0 GDAERN Cc1noc(CCNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)n1 ZINC000103781034 530836341 /nfs/dbraw/zinc/83/63/41/530836341.db2.gz MABLSAPSCYIBHP-CYBMUJFWSA-N 0 0 380.857 1.905 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2sccc2Br)n1 ZINC000183745963 530820070 /nfs/dbraw/zinc/82/00/70/530820070.db2.gz QSKLYCBOAGZQAP-SECBINFHSA-N 0 0 394.272 1.964 10 0 GDAERN CNC(=O)[C@H]1CN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000184037880 530823589 /nfs/dbraw/zinc/82/35/89/530823589.db2.gz UYRYNRHVIVYQDT-LLVKDONJSA-N 0 0 379.766 1.744 10 0 GDAERN C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000110604912 530868883 /nfs/dbraw/zinc/86/88/83/530868883.db2.gz RXZPQCYRXCTHSQ-BXUZGUMPSA-N 0 0 380.495 1.637 10 0 GDAERN NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000110684684 530869208 /nfs/dbraw/zinc/86/92/08/530869208.db2.gz REOBOCYQSBQCKM-GHMZBOCLSA-N 0 0 378.281 1.445 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1C)C(C)C ZINC000187240518 530869688 /nfs/dbraw/zinc/86/96/88/530869688.db2.gz ZOGWMYRGEGRFBG-GFCCVEGCSA-N 0 0 388.237 1.722 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000110751188 530870175 /nfs/dbraw/zinc/87/01/75/530870175.db2.gz MPUPPNGGDTWNFV-SSDOTTSWSA-N 0 0 399.192 1.677 10 0 GDAERN O=C(COc1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111076917 530872273 /nfs/dbraw/zinc/87/22/73/530872273.db2.gz UCPWCAQNLVDUGI-HNNXBMFYSA-N 0 0 380.242 1.952 10 0 GDAERN Cc1ncc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 ZINC000111346024 530873753 /nfs/dbraw/zinc/87/37/53/530873753.db2.gz SQHZPDJLXRMCSL-UHFFFAOYSA-N 0 0 379.507 1.893 10 0 GDAERN COCCOCCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570268 530842808 /nfs/dbraw/zinc/84/28/08/530842808.db2.gz DYBOIXVWXHIFDT-UHFFFAOYSA-N 0 0 398.261 1.696 10 0 GDAERN Cc1cccc(N2CCC(NC(=O)c3csc(S(N)(=O)=O)c3)CC2)n1 ZINC000116836716 530908163 /nfs/dbraw/zinc/90/81/63/530908163.db2.gz WVLPSNCKWWQULG-UHFFFAOYSA-N 0 0 380.495 1.498 10 0 GDAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)c1 ZINC000112093819 530877807 /nfs/dbraw/zinc/87/78/07/530877807.db2.gz DHBIVEALRLUQTN-GFCCVEGCSA-N 0 0 375.372 1.699 10 0 GDAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112650877 530883632 /nfs/dbraw/zinc/88/36/32/530883632.db2.gz JDTFDFMMJXFJLW-UWVGGRQHSA-N 0 0 382.251 1.834 10 0 GDAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000188103109 530885866 /nfs/dbraw/zinc/88/58/66/530885866.db2.gz LPIOITJOLTVYFL-LBPRGKRZSA-N 0 0 394.225 1.248 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000188155636 530887408 /nfs/dbraw/zinc/88/74/08/530887408.db2.gz YORPCTCDARBVCN-GFCCVEGCSA-N 0 0 395.257 1.899 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113892685 530891808 /nfs/dbraw/zinc/89/18/08/530891808.db2.gz YHQJZJWESRAEIA-LLVKDONJSA-N 0 0 376.218 1.977 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113892683 530891930 /nfs/dbraw/zinc/89/19/30/530891930.db2.gz YHQJZJWESRAEIA-NSHDSACASA-N 0 0 376.218 1.977 10 0 GDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1cccc(I)c1 ZINC000189337484 530911251 /nfs/dbraw/zinc/91/12/51/530911251.db2.gz DGGWSMVGACBHML-SNVBAGLBSA-N 0 0 387.221 1.440 10 0 GDAERN COC(=O)c1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccc1Br ZINC000190362746 530929255 /nfs/dbraw/zinc/92/92/55/530929255.db2.gz ABQYOINGKACEFH-JTQLQIEISA-N 0 0 394.229 1.964 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N(C)Cc1ccccc1Br ZINC000119936517 530933939 /nfs/dbraw/zinc/93/39/39/530933939.db2.gz WITCXVIMEZUSCO-OAHLLOKOSA-N 0 0 382.302 1.960 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000189478912 530913958 /nfs/dbraw/zinc/91/39/58/530913958.db2.gz HUQAAPQGLMYSSL-LBPRGKRZSA-N 0 0 399.289 1.006 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000189454662 530914271 /nfs/dbraw/zinc/91/42/71/530914271.db2.gz JQBHKTKTCVBQCD-CQSZACIVSA-N 0 0 398.301 1.611 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000118115278 530915932 /nfs/dbraw/zinc/91/59/32/530915932.db2.gz HEDNPGNYPZSYON-SNVBAGLBSA-N 0 0 390.665 1.488 10 0 GDAERN COc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189788363 530920728 /nfs/dbraw/zinc/92/07/28/530920728.db2.gz IFMFXIOLJHDANK-UHFFFAOYSA-N 0 0 382.258 1.703 10 0 GDAERN CC(=O)NC1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000189939932 530922751 /nfs/dbraw/zinc/92/27/51/530922751.db2.gz DNTLDKCCQHFJND-UHFFFAOYSA-N 0 0 383.246 1.308 10 0 GDAERN CC(=O)NC1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000189954482 530923308 /nfs/dbraw/zinc/92/33/08/530923308.db2.gz YSAQUJYZYZETGZ-CYBMUJFWSA-N 0 0 395.301 1.805 10 0 GDAERN CC(=O)NC1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000190204750 530927053 /nfs/dbraw/zinc/92/70/53/530927053.db2.gz UWLAQARFKOFNBJ-UHFFFAOYSA-N 0 0 380.754 1.663 10 0 GDAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cc(Br)nn3C)CC2)n1 ZINC000192121228 530962377 /nfs/dbraw/zinc/96/23/77/530962377.db2.gz MMSYXTZMZNUMHF-SNVBAGLBSA-N 0 0 397.277 1.647 10 0 GDAERN CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000121925131 530964493 /nfs/dbraw/zinc/96/44/93/530964493.db2.gz QUCSABSEEDNYEO-ZDUSSCGKSA-N 0 0 398.301 1.958 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190768314 530936985 /nfs/dbraw/zinc/93/69/85/530936985.db2.gz SKZCZKMDDVADRH-CYBMUJFWSA-N 0 0 378.230 1.670 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190895761 530939856 /nfs/dbraw/zinc/93/98/56/530939856.db2.gz CPGCYADZKQXRFU-LLVKDONJSA-N 0 0 390.184 1.403 10 0 GDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000190981623 530941453 /nfs/dbraw/zinc/94/14/53/530941453.db2.gz CWOJRDJJICLGBZ-SSDOTTSWSA-N 0 0 383.214 1.626 10 0 GDAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cn1 ZINC000121464264 530956840 /nfs/dbraw/zinc/95/68/40/530956840.db2.gz CXYIRVVQFVMKRI-CQSZACIVSA-N 0 0 387.458 1.489 10 0 GDAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cn2)C[C@@H](C)O1 ZINC000192973788 530977178 /nfs/dbraw/zinc/97/71/78/530977178.db2.gz NALVPFKECTUXKO-RKDXNWHRSA-N 0 0 389.193 1.261 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000193030917 530978229 /nfs/dbraw/zinc/97/82/29/530978229.db2.gz NYHKLNNJWZHZQH-LLVKDONJSA-N 0 0 383.246 1.218 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(Br)s1 ZINC000123627386 530985757 /nfs/dbraw/zinc/98/57/57/530985757.db2.gz JMQICAXETJCARZ-SNVBAGLBSA-N 0 0 381.317 1.652 10 0 GDAERN CN(C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000194031278 530998420 /nfs/dbraw/zinc/99/84/20/530998420.db2.gz JQXNIVCLNVBYPZ-OLZOCXBDSA-N 0 0 378.288 1.308 10 0 GDAERN Cc1nc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)sc1Br ZINC000125518359 531007438 /nfs/dbraw/zinc/00/74/38/531007438.db2.gz HXQAGLGOWAKDBG-MRVPVSSYSA-N 0 0 382.305 1.455 10 0 GDAERN CCc1nnc(CSc2nnc(-c3cccs3)n2CCC(N)=O)n1C ZINC000194689466 531008659 /nfs/dbraw/zinc/00/86/59/531008659.db2.gz QEONVEKJXSQOFW-UHFFFAOYSA-N 0 0 377.499 1.865 10 0 GDAERN C[C@H](O)CCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000125792528 531010732 /nfs/dbraw/zinc/01/07/32/531010732.db2.gz WOBZAXOFZNWSNV-KBPBESRZSA-N 0 0 388.917 1.970 10 0 GDAERN O=S(=O)(CCc1cccs1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000195380306 531022058 /nfs/dbraw/zinc/02/20/58/531022058.db2.gz SKXPRPVSDDXKOA-KRWDZBQOSA-N 0 0 380.535 1.629 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2ccnc(Cl)c2I)C1 ZINC000126717399 531022424 /nfs/dbraw/zinc/02/24/24/531022424.db2.gz BATHVKRTSNPXEE-MRVPVSSYSA-N 0 0 395.628 1.400 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1ccc(F)cc1Cl ZINC000195428579 531022678 /nfs/dbraw/zinc/02/26/78/531022678.db2.gz GKKJPBMPWUQXRJ-UHFFFAOYSA-N 0 0 375.813 1.600 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2ccc(I)c(O)c2)C1 ZINC000230891159 531035123 /nfs/dbraw/zinc/03/51/23/531035123.db2.gz SHLOKKLDMHWMPP-SNVBAGLBSA-N 0 0 376.194 1.057 10 0 GDAERN Cc1c(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc(Br)cc1S(N)(=O)=O ZINC000125062974 531002599 /nfs/dbraw/zinc/00/25/99/531002599.db2.gz CLEZZHSLPNLWEA-CABZTGNLSA-N 0 0 391.287 1.702 10 0 GDAERN C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@@H]1N1CCOCC1 ZINC000194362303 531004192 /nfs/dbraw/zinc/00/41/92/531004192.db2.gz STEZHHLDZGUAJW-PVUWLOKVSA-N 0 0 395.297 1.932 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000194402342 531004879 /nfs/dbraw/zinc/00/48/79/531004879.db2.gz YUWTWVOMKACIHZ-SNVBAGLBSA-N 0 0 394.269 1.613 10 0 GDAERN C[C@@H]1CN([C@H](CNS(=O)(=O)CC[C@H]2CCCO2)c2cccs2)CCO1 ZINC000246050834 531062998 /nfs/dbraw/zinc/06/29/98/531062998.db2.gz UKDIWMRVNSTSCZ-BZUAXINKSA-N 0 0 388.555 1.998 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000246191819 531064607 /nfs/dbraw/zinc/06/46/07/531064607.db2.gz IBXSIRBYYXRECX-DOMZBBRYSA-N 0 0 378.491 1.478 10 0 GDAERN CC1(C)[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)[C@H]2CCO[C@H]21 ZINC000246303634 531065658 /nfs/dbraw/zinc/06/56/58/531065658.db2.gz HFLTXFXIUKPAHT-BZHVJNSISA-N 0 0 376.837 1.670 10 0 GDAERN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128088020 531037782 /nfs/dbraw/zinc/03/77/82/531037782.db2.gz IIJGMUMGLBSQEW-NVXWUHKLSA-N 0 0 399.329 1.827 10 0 GDAERN Cn1cc([C@@]2(C)CN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CCO2)cn1 ZINC000129510007 531052237 /nfs/dbraw/zinc/05/22/37/531052237.db2.gz AQVPGKODAIBHPA-OAHLLOKOSA-N 0 0 375.372 1.774 10 0 GDAERN C[C@@H]1COC[C@@H](C)N1C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000130347063 531060046 /nfs/dbraw/zinc/06/00/46/531060046.db2.gz WLEWOXBMPFQHBM-GHMZBOCLSA-N 0 0 383.242 1.810 10 0 GDAERN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000247329414 531074605 /nfs/dbraw/zinc/07/46/05/531074605.db2.gz WTWLUNOFABKCSS-KZNAEPCWSA-N 0 0 377.487 1.954 10 0 GDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000132340527 531079877 /nfs/dbraw/zinc/07/98/77/531079877.db2.gz CABFKQCOOOJCDG-WBMJQRKESA-N 0 0 386.901 1.884 10 0 GDAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000248677698 531081071 /nfs/dbraw/zinc/08/10/71/531081071.db2.gz DLWHXYGCGBXRQF-QWHCGFSZSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000248763531 531081888 /nfs/dbraw/zinc/08/18/88/531081888.db2.gz GUNIOCDTHQMTDR-HYVNUMGLSA-N 0 0 382.551 1.543 10 0 GDAERN Cc1csc([C@H]2CN(C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)CCO2)n1 ZINC000249879458 531089696 /nfs/dbraw/zinc/08/96/96/531089696.db2.gz MZLOBGKGFYSNRQ-HZPDHXFCSA-N 0 0 382.507 1.962 10 0 GDAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1nc2ncc(Br)cn2n1 ZINC000246980545 531071162 /nfs/dbraw/zinc/07/11/62/531071162.db2.gz SZMLNCBHIHLVFS-QJPTWQEYSA-N 0 0 392.257 1.964 10 0 GDAERN O=C(c1ccncc1I)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000135376583 531108438 /nfs/dbraw/zinc/10/84/38/531108438.db2.gz OUNVBQDAUJBBRT-QWHCGFSZSA-N 0 0 388.205 1.706 10 0 GDAERN O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000136088318 531113461 /nfs/dbraw/zinc/11/34/61/531113461.db2.gz PPLKLIJCOFUHJY-UKRRQHHQSA-N 0 0 381.270 1.858 10 0 GDAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000155319063 531199349 /nfs/dbraw/zinc/19/93/49/531199349.db2.gz WOYTZJSGESEVHF-GRBIUAATSA-N 0 0 380.242 1.485 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)CC2 ZINC000156172596 531204271 /nfs/dbraw/zinc/20/42/71/531204271.db2.gz DIXPRABFDNKJHM-SECBINFHSA-N 0 0 395.261 1.438 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)Nc3cc(Br)c(=O)n(C)c3)C2)cn1 ZINC000156273806 531204618 /nfs/dbraw/zinc/20/46/18/531204618.db2.gz ICXZZCDFPGCSFI-JTQLQIEISA-N 0 0 380.246 1.903 10 0 GDAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C[C@H]21 ZINC000408016835 531210685 /nfs/dbraw/zinc/21/06/85/531210685.db2.gz NQPGABXIOQUMEA-NEPJUHHUSA-N 0 0 380.388 1.679 10 0 GDAERN O=C([C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cc(Cl)ccc1F)N1CCOCC1 ZINC000408027912 531211412 /nfs/dbraw/zinc/21/14/12/531211412.db2.gz PTBKAEZDESIULA-YPMHNXCESA-N 0 0 394.827 1.439 10 0 GDAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C[C@H]21 ZINC000408021058 531211966 /nfs/dbraw/zinc/21/19/66/531211966.db2.gz GILRIOIKBVXOHD-CABCVRRESA-N 0 0 387.889 1.257 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000408062231 531215172 /nfs/dbraw/zinc/21/51/72/531215172.db2.gz YHJRTXHOPUQEPD-YOEHRIQHSA-N 0 0 397.269 1.762 10 0 GDAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000408032162 531213074 /nfs/dbraw/zinc/21/30/74/531213074.db2.gz SFDRAZKTNNSCMI-INIZCTEOSA-N 0 0 390.864 1.617 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000408100177 531218618 /nfs/dbraw/zinc/21/86/18/531218618.db2.gz ULERACFYMJVERB-HNNXBMFYSA-N 0 0 386.539 1.566 10 0 GDAERN O=C1CC[C@H](NS(=O)(=O)c2ccc(Br)o2)[C@@H]([C@@H]2CCCO2)N1 ZINC000408207440 531225016 /nfs/dbraw/zinc/22/50/16/531225016.db2.gz RZHOZRKHNYBQNM-RVBZMBCESA-N 0 0 393.259 1.147 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)C[C@H]1N1CCOCC1 ZINC000408216181 531226056 /nfs/dbraw/zinc/22/60/56/531226056.db2.gz VOLKFRYEBUBGQS-GHMZBOCLSA-N 0 0 379.276 1.383 10 0 GDAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000408242811 531228491 /nfs/dbraw/zinc/22/84/91/531228491.db2.gz YLIDIGGETCXJSD-DLBZAZTESA-N 0 0 386.539 1.704 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)ccc1Br ZINC000408325147 531232863 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O=S(=O)(CC1CCS(=O)(=O)CC1)NC1CCC(C(F)(F)F)CC1 ZINC000329219748 532099265 /nfs/dbraw/zinc/09/92/65/532099265.db2.gz SRWLPYXOKDWWAZ-UHFFFAOYSA-N 0 0 377.450 1.852 10 0 GDAERN CCSc1nnc(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 ZINC000329067506 532095803 /nfs/dbraw/zinc/09/58/03/532095803.db2.gz LYKZUJPOUZOUKN-LLVKDONJSA-N 0 0 385.515 1.753 10 0 GDAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000329152008 532097387 /nfs/dbraw/zinc/09/73/87/532097387.db2.gz BBUVPOHYRGQJPE-QWHCGFSZSA-N 0 0 381.523 1.433 10 0 GDAERN CN1CCO[C@@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@H]21 ZINC000332937499 532213244 /nfs/dbraw/zinc/21/32/44/532213244.db2.gz BMNJCSGXQVNULP-SQWLQELKSA-N 0 0 396.285 1.997 10 0 GDAERN CN(CCNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333095408 532219520 /nfs/dbraw/zinc/21/95/20/532219520.db2.gz BQBUFQORDPLRAC-BPXZUEPWSA-N 0 0 390.571 1.545 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)CSc3ccccc32)N(S(C)(=O)=O)C1 ZINC000333226583 532226153 /nfs/dbraw/zinc/22/61/53/532226153.db2.gz SWPBWUDBKQTNCX-VNHYZAJKSA-N 0 0 384.523 1.810 10 0 GDAERN CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000333818982 532251438 /nfs/dbraw/zinc/25/14/38/532251438.db2.gz JLDPYSCEDGKPOG-MELADBBJSA-N 0 0 387.527 1.691 10 0 GDAERN O=C(OCc1ccccc1)N1C[C@H](O)[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]21 ZINC000255973427 212138335 /nfs/dbraw/zinc/13/83/35/212138335.db2.gz GBRJHLWAZWZRJM-CXQPBAHBSA-N 0 0 385.416 1.843 10 0 GDAERN CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012317048 221181577 /nfs/dbraw/zinc/18/15/77/221181577.db2.gz GFBCFULLDHPVJH-GOSISDBHSA-N 0 0 383.496 1.868 10 0 GDAERN C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)C1=O ZINC000012205973 221167999 /nfs/dbraw/zinc/16/79/99/221167999.db2.gz POJXHPWTPUQHKU-NSHDSACASA-N 0 0 388.401 1.980 10 0 GDAERN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccncc1 ZINC000012434498 221192796 /nfs/dbraw/zinc/19/27/96/221192796.db2.gz VZFMOGZNGGFCKL-GOSISDBHSA-N 0 0 382.464 1.487 10 0 GDAERN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(C)o2)cc1 ZINC000012710625 221220030 /nfs/dbraw/zinc/22/00/30/221220030.db2.gz CAYCYNBSKVLTON-IBGZPJMESA-N 0 0 385.464 1.994 10 0 GDAERN CCn1cnnc1CN(C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000015066455 221328689 /nfs/dbraw/zinc/32/86/89/221328689.db2.gz VNNZZTQEECNSNA-INIZCTEOSA-N 0 0 387.459 1.877 10 0 GDAERN Cc1csc([C@H](Cc2ccsc2)NC(=O)c2cc(=O)n(C)c(=O)n2C)n1 ZINC000019240193 221403327 /nfs/dbraw/zinc/40/33/27/221403327.db2.gz IYPZGVHFLWHNGY-LBPRGKRZSA-N 0 0 390.490 1.624 10 0 GDAERN O=C(Nc1ncccn1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000020353944 221483847 /nfs/dbraw/zinc/48/38/47/221483847.db2.gz QDRQTHRQLBEWHC-INIZCTEOSA-N 0 0 393.447 1.707 10 0 GDAERN CCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncccc1C(=O)NC)CC2 ZINC000095531092 136182032 /nfs/dbraw/zinc/18/20/32/136182032.db2.gz ASIFOEYDMKCHOP-UHFFFAOYSA-N 0 0 382.468 1.455 10 0 GDAERN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O ZINC000021781164 221541524 /nfs/dbraw/zinc/54/15/24/221541524.db2.gz ZZMNCCRGZIKGGR-IBGZPJMESA-N 0 0 376.457 1.743 10 0 GDAERN CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262311 221779605 /nfs/dbraw/zinc/77/96/05/221779605.db2.gz JLLMPLGQRJOMTQ-CYBMUJFWSA-N 0 0 380.470 1.939 10 0 GDAERN COc1ccc2[nH]cc(CCNC(=O)Cn3nc(C)c4c(C)onc4c3=O)c2c1 ZINC000035397051 221820192 /nfs/dbraw/zinc/82/01/92/221820192.db2.gz NNCCZTZHKJTXHK-UHFFFAOYSA-N 0 0 395.419 1.850 10 0 GDAERN COCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)c2c(C)onc2c1=O ZINC000064842090 222084847 /nfs/dbraw/zinc/08/48/47/222084847.db2.gz YCMHHGYUVIECLK-UHFFFAOYSA-N 0 0 376.800 1.776 10 0 GDAERN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3c(C)noc3C)C1)C(=O)N2C ZINC000065249433 222115649 /nfs/dbraw/zinc/11/56/49/222115649.db2.gz HHANCALKVPTAOU-SFHVURJKSA-N 0 0 391.449 1.609 10 0 GDAERN CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc21 ZINC000082039420 222306313 /nfs/dbraw/zinc/30/63/13/222306313.db2.gz WVAAGHGWNMZOON-LJQANCHMSA-N 0 0 383.492 1.665 10 0 GDAERN CC(=O)O[C@H]1[C@H](OC(C)=O)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O ZINC000095921448 222361119 /nfs/dbraw/zinc/36/11/19/222361119.db2.gz MMMFFJBLSNOZRA-PXRSPZQOSA-N 0 0 394.376 1.252 10 0 GDAERN COc1cccc(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(CC(C)C)S4(=O)=O)(C2)O3)c1 ZINC000096264071 222406264 /nfs/dbraw/zinc/40/62/64/222406264.db2.gz YYYXHBAPZXVLAP-AOIWGVFYSA-N 0 0 394.493 1.349 10 0 GDAERN O=C(Nc1ccc2c(c1)OCCO2)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096400234 222420202 /nfs/dbraw/zinc/42/02/02/222420202.db2.gz AWDNZRLXKPMPTO-UHFFFAOYSA-N 0 0 381.323 1.733 10 0 GDAERN CCCCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OC ZINC000020583423 570269132 /nfs/dbraw/zinc/26/91/32/570269132.db2.gz QDGDMYRUMVJFMG-HXUWFJFHSA-N 0 0 386.404 1.407 10 0 GDAERN COCCNC(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036347163 570407170 /nfs/dbraw/zinc/40/71/70/570407170.db2.gz FCGMQWOUKYCZCC-LJQANCHMSA-N 0 0 397.560 1.955 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc2c1OCCO2 ZINC000268504587 570542362 /nfs/dbraw/zinc/54/23/62/570542362.db2.gz PSIPFUXJORHBRY-LLVKDONJSA-N 0 0 380.426 1.009 10 0 GDAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000275280442 570689765 /nfs/dbraw/zinc/68/97/65/570689765.db2.gz KKTMRQPJCONSOQ-SMDDNHRTSA-N 0 0 392.441 1.119 10 0 GDAERN O=C(NCCCN1CCOCC1)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061140 570747769 /nfs/dbraw/zinc/74/77/69/570747769.db2.gz UWYAIJJAODMVAD-UHFFFAOYSA-N 0 0 375.454 1.243 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc2cccnc21 ZINC000097015113 570886608 /nfs/dbraw/zinc/88/66/08/570886608.db2.gz DFAJYGNSBMVHIF-HNNXBMFYSA-N 0 0 387.465 1.927 10 0 GDAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccnc(Br)c3)C2=O)n(C)n1 ZINC000176668542 644911768 /nfs/dbraw/zinc/91/17/68/644911768.db2.gz DCQKMJVPPJYGOG-LBPRGKRZSA-N 0 0 392.257 1.811 10 0 GDAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000182530010 644962028 /nfs/dbraw/zinc/96/20/28/644962028.db2.gz MBGUWFCTWBHDFZ-LLVKDONJSA-N 0 0 375.834 1.846 10 0 GDAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)nn2C)ncn1 ZINC000192139039 645037384 /nfs/dbraw/zinc/03/73/84/645037384.db2.gz LOZBXNAFYLSETN-SNVBAGLBSA-N 0 0 394.277 1.413 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000193575677 645053699 /nfs/dbraw/zinc/05/36/99/645053699.db2.gz KDOIXLRLCCLLJE-NSHDSACASA-N 0 0 378.372 1.721 10 0 GDAERN CCOC(=O)N1CCN(C(=O)c2nn3c(c2Br)OCCC3)CC1 ZINC000223793717 645074700 /nfs/dbraw/zinc/07/47/00/645074700.db2.gz QHPPSOLLFQIPDI-UHFFFAOYSA-N 0 0 387.234 1.342 10 0 GDAERN C[C@H](C(=O)Nc1sccc1C(N)=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249559382 645103181 /nfs/dbraw/zinc/10/31/81/645103181.db2.gz LCGJXDKWDQMIJG-OSMZGAPFSA-N 0 0 379.507 1.943 10 0 GDAERN Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)/C=C\c2ccccc2)s1 ZINC000255893122 645113057 /nfs/dbraw/zinc/11/30/57/645113057.db2.gz DTOLQXCJCZUEIG-XFXZXTDPSA-N 0 0 386.520 1.925 10 0 GDAERN CCNC(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000301451859 645236357 /nfs/dbraw/zinc/23/63/57/645236357.db2.gz UQRPYJVCLZTYDU-SNVBAGLBSA-N 0 0 379.404 1.705 10 0 GDAERN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)C2CCS(=O)(=O)CC2)C12CCCC2 ZINC000329540601 645316002 /nfs/dbraw/zinc/31/60/02/645316002.db2.gz WSEZXCJXRKEBRH-LSDHHAIUSA-N 0 0 379.544 1.563 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000368826069 645626681 /nfs/dbraw/zinc/62/66/81/645626681.db2.gz ZMWKKLWTKREZKS-KGLIPLIRSA-N 0 0 385.511 1.028 10 0 GDAERN CCCN(CCC)S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702859472 654832966 /nfs/dbraw/zinc/83/29/66/654832966.db2.gz KYJDUWNGTPZCBN-KBPBESRZSA-N 0 0 379.523 1.171 10 0 GDAERN C[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1cc(=O)[nH][nH]1 ZINC000898868510 658962818 /nfs/dbraw/zinc/96/28/18/658962818.db2.gz GYIUBKUOGGJIML-ZETCQYMHSA-N 0 0 387.259 1.889 10 0 GDAERN CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)c1 ZINC000899078784 658982518 /nfs/dbraw/zinc/98/25/18/658982518.db2.gz FMSLNYXURMVUJR-NSHDSACASA-N 0 0 381.483 1.212 10 0 GDAERN O=C([O-])CS(=O)(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714983996 969080300 /nfs/dbraw/zinc/08/03/00/969080300.db2.gz IQBGZHBKLBQVFV-QZTJIDSGSA-N 0 0 380.510 1.472 10 0 GDAERN O=C([O-])c1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000705793654 977293622 /nfs/dbraw/zinc/29/36/22/977293622.db2.gz KSPCXQLKRHVUSK-QGZVFWFLSA-N 0 0 396.490 1.362 10 0 GDAERN O=S(=O)(Cc1ccccc1CN1CCOCS1(=O)=O)c1ccccc1 ZINC000091468445 230962949 /nfs/dbraw/zinc/96/29/49/230962949.db2.gz GPUNOVXAEYGULN-UHFFFAOYSA-N 0 0 381.475 1.780 10 0 GDAERN O=C(c1cc(F)c(F)c(F)c1F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000162658943 530570113 /nfs/dbraw/zinc/57/01/13/530570113.db2.gz FJXHHCKICNFLJD-SECBINFHSA-N 0 0 380.363 1.883 10 0 GDAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000163479976 530575409 /nfs/dbraw/zinc/57/54/09/530575409.db2.gz YIIYCDARJXZLPQ-VIFPVBQESA-N 0 0 398.648 1.764 10 0 GDAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000170772462 530589133 /nfs/dbraw/zinc/58/91/33/530589133.db2.gz KMGIMEUUEQPEII-RYUDHWBXSA-N 0 0 379.214 1.837 10 0 GDAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)CC1)c1cccs1 ZINC000170894702 530590999 /nfs/dbraw/zinc/59/09/99/530590999.db2.gz ISPVZBVDELJIBI-HNNXBMFYSA-N 0 0 376.503 1.680 10 0 GDAERN CN1CCO[C@@H](CNS(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000171107155 530594281 /nfs/dbraw/zinc/59/42/81/530594281.db2.gz BDWJRLVXDMJPJP-MRZGDXHCSA-N 0 0 375.288 1.670 10 0 GDAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000171511152 530600147 /nfs/dbraw/zinc/60/01/47/530600147.db2.gz MJNNATLJUXFKBY-RDJZCZTQSA-N 0 0 396.285 1.786 10 0 GDAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172010072 530606699 /nfs/dbraw/zinc/60/66/99/530606699.db2.gz KSMWWOUURLUFBN-IINYFYTJSA-N 0 0 376.425 1.269 10 0 GDAERN CCc1csc([C@@H]2CCCN(C(=O)NCCS(=O)(=O)NC(C)C)C2)n1 ZINC000172257545 530610904 /nfs/dbraw/zinc/61/09/04/530610904.db2.gz IYLYTFLBPZODJD-CYBMUJFWSA-N 0 0 388.559 1.922 10 0 GDAERN O=C(NCCSC(F)(F)F)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172449371 530613130 /nfs/dbraw/zinc/61/31/30/530613130.db2.gz RUGKLKGHCQWBCT-UHFFFAOYSA-N 0 0 375.380 1.209 10 0 GDAERN O[C@H](COc1cccc(Br)c1)CN1CCN(c2cccnn2)CC1 ZINC000170648790 530586728 /nfs/dbraw/zinc/58/67/28/530586728.db2.gz RSTDMLLVOKEAKC-HNNXBMFYSA-N 0 0 393.285 1.801 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000027194073 530588037 /nfs/dbraw/zinc/58/80/37/530588037.db2.gz AIVVBJOLGRAYOA-MRVPVSSYSA-N 0 0 379.770 1.459 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000173350844 530628465 /nfs/dbraw/zinc/62/84/65/530628465.db2.gz GGMLMSKFAIIGJM-AWEZNQCLSA-N 0 0 396.285 1.629 10 0 GDAERN C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000173401562 530629637 /nfs/dbraw/zinc/62/96/37/530629637.db2.gz HOMSIGCJEPQSRN-MLGOLLRUSA-N 0 0 386.901 1.536 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173697383 530634669 /nfs/dbraw/zinc/63/46/69/530634669.db2.gz WORSTZJFRHBWOI-NSHDSACASA-N 0 0 396.220 1.982 10 0 GDAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)n1 ZINC000173790938 530636864 /nfs/dbraw/zinc/63/68/64/530636864.db2.gz FFUVOVHTPAZMPI-LBPRGKRZSA-N 0 0 394.273 1.898 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)C[C@H]1N1CCOCC1 ZINC000173821447 530637963 /nfs/dbraw/zinc/63/79/63/530637963.db2.gz YQCPMDQFCALXAQ-SWLSCSKDSA-N 0 0 397.317 1.703 10 0 GDAERN CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000173835892 530638497 /nfs/dbraw/zinc/63/84/97/530638497.db2.gz HFGRFQWGXUDYFR-HNNXBMFYSA-N 0 0 383.495 1.281 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)s1 ZINC000173984447 530640791 /nfs/dbraw/zinc/64/07/91/530640791.db2.gz IDZRMQBMRAAAQD-CYBMUJFWSA-N 0 0 383.499 1.044 10 0 GDAERN Cn1cc(N2CCN(C[C@H](O)COc3cccc(Br)c3)CC2)cn1 ZINC000173962000 530640804 /nfs/dbraw/zinc/64/08/04/530640804.db2.gz WFEHXTGODBFDAU-INIZCTEOSA-N 0 0 395.301 1.745 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000174040036 530642249 /nfs/dbraw/zinc/64/22/49/530642249.db2.gz XRHKJFAXQAMQNS-OAHLLOKOSA-N 0 0 396.285 1.112 10 0 GDAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(Cl)nc3)C2=O)n(C)n1 ZINC000174043059 530642406 /nfs/dbraw/zinc/64/24/06/530642406.db2.gz IPZBAGLJFWLTAC-LBPRGKRZSA-N 0 0 383.861 1.251 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000176284028 530681002 /nfs/dbraw/zinc/68/10/02/530681002.db2.gz CNHCVEQVSUCIDY-GFCCVEGCSA-N 0 0 383.861 1.876 10 0 GDAERN CC(C)OCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175222331 530661263 /nfs/dbraw/zinc/66/12/63/530661263.db2.gz CUXKHOBIJPCPQV-CABCVRRESA-N 0 0 376.544 1.854 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)NCc3nc(C(F)(F)F)cs3)CCO2)[nH]1 ZINC000175571031 530667749 /nfs/dbraw/zinc/66/77/49/530667749.db2.gz XKSQAZCRAXPWTP-QMMMGPOBSA-N 0 0 376.364 1.872 10 0 GDAERN Cc1csc(NC(=O)C(=O)N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000176020286 530674993 /nfs/dbraw/zinc/67/49/93/530674993.db2.gz LYSIMERUVGLPOE-UHFFFAOYSA-N 0 0 378.479 1.826 10 0 GDAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CCc2ccc(Br)cc21 ZINC000176100681 530677196 /nfs/dbraw/zinc/67/71/96/530677196.db2.gz JTHYNYBQTFBNKL-LBPRGKRZSA-N 0 0 390.241 1.581 10 0 GDAERN Cc1ccc([C@H](CNC(=O)CS(=O)(=O)CC(C)C)N2CCOCC2)s1 ZINC000176570496 530685976 /nfs/dbraw/zinc/68/59/76/530685976.db2.gz LTEFOQYATLDMNK-HNNXBMFYSA-N 0 0 388.555 1.617 10 0 GDAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1Cl ZINC000176747392 530690029 /nfs/dbraw/zinc/69/00/29/530690029.db2.gz TVATUYXPBWCSRR-LLVKDONJSA-N 0 0 387.824 1.842 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1N1CCOCC1 ZINC000176997750 530695510 /nfs/dbraw/zinc/69/55/10/530695510.db2.gz OPAISJWGKVPISM-MNOVXSKESA-N 0 0 380.297 1.730 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177605435 530706307 /nfs/dbraw/zinc/70/63/07/530706307.db2.gz QRLIIOWDNVELAG-QWHCGFSZSA-N 0 0 398.301 1.610 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000177607163 530706512 /nfs/dbraw/zinc/70/65/12/530706512.db2.gz ZZIHMDWFORVOLU-CHWSQXEVSA-N 0 0 398.301 1.610 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000177638925 530707703 /nfs/dbraw/zinc/70/77/03/530707703.db2.gz JPJKDONSHGYCHP-LBPRGKRZSA-N 0 0 392.257 1.673 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1)CC2 ZINC000177643502 530707798 /nfs/dbraw/zinc/70/77/98/530707798.db2.gz LSVOJDWIQMZGII-GFCCVEGCSA-N 0 0 392.257 1.673 10 0 GDAERN NS(=O)(=O)Cc1ccc(C(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000176481124 530684312 /nfs/dbraw/zinc/68/43/12/530684312.db2.gz AZMKEKCJTMANMW-UHFFFAOYSA-N 0 0 379.507 1.935 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)c3cnn4cc(Br)cnc34)C2)cn1 ZINC000179578822 530744689 /nfs/dbraw/zinc/74/46/89/530744689.db2.gz FXNQHHMSZLILKC-JTQLQIEISA-N 0 0 375.230 1.855 10 0 GDAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178703727 530725892 /nfs/dbraw/zinc/72/58/92/530725892.db2.gz XDSAHDCFDFTSTQ-ZDUSSCGKSA-N 0 0 381.420 1.787 10 0 GDAERN CC(C)[C@H](O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000178863513 530729295 /nfs/dbraw/zinc/72/92/95/530729295.db2.gz AQRSJDFMSLSQSL-LLVKDONJSA-N 0 0 380.919 1.641 10 0 GDAERN Cc1nnc([C@H](NS(=O)(=O)c2cc(Cl)cnc2N)c2ccccc2)[nH]1 ZINC000178950157 530732348 /nfs/dbraw/zinc/73/23/48/530732348.db2.gz SMYFWZMBVHQYLZ-CYBMUJFWSA-N 0 0 378.845 1.812 10 0 GDAERN CC(C)(C)c1noc(CS(=O)(=O)CC(=O)N2CCc3sccc3C2)n1 ZINC000058622112 530732858 /nfs/dbraw/zinc/73/28/58/530732858.db2.gz SHURFEZEANSYKN-UHFFFAOYSA-N 0 0 383.495 1.928 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Br)c(F)c1 ZINC000179881143 530752211 /nfs/dbraw/zinc/75/22/11/530752211.db2.gz AHUCZMSBCWCNIG-LLVKDONJSA-N 0 0 376.226 1.403 10 0 GDAERN CCc1nnc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2Cl)n1C ZINC000180086408 530757310 /nfs/dbraw/zinc/75/73/10/530757310.db2.gz VHQSWJTWHSYZMB-LLVKDONJSA-N 0 0 384.889 1.823 10 0 GDAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000180094117 530757601 /nfs/dbraw/zinc/75/76/01/530757601.db2.gz VJWZMBROSNGQEW-UHFFFAOYSA-N 0 0 390.918 1.895 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000180226261 530760938 /nfs/dbraw/zinc/76/09/38/530760938.db2.gz CCPMEJJVHZDZGS-GFCCVEGCSA-N 0 0 394.229 1.414 10 0 GDAERN CCOCCN1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1C ZINC000179584928 530745328 /nfs/dbraw/zinc/74/53/28/530745328.db2.gz SWDOGTQQRUMLPC-LBPRGKRZSA-N 0 0 396.289 1.675 10 0 GDAERN O=C(c1nc2ncc(Br)cn2n1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181357993 530782201 /nfs/dbraw/zinc/78/22/01/530782201.db2.gz KRXCUYHZTNNJDX-VIFPVBQESA-N 0 0 377.206 1.372 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cnc1Br ZINC000182804447 530804539 /nfs/dbraw/zinc/80/45/39/530804539.db2.gz IWFUZDKKZYSNTA-GFCCVEGCSA-N 0 0 393.245 1.546 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cnc1Br ZINC000182799947 530804774 /nfs/dbraw/zinc/80/47/74/530804774.db2.gz KUGOMNQJDLHKFY-CYBMUJFWSA-N 0 0 397.273 1.024 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000102156084 530827386 /nfs/dbraw/zinc/82/73/86/530827386.db2.gz IOCGNTWDDGOTOQ-UHFFFAOYSA-N 0 0 377.875 1.611 10 0 GDAERN O=C(c1ccc(I)cc1Cl)N1CCNC(=O)CC1 ZINC000102752622 530829374 /nfs/dbraw/zinc/82/93/74/530829374.db2.gz MRGBMDZKNDMRHV-UHFFFAOYSA-N 0 0 378.597 1.907 10 0 GDAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cscn2)C1 ZINC000102896640 530830794 /nfs/dbraw/zinc/83/07/94/530830794.db2.gz XHFSXTLXDNJZOM-GFCCVEGCSA-N 0 0 383.499 1.200 10 0 GDAERN CN(C[C@@H]1CCCO1)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000102905421 530831003 /nfs/dbraw/zinc/83/10/03/530831003.db2.gz XNKOOGMZKBNUAQ-AWEZNQCLSA-N 0 0 384.274 1.999 10 0 GDAERN O=C(CNS(=O)(=O)c1cccs1)N1CCCN(c2ccccn2)CC1 ZINC000184233873 530824970 /nfs/dbraw/zinc/82/49/70/530824970.db2.gz IUQLJIGEELZPDW-UHFFFAOYSA-N 0 0 380.495 1.160 10 0 GDAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106189357 530846983 /nfs/dbraw/zinc/84/69/83/530846983.db2.gz RUKGCGNETWVMMW-GJZGRUSLSA-N 0 0 379.258 1.573 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000185793401 530847032 /nfs/dbraw/zinc/84/70/32/530847032.db2.gz WODNSBUDSHLLBZ-JTQLQIEISA-N 0 0 387.259 1.343 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)cc2Br)C1)C1CCC1 ZINC000186186837 530852954 /nfs/dbraw/zinc/85/29/54/530852954.db2.gz JRWPAJJCVCTOPN-UHFFFAOYSA-N 0 0 391.262 1.877 10 0 GDAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(n2cncn2)CC1 ZINC000108263823 530856145 /nfs/dbraw/zinc/85/61/45/530856145.db2.gz SUAULPKOOXKWDQ-UHFFFAOYSA-N 0 0 376.410 1.813 10 0 GDAERN CCO[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C12CCOCC2 ZINC000186459754 530856358 /nfs/dbraw/zinc/85/63/58/530856358.db2.gz VIDAPQHLRWWSAL-STQMWFEESA-N 0 0 385.258 1.841 10 0 GDAERN C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000110604903 530869038 /nfs/dbraw/zinc/86/90/38/530869038.db2.gz RXZPQCYRXCTHSQ-FZMZJTMJSA-N 0 0 380.495 1.637 10 0 GDAERN O=C(Cn1cnnn1)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000110751130 530870114 /nfs/dbraw/zinc/87/01/14/530870114.db2.gz XPPYJKFORGCPIC-UHFFFAOYSA-N 0 0 395.164 1.307 10 0 GDAERN O=C(NCCSCCOc1cccc(Br)c1)[C@H]1CNC(=O)C1 ZINC000111108635 530872109 /nfs/dbraw/zinc/87/21/09/530872109.db2.gz IAYIUYLVQKPIRK-LLVKDONJSA-N 0 0 387.299 1.813 10 0 GDAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084037 530872279 /nfs/dbraw/zinc/87/22/79/530872279.db2.gz JKUBTMVBRDFPEG-AWEZNQCLSA-N 0 0 383.857 1.238 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000104357372 530838545 /nfs/dbraw/zinc/83/85/45/530838545.db2.gz RVJXQCFZKFBDBW-LSDHHAIUSA-N 0 0 396.285 1.753 10 0 GDAERN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2nc(C)no2)cc1Cl ZINC000104739216 530839943 /nfs/dbraw/zinc/83/99/43/530839943.db2.gz FMNHKJKPRWADBN-UHFFFAOYSA-N 0 0 376.797 1.650 10 0 GDAERN O=C(NC1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1)C1CCC1 ZINC000188748620 530900132 /nfs/dbraw/zinc/90/01/32/530900132.db2.gz RCGPSNNPFUCOEL-UHFFFAOYSA-N 0 0 378.422 1.485 10 0 GDAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(I)ccc1O ZINC000189104726 530908511 /nfs/dbraw/zinc/90/85/11/530908511.db2.gz DSYFUNZDISPGAJ-JTQLQIEISA-N 0 0 384.177 1.853 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1Br ZINC000188099000 530885027 /nfs/dbraw/zinc/88/50/27/530885027.db2.gz KBCMSENWLRJEEO-LBPRGKRZSA-N 0 0 384.274 1.451 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000188110543 530885902 /nfs/dbraw/zinc/88/59/02/530885902.db2.gz DUOFXAOXHIUWOS-OAHLLOKOSA-N 0 0 396.285 1.629 10 0 GDAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000113298268 530888256 /nfs/dbraw/zinc/88/82/56/530888256.db2.gz VAPRNYSEUXVLLF-SBDDDAINSA-N 0 0 383.271 1.946 10 0 GDAERN COC(=O)c1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ccc1Br ZINC000190362729 530928965 /nfs/dbraw/zinc/92/89/65/530928965.db2.gz ABQYOINGKACEFH-SNVBAGLBSA-N 0 0 394.229 1.964 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH]c(C)c(Br)c1=O)CC2 ZINC000119708030 530930640 /nfs/dbraw/zinc/93/06/40/530930640.db2.gz DQLUTGHVTUWMQX-VIFPVBQESA-N 0 0 380.246 1.757 10 0 GDAERN CCS(=O)(=O)CCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190501746 530930762 /nfs/dbraw/zinc/93/07/62/530930762.db2.gz MMERAOLBWJRTAE-CQSZACIVSA-N 0 0 388.559 1.350 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000189453754 530914014 /nfs/dbraw/zinc/91/40/14/530914014.db2.gz YELBAWIIYZPQIW-ZDUSSCGKSA-N 0 0 398.301 1.611 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)nn3C)CC2)no1 ZINC000192094629 530961602 /nfs/dbraw/zinc/96/16/02/530961602.db2.gz ZMTNMCWFNBYSLA-UHFFFAOYSA-N 0 0 383.250 1.222 10 0 GDAERN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000121805252 530962571 /nfs/dbraw/zinc/96/25/71/530962571.db2.gz DVFLSEOJKFYSLP-RYUDHWBXSA-N 0 0 377.268 1.570 10 0 GDAERN Cn1nc(Br)cc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000192187215 530964235 /nfs/dbraw/zinc/96/42/35/530964235.db2.gz HRJASOZKWOLZHM-PWSUYJOCSA-N 0 0 381.274 1.798 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190822315 530938120 /nfs/dbraw/zinc/93/81/20/530938120.db2.gz VWPBWKOHLUNWPD-NSHDSACASA-N 0 0 392.258 1.986 10 0 GDAERN CN1CCCN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CC1=O ZINC000191040161 530942476 /nfs/dbraw/zinc/94/24/76/530942476.db2.gz UYJJHTHQZLPPJY-UHFFFAOYSA-N 0 0 398.232 1.168 10 0 GDAERN CN1CCN(C(=O)CN2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000120928954 530947865 /nfs/dbraw/zinc/94/78/65/530947865.db2.gz PAXKBKOQXNOWPQ-MRXNPFEDSA-N 0 0 382.302 1.596 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000122771579 530975929 /nfs/dbraw/zinc/97/59/29/530975929.db2.gz OYSUKXSCSVFZOK-PBHICJAKSA-N 0 0 386.539 1.742 10 0 GDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000123513674 530984728 /nfs/dbraw/zinc/98/47/28/530984728.db2.gz ZUEFPJPWUUDIRX-LLVKDONJSA-N 0 0 375.475 1.760 10 0 GDAERN CCc1ccc([C@H]2CCCCN2S(=O)(=O)CCCS(=O)(=O)N(C)C)o1 ZINC000193955246 530996748 /nfs/dbraw/zinc/99/67/48/530996748.db2.gz PNGCQSYUZCPWKS-OAHLLOKOSA-N 0 0 392.543 1.980 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccccc1Br ZINC000123607489 530985708 /nfs/dbraw/zinc/98/57/08/530985708.db2.gz OYODLQONLLWDAW-LBPRGKRZSA-N 0 0 375.288 1.591 10 0 GDAERN Cc1ccc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)c(Br)c1 ZINC000123676151 530985927 /nfs/dbraw/zinc/98/59/27/530985927.db2.gz ONKYFEKHTFJBGB-ZDUSSCGKSA-N 0 0 389.315 1.899 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000193478728 530987339 /nfs/dbraw/zinc/98/73/39/530987339.db2.gz WWNFPLTYFHLMSN-OCCSQVGLSA-N 0 0 376.210 1.557 10 0 GDAERN CN1CCO[C@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000194634962 531008033 /nfs/dbraw/zinc/00/80/33/531008033.db2.gz RYKMRYYZFRIGFU-JOAKQRRISA-N 0 0 376.194 1.344 10 0 GDAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000126685518 531021328 /nfs/dbraw/zinc/02/13/28/531021328.db2.gz KZCCGRVCAJPGBW-BZPMIXESSA-N 0 0 381.416 1.953 10 0 GDAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H](N2CCOCC2)C1 ZINC000194356634 531003589 /nfs/dbraw/zinc/00/35/89/531003589.db2.gz DJEXNBZEZDLEMQ-GDBMZVCRSA-N 0 0 381.270 1.686 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000246209899 531064959 /nfs/dbraw/zinc/06/49/59/531064959.db2.gz RMJXMDNGOYXVLQ-QWHCGFSZSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246477870 531067656 /nfs/dbraw/zinc/06/76/56/531067656.db2.gz LCULKTCHJZLLGC-GXFFZTMASA-N 0 0 380.297 1.730 10 0 GDAERN Cc1cc(CCC(=O)NC[C@@H](O)CN2CCOCC2)ccc1Br ZINC000128028666 531036165 /nfs/dbraw/zinc/03/61/65/531036165.db2.gz OIAFHENBTHKALB-OAHLLOKOSA-N 0 0 385.302 1.499 10 0 GDAERN CN(C)c1nc(N)nc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1 ZINC000246564351 531067844 /nfs/dbraw/zinc/06/78/44/531067844.db2.gz VCQUDTJWIBXFKM-TZMCWYRMSA-N 0 0 383.283 1.917 10 0 GDAERN O=C1CN(C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCC[C@H]2N1 ZINC000246562646 531068246 /nfs/dbraw/zinc/06/82/46/531068246.db2.gz KSJFVIVKYVJPDT-NUEKZKHPSA-N 0 0 383.286 1.932 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)NCC3CCS(=O)(=O)CC3)CC2)s1 ZINC000130231633 531059207 /nfs/dbraw/zinc/05/92/07/531059207.db2.gz NTJWSPKLFIZGBT-UHFFFAOYSA-N 0 0 386.543 1.104 10 0 GDAERN O=C1NCCCC[C@@H]1N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000245858533 531060606 /nfs/dbraw/zinc/06/06/06/531060606.db2.gz KKZNAWINYVMSKM-LBPRGKRZSA-N 0 0 391.946 1.767 10 0 GDAERN Cc1nc(CN2CCCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000247579808 531076358 /nfs/dbraw/zinc/07/63/58/531076358.db2.gz YHSANLNEFWXDPF-ZIAGYGMSSA-N 0 0 388.559 1.313 10 0 GDAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)C[C@H]2CCCCO2)c2cccs2)CCO1 ZINC000248341267 531078078 /nfs/dbraw/zinc/07/80/78/531078078.db2.gz IXRBYIPZUDCLSX-OAGGEKHMSA-N 0 0 388.555 1.998 10 0 GDAERN C[C@H](c1nccs1)N1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000248645975 531080994 /nfs/dbraw/zinc/08/09/94/531080994.db2.gz OYZGIMQDYVLXIR-PBFPGSCMSA-N 0 0 380.539 1.802 10 0 GDAERN Cc1cc(Br)cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000249074400 531084093 /nfs/dbraw/zinc/08/40/93/531084093.db2.gz MZKDPMZFOYMKFP-QWHCGFSZSA-N 0 0 391.331 1.833 10 0 GDAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccccc3Br)C2)O1 ZINC000249113253 531084444 /nfs/dbraw/zinc/08/44/44/531084444.db2.gz RKDAJPRPOXMJIA-IHRRRGAJSA-N 0 0 383.242 1.382 10 0 GDAERN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H](O)C[C@@H]1CO ZINC000249362563 531086329 /nfs/dbraw/zinc/08/63/29/531086329.db2.gz SWKGNPQEUZPLNP-SUNKGSAMSA-N 0 0 376.222 1.620 10 0 GDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000133941593 531095615 /nfs/dbraw/zinc/09/56/15/531095615.db2.gz HLHBCHXFYXBICP-LBPRGKRZSA-N 0 0 387.241 1.971 10 0 GDAERN C[C@@H](CNC(=O)NCCOc1ncc(Cl)cc1Cl)N1CCOCC1 ZINC000134635535 531101354 /nfs/dbraw/zinc/10/13/54/531101354.db2.gz NPJKPDKDPHOBIG-NSHDSACASA-N 0 0 377.272 1.787 10 0 GDAERN CCc1nc(NC(=O)CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)sc1C ZINC000135725071 531111232 /nfs/dbraw/zinc/11/12/32/531111232.db2.gz ORPBPYPBOFNBAC-CYBMUJFWSA-N 0 0 386.543 1.452 10 0 GDAERN COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1I ZINC000151131585 531133367 /nfs/dbraw/zinc/13/33/67/531133367.db2.gz SRVOWMSDCWXTIK-NSHDSACASA-N 0 0 390.221 1.360 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000151623124 531140625 /nfs/dbraw/zinc/14/06/25/531140625.db2.gz UVLUSPVEEOXOAT-DGCLKSJQSA-N 0 0 383.499 1.297 10 0 GDAERN COCCCS(=O)(=O)NCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000153065437 531162301 /nfs/dbraw/zinc/16/23/01/531162301.db2.gz SCQOFYJRQCOOSU-LLVKDONJSA-N 0 0 393.303 1.582 10 0 GDAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(F)c(I)c1 ZINC000154557035 531186328 /nfs/dbraw/zinc/18/63/28/531186328.db2.gz UMCSSXUCIIDABH-VIFPVBQESA-N 0 0 386.168 1.767 10 0 GDAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000407954479 531208848 /nfs/dbraw/zinc/20/88/48/531208848.db2.gz GVMSEBAZMYSHDF-UHFFFAOYSA-N 0 0 383.214 1.626 10 0 GDAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000408032163 531212735 /nfs/dbraw/zinc/21/27/35/531212735.db2.gz SFDRAZKTNNSCMI-MRXNPFEDSA-N 0 0 390.864 1.617 10 0 GDAERN CN1CCOC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000408033593 531212973 /nfs/dbraw/zinc/21/29/73/531212973.db2.gz OFDFJWGRBPWBQR-CQSZACIVSA-N 0 0 386.279 1.608 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000408100178 531219030 /nfs/dbraw/zinc/21/90/30/531219030.db2.gz ULERACFYMJVERB-OAHLLOKOSA-N 0 0 386.539 1.566 10 0 GDAERN C[C@@H]1CN(C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000408111832 531220254 /nfs/dbraw/zinc/22/02/54/531220254.db2.gz GCBUQZXXPYCPPS-CQSZACIVSA-N 0 0 385.555 1.628 10 0 GDAERN C[C@@H](c1ncc(Br)cn1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408124722 531220560 /nfs/dbraw/zinc/22/05/60/531220560.db2.gz SFZPURWPYWDJIY-BLLLJJGKSA-N 0 0 383.290 1.749 10 0 GDAERN CCc1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)sc1C ZINC000408154308 531223062 /nfs/dbraw/zinc/22/30/62/531223062.db2.gz OIIXNEKXXGDJHD-HNNXBMFYSA-N 0 0 386.539 1.886 10 0 GDAERN O=C1NC[C@@H]2[C@H]1CCCN2c1ncnc2cccc(I)c21 ZINC000408169916 531224059 /nfs/dbraw/zinc/22/40/59/531224059.db2.gz TZPWLJODSHEDAZ-BXKDBHETSA-N 0 0 394.216 1.949 10 0 GDAERN CO[C@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC[C@H]1C ZINC000408258418 531229756 /nfs/dbraw/zinc/22/97/56/531229756.db2.gz WRTJNXCEPJMKLK-OCCSQVGLSA-N 0 0 388.511 1.266 10 0 GDAERN Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)OC[C@H]3C)CC2)s1 ZINC000408238575 531228077 /nfs/dbraw/zinc/22/80/77/531228077.db2.gz XNWBPPAWPCVRFJ-OLZOCXBDSA-N 0 0 387.527 1.168 10 0 GDAERN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408237170 531228921 /nfs/dbraw/zinc/22/89/21/531228921.db2.gz QBGVWWPCVNOBAB-MCIONIFRSA-N 0 0 390.527 1.437 10 0 GDAERN COc1cc(C)c(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1Cl ZINC000408398224 531237819 /nfs/dbraw/zinc/23/78/19/531237819.db2.gz XQBQJDVBXHLUHG-ZFWWWQNUSA-N 0 0 388.917 1.998 10 0 GDAERN Cc1c(Br)cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c(=O)n1C ZINC000408393899 531238599 /nfs/dbraw/zinc/23/85/99/531238599.db2.gz NTHJEWGUISALMT-ZDUSSCGKSA-N 0 0 397.191 1.986 10 0 GDAERN COc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1Cl ZINC000408398213 531238628 /nfs/dbraw/zinc/23/86/28/531238628.db2.gz XQBQJDVBXHLUHG-DZGCQCFKSA-N 0 0 388.917 1.998 10 0 GDAERN CC(C)[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)CCS1 ZINC000408439981 531240909 /nfs/dbraw/zinc/24/09/09/531240909.db2.gz WYFGKEWBPAQOSH-OAHLLOKOSA-N 0 0 377.576 1.972 10 0 GDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000284354546 531951799 /nfs/dbraw/zinc/95/17/99/531951799.db2.gz AVDDBYBHUMOPMW-CVEARBPZSA-N 0 0 391.896 1.561 10 0 GDAERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000284983388 532015031 /nfs/dbraw/zinc/01/50/31/532015031.db2.gz KNNKROPSHXNFPF-KBPBESRZSA-N 0 0 380.388 1.679 10 0 GDAERN COCc1nsc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000301597016 532037075 /nfs/dbraw/zinc/03/70/75/532037075.db2.gz SQKQUPSLFCSNFT-KPKJPENVSA-N 0 0 380.495 1.807 10 0 GDAERN CC(C)(C)c1nnc(N2CCN(c3ccccc3S(N)(=O)=O)CC2)s1 ZINC000302651765 532048968 /nfs/dbraw/zinc/04/89/68/532048968.db2.gz KAZQXKQFLXWJRL-UHFFFAOYSA-N 0 0 381.527 1.810 10 0 GDAERN Nc1ncc(Br)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1 ZINC000328629733 532088730 /nfs/dbraw/zinc/08/87/30/532088730.db2.gz PCOUZEXEEYCSGD-VIFPVBQESA-N 0 0 386.275 1.164 10 0 GDAERN Cn1cc([C@H]2CCCN2C(=O)CSc2nnnn2CC(F)(F)F)cn1 ZINC000329145975 532097323 /nfs/dbraw/zinc/09/73/23/532097323.db2.gz OCJJIFGXXIWHOM-SNVBAGLBSA-N 0 0 375.380 1.425 10 0 GDAERN CN(C)S(=O)(=O)[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1C(F)(F)F ZINC000329496308 532104801 /nfs/dbraw/zinc/10/48/01/532104801.db2.gz DUCYBAXFFOAPMC-HBNTYKKESA-N 0 0 385.408 1.166 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000330216768 532117948 /nfs/dbraw/zinc/11/79/48/532117948.db2.gz NJLAUKDBQHWWHY-BBWFWOEESA-N 0 0 390.571 1.752 10 0 GDAERN O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000332868833 532212386 /nfs/dbraw/zinc/21/23/86/532212386.db2.gz MSCQZYUFYMGLGB-GXTWGEPZSA-N 0 0 386.495 1.172 10 0 GDAERN O=C1CNCCN1[C@@H]1CCCN(c2noc3ccc(Br)cc32)C1 ZINC000333912683 532255797 /nfs/dbraw/zinc/25/57/97/532255797.db2.gz LXVGBVFQPIRKKV-GFCCVEGCSA-N 0 0 379.258 1.991 10 0 GDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2ccc(F)c(F)c2)cn1 ZINC000328636831 212088875 /nfs/dbraw/zinc/08/88/75/212088875.db2.gz VRGSNWCJDMGTES-INIZCTEOSA-N 0 0 383.420 1.722 10 0 GDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cc3c(cccc3F)[nH]2)cn1 ZINC000328633919 212087154 /nfs/dbraw/zinc/08/71/54/212087154.db2.gz SWCDGIBZGDTFJK-INIZCTEOSA-N 0 0 376.413 1.652 10 0 GDAERN COCC(=O)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(C(C)C)cc3)CO[C@H]12 ZINC000004235673 220694931 /nfs/dbraw/zinc/69/49/31/220694931.db2.gz JPHXAMOEIOCTKJ-BURFUSLBSA-N 0 0 378.425 1.656 10 0 GDAERN CC1(C)CS(=O)(=O)N(c2cc(C(=O)N3CCOCC3)ccc2Cl)C1=O ZINC000012004065 221142091 /nfs/dbraw/zinc/14/20/91/221142091.db2.gz ANSKLKKFUBBLNT-UHFFFAOYSA-N 0 0 386.857 1.515 10 0 GDAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCCn1ccnc1 ZINC000012301327 221177496 /nfs/dbraw/zinc/17/74/96/221177496.db2.gz XPXSPLIDBCKZNA-KRWDZBQOSA-N 0 0 391.422 1.058 10 0 GDAERN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCCSC ZINC000014971855 221322113 /nfs/dbraw/zinc/32/21/13/221322113.db2.gz GJAUZVGAGDNDDX-MRXNPFEDSA-N 0 0 379.526 1.645 10 0 GDAERN COc1ccccc1CN1C[C@@H](C(=O)NCCN2CCOC2=O)CCC1=O ZINC000014948828 221318760 /nfs/dbraw/zinc/31/87/60/221318760.db2.gz MUIFOYQMHKILCF-HNNXBMFYSA-N 0 0 375.425 1.002 10 0 GDAERN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065226992 136160412 /nfs/dbraw/zinc/16/04/12/136160412.db2.gz KIFRJGUBKSQABS-MRXNPFEDSA-N 0 0 384.484 1.080 10 0 GDAERN CCOC(=O)C1CCN(C(=O)CCc2ccnc(N3CCOCC3)c2)CC1 ZINC000065269811 136162265 /nfs/dbraw/zinc/16/22/65/136162265.db2.gz UJFFAZCODXPGQJ-UHFFFAOYSA-N 0 0 375.469 1.653 10 0 GDAERN Cc1cc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c3cccnc3n2n1 ZINC000065240213 222115385 /nfs/dbraw/zinc/11/53/85/222115385.db2.gz RJHZQSFOPZMUEA-UHFFFAOYSA-N 0 0 377.360 1.720 10 0 GDAERN COC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3cnco3)cc1)C2 ZINC000065460242 222129155 /nfs/dbraw/zinc/12/91/55/222129155.db2.gz XKFRIIIYKKPALO-UHFFFAOYSA-N 0 0 388.405 1.529 10 0 GDAERN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCOCC2)[C@H](c2cccnc2)[N@@H+]1C ZINC000067770736 222159299 /nfs/dbraw/zinc/15/92/99/222159299.db2.gz WFLSRZWORZKABK-ZWOKBUDYSA-N 0 0 375.469 1.803 10 0 GDAERN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)c1cccnc1)CCC2 ZINC000096083038 222378136 /nfs/dbraw/zinc/37/81/36/222378136.db2.gz KFLCYLJBNXOWEA-UWJYYQICSA-N 0 0 395.463 1.794 10 0 GDAERN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)NC)n(C)c(=O)n3C)CC1 ZINC000064591055 535603035 /nfs/dbraw/zinc/60/30/35/535603035.db2.gz OYINMMJOIMJEAF-UHFFFAOYSA-N 0 0 389.456 1.408 10 0 GDAERN CC1=C(C(=O)OC(C)C)[C@@]2(c3ccccc3-c3oc(N)nc32)C(=O)N1CC(N)=O ZINC000020569045 570268516 /nfs/dbraw/zinc/26/85/16/570268516.db2.gz NMSMAYROWBMJFC-HXUWFJFHSA-N 0 0 396.403 1.076 10 0 GDAERN COC(=O)C1=C(N)Nc2ccccc2[C@]12C(=O)OC(C)=C2C(=O)OC(C)(C)C ZINC000020569111 570268616 /nfs/dbraw/zinc/26/86/16/570268616.db2.gz DJJHQMVFWVCRTF-HXUWFJFHSA-N 0 0 386.404 1.866 10 0 GDAERN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NC(C)C)n2)CC1 ZINC000035375391 570345575 /nfs/dbraw/zinc/34/55/75/570345575.db2.gz LJFOMAKSNMBZEA-UHFFFAOYSA-N 0 0 385.468 1.103 10 0 GDAERN CCOC(=O)[C@H]1[C@@H](C(=O)NC2CCCCC2)C(=O)C(=O)N1C1CCCCC1 ZINC000005952978 570463068 /nfs/dbraw/zinc/46/30/68/570463068.db2.gz DCUNGFSEHKPDDK-HZPDHXFCSA-N 0 0 378.469 1.727 10 0 GDAERN Cc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000035512207 570554046 /nfs/dbraw/zinc/55/40/46/570554046.db2.gz DYUNUKPWPGKWFM-ZDUSSCGKSA-N 0 0 375.454 1.288 10 0 GDAERN Cc1nc([C@H](NC(=O)Nc2cccn(C)c2=O)c2ccc3c(c2)OCCO3)no1 ZINC000366433665 570945816 /nfs/dbraw/zinc/94/58/16/570945816.db2.gz DGPXTEUQLRXQTE-MRXNPFEDSA-N 0 0 397.391 1.759 10 0 GDAERN CC(=O)N[C@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000123790757 644699319 /nfs/dbraw/zinc/69/93/19/644699319.db2.gz GPQFJQKQFNZXDX-LBPRGKRZSA-N 0 0 379.258 1.717 10 0 GDAERN COC(=O)[C@@H]1C[C@H]1C(=O)OCCn1nc(C)c2cc(Br)cnc21 ZINC000152844138 644790624 /nfs/dbraw/zinc/79/06/24/644790624.db2.gz SCWGIHPEEIAAAQ-VXGBXAGGSA-N 0 0 382.214 1.855 10 0 GDAERN O=C(OC[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)[C@H]1CNC(=O)C1 ZINC000155260198 644810580 /nfs/dbraw/zinc/81/05/80/644810580.db2.gz LLRIACQFCLOAEK-WDEREUQCSA-N 0 0 381.226 1.481 10 0 GDAERN O=C1c2cc(Br)ccc2N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172962483 644886306 /nfs/dbraw/zinc/88/63/06/644886306.db2.gz OAUDJFWKYVTCRK-ZDUSSCGKSA-N 0 0 394.269 1.342 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)nc2C)C1 ZINC000179506218 644933370 /nfs/dbraw/zinc/93/33/70/644933370.db2.gz JGLWDUUNCFOSBB-LLVKDONJSA-N 0 0 383.246 1.218 10 0 GDAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCCn2cc(Br)cn2)C1 ZINC000222626006 645074211 /nfs/dbraw/zinc/07/42/11/645074211.db2.gz RQCUEOQIDDDMIS-CQSZACIVSA-N 0 0 392.257 1.303 10 0 GDAERN CCS(=O)(=O)N1CCN(C(=O)c2cc3oc(Br)cc3[nH]2)CC1 ZINC000223959348 645074661 /nfs/dbraw/zinc/07/46/61/645074661.db2.gz JLZUKKUNLGUSPM-UHFFFAOYSA-N 0 0 390.259 1.631 10 0 GDAERN C[C@H]1CCCN1S(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328714593 645273391 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C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000708526709 969035189 /nfs/dbraw/zinc/03/51/89/969035189.db2.gz MCQGQJVBABNMPR-MAUKXSAKSA-N 0 0 395.525 1.386 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000707713555 977399354 /nfs/dbraw/zinc/39/93/54/977399354.db2.gz FRSCSARWBRNPTR-RIFZZMRRSA-N 0 0 375.469 1.782 10 0 GDAERN O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000723245947 978178753 /nfs/dbraw/zinc/17/87/53/978178753.db2.gz FBZOZAFSYSBAGA-CALCHBBNSA-N 0 0 396.509 1.186 10 0 GDAERN O=C(CCNC(=O)c1ccsc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000021497583 530570663 /nfs/dbraw/zinc/57/06/63/530570663.db2.gz AQTXWKWAPLWOQC-CQSZACIVSA-N 0 0 378.475 1.903 10 0 GDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000162743166 530571116 /nfs/dbraw/zinc/57/11/16/530571116.db2.gz CJBVLQBFYCEFNR-JTQLQIEISA-N 0 0 391.168 1.830 10 0 GDAERN Cc1[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000163181606 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/nfs/dbraw/zinc/94/78/29/530947829.db2.gz ZJRCWENQZSQMSD-LBPRGKRZSA-N 0 0 393.241 1.557 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000191494596 530949816 /nfs/dbraw/zinc/94/98/16/530949816.db2.gz UKLCBVUSEFCNMX-OAHLLOKOSA-N 0 0 384.263 1.945 10 0 GDAERN CC(=O)NC1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000191498338 530949909 /nfs/dbraw/zinc/94/99/09/530949909.db2.gz PPCOFAYFBOYFKC-LBPRGKRZSA-N 0 0 380.242 1.149 10 0 GDAERN C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1c(Cl)ccc(F)c1Cl ZINC000121257845 530952554 /nfs/dbraw/zinc/95/25/54/530952554.db2.gz FDKACCOXAAPLJJ-ZETCQYMHSA-N 0 0 395.243 1.854 10 0 GDAERN C[C@@]1(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1(Cl)Cl ZINC000122582155 530973249 /nfs/dbraw/zinc/97/32/49/530973249.db2.gz XHRCCWIMGJAGJU-INIZCTEOSA-N 0 0 390.311 1.533 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000193112658 530979510 /nfs/dbraw/zinc/97/95/10/530979510.db2.gz FQFCMCDJBZNWNB-WQVCFCJDSA-N 0 0 387.263 1.875 10 0 GDAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)CC[C@@H]2CCCO2)c2cccs2)CCO1 ZINC000123110133 530979573 /nfs/dbraw/zinc/97/95/73/530979573.db2.gz UKDIWMRVNSTSCZ-PMPSAXMXSA-N 0 0 388.555 1.998 10 0 GDAERN O=C(c1ncc(Br)s1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000192426383 530967867 /nfs/dbraw/zinc/96/78/67/530967867.db2.gz PWAQHNKHJTZKQJ-UHFFFAOYSA-N 0 0 394.258 1.306 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1Br ZINC000122395963 530970318 /nfs/dbraw/zinc/97/03/18/530970318.db2.gz FKNYPVWGLPCPML-CHWSQXEVSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CCO2)n1 ZINC000193951985 530996397 /nfs/dbraw/zinc/99/63/97/530996397.db2.gz VEPHOMSAZXSZLO-LLVKDONJSA-N 0 0 396.416 1.973 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C(C)C ZINC000193599827 530990300 /nfs/dbraw/zinc/99/03/00/530990300.db2.gz OAOIKSPYQAAZND-CQSZACIVSA-N 0 0 396.285 1.763 10 0 GDAERN NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195346027 531021608 /nfs/dbraw/zinc/02/16/08/531021608.db2.gz LPCVEAZAHXTQEW-GFCCVEGCSA-N 0 0 380.495 1.609 10 0 GDAERN NS(=O)(=O)c1ccc(NC(=O)CN2CCCC[C@H]2c2nccs2)cc1 ZINC000195363148 531022203 /nfs/dbraw/zinc/02/22/03/531022203.db2.gz IYSHERDAZLBJAE-AWEZNQCLSA-N 0 0 380.495 1.956 10 0 GDAERN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000229045335 531033416 /nfs/dbraw/zinc/03/34/16/531033416.db2.gz RDRDCWMRUBDIFR-ZENOOKHLSA-N 0 0 377.528 1.221 10 0 GDAERN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000245994765 531062404 /nfs/dbraw/zinc/06/24/04/531062404.db2.gz RCUOPDLVEKZJGP-UONOGXRCSA-N 0 0 386.543 1.152 10 0 GDAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000245971621 531062423 /nfs/dbraw/zinc/06/24/23/531062423.db2.gz VVKAWTLLNNQWOU-AWEZNQCLSA-N 0 0 385.917 1.901 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)ccc1Br ZINC000246218554 531064971 /nfs/dbraw/zinc/06/49/71/531064971.db2.gz UMNSNUSYAFVRAJ-OLZOCXBDSA-N 0 0 391.331 1.833 10 0 GDAERN C[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1N1CCOCC1 ZINC000246431460 531066615 /nfs/dbraw/zinc/06/66/15/531066615.db2.gz LHZRWJJHKLFGPU-TZMCWYRMSA-N 0 0 383.290 1.435 10 0 GDAERN CCn1c(N)c(C(=O)CN[C@H](C)c2ccccc2Br)c(=O)[nH]c1=O ZINC000128013484 531036172 /nfs/dbraw/zinc/03/61/72/531036172.db2.gz GHAKRXHYJIFNMO-SECBINFHSA-N 0 0 395.257 1.435 10 0 GDAERN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1COCCN1 ZINC000237707979 531049363 /nfs/dbraw/zinc/04/93/63/531049363.db2.gz MIASBNDRUWZTKF-JQWIXIFHSA-N 0 0 378.782 1.437 10 0 GDAERN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1COCCN1 ZINC000237707181 531049512 /nfs/dbraw/zinc/04/95/12/531049512.db2.gz MIASBNDRUWZTKF-PWSUYJOCSA-N 0 0 378.782 1.437 10 0 GDAERN CNS(=O)(=O)CC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245564376 531058150 /nfs/dbraw/zinc/05/81/50/531058150.db2.gz NWNBPVSUAYEWSX-GOEBONIOSA-N 0 0 391.896 1.668 10 0 GDAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000245699588 531059719 /nfs/dbraw/zinc/05/97/19/531059719.db2.gz BIWKNHJVEKLGNK-JQWIXIFHSA-N 0 0 393.665 1.028 10 0 GDAERN NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245792930 531060592 /nfs/dbraw/zinc/06/05/92/531060592.db2.gz OATNJINTXJPWFB-DOMZBBRYSA-N 0 0 378.274 1.979 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CCN1C[C@H](C)O ZINC000247225926 531073476 /nfs/dbraw/zinc/07/34/76/531073476.db2.gz YVJYSHRKKVHYQB-WFASDCNBSA-N 0 0 398.301 1.691 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247217641 531073528 /nfs/dbraw/zinc/07/35/28/531073528.db2.gz YGQOKDKNMJTIAU-OLZOCXBDSA-N 0 0 398.301 1.610 10 0 GDAERN CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000247976419 531077241 /nfs/dbraw/zinc/07/72/41/531077241.db2.gz GMANSQBAPSTKBI-XJKSGUPXSA-N 0 0 386.901 1.991 10 0 GDAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248426340 531077857 /nfs/dbraw/zinc/07/78/57/531077857.db2.gz KRWHVPFVLJVALT-CMPLNLGQSA-N 0 0 392.465 1.593 10 0 GDAERN CC(C)OCCS(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000248328454 531077891 /nfs/dbraw/zinc/07/78/91/531077891.db2.gz CUXKHOBIJPCPQV-HUUCEWRRSA-N 0 0 376.544 1.854 10 0 GDAERN O=C(CCCc1ccccc1Br)NC[C@@H](O)CN1CCOCC1 ZINC000132670795 531082749 /nfs/dbraw/zinc/08/27/49/531082749.db2.gz ZLJHBMSIGURIEH-OAHLLOKOSA-N 0 0 385.302 1.581 10 0 GDAERN O=S(=O)(Cc1ccc(F)cc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134702363 531102545 /nfs/dbraw/zinc/10/25/45/531102545.db2.gz CHMZNJVVBAXMHY-OAHLLOKOSA-N 0 0 376.475 1.155 10 0 GDAERN Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000134702812 531102848 /nfs/dbraw/zinc/10/28/48/531102848.db2.gz ALQCCFIIXOMPDY-ZDUSSCGKSA-N 0 0 376.475 1.323 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247105238 531071891 /nfs/dbraw/zinc/07/18/91/531071891.db2.gz QRLIIOWDNVELAG-OLZOCXBDSA-N 0 0 398.301 1.610 10 0 GDAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000247111447 531071945 /nfs/dbraw/zinc/07/19/45/531071945.db2.gz RCBXEDDHFRCIBP-RYUDHWBXSA-N 0 0 384.274 1.301 10 0 GDAERN C[S@](=O)Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)ccc1Cl ZINC000247217328 531073285 /nfs/dbraw/zinc/07/32/85/531073285.db2.gz NWPBYRQNVJCOIA-NSUJZQOCSA-N 0 0 386.901 1.824 10 0 GDAERN O=C(CN1CC[C@H](S(=O)(=O)N2CCCC2)C1)NCc1ccc(Cl)s1 ZINC000135668145 531111570 /nfs/dbraw/zinc/11/15/70/531111570.db2.gz NEFIMIMXYKZEJP-ZDUSSCGKSA-N 0 0 391.946 1.518 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1cc(Br)ccc1=O ZINC000151293882 531135645 /nfs/dbraw/zinc/13/56/45/531135645.db2.gz NHORWFLCNXNIMS-LLVKDONJSA-N 0 0 380.246 1.416 10 0 GDAERN CCOc1ccnc(N2CCN(C(=O)c3ccncc3Br)CC2)n1 ZINC000152857850 531158128 /nfs/dbraw/zinc/15/81/28/531158128.db2.gz PMTBIPWAROIPIU-UHFFFAOYSA-N 0 0 392.257 1.995 10 0 GDAERN C[C@@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1N1CCOCC1 ZINC000156087650 531204014 /nfs/dbraw/zinc/20/40/14/531204014.db2.gz LNEHOBWBEAXYHC-BXUZGUMPSA-N 0 0 399.289 1.332 10 0 GDAERN CN(CCc1ccc(Br)cc1)C(=O)C1CC2(C1)NC(=O)NC2=O ZINC000157905398 531207478 /nfs/dbraw/zinc/20/74/78/531207478.db2.gz KZCXEJVGXODVAU-UHFFFAOYSA-N 0 0 380.242 1.438 10 0 GDAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000408049617 531214502 /nfs/dbraw/zinc/21/45/02/531214502.db2.gz CCRKHKVATKALQD-DOTOQJQBSA-N 0 0 381.270 1.926 10 0 GDAERN Cc1nn(C)c(CN2CCC[C@](O)(C(=O)N3CCCC3)C2)c1Br ZINC000408039199 531213604 /nfs/dbraw/zinc/21/36/04/531213604.db2.gz SWHTYRRCBIGRHY-MRXNPFEDSA-N 0 0 385.306 1.440 10 0 GDAERN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN2CCC[C@@H]2C1 ZINC000408099109 531217317 /nfs/dbraw/zinc/21/73/17/531217317.db2.gz JJEOUFLKULENKW-CQSZACIVSA-N 0 0 392.930 1.353 10 0 GDAERN C[C@@H](c1ncc(Br)cn1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408124723 531220678 /nfs/dbraw/zinc/22/06/78/531220678.db2.gz SFZPURWPYWDJIY-LRDDRELGSA-N 0 0 383.290 1.749 10 0 GDAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC(=O)N1 ZINC000408205988 531224752 /nfs/dbraw/zinc/22/47/52/531224752.db2.gz 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CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC000913094679 660066918 /nfs/dbraw/zinc/06/69/18/660066918.db2.gz PVZIZXVNCLIYKE-JKSUJKDBSA-N 0 0 381.270 1.432 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000689200431 968890416 /nfs/dbraw/zinc/89/04/16/968890416.db2.gz HDXCZODDRGFTKT-RDJZCZTQSA-N 0 0 381.498 1.234 10 0 GDAERN COc1ccc(Br)c(CC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000158820631 530536375 /nfs/dbraw/zinc/53/63/75/530536375.db2.gz OTSRZMUNIFFDDG-AWEZNQCLSA-N 0 0 383.286 1.933 10 0 GDAERN O=C(c1cncc(I)c1)N1CCC(n2cncn2)CC1 ZINC000161786842 530563927 /nfs/dbraw/zinc/56/39/27/530563927.db2.gz YHOSHOLWKLXMQE-UHFFFAOYSA-N 0 0 383.193 1.755 10 0 GDAERN O=C(C1CC2(C1)NC(=O)NC2=O)N(Cc1csc(Br)c1)C1CC1 ZINC000161963521 530565407 /nfs/dbraw/zinc/56/54/07/530565407.db2.gz MLXOVQLTSHGYGA-UHFFFAOYSA-N 0 0 398.282 1.990 10 0 GDAERN O=C(c1cnccn1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000021702380 530571022 /nfs/dbraw/zinc/57/10/22/530571022.db2.gz 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530634677 /nfs/dbraw/zinc/63/46/77/530634677.db2.gz IAQHNHDSWBTHFE-ZDUSSCGKSA-N 0 0 378.230 1.843 10 0 GDAERN CCc1nnc(CN2CCN(c3ncc(Br)c(OC)n3)CC2)n1C ZINC000175868118 530672205 /nfs/dbraw/zinc/67/22/05/530672205.db2.gz WMTKUKUSMBMJRQ-UHFFFAOYSA-N 0 0 396.293 1.261 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000176016994 530674876 /nfs/dbraw/zinc/67/48/76/530674876.db2.gz KVEGKWDSEPNYHZ-GFCCVEGCSA-N 0 0 378.230 1.939 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176078534 530676358 /nfs/dbraw/zinc/67/63/58/530676358.db2.gz UTRILXRDBPDHIS-SNVBAGLBSA-N 0 0 386.221 1.654 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176096433 530676755 /nfs/dbraw/zinc/67/67/55/530676755.db2.gz NAIOPCBPNHLVGM-GFCCVEGCSA-N 0 0 378.230 1.939 10 0 GDAERN Cc1nc(C)c(S(=O)(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)s1 ZINC000176924255 530694606 /nfs/dbraw/zinc/69/46/06/530694606.db2.gz RGMDYHAPXFQZAX-UHFFFAOYSA-N 0 0 383.543 1.617 10 0 GDAERN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177624845 530706810 /nfs/dbraw/zinc/70/68/10/530706810.db2.gz DZMAGOQJILNWAP-LLVKDONJSA-N 0 0 378.230 1.419 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000177610873 530707148 /nfs/dbraw/zinc/70/71/48/530707148.db2.gz UAVIYGWLAXRPOA-VXGBXAGGSA-N 0 0 384.274 1.301 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2ncc(Br)cn2n1 ZINC000177681531 530708463 /nfs/dbraw/zinc/70/84/63/530708463.db2.gz IITFGWAIJHOFAI-SECBINFHSA-N 0 0 377.206 1.052 10 0 GDAERN O=S(=O)(c1sccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000062983980 530744638 /nfs/dbraw/zinc/74/46/38/530744638.db2.gz OJRXDAJCFFUFKB-SNVBAGLBSA-N 0 0 381.317 1.606 10 0 GDAERN CCN(C(C)=O)c1nc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cs1 ZINC000178607541 530723758 /nfs/dbraw/zinc/72/37/58/530723758.db2.gz KOCGOVCBFBDTMS-OAHLLOKOSA-N 0 0 386.543 1.516 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178714176 530726427 /nfs/dbraw/zinc/72/64/27/530726427.db2.gz 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/nfs/dbraw/zinc/78/90/99/530789099.db2.gz SSHROXGRCQDDAN-GFCCVEGCSA-N 0 0 380.861 1.056 10 0 GDAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)cn1 ZINC000181689525 530789228 /nfs/dbraw/zinc/78/92/28/530789228.db2.gz VEVBSVJGTCUSLM-GFCCVEGCSA-N 0 0 376.269 1.457 10 0 GDAERN CC(C)c1nc(CCNC(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000102458005 530827992 /nfs/dbraw/zinc/82/79/92/530827992.db2.gz IWCWLMDBVRJKOJ-UHFFFAOYSA-N 0 0 382.511 1.956 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)COc2c(F)cc(F)cc2Br)C1 ZINC000182981145 530808319 /nfs/dbraw/zinc/80/83/19/530808319.db2.gz BICQCFHRYAHPEE-MRVPVSSYSA-N 0 0 377.185 1.830 10 0 GDAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)[nH]1 ZINC000183208094 530811496 /nfs/dbraw/zinc/81/14/96/530811496.db2.gz ODZKAXPKPHJAIY-LLVKDONJSA-N 0 0 396.245 1.747 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCC(N3CCCNC3=O)CC2)c(=O)c1Br ZINC000183244109 530812146 /nfs/dbraw/zinc/81/21/46/530812146.db2.gz YUHVYVJDEDLBAY-UHFFFAOYSA-N 0 0 397.273 1.878 10 0 GDAERN COc1ccc(C(=O)N2CCc3ncnc(OC)c3C2)nc1Br ZINC000183243563 530812214 /nfs/dbraw/zinc/81/22/14/530812214.db2.gz XUPSXGRBZWSLIZ-UHFFFAOYSA-N 0 0 379.214 1.850 10 0 GDAERN Cc1cnn(CCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000183627255 530818024 /nfs/dbraw/zinc/81/80/24/530818024.db2.gz VBKMJGKWNBGFCZ-UHFFFAOYSA-N 0 0 379.214 1.715 10 0 GDAERN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000097013447 530819925 /nfs/dbraw/zinc/81/99/25/530819925.db2.gz IGAILAAJHYFBJZ-LLVKDONJSA-N 0 0 390.874 1.148 10 0 GDAERN O=C(NC1CN(C[C@@H](O)COc2ccc(Br)cc2)C1)C1CCC1 ZINC000185935168 530848913 /nfs/dbraw/zinc/84/89/13/530848913.db2.gz ZVCASBAVSAWNNP-OAHLLOKOSA-N 0 0 383.286 1.789 10 0 GDAERN O=C(CCN1CCN(c2cccs2)C(=O)C1)NC(=O)NCC(F)(F)F ZINC000186062950 530850196 /nfs/dbraw/zinc/85/01/96/530850196.db2.gz NPSMYDPWHIODHU-UHFFFAOYSA-N 0 0 378.376 1.175 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000186141613 530852441 /nfs/dbraw/zinc/85/24/41/530852441.db2.gz UKZLGULFOLOMSN-JTQLQIEISA-N 0 0 382.408 1.890 10 0 GDAERN O=C(Cn1cc(Br)ccc1=O)N1CCCN(c2cccnn2)CC1 ZINC000109631315 530863586 /nfs/dbraw/zinc/86/35/86/530863586.db2.gz CUYSVSKHUKTITA-UHFFFAOYSA-N 0 0 392.257 1.140 10 0 GDAERN NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000110684676 530869171 /nfs/dbraw/zinc/86/91/71/530869171.db2.gz REOBOCYQSBQCKM-QWRGUYRKSA-N 0 0 378.281 1.445 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3cccs3)CC2)s1 ZINC000110944224 530871082 /nfs/dbraw/zinc/87/10/82/530871082.db2.gz MSBBXYLHPRNWAS-GFCCVEGCSA-N 0 0 378.523 1.976 10 0 GDAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000185200803 530837684 /nfs/dbraw/zinc/83/76/84/530837684.db2.gz OTESYUTXZDDETB-GFCCVEGCSA-N 0 0 376.360 1.682 10 0 GDAERN O=C(c1csc(I)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000116675061 530906346 /nfs/dbraw/zinc/90/63/46/530906346.db2.gz VCABSKCJLIWDGD-LLVKDONJSA-N 0 0 392.262 1.899 10 0 GDAERN CC[C@H]1CN(C(=O)c2cc(I)c[nH]2)CCN1CCOC ZINC000117299978 530911710 /nfs/dbraw/zinc/91/17/10/530911710.db2.gz ZATSKZZTTBVHCS-LBPRGKRZSA-N 0 0 391.253 1.802 10 0 GDAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000117351883 530911789 /nfs/dbraw/zinc/91/17/89/530911789.db2.gz ZMSKKOGMZODNCD-VIFPVBQESA-N 0 0 375.313 1.527 10 0 GDAERN Cc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1I ZINC000189390416 530911814 /nfs/dbraw/zinc/91/18/14/530911814.db2.gz RZUNCZFWLKVIBR-UHFFFAOYSA-N 0 0 384.217 1.950 10 0 GDAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000187679327 530876704 /nfs/dbraw/zinc/87/67/04/530876704.db2.gz QSHCRWNRMWPENY-OAHLLOKOSA-N 0 0 397.229 1.850 10 0 GDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)c1 ZINC000112094518 530878651 /nfs/dbraw/zinc/87/86/51/530878651.db2.gz DCVPUCNTNRVECG-NSHDSACASA-N 0 0 375.372 1.699 10 0 GDAERN C[C@H](NC(=O)Cn1ncn2nccc2c1=O)c1ccccc1Br ZINC000112229662 530879052 /nfs/dbraw/zinc/87/90/52/530879052.db2.gz NTUKOEDIECTYMN-JTQLQIEISA-N 0 0 376.214 1.531 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2cc(Br)ccc2F)C1)C1CC1 ZINC000187916939 530880647 /nfs/dbraw/zinc/88/06/47/530880647.db2.gz GEJSUTREZAFALM-UHFFFAOYSA-N 0 0 377.235 1.487 10 0 GDAERN C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCOCC1 ZINC000112629027 530882533 /nfs/dbraw/zinc/88/25/33/530882533.db2.gz VYEGKNOOKOHQMG-LLVKDONJSA-N 0 0 394.269 1.741 10 0 GDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000112646879 530883439 /nfs/dbraw/zinc/88/34/39/530883439.db2.gz CCCQVYKNVIMNPH-ZDUSSCGKSA-N 0 0 387.241 1.971 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000188121079 530885568 /nfs/dbraw/zinc/88/55/68/530885568.db2.gz NWZFRIYYFXQJOV-CHWSQXEVSA-N 0 0 398.301 1.610 10 0 GDAERN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000113305847 530889202 /nfs/dbraw/zinc/88/92/02/530889202.db2.gz ABWKMYVKNLITSK-VXGBXAGGSA-N 0 0 376.475 1.086 10 0 GDAERN C[C@@H](NC(N)=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114707880 530896405 /nfs/dbraw/zinc/89/64/05/530896405.db2.gz JWBLRMNTUWULBZ-RXMQYKEDSA-N 0 0 385.140 1.781 10 0 GDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(Nc3nccs3)CC2)co1 ZINC000190399174 530929824 /nfs/dbraw/zinc/92/98/24/530929824.db2.gz OFDUNIMAPDPTNR-UHFFFAOYSA-N 0 0 384.483 1.703 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc(C)c1Br ZINC000190597450 530933345 /nfs/dbraw/zinc/93/33/45/530933345.db2.gz UFBLNNOQXLECPR-LLVKDONJSA-N 0 0 392.257 1.727 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000117521404 530912678 /nfs/dbraw/zinc/91/26/78/530912678.db2.gz GXDSZADMCXLBKS-ZDUSSCGKSA-N 0 0 398.301 1.957 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CCN1CCOC ZINC000117526336 530913572 /nfs/dbraw/zinc/91/35/72/530913572.db2.gz LNQQYLLIOWJNPW-HNNXBMFYSA-N 0 0 398.301 1.957 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000189451370 530913653 /nfs/dbraw/zinc/91/36/53/530913653.db2.gz XWVFBSFWCOMZHV-CYBMUJFWSA-N 0 0 398.301 1.611 10 0 GDAERN O=Cc1ccc(OCC(=O)N2CC(NC(=O)C3CC3)C2)c(Br)c1 ZINC000189488189 530913987 /nfs/dbraw/zinc/91/39/87/530913987.db2.gz PBZYFEHUKIMRRW-UHFFFAOYSA-N 0 0 381.226 1.377 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1 ZINC000118133346 530916998 /nfs/dbraw/zinc/91/69/98/530916998.db2.gz WJUQSBAITNLKNC-VWLOTQADSA-N 0 0 382.873 1.478 10 0 GDAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000190047117 530924894 /nfs/dbraw/zinc/92/48/94/530924894.db2.gz MPYOCTYAFDHTFL-CYBMUJFWSA-N 0 0 381.274 1.558 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Br)nn3C)C2=O)n(C)n1 ZINC000192143112 530962985 /nfs/dbraw/zinc/96/29/85/530962985.db2.gz WKTCKSAFBZVSKA-SNVBAGLBSA-N 0 0 395.261 1.150 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121890901 530963514 /nfs/dbraw/zinc/96/35/14/530963514.db2.gz WYHFTDRTTUPVDO-IAQYHMDHSA-N 0 0 392.930 1.833 10 0 GDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000120287145 530938506 /nfs/dbraw/zinc/93/85/06/530938506.db2.gz GJNHCEAJXCZYFP-LLVKDONJSA-N 0 0 395.308 1.607 10 0 GDAERN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)C1 ZINC000191055554 530943479 /nfs/dbraw/zinc/94/34/79/530943479.db2.gz MHPGZQZYMJXZNX-DGCLKSJQSA-N 0 0 387.329 1.469 10 0 GDAERN O=C(Nc1ccccc1-n1cc(Br)cn1)C(=O)N1CCC[C@H]1CO ZINC000120942947 530947813 /nfs/dbraw/zinc/94/78/13/530947813.db2.gz XSADDFNPVJAYFF-LBPRGKRZSA-N 0 0 393.241 1.557 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)ncc1Br ZINC000193368517 530985589 /nfs/dbraw/zinc/98/55/89/530985589.db2.gz ASLHWPRYHMNFCJ-LBPRGKRZSA-N 0 0 397.273 1.024 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000193478681 530987148 /nfs/dbraw/zinc/98/71/48/530987148.db2.gz WWNFPLTYFHLMSN-GXTWGEPZSA-N 0 0 376.210 1.557 10 0 GDAERN C[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)O1 ZINC000123862803 530988398 /nfs/dbraw/zinc/98/83/98/530988398.db2.gz LHJVYXOUHPOAGQ-NHYWBVRUSA-N 0 0 390.864 1.880 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000195122660 531015818 /nfs/dbraw/zinc/01/58/18/531015818.db2.gz IPUWXWCMGQMSAR-IUODEOHRSA-N 0 0 379.507 1.820 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000195428376 531022498 /nfs/dbraw/zinc/02/24/98/531022498.db2.gz LUAXUNZEJXGQDG-NSHDSACASA-N 0 0 385.877 1.527 10 0 GDAERN CCc1csc([C@@H]2CCCN([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000195442782 531023376 /nfs/dbraw/zinc/02/33/76/531023376.db2.gz JELLBPKEDLVYJX-GZBFAFLISA-N 0 0 385.555 1.577 10 0 GDAERN CS(=O)(=O)Nc1cc(Br)ncc1I ZINC000216421262 531027335 /nfs/dbraw/zinc/02/73/35/531027335.db2.gz NSHVINUWEZFLAL-UHFFFAOYSA-N 0 0 377.001 1.820 10 0 GDAERN O=C1CN(S(=O)(=O)c2ccc(Br)s2)[C@@H]2CCCC[C@@H]2N1 ZINC000246144773 531064470 /nfs/dbraw/zinc/06/44/70/531064470.db2.gz YGKNBRRMNAHVHB-DTWKUNHWSA-N 0 0 379.301 1.942 10 0 GDAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246300698 531066121 /nfs/dbraw/zinc/06/61/21/531066121.db2.gz CABFKQCOOOJCDG-BLLLJJGKSA-N 0 0 386.901 1.884 10 0 GDAERN C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128064605 531036921 /nfs/dbraw/zinc/03/69/21/531036921.db2.gz NYTIHWTVPBOJIS-OLZOCXBDSA-N 0 0 387.274 1.026 10 0 GDAERN O=C(CCCc1ccc(Br)s1)NC[C@@H](O)CN1CCOCC1 ZINC000129045298 531047301 /nfs/dbraw/zinc/04/73/01/531047301.db2.gz UIWADLQKCOLUPP-GFCCVEGCSA-N 0 0 391.331 1.643 10 0 GDAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245792933 531060634 /nfs/dbraw/zinc/06/06/34/531060634.db2.gz OATNJINTXJPWFB-IUODEOHRSA-N 0 0 378.274 1.979 10 0 GDAERN O=C1CCCN1C[C@H](O)CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000247598713 531075722 /nfs/dbraw/zinc/07/57/22/531075722.db2.gz TVRPPWDCHCDXFJ-CZUORRHYSA-N 0 0 383.286 1.806 10 0 GDAERN C[C@H](C[S@@](C)=O)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000248509395 531079175 /nfs/dbraw/zinc/07/91/75/531079175.db2.gz YWWJPMDGWLPFOD-HILDBFKBSA-N 0 0 379.507 1.566 10 0 GDAERN CN1CCO[C@H](CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000132741162 531083620 /nfs/dbraw/zinc/08/36/20/531083620.db2.gz UHQUZSOSJFOVND-CYBMUJFWSA-N 0 0 376.284 1.828 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000249155597 531084751 /nfs/dbraw/zinc/08/47/51/531084751.db2.gz IFJZSCWMGJFSBQ-STQMWFEESA-N 0 0 391.331 1.833 10 0 GDAERN CCN(C[C@H](O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000249306165 531086454 /nfs/dbraw/zinc/08/64/54/531086454.db2.gz GRBDXDIGLRCJBK-KBPBESRZSA-N 0 0 392.315 1.698 10 0 GDAERN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H]1CO ZINC000133395831 531091471 /nfs/dbraw/zinc/09/14/71/531091471.db2.gz MWRHJPSMVHXSKT-ZFWWWQNUSA-N 0 0 386.901 1.724 10 0 GDAERN CCc1noc([C@@H](C)N2CCN(c3cnn(C)c(=O)c3Br)CC2)n1 ZINC000261484826 531093477 /nfs/dbraw/zinc/09/34/77/531093477.db2.gz ZXVVQNUJEFGHNU-SNVBAGLBSA-N 0 0 397.277 1.371 10 0 GDAERN CC1(C)[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)[C@@H]2CCO[C@H]21 ZINC000246993289 531071274 /nfs/dbraw/zinc/07/12/74/531071274.db2.gz HUZVSNKLDAGCNC-DDHJSBNISA-N 0 0 384.523 1.831 10 0 GDAERN O=C(c1cccnc1Br)N1CCN(c2ccc3nncn3n2)CC1 ZINC000135696915 531111352 /nfs/dbraw/zinc/11/13/52/531111352.db2.gz XWLYLFWVZUSCGK-UHFFFAOYSA-N 0 0 388.229 1.244 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)CCO2)[nH]1 ZINC000136434026 531114840 /nfs/dbraw/zinc/11/48/40/531114840.db2.gz SWSVBHOVKQBPNU-OCCSQVGLSA-N 0 0 393.241 1.952 10 0 GDAERN CC[C@@](O)(CNC(=O)C1=NN(C)C(=O)CC1)c1ccc(Br)cc1 ZINC000151110570 531133289 /nfs/dbraw/zinc/13/32/89/531133289.db2.gz PYLCXPUYXBBNFV-MRXNPFEDSA-N 0 0 382.258 1.771 10 0 GDAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000263441360 531144462 /nfs/dbraw/zinc/14/44/62/531144462.db2.gz PVANDTZBQYCFEG-HIFRSBDPSA-N 0 0 391.251 1.271 10 0 GDAERN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154131761 531177713 /nfs/dbraw/zinc/17/77/13/531177713.db2.gz JFAPPCSVHRIAQP-CYBMUJFWSA-N 0 0 397.269 1.927 10 0 GDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000155012879 531193276 /nfs/dbraw/zinc/19/32/76/531193276.db2.gz PFLVZGSOKNCLMS-AWEZNQCLSA-N 0 0 388.555 1.793 10 0 GDAERN CCc1ccc([C@@H]2CCCCN2S(=O)(=O)CCNS(=O)(=O)CC)o1 ZINC000155284910 531198920 /nfs/dbraw/zinc/19/89/20/531198920.db2.gz IHFWCTHIQNCFPL-AWEZNQCLSA-N 0 0 378.516 1.638 10 0 GDAERN O=C(NC[C@H](O)c1ccsc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000155364215 531199675 /nfs/dbraw/zinc/19/96/75/531199675.db2.gz ARIAAZCSXPNNGW-HOTGVXAUSA-N 0 0 380.491 1.751 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156220074 531204346 /nfs/dbraw/zinc/20/43/46/531204346.db2.gz YMVQZWGEROVNPC-LLVKDONJSA-N 0 0 381.234 1.704 10 0 GDAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000408032289 531212916 /nfs/dbraw/zinc/21/29/16/531212916.db2.gz USLGJRMPPRCLGM-MRXNPFEDSA-N 0 0 390.864 1.617 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000408054199 531214262 /nfs/dbraw/zinc/21/42/62/531214262.db2.gz KYEXUUONBXIPLN-KRWDZBQOSA-N 0 0 399.260 1.846 10 0 GDAERN Cc1sc2ncc(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)c(=O)n2c1C ZINC000408104572 531218495 /nfs/dbraw/zinc/21/84/95/531218495.db2.gz FPOHSDIOFSKEEL-CQSZACIVSA-N 0 0 375.372 1.902 10 0 GDAERN C[C@H](C(=O)N1CCN(C)C[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000408114729 531219746 /nfs/dbraw/zinc/21/97/46/531219746.db2.gz ZBGXETRDZNZSLJ-WDEREUQCSA-N 0 0 394.269 1.596 10 0 GDAERN C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC000408113791 531219927 /nfs/dbraw/zinc/21/99/27/531219927.db2.gz UTGPSFSKJOZPGS-SRVKXCTJSA-N 0 0 384.420 1.117 10 0 GDAERN O=C(c1cc(I)ccc1Cl)N1C[C@H](O)C[C@@H]1CO ZINC000408129487 531220685 /nfs/dbraw/zinc/22/06/85/531220685.db2.gz PWSDBTBBNASSLK-RKDXNWHRSA-N 0 0 381.597 1.512 10 0 GDAERN O=S(=O)(c1ccc(Br)cc1)N1CCN(CC2(O)CCC2)CC1 ZINC000408256407 531229399 /nfs/dbraw/zinc/22/93/99/531229399.db2.gz WLOCNKWHJORIJP-UHFFFAOYSA-N 0 0 389.315 1.670 10 0 GDAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000408239236 531228413 /nfs/dbraw/zinc/22/84/13/531228413.db2.gz XRCDPWIZAYZSGA-JHJVBQTASA-N 0 0 376.500 1.095 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000408446136 531242991 /nfs/dbraw/zinc/24/29/91/531242991.db2.gz HMYSQIPLVWOUBX-HOCLYGCPSA-N 0 0 375.535 1.382 10 0 GDAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cnn(C)c1I ZINC000294537980 531483782 /nfs/dbraw/zinc/48/37/82/531483782.db2.gz KEBGMZXQFQRWJZ-VIFPVBQESA-N 0 0 377.182 1.192 10 0 GDAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000270654897 531906789 /nfs/dbraw/zinc/90/67/89/531906789.db2.gz RSDQKTZEFOCKLQ-POYBYMJQSA-N 0 0 376.232 1.074 10 0 GDAERN Cc1noc([C@@H]2CN(C(=O)c3ccc(Br)cc3O)CCN2C)n1 ZINC000284703256 531983251 /nfs/dbraw/zinc/98/32/51/531983251.db2.gz QXVBZLOEGQPVAA-LBPRGKRZSA-N 0 0 381.230 1.975 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(C)cc1Br ZINC000284743022 531987519 /nfs/dbraw/zinc/98/75/19/531987519.db2.gz NHMLMVQIYRDVTE-MFKMUULPSA-N 0 0 391.287 1.329 10 0 GDAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C[C@@H]21 ZINC000284813781 531995178 /nfs/dbraw/zinc/99/51/78/531995178.db2.gz ZZVSERNQYURNKO-KBPBESRZSA-N 0 0 380.388 1.679 10 0 GDAERN Cn1ncc(N2CCCN(C(=O)c3ccncc3)CC2)c(Br)c1=O ZINC000301222433 532028658 /nfs/dbraw/zinc/02/86/58/532028658.db2.gz CITZFGPZYIOXHR-UHFFFAOYSA-N 0 0 392.257 1.290 10 0 GDAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000285193888 532045810 /nfs/dbraw/zinc/04/58/10/532045810.db2.gz WEGRGXWQUHUACT-MNOVXSKESA-N 0 0 379.251 1.652 10 0 GDAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)[nH]1 ZINC000328699722 532091900 /nfs/dbraw/zinc/09/19/00/532091900.db2.gz VUCIZCDUROLXNV-PWSUYJOCSA-N 0 0 383.499 1.595 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCn3ccnc3C2)s1 ZINC000329306014 532102586 /nfs/dbraw/zinc/10/25/86/532102586.db2.gz PAOJSDIDWPVGSD-ZDUSSCGKSA-N 0 0 380.495 1.449 10 0 GDAERN Brc1cc2c(c(CN3CCO[C@@H](Cn4cncn4)C3)c1)OCC2 ZINC000329636406 532107985 /nfs/dbraw/zinc/10/79/85/532107985.db2.gz VCPQDFVWLVECLC-OAHLLOKOSA-N 0 0 379.258 1.877 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000330216770 532117887 /nfs/dbraw/zinc/11/78/87/532117887.db2.gz NJLAUKDBQHWWHY-GVDBMIGSSA-N 0 0 390.571 1.752 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000330217313 532118620 /nfs/dbraw/zinc/11/86/20/532118620.db2.gz NRYVIQPUNLTLAI-OWCLPIDISA-N 0 0 376.544 1.314 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N1CCC[C@@H](n2ccnn2)C1 ZINC000333395649 532232874 /nfs/dbraw/zinc/23/28/74/532232874.db2.gz MXHWQGNNEVXABB-LLVKDONJSA-N 0 0 391.233 1.952 10 0 GDAERN CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333100217 532219455 /nfs/dbraw/zinc/21/94/55/532219455.db2.gz CGCFIGJMVSOGOF-IPYPFGDCSA-N 0 0 378.560 1.687 10 0 GDAERN COc1ccc(CC(=O)N2CC[C@H]3NC(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 ZINC000004236344 291110438 /nfs/dbraw/zinc/11/04/38/291110438.db2.gz HSSBBPPCKUFOQJ-MJGOQNOKSA-N 0 0 379.416 1.964 10 0 biogenic GDAERN O=C(OCc1ccccc1)N1C[C@H](O)[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]21 ZINC000255973430 212139000 /nfs/dbraw/zinc/13/90/00/212139000.db2.gz GBRJHLWAZWZRJM-WKWVNEEDSA-N 0 0 385.416 1.843 10 0 GDAERN [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000078217755 212134106 /nfs/dbraw/zinc/13/41/06/212134106.db2.gz SCIBOUZRPFCBFX-JKSUJKDBSA-N 0 0 377.441 1.486 10 0 GDAERN O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1ccc(OCC(F)(F)F)nc1 ZINC000328636669 212089279 /nfs/dbraw/zinc/08/92/79/212089279.db2.gz VQLPKQZYVZFTCP-NSHDSACASA-N 0 0 390.387 1.760 10 0 GDAERN OC[C@@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H]1O ZINC000166031955 212078057 /nfs/dbraw/zinc/07/80/57/212078057.db2.gz RYLVNYDICPAOQR-KKBFJBPOSA-N 0 0 378.606 1.402 10 0 GDAERN CSCC(=O)N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]12 ZINC000008644046 221048615 /nfs/dbraw/zinc/04/86/15/221048615.db2.gz UFCBNKZQCLWETD-AAEUAGOBSA-N 0 0 398.282 1.464 10 0 GDAERN Cn1c2ccc(CNC(=O)c3cn(CC4CCCCC4)nn3)cc2n(C)c1=O ZINC000012028745 221143073 /nfs/dbraw/zinc/14/30/73/221143073.db2.gz HVSGUAFYRUNGED-UHFFFAOYSA-N 0 0 382.468 1.979 10 0 GDAERN COc1cccc(C(=O)NCCn2cc(C(=O)NCC(C)C)nn2)c1OC ZINC000014957856 221320665 /nfs/dbraw/zinc/32/06/65/221320665.db2.gz ACXLGNPXCUWAOE-UHFFFAOYSA-N 0 0 375.429 1.111 10 0 GDAERN Cc1cc2n(n1)CCCN2CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015769909 221343132 /nfs/dbraw/zinc/34/31/32/221343132.db2.gz YKDBCWVOOLLTNX-UHFFFAOYSA-N 0 0 397.479 1.475 10 0 GDAERN CC(=O)N1CCN(c2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1 ZINC000064560059 136156978 /nfs/dbraw/zinc/15/69/78/136156978.db2.gz WZFXMNAZJJHQFB-UHFFFAOYSA-N 0 0 383.452 1.354 10 0 GDAERN COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000065170353 136159789 /nfs/dbraw/zinc/15/97/89/136159789.db2.gz YODJRSITIMETHQ-NRFANRHFSA-N 0 0 394.475 1.503 10 0 GDAERN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(C(=O)c1ccnnc1)CCC2 ZINC000096083047 222378268 /nfs/dbraw/zinc/37/82/68/222378268.db2.gz IEKPHESHAQSXKC-UWJYYQICSA-N 0 0 394.479 1.319 10 0 GDAERN Cc1cc(C)n(-c2nc(-c3cccnc3)cc(N3CC[NH+](CC(=O)[O-])CC3)n2)n1 ZINC000073685783 524498175 /nfs/dbraw/zinc/49/81/75/524498175.db2.gz TYLRMOABCHRVNO-UHFFFAOYSA-N 0 0 393.451 1.548 10 0 GDAERN NS(=O)(=O)c1ccc(CCn2c(=O)[nH]c3ccc(Cl)cc3c2=O)cc1 ZINC000073658246 527311815 /nfs/dbraw/zinc/31/18/15/527311815.db2.gz OUNUNCSHHCRNLY-UHFFFAOYSA-N 0 0 379.825 1.233 10 0 GDAERN COc1cccc(CC(=O)N[C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)c1 ZINC000225506434 560042382 /nfs/dbraw/zinc/04/23/82/560042382.db2.gz AXEJYRSPZNFEGI-JKMAKKBCSA-N 0 0 386.448 1.247 10 0 biogenic GDAERN O=C(C1CCOCC1)N1CCC[C@@H](CS(=O)(=O)NCc2ccccn2)C1 ZINC000521396655 570457560 /nfs/dbraw/zinc/45/75/60/570457560.db2.gz BUKXLUPFAQICMI-OAHLLOKOSA-N 0 0 381.498 1.166 10 0 GDAERN COCCNC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000034768454 570543831 /nfs/dbraw/zinc/54/38/31/570543831.db2.gz HGYQULKBDWTXDA-UHFFFAOYSA-N 0 0 384.358 1.882 10 0 GDAERN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]21 ZINC000034425170 570667502 /nfs/dbraw/zinc/66/75/02/570667502.db2.gz GBRJHLWAZWZRJM-IVDHNXQLSA-N 0 0 385.416 1.843 10 0 in-vitro GDAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H]3CCCn4ncnc43)cc21 ZINC000176743068 570723591 /nfs/dbraw/zinc/72/35/91/570723591.db2.gz KALJEGJEUDWIHK-OAHLLOKOSA-N 0 0 375.454 1.391 10 0 GDAERN COc1ccc2c(c1C[C@H](O)C(C)(C)O)O[C@H]1c3ccc(O)cc3OC[C@@]21O ZINC000238747599 570781155 /nfs/dbraw/zinc/78/11/55/570781155.db2.gz TWRMBVPWOVPEPJ-HFSMHLIXSA-N 0 0 388.416 1.789 10 0 biogenic GDAERN COCCN(C)c1cnn([C@@H]2CCCN(C(=O)c3scnc3C)C2)c(=O)c1 ZINC000583620168 570800814 /nfs/dbraw/zinc/80/08/14/570800814.db2.gz KTLYFSGAIOKFNR-CQSZACIVSA-N 0 0 391.497 1.568 10 0 GDAERN COCCN(C)c1cnn([C@H]2CCCN(c3ncnc4c3CCCC4)C2)c(=O)c1 ZINC000583617454 570801449 /nfs/dbraw/zinc/80/14/49/570801449.db2.gz RRUCQPLIKDDGJX-INIZCTEOSA-N 0 0 398.511 1.836 10 0 GDAERN O=C(NC[C@@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1)c1cccn1C1CC1 ZINC000583622161 570802406 /nfs/dbraw/zinc/80/24/06/570802406.db2.gz TVNDZQIHBXHDRQ-OAHLLOKOSA-N 0 0 397.479 1.484 10 0 GDAERN C[C@@H](OC(=O)CN(C)S(C)(=O)=O)c1ccc(I)cc1 ZINC000066232440 644541353 /nfs/dbraw/zinc/54/13/53/644541353.db2.gz NRTNDNQEHPBHQI-SECBINFHSA-N 0 0 397.234 1.787 10 0 GDAERN Cc1csc([C@@H]2CN(Cn3nnn(C4CCOCC4)c3=S)CCO2)n1 ZINC000106062750 644612097 /nfs/dbraw/zinc/61/20/97/644612097.db2.gz QVLAJMXRKNZZQN-ZDUSSCGKSA-N 0 0 382.515 1.957 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000120084295 644666318 /nfs/dbraw/zinc/66/63/18/644666318.db2.gz PIILNUPJJFTSHM-UHFFFAOYSA-N 0 0 390.981 1.967 10 0 GDAERN Cc1ncc(CN2CCN(Cn3nc(CO)n(C4CC4)c3=S)CC2)s1 ZINC000132591060 644749764 /nfs/dbraw/zinc/74/97/64/644749764.db2.gz IAVDGPVGOVLXCA-UHFFFAOYSA-N 0 0 380.543 1.782 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000135689120 644766662 /nfs/dbraw/zinc/76/66/62/644766662.db2.gz GHNDNUKMXFTHTR-WFASDCNBSA-N 0 0 390.937 1.261 10 0 GDAERN CCOCCN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C ZINC000152050874 644785500 /nfs/dbraw/zinc/78/55/00/644785500.db2.gz JCPUYIOCTYRPEO-ZDUSSCGKSA-N 0 0 388.917 1.926 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)c1ccccc1Br ZINC000154835502 644806027 /nfs/dbraw/zinc/80/60/27/644806027.db2.gz QWBWUWQMYQOZPU-LBPRGKRZSA-N 0 0 389.275 1.665 10 0 GDAERN CC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)ccc1Br ZINC000189177027 645011773 /nfs/dbraw/zinc/01/17/73/645011773.db2.gz JULMTCXEYXJYGN-KOLCDFICSA-N 0 0 376.272 1.901 10 0 GDAERN O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccoc1Br ZINC000194899974 645064536 /nfs/dbraw/zinc/06/45/36/645064536.db2.gz SDHYPPGISVMLPE-RYUDHWBXSA-N 0 0 385.170 1.775 10 0 GDAERN O=C(c1nn2c(c1Br)OCCC2)N1CCN(c2ccccn2)CC1 ZINC000223787147 645074343 /nfs/dbraw/zinc/07/43/43/645074343.db2.gz MHQLWDCOQQAWOP-UHFFFAOYSA-N 0 0 392.257 1.786 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246596345 645095895 /nfs/dbraw/zinc/09/58/95/645095895.db2.gz BAEGITFCVRYEBG-OLZOCXBDSA-N 0 0 388.917 1.661 10 0 GDAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C[C@@H]21 ZINC000328870963 645284031 /nfs/dbraw/zinc/28/40/31/645284031.db2.gz IFDCSQUJGWCQTN-QWHCGFSZSA-N 0 0 388.873 1.205 10 0 GDAERN CCCN(CC1CC1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000328885866 645285259 /nfs/dbraw/zinc/28/52/59/645285259.db2.gz NQBIVJAUHGCJLK-HNNXBMFYSA-N 0 0 375.560 1.393 10 0 GDAERN Cc1nc([C@@H]2CCCN2C(=O)CSc2nnnn2CC(F)(F)F)no1 ZINC000329356902 645308359 /nfs/dbraw/zinc/30/83/59/645308359.db2.gz FWPVPNSEHNUMOV-QMMMGPOBSA-N 0 0 377.352 1.383 10 0 GDAERN CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC[C@@H]1CCCCN1C(C)=O ZINC000330194760 645347386 /nfs/dbraw/zinc/34/73/86/645347386.db2.gz ZEARTDRHSSPMPE-HOTGVXAUSA-N 0 0 394.559 1.006 10 0 GDAERN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 ZINC000702761659 654832813 /nfs/dbraw/zinc/83/28/13/654832813.db2.gz BWHPYVNREUEIAX-QWHCGFSZSA-N 0 0 390.527 1.871 10 0 GDAERN COC(=O)c1ccc2c(I)cn(S(C)(=O)=O)c2c1 ZINC000757192947 655035569 /nfs/dbraw/zinc/03/55/69/655035569.db2.gz XHKWIQOUDDBHTF-UHFFFAOYSA-N 0 0 379.175 1.840 10 0 GDAERN C[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)[C@@H]1CCCO1 ZINC000900188083 659090021 /nfs/dbraw/zinc/09/00/21/659090021.db2.gz QSGSLJMUIXTPSU-RQJHMYQMSA-N 0 0 382.056 1.487 10 0 GDAERN O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCOC[C@H]1CO ZINC000912422761 660036417 /nfs/dbraw/zinc/03/64/17/660036417.db2.gz RWGQHBGWMZMGOA-NWDGAFQWSA-N 0 0 383.242 1.022 10 0 GDAERN C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000716177829 955128777 /nfs/dbraw/zinc/12/87/77/955128777.db2.gz NTNVBMCRPWRFSL-CRAIPNDOSA-N 0 0 395.525 1.528 10 0 GDAERN [NH3+]C1(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC000686816076 976118864 /nfs/dbraw/zinc/11/88/64/976118864.db2.gz VHRPVTPWLXFQTR-KRWDZBQOSA-N 0 0 375.469 1.072 10 0 GDAERN CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000707713559 977399422 /nfs/dbraw/zinc/39/94/22/977399422.db2.gz FRSCSARWBRNPTR-WRWLIDTKSA-N 0 0 375.469 1.782 10 0 GDAERN O=C([O-])c1nc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000721427560 978105151 /nfs/dbraw/zinc/10/51/51/978105151.db2.gz QVYHRCNULOGOOO-CVEARBPZSA-N 0 0 387.461 1.957 10 0 GDAERN Cc1[nH]c(=O)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000163181527 530574105 /nfs/dbraw/zinc/57/41/05/530574105.db2.gz ZLWBFTSXIXHNIH-IINYFYTJSA-N 0 0 384.274 1.651 10 0 GDAERN CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1Cl ZINC000170898281 530590764 /nfs/dbraw/zinc/59/07/64/530590764.db2.gz HHLBLEFCOJWWOH-GFCCVEGCSA-N 0 0 383.861 1.780 10 0 GDAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000171287214 530596937 /nfs/dbraw/zinc/59/69/37/530596937.db2.gz FTGATHJLKMSQBD-CABCVRRESA-N 0 0 396.285 1.249 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)cn3)CC2)no1 ZINC000171863348 530604896 /nfs/dbraw/zinc/60/48/96/530604896.db2.gz SKVSEMSSUGCUOC-UHFFFAOYSA-N 0 0 380.246 1.884 10 0 GDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000172262143 530610947 /nfs/dbraw/zinc/61/09/47/530610947.db2.gz YAPYKYMLBHMYEW-MRVPVSSYSA-N 0 0 376.269 1.836 10 0 GDAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172404172 530612693 /nfs/dbraw/zinc/61/26/93/530612693.db2.gz LUOGRMFKXGQWOP-STQMWFEESA-N 0 0 384.523 1.634 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1Br ZINC000173351591 530628334 /nfs/dbraw/zinc/62/83/34/530628334.db2.gz VDTRSXYIECPCSJ-AWEZNQCLSA-N 0 0 396.285 1.629 10 0 GDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)CC2 ZINC000173390284 530629226 /nfs/dbraw/zinc/62/92/26/530629226.db2.gz QGWNKOPWMSSYRY-JTQLQIEISA-N 0 0 380.246 1.597 10 0 GDAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)CC2 ZINC000173645556 530634045 /nfs/dbraw/zinc/63/40/45/530634045.db2.gz PUSDPTZIFYYVMC-JTQLQIEISA-N 0 0 380.246 1.597 10 0 GDAERN C[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnc2)c1 ZINC000173949632 530640263 /nfs/dbraw/zinc/64/02/63/530640263.db2.gz ZECMJMUCEKAVQZ-BBRMVZONSA-N 0 0 379.507 1.970 10 0 GDAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3cccc(Br)c3)CCO2)[nH]1 ZINC000174099799 530643267 /nfs/dbraw/zinc/64/32/67/530643267.db2.gz MJWWINAOHZCHAY-ZFWWWQNUSA-N 0 0 397.273 1.689 10 0 GDAERN Cc1ccc([C@H](CNS(=O)(=O)CCOC(C)C)N2CCOCC2)s1 ZINC000175216483 530660555 /nfs/dbraw/zinc/66/05/55/530660555.db2.gz LQXQBOMAZPWWSD-HNNXBMFYSA-N 0 0 376.544 1.774 10 0 GDAERN Cc1c(C(=O)N2[C@H](C)COC[C@@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000176421217 530683386 /nfs/dbraw/zinc/68/33/86/530683386.db2.gz CAKYYXBUDDIUNC-DTORHVGOSA-N 0 0 391.287 1.654 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000176020031 530675035 /nfs/dbraw/zinc/67/50/35/530675035.db2.gz XTTNOYDWPDUGSN-LBPRGKRZSA-N 0 0 378.230 1.939 10 0 GDAERN O=Cc1ccc(OCC(=O)N[C@H]2CCCn3ncnc32)c(Br)c1 ZINC000176134398 530677720 /nfs/dbraw/zinc/67/77/20/530677720.db2.gz VOAAKKVCFIYDJM-LBPRGKRZSA-N 0 0 379.214 1.883 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000177173166 530698657 /nfs/dbraw/zinc/69/86/57/530698657.db2.gz FNOHCOWEISFANE-CQSZACIVSA-N 0 0 379.258 1.807 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)s1 ZINC000177375019 530702629 /nfs/dbraw/zinc/70/26/29/530702629.db2.gz RPFGRDJLWYQUHX-GFCCVEGCSA-N 0 0 383.499 1.227 10 0 GDAERN C[C@H](SC[C@@H](O)CO)C(=O)Nc1ccc(I)cc1 ZINC000177442968 530703298 /nfs/dbraw/zinc/70/32/98/530703298.db2.gz IXAPFMNGOLGCEN-KWQFWETISA-N 0 0 381.235 1.705 10 0 GDAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626531 530706869 /nfs/dbraw/zinc/70/68/69/530706869.db2.gz ZYWRMALGEZPKFZ-LBPRGKRZSA-N 0 0 392.257 1.727 10 0 GDAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177611007 530707061 /nfs/dbraw/zinc/70/70/61/530707061.db2.gz ASBVDXZBYSHXJR-CYBMUJFWSA-N 0 0 383.861 1.447 10 0 GDAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000055312755 530708369 /nfs/dbraw/zinc/70/83/69/530708369.db2.gz WKFJTBGLJDBLSV-ZIAGYGMSSA-N 0 0 386.901 1.988 10 0 GDAERN COCCN(C(=O)N[C@H](C)c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179508720 530743122 /nfs/dbraw/zinc/74/31/22/530743122.db2.gz PPTCGIIAZPPYMM-DGCLKSJQSA-N 0 0 376.425 1.871 10 0 GDAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)NC[C@]1(O)CCOC1 ZINC000179544822 530743393 /nfs/dbraw/zinc/74/33/93/530743393.db2.gz FFDWGVPYNNXSMI-SUMWQHHRSA-N 0 0 398.301 1.726 10 0 GDAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)N1CCNC(=O)C1 ZINC000057199834 530724321 /nfs/dbraw/zinc/72/43/21/530724321.db2.gz KFKLFWUQBVTPHB-GFCCVEGCSA-N 0 0 381.274 1.417 10 0 GDAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(C)C ZINC000178838761 530728828 /nfs/dbraw/zinc/72/88/28/530728828.db2.gz GBKOYBWFPWPUIH-XHDPSFHLSA-N 0 0 396.285 1.689 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000179808891 530750315 /nfs/dbraw/zinc/75/03/15/530750315.db2.gz RIFYGAZVVSYYGB-SNVBAGLBSA-N 0 0 379.218 1.238 10 0 GDAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1Br ZINC000179851806 530751807 /nfs/dbraw/zinc/75/18/07/530751807.db2.gz CYOYIJVLWMSKAZ-GFCCVEGCSA-N 0 0 392.257 1.979 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000180047262 530755848 /nfs/dbraw/zinc/75/58/48/530755848.db2.gz MPPYHTBMLCFQRI-VIFPVBQESA-N 0 0 392.200 1.113 10 0 GDAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C ZINC000180123997 530758456 /nfs/dbraw/zinc/75/84/56/530758456.db2.gz MBKMRMGIFCRUFK-VHSXEESVSA-N 0 0 375.803 1.470 10 0 GDAERN Cc1nc(S(=O)(=O)NC2CCC(C(=O)N3CCSCC3)CC2)cn1C ZINC000066103063 530758870 /nfs/dbraw/zinc/75/88/70/530758870.db2.gz DUTXEFZNUGSFQC-UHFFFAOYSA-N 0 0 386.543 1.141 10 0 GDAERN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180219098 530760949 /nfs/dbraw/zinc/76/09/49/530760949.db2.gz GJCKTSJJBHPPFP-LDYMZIIASA-N 0 0 375.194 1.068 10 0 GDAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000179720657 530748415 /nfs/dbraw/zinc/74/84/15/530748415.db2.gz NQKAHASEJGTOHW-NSHDSACASA-N 0 0 376.638 1.227 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CCN1CCOC ZINC000179725632 530748664 /nfs/dbraw/zinc/74/86/64/530748664.db2.gz RLPZHXNHAFOXIL-GFCCVEGCSA-N 0 0 399.289 1.352 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)COc2ccc(Br)cc2)cn1 ZINC000181344883 530781826 /nfs/dbraw/zinc/78/18/26/530781826.db2.gz YJXNXOKZKAYPRU-OAHLLOKOSA-N 0 0 379.258 1.735 10 0 GDAERN CC(C)c1nnc(CS(=O)(=O)[C@H](C)C(=O)NCCc2cccs2)n1C ZINC000182393647 530798678 /nfs/dbraw/zinc/79/86/78/530798678.db2.gz ZUSPXTVTGWRVRR-GFCCVEGCSA-N 0 0 384.527 1.662 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cnc1Br ZINC000182815983 530805442 /nfs/dbraw/zinc/80/54/42/530805442.db2.gz LIXISDLAVYSUDB-CYBMUJFWSA-N 0 0 381.274 1.788 10 0 GDAERN COCc1c(Br)cccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000102088070 530827666 /nfs/dbraw/zinc/82/76/66/530827666.db2.gz PJNXTIXPFOULIM-UHFFFAOYSA-N 0 0 396.285 1.841 10 0 GDAERN CN(C[C@H]1CCCO1)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000102905423 530830987 /nfs/dbraw/zinc/83/09/87/530830987.db2.gz XNKOOGMZKBNUAQ-CQSZACIVSA-N 0 0 384.274 1.999 10 0 GDAERN CC[C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CCN1CCOC ZINC000184750095 530831781 /nfs/dbraw/zinc/83/17/81/530831781.db2.gz FMZVBZAQXBQLGS-LBPRGKRZSA-N 0 0 384.424 1.177 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CCO1 ZINC000103310715 530834082 /nfs/dbraw/zinc/83/40/82/530834082.db2.gz YJECNAAIMPCJBG-SMDDNHRTSA-N 0 0 385.258 1.964 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000184309910 530826634 /nfs/dbraw/zinc/82/66/34/530826634.db2.gz HWPCDSBBHUPKQE-LBPRGKRZSA-N 0 0 379.766 1.744 10 0 GDAERN C[C@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[C@H]1CCCO1 ZINC000186583074 530858397 /nfs/dbraw/zinc/85/83/97/530858397.db2.gz MSBJJGUPFQXDDH-VHSXEESVSA-N 0 0 379.408 1.956 10 0 GDAERN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1cscn1 ZINC000104345130 530837908 /nfs/dbraw/zinc/83/79/08/530837908.db2.gz DQTMZMAEPSALIH-UHFFFAOYSA-N 0 0 379.385 1.757 10 0 GDAERN COCC(=O)NC1CN(C(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000185222376 530838457 /nfs/dbraw/zinc/83/84/57/530838457.db2.gz VIWJLWABWDATOO-UHFFFAOYSA-N 0 0 375.650 1.618 10 0 GDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000185291957 530840226 /nfs/dbraw/zinc/84/02/26/530840226.db2.gz DGBDWGCCHLQIEX-SNVBAGLBSA-N 0 0 387.249 1.740 10 0 GDAERN O=C(CN1CCN(Cc2ccccc2Br)CC1)N1CCOCC1 ZINC000105018355 530841697 /nfs/dbraw/zinc/84/16/97/530841697.db2.gz SKYLTHRZRIAISM-UHFFFAOYSA-N 0 0 382.302 1.426 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000188869061 530902632 /nfs/dbraw/zinc/90/26/32/530902632.db2.gz MALFTCGUQWPBAS-SSDOTTSWSA-N 0 0 394.159 1.920 10 0 GDAERN COCC(=O)NC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000187713319 530876564 /nfs/dbraw/zinc/87/65/64/530876564.db2.gz TYHGCGNIVNELTR-UHFFFAOYSA-N 0 0 386.779 1.494 10 0 GDAERN Cc1cnn(C[C@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCO2)c1 ZINC000112064740 530877914 /nfs/dbraw/zinc/87/79/14/530877914.db2.gz KOCTTXPBFOAYFB-CQSZACIVSA-N 0 0 395.257 1.043 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000187917349 530880250 /nfs/dbraw/zinc/88/02/50/530880250.db2.gz XFBXCJKHORYQNX-GFCCVEGCSA-N 0 0 386.221 1.572 10 0 GDAERN CCc1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000112551269 530882519 /nfs/dbraw/zinc/88/25/19/530882519.db2.gz YVHRXTURELCCCJ-DOMZBBRYSA-N 0 0 378.274 1.734 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000188176744 530887881 /nfs/dbraw/zinc/88/78/81/530887881.db2.gz IFVJIKYKVZEQPZ-LBPRGKRZSA-N 0 0 384.274 1.708 10 0 GDAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)C1 ZINC000188487341 530895637 /nfs/dbraw/zinc/89/56/37/530895637.db2.gz DFIBIYRLDSBJIX-LBPRGKRZSA-N 0 0 398.301 1.927 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000114865983 530896607 /nfs/dbraw/zinc/89/66/07/530896607.db2.gz DEIDMYOLSJSCDU-GFCCVEGCSA-N 0 0 382.873 1.399 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000114865985 530897107 /nfs/dbraw/zinc/89/71/07/530897107.db2.gz DEIDMYOLSJSCDU-LBPRGKRZSA-N 0 0 382.873 1.399 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c(Cl)nc3ccccn31)CC2 ZINC000114874520 530897292 /nfs/dbraw/zinc/89/72/92/530897292.db2.gz GJFKRGCQXJSBQI-JTQLQIEISA-N 0 0 380.861 1.435 10 0 GDAERN COc1cc(/C=C/C(=O)N2CCCN(C)C(=O)C2)cc(Br)c1O ZINC000190362791 530929224 /nfs/dbraw/zinc/92/92/24/530929224.db2.gz KLZMHSCLDMYVGE-SNAWJCMRSA-N 0 0 383.242 1.867 10 0 GDAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cnc(Cl)c(C)c3)CCO2)n1 ZINC000117364633 530911861 /nfs/dbraw/zinc/91/18/61/530911861.db2.gz VNKKQRAFGURUHL-AWEZNQCLSA-N 0 0 384.889 1.946 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000117522174 530912809 /nfs/dbraw/zinc/91/28/09/530912809.db2.gz MNVVTWMXCLUZHG-LBPRGKRZSA-N 0 0 384.274 1.567 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000117369678 530912849 /nfs/dbraw/zinc/91/28/49/530912849.db2.gz YQIYMPQTVNVEPN-LBPRGKRZSA-N 0 0 382.404 1.926 10 0 GDAERN Cc1ccc(I)c(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189413509 530913320 /nfs/dbraw/zinc/91/33/20/530913320.db2.gz HJGNRJARCUHZOR-UHFFFAOYSA-N 0 0 384.217 1.950 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)CNc2c(F)cc(Br)cc2F)C1 ZINC000118964855 530919497 /nfs/dbraw/zinc/91/94/97/530919497.db2.gz IUKCPRKDNALFTB-MRVPVSSYSA-N 0 0 376.201 1.863 10 0 GDAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000190074796 530924924 /nfs/dbraw/zinc/92/49/24/530924924.db2.gz CKCDZSLZZFSXAL-LBPRGKRZSA-N 0 0 381.274 1.558 10 0 GDAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000192080827 530961182 /nfs/dbraw/zinc/96/11/82/530961182.db2.gz YYAVBCHSUAWXTO-MRVPVSSYSA-N 0 0 398.648 1.764 10 0 GDAERN O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000120535879 530941779 /nfs/dbraw/zinc/94/17/79/530941779.db2.gz LZEMGSLFFLTIPJ-OLZOCXBDSA-N 0 0 380.246 1.908 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1=O ZINC000192202810 530965062 /nfs/dbraw/zinc/96/50/62/530965062.db2.gz NRWUVVOJTFCYRD-UHFFFAOYSA-N 0 0 388.649 1.732 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000191762951 530954246 /nfs/dbraw/zinc/95/42/46/530954246.db2.gz TYCNPLNVWFKGIA-VXGBXAGGSA-N 0 0 394.269 1.539 10 0 GDAERN O=C(COc1cccc(I)c1)N[C@H]1CCCn2ncnc21 ZINC000192690133 530972546 /nfs/dbraw/zinc/97/25/46/530972546.db2.gz JJYOQAQQHOHVDM-LBPRGKRZSA-N 0 0 398.204 1.913 10 0 GDAERN O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000192832235 530974003 /nfs/dbraw/zinc/97/40/03/530974003.db2.gz MRHTXLSRPJCPCZ-CYBMUJFWSA-N 0 0 380.436 1.964 10 0 GDAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000123260168 530981506 /nfs/dbraw/zinc/98/15/06/530981506.db2.gz HFZLWAVXBCTQHY-MNOVXSKESA-N 0 0 378.903 1.802 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1C ZINC000193276787 530983036 /nfs/dbraw/zinc/98/30/36/530983036.db2.gz MZALCLDAYZMVNH-LBPRGKRZSA-N 0 0 399.289 1.352 10 0 GDAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000193284074 530983336 /nfs/dbraw/zinc/98/33/36/530983336.db2.gz RMRJVYQHUWZRFJ-ZDUSSCGKSA-N 0 0 396.285 1.323 10 0 GDAERN O=C(c1ccoc1Br)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000193732940 530992242 /nfs/dbraw/zinc/99/22/42/530992242.db2.gz BAVJUFJJAXBFQU-SNVBAGLBSA-N 0 0 377.260 1.682 10 0 GDAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC=C(c2cccs2)CC1 ZINC000193930969 530996426 /nfs/dbraw/zinc/99/64/26/530996426.db2.gz VWMFVARUNZVLRZ-UHFFFAOYSA-N 0 0 378.541 1.449 10 0 GDAERN CN(CCO)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000193984949 530997705 /nfs/dbraw/zinc/99/77/05/530997705.db2.gz WKQZCFQOJHKVMK-OAHLLOKOSA-N 0 0 380.491 1.314 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cc(Cl)ccc1Br ZINC000193615052 530990345 /nfs/dbraw/zinc/99/03/45/530990345.db2.gz JUQZHPITVOFAJL-TZMCWYRMSA-N 0 0 389.677 1.743 10 0 GDAERN CN(C)c1noc([C@H]2CCCN(C(=O)c3cc(Br)nn3C)C2)n1 ZINC000194503093 531005765 /nfs/dbraw/zinc/00/57/65/531005765.db2.gz UJAGCXQBHJDKHV-VIFPVBQESA-N 0 0 383.250 1.651 10 0 GDAERN CN1CCO[C@@H](CNC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000194619912 531007695 /nfs/dbraw/zinc/00/76/95/531007695.db2.gz QZVSRXWWTPNFIK-AWEZNQCLSA-N 0 0 381.889 1.460 10 0 GDAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000126327709 531017840 /nfs/dbraw/zinc/01/78/40/531017840.db2.gz CXDQETGGTRMRMN-LBPRGKRZSA-N 0 0 383.297 1.106 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000126463364 531018210 /nfs/dbraw/zinc/01/82/10/531018210.db2.gz HUBVZNFFVCKHIT-AWEZNQCLSA-N 0 0 381.885 1.886 10 0 GDAERN CC(C)c1nnc2n1C[C@H](NC(=O)Cn1cc(Br)ccc1=O)CC2 ZINC000195272776 531019612 /nfs/dbraw/zinc/01/96/12/531019612.db2.gz NVMMFRMISCRPBE-GFCCVEGCSA-N 0 0 394.273 1.457 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CCC(=O)N1CCc2sccc2C1 ZINC000195427126 531022398 /nfs/dbraw/zinc/02/23/98/531022398.db2.gz LGPCXLUIDQOCJH-UHFFFAOYSA-N 0 0 383.499 1.205 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000195429406 531022526 /nfs/dbraw/zinc/02/25/26/531022526.db2.gz CMFORBFFUXNHTJ-LLVKDONJSA-N 0 0 385.877 1.527 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CCC(=O)Nc1ccc(Cl)cc1F ZINC000195428656 531022618 /nfs/dbraw/zinc/02/26/18/531022618.db2.gz FXCOXJJJUOPUOE-UHFFFAOYSA-N 0 0 389.840 1.990 10 0 GDAERN CCN1CCO[C@@H](CNC(=O)c2ccc(I)c(O)c2)C1 ZINC000230895236 531035106 /nfs/dbraw/zinc/03/51/06/531035106.db2.gz QAXANNRECBBDPN-NSHDSACASA-N 0 0 390.221 1.447 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127652141 531032335 /nfs/dbraw/zinc/03/23/35/531032335.db2.gz JFWJRZVRFWIYEC-BDJLRTHQSA-N 0 0 385.258 1.926 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1Br ZINC000194204916 531001316 /nfs/dbraw/zinc/00/13/16/531001316.db2.gz WQCZIXYGTONINT-GFCCVEGCSA-N 0 0 392.257 1.979 10 0 GDAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCO[C@H](Cn2cccn2)C1 ZINC000194296866 531002383 /nfs/dbraw/zinc/00/23/83/531002383.db2.gz HYHPHXBWJQGIAU-GOEBONIOSA-N 0 0 392.253 1.877 10 0 GDAERN Cn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc(Br)c1=O ZINC000245944966 531061397 /nfs/dbraw/zinc/06/13/97/531061397.db2.gz BHFYRQJSCJXBGX-YUSALJHKSA-N 0 0 398.257 1.016 10 0 GDAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246084124 531063010 /nfs/dbraw/zinc/06/30/10/531063010.db2.gz HQEBCPZYIKSABJ-OLZOCXBDSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000131019925 531066458 /nfs/dbraw/zinc/06/64/58/531066458.db2.gz LKQZFFQGIGZGDQ-HTRCEHHLSA-N 0 0 383.289 1.082 10 0 GDAERN CCS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000128842187 531045262 /nfs/dbraw/zinc/04/52/62/531045262.db2.gz USHCPDRJPCMOLL-MRXNPFEDSA-N 0 0 376.906 1.185 10 0 GDAERN C[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Br)cc1F ZINC000131164851 531068263 /nfs/dbraw/zinc/06/82/63/531068263.db2.gz MDZKYPRXYKNPHD-VIFPVBQESA-N 0 0 385.189 1.753 10 0 GDAERN CN1CC[C@@H](CNC(=O)NCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245706278 531059608 /nfs/dbraw/zinc/05/96/08/531059608.db2.gz OIISCHUVCMXSJO-SWLSCSKDSA-N 0 0 391.896 1.816 10 0 GDAERN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000247232249 531073713 /nfs/dbraw/zinc/07/37/13/531073713.db2.gz DAVSLVYCCCTGSJ-NSHDSACASA-N 0 0 378.903 1.212 10 0 GDAERN O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H](O)CN1CCOCC1 ZINC000132377722 531080562 /nfs/dbraw/zinc/08/05/62/531080562.db2.gz GNJRMRIILAXIPW-CYBMUJFWSA-N 0 0 396.285 1.282 10 0 GDAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248677696 531081092 /nfs/dbraw/zinc/08/10/92/531081092.db2.gz DLWHXYGCGBXRQF-OLZOCXBDSA-N 0 0 391.331 1.833 10 0 GDAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000248689265 531081585 /nfs/dbraw/zinc/08/15/85/531081585.db2.gz IDDCDPOUMASVIW-GHMZBOCLSA-N 0 0 396.328 1.954 10 0 GDAERN C[C@H](CC(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000132551338 531082324 /nfs/dbraw/zinc/08/23/24/531082324.db2.gz JMBJJEVZXQRIQD-CZUORRHYSA-N 0 0 385.302 1.752 10 0 GDAERN NC(=O)[C@H](Cc1ccc(Cl)cc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000248866267 531082493 /nfs/dbraw/zinc/08/24/93/531082493.db2.gz HXMVJHWNUDCAOR-CVEARBPZSA-N 0 0 385.917 1.236 10 0 GDAERN Cc1noc([C@H]2COCCN2C[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000249353446 531086217 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390.571 1.752 10 0 GDAERN CN(C)c1cc(NC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)ncc1Br ZINC000333599114 532241942 /nfs/dbraw/zinc/24/19/42/532241942.db2.gz CLVXRKMAHMGPMG-STQMWFEESA-N 0 0 384.278 1.457 10 0 GDAERN CN(C)c1cc(NC(=O)N2CCO[C@]3(CCOC3)C2)ncc1Br ZINC000333658983 532243935 /nfs/dbraw/zinc/24/39/35/532243935.db2.gz LUQAGBRZZWPCOA-OAHLLOKOSA-N 0 0 385.262 1.933 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000333680977 532245003 /nfs/dbraw/zinc/24/50/03/532245003.db2.gz PKZQQGQCEVPHRL-IAQYHMDHSA-N 0 0 396.245 1.951 10 0 GDAERN O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333917653 532256374 /nfs/dbraw/zinc/25/63/74/532256374.db2.gz NXNCGEVIGKBSQR-HBNTYKKESA-N 0 0 383.861 1.302 10 0 GDAERN Cc1nc(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)sc1Br ZINC000333922275 532257342 /nfs/dbraw/zinc/25/73/42/532257342.db2.gz REKYZQXZLKUORP-IVZWLZJFSA-N 0 0 381.317 1.996 10 0 GDAERN O=C(OCc1ccccc1)N1C[C@H](O)[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]21 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C[C@@H]1CN(Cn2ccc(-c3ccc(Br)cc3)n2)C[C@@H](C(N)=O)O1 ZINC000163369198 644859950 /nfs/dbraw/zinc/85/99/50/644859950.db2.gz QZPFXKGWXDTOKO-ABAIWWIYSA-N 0 0 379.258 1.845 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000172030733 644881181 /nfs/dbraw/zinc/88/11/81/644881181.db2.gz QJAAAVHHWHVZQV-CYBMUJFWSA-N 0 0 390.937 1.262 10 0 GDAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1C ZINC000179724258 644936165 /nfs/dbraw/zinc/93/61/65/644936165.db2.gz WTSSVNCQONSBPB-GFCCVEGCSA-N 0 0 399.289 1.352 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cnc1Br ZINC000190771087 645023129 /nfs/dbraw/zinc/02/31/29/645023129.db2.gz HJVSBQCTOXYUGK-CYBMUJFWSA-N 0 0 392.257 1.979 10 0 GDAERN C[C@@H]1CN(Cn2c3cc(Br)c(F)cc3oc2=O)C[C@@H](C(N)=O)O1 ZINC000192162308 645037869 /nfs/dbraw/zinc/03/78/69/645037869.db2.gz MFZVNLLTEYIMLO-KRTXAFLBSA-N 0 0 388.193 1.028 10 0 GDAERN O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ncccc1Br ZINC000193600387 645053727 /nfs/dbraw/zinc/05/37/27/645053727.db2.gz SKWGEVIZHAODHN-GXTWGEPZSA-N 0 0 396.197 1.577 10 0 GDAERN Cc1c(Br)cccc1CC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263388207 645151509 /nfs/dbraw/zinc/15/15/09/645151509.db2.gz CZZFBANQPOVCHQ-CQSZACIVSA-N 0 0 399.285 1.544 10 0 GDAERN Cc1c(Br)cccc1CC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263388200 645151542 /nfs/dbraw/zinc/15/15/42/645151542.db2.gz CZZFBANQPOVCHQ-AWEZNQCLSA-N 0 0 399.285 1.544 10 0 GDAERN CCc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)n1 ZINC000328609330 645271902 /nfs/dbraw/zinc/27/19/02/645271902.db2.gz CWKLUNOBFHXOSB-OAHLLOKOSA-N 0 0 389.836 1.848 10 0 GDAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)n1 ZINC000328611112 645272169 /nfs/dbraw/zinc/27/21/69/645272169.db2.gz KMDQBWGUESMARO-AWEZNQCLSA-N 0 0 375.809 1.594 10 0 GDAERN CCc1csc([C@H]2CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)n1 ZINC000329535805 645316122 /nfs/dbraw/zinc/31/61/22/645316122.db2.gz ZSHMGZFBDZWFBE-LBPRGKRZSA-N 0 0 392.568 1.792 10 0 GDAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1C[C@@H](F)C[C@@H]1CO ZINC000372425003 645814867 /nfs/dbraw/zinc/81/48/67/645814867.db2.gz GRZYQQQGZLTEHZ-WDEREUQCSA-N 0 0 380.235 1.477 10 0 GDAERN O=S(=O)(C=Cc1ccc(Br)cc1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000790475288 655050579 /nfs/dbraw/zinc/05/05/79/655050579.db2.gz KTSSDASOZAFBEP-UJZCVKTISA-N 0 0 399.270 1.941 10 0 GDAERN CCOC(=O)c1ncc(Br)c(N2CCO[C@@H]3CCN(C)C[C@H]32)n1 ZINC000893767683 658445028 /nfs/dbraw/zinc/44/50/28/658445028.db2.gz GSUHDRXFNFDSCV-VXGBXAGGSA-N 0 0 385.262 1.325 10 0 GDAERN Cc1[nH]nc(I)c1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000896172062 658755279 /nfs/dbraw/zinc/75/52/79/658755279.db2.gz AANAEJDMPJVCSA-SECBINFHSA-N 0 0 386.197 1.392 10 0 GDAERN C[C@H](CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)[N@H+](C)Cc1ccccc1 ZINC000715851206 977794230 /nfs/dbraw/zinc/79/42/30/977794230.db2.gz NLUCHWQEMZJDDT-OXFYSEKESA-N 0 0 375.469 1.640 10 0 GDAERN O=C([O-])CCCS(=O)(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717920455 977925751 /nfs/dbraw/zinc/92/57/51/977925751.db2.gz QOQWNWLCADFCRJ-UHFFFAOYSA-N 0 0 384.498 1.188 10 0 GDAERN C[C@]12CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000723252490 978182233 /nfs/dbraw/zinc/18/22/33/978182233.db2.gz XOULJDNREPXXNQ-VXNCWWDNSA-N 0 0 378.494 1.633 10 0 GDAERN COCc1cnc(C2=NC(=O)[C@](C)(C(C)C)N2)c(C2=NC(=O)[C@@](C)(C(C)C)N2)c1 ZINC000504419170 231318115 /nfs/dbraw/zinc/31/81/15/231318115.db2.gz PNRINNCVUOQMTD-RTWAWAEBSA-N 0 0 399.495 1.810 10 0 GDAERN CNC(=O)CN1CCC(NS(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000162139870 530566559 /nfs/dbraw/zinc/56/65/59/530566559.db2.gz GLTANPNQMRSNIN-UHFFFAOYSA-N 0 0 394.324 1.791 10 0 GDAERN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCN2CCCC[C@@H]2C1 ZINC000162152592 530566700 /nfs/dbraw/zinc/56/67/00/530566700.db2.gz HMNPKBSVCPHXBL-CYBMUJFWSA-N 0 0 394.273 1.992 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000162446682 530568144 /nfs/dbraw/zinc/56/81/44/530568144.db2.gz MBIXYKIHLQEVNW-SNVBAGLBSA-N 0 0 375.853 1.437 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000162499824 530568748 /nfs/dbraw/zinc/56/87/48/530568748.db2.gz RKCIRYBELBKCHJ-LLVKDONJSA-N 0 0 379.218 1.238 10 0 GDAERN Cn1ccnc1CC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000162490145 530568979 /nfs/dbraw/zinc/56/89/79/530568979.db2.gz IOSSZYGWYYATJQ-UHFFFAOYSA-N 0 0 393.285 1.826 10 0 GDAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000025376260 530581227 /nfs/dbraw/zinc/58/12/27/530581227.db2.gz KCYGLIJEGHQTTQ-ZJUUUORDSA-N 0 0 386.417 1.733 10 0 GDAERN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCS[C@@H](C)C1 ZINC000171699747 530602062 /nfs/dbraw/zinc/60/20/62/530602062.db2.gz CZBKDEPCAOWDLP-UWVGGRQHSA-N 0 0 375.416 1.984 10 0 GDAERN C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@H]1CCCO1 ZINC000032247307 530604862 /nfs/dbraw/zinc/60/48/62/530604862.db2.gz XHSMKXYZDPRETC-ZWNOBZJWSA-N 0 0 383.242 1.858 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)COc3cccc(Br)c3)CCO2)[nH]1 ZINC000173088301 530623273 /nfs/dbraw/zinc/62/32/73/530623273.db2.gz HYHBGACFWIILJS-CYBMUJFWSA-N 0 0 381.230 1.855 10 0 GDAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172742954 530617215 /nfs/dbraw/zinc/61/72/15/530617215.db2.gz OFQKJJPMVHTQIH-CYBMUJFWSA-N 0 0 386.901 1.680 10 0 GDAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176475358 530683990 /nfs/dbraw/zinc/68/39/90/530683990.db2.gz JGIXJMOTUSWGDA-VIFPVBQESA-N 0 0 388.225 1.627 10 0 GDAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Br)cn3C)C2=O)n(C)n1 ZINC000174982808 530657381 /nfs/dbraw/zinc/65/73/81/530657381.db2.gz FWTYMOFRKBKAAK-GFCCVEGCSA-N 0 0 394.273 1.755 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000175250668 530662049 /nfs/dbraw/zinc/66/20/49/530662049.db2.gz MNFVSXNRSTVXEV-NSHDSACASA-N 0 0 379.276 1.067 10 0 GDAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175903743 530672636 /nfs/dbraw/zinc/67/26/36/530672636.db2.gz OAZMAEYZQIEFBE-BXUZGUMPSA-N 0 0 378.372 1.614 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1Br ZINC000176105100 530676930 /nfs/dbraw/zinc/67/69/30/530676930.db2.gz MBXCZJGZOHJMFB-LBPRGKRZSA-N 0 0 378.230 1.939 10 0 GDAERN O=C(CSC[C@@H](O)CO)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000177420291 530703156 /nfs/dbraw/zinc/70/31/56/530703156.db2.gz NRWIKMZDCRJAKZ-LBPRGKRZSA-N 0 0 376.881 1.210 10 0 GDAERN CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3ncnc32)ccc1Br ZINC000177616517 530706757 /nfs/dbraw/zinc/70/67/57/530706757.db2.gz TWNUGRJIHWUCHA-LLVKDONJSA-N 0 0 399.270 1.709 10 0 GDAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2ncc(Br)cn2n1 ZINC000177681521 530708450 /nfs/dbraw/zinc/70/84/50/530708450.db2.gz IITFGWAIJHOFAI-VIFPVBQESA-N 0 0 377.206 1.052 10 0 GDAERN Cc1sc2ncnc(SCC(=O)NC[C@H]3CN4CCN3CC4)c2c1C ZINC000178613755 530724271 /nfs/dbraw/zinc/72/42/71/530724271.db2.gz RKWLGZOARVZFIQ-ZDUSSCGKSA-N 0 0 377.539 1.516 10 0 GDAERN Cc1nc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)s1 ZINC000178696347 530726391 /nfs/dbraw/zinc/72/63/91/530726391.db2.gz LANXJKSFZSSSAL-MRXNPFEDSA-N 0 0 381.523 1.800 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c(Br)n1 ZINC000179840977 530751126 /nfs/dbraw/zinc/75/11/26/530751126.db2.gz IOAJYEOKLNZNOW-GFCCVEGCSA-N 0 0 381.274 1.788 10 0 GDAERN C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180071806 530757048 /nfs/dbraw/zinc/75/70/48/530757048.db2.gz WMMIEWOEEWYGPB-LLVKDONJSA-N 0 0 382.511 1.416 10 0 GDAERN COC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000066143977 530759023 /nfs/dbraw/zinc/75/90/23/530759023.db2.gz AFZVVCRQPPQXCQ-SECBINFHSA-N 0 0 389.271 1.652 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000180226639 530760508 /nfs/dbraw/zinc/76/05/08/530760508.db2.gz MWNXLKFEEGDAHD-LBPRGKRZSA-N 0 0 384.223 1.959 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000180225196 530760875 /nfs/dbraw/zinc/76/08/75/530760875.db2.gz XCCQPXCDQLIHDR-LBPRGKRZSA-N 0 0 394.229 1.414 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000180226377 530760913 /nfs/dbraw/zinc/76/09/13/530760913.db2.gz CVWSBTOKDZXDHS-GFCCVEGCSA-N 0 0 384.223 1.959 10 0 GDAERN CCc1nnc(CS(=O)(=O)c2nnc(-c3ccc(Cl)cc3)n2C)n1C ZINC000179619544 530745694 /nfs/dbraw/zinc/74/56/94/530745694.db2.gz YZTUPKSEYUNHDH-UHFFFAOYSA-N 0 0 380.861 1.800 10 0 GDAERN Cn1cc([C@H]2CNCCN2C(=O)c2cc(I)c[nH]2)cn1 ZINC000181373124 530782187 /nfs/dbraw/zinc/78/21/87/530782187.db2.gz NNRZNOQDFYVDFE-GFCCVEGCSA-N 0 0 385.209 1.140 10 0 GDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[C@H](C)C2 ZINC000180600929 530768929 /nfs/dbraw/zinc/76/89/29/530768929.db2.gz MUPZAVGPJMWOJK-SJKOYZFVSA-N 0 0 380.491 1.854 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000182269014 530797260 /nfs/dbraw/zinc/79/72/60/530797260.db2.gz REWZPBCGIDGFRC-ZDUSSCGKSA-N 0 0 383.499 1.816 10 0 GDAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)n1C ZINC000182395141 530798585 /nfs/dbraw/zinc/79/85/85/530798585.db2.gz DEPVLZIFFWARHG-UHFFFAOYSA-N 0 0 384.889 1.823 10 0 GDAERN CC(C)c1nnc(CS(=O)(=O)C[C@@H](O)COc2ccc(Cl)cc2)n1C ZINC000182392904 530798614 /nfs/dbraw/zinc/79/86/14/530798614.db2.gz VEKYAZXYPMTTBN-ZDUSSCGKSA-N 0 0 387.889 1.947 10 0 GDAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCO[C@H](c2nccs2)C1 ZINC000184561882 530829704 /nfs/dbraw/zinc/82/97/04/530829704.db2.gz FJGMZKIGSXRYOM-JTQLQIEISA-N 0 0 382.389 1.664 10 0 GDAERN COC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2I)CCO1 ZINC000103107064 530831947 /nfs/dbraw/zinc/83/19/47/530831947.db2.gz UYQPUUPYXOTFFB-LBPRGKRZSA-N 0 0 389.189 1.614 10 0 GDAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000185141226 530837089 /nfs/dbraw/zinc/83/70/89/530837089.db2.gz KKIQOSNCTADHBS-ZJUUUORDSA-N 0 0 397.191 1.834 10 0 GDAERN Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000103253853 530834268 /nfs/dbraw/zinc/83/42/68/530834268.db2.gz KUMRSMISZYCOPL-UHFFFAOYSA-N 0 0 383.861 1.806 10 0 GDAERN Cc1[nH]cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(=O)c1Br ZINC000183219821 530811884 /nfs/dbraw/zinc/81/18/84/530811884.db2.gz VOZNZZFSOMFHLL-MFKMUULPSA-N 0 0 384.274 1.651 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccccc2Br)n1 ZINC000183748039 530819855 /nfs/dbraw/zinc/81/98/55/530819855.db2.gz MRJHOHWRMWXTJK-LLVKDONJSA-N 0 0 388.243 1.903 10 0 GDAERN Brc1ccccc1-n1nnnc1CN1CCC[C@@H](n2cncn2)C1 ZINC000106217840 530846571 /nfs/dbraw/zinc/84/65/71/530846571.db2.gz DCEVGMILEKFNOG-GFCCVEGCSA-N 0 0 389.261 1.853 10 0 GDAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccc(Br)cc1 ZINC000106193762 530846810 /nfs/dbraw/zinc/84/68/10/530846810.db2.gz YVSWDDDLPDCCOX-HNNXBMFYSA-N 0 0 379.258 1.985 10 0 GDAERN Cc1cnn(C[C@@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3)CCO2)c1 ZINC000106194461 530847033 /nfs/dbraw/zinc/84/70/33/530847033.db2.gz VKIBGTPFMPHCEY-HOTGVXAUSA-N 0 0 393.285 1.881 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000186349118 530855623 /nfs/dbraw/zinc/85/56/23/530855623.db2.gz AVOOHBPEUXZRIE-JTQLQIEISA-N 0 0 378.332 1.554 10 0 GDAERN Cc1cnn(C[C@@H]2CN(c3ncnc4c3c(Br)nn4C)CCO2)c1 ZINC000108950029 530859918 /nfs/dbraw/zinc/85/99/18/530859918.db2.gz DBPLPERLUNTFRD-NSHDSACASA-N 0 0 392.261 1.536 10 0 GDAERN COc1ccc(Br)cc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186685037 530860171 /nfs/dbraw/zinc/86/01/71/530860171.db2.gz QVMNIPYBHQJQFY-UHFFFAOYSA-N 0 0 382.258 1.878 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCC[S@](C)=O)cc1 ZINC000109917674 530865147 /nfs/dbraw/zinc/86/51/47/530865147.db2.gz ZRCXRLCBIUJFBA-VOIUYBSRSA-N 0 0 388.555 1.573 10 0 GDAERN O=C(CCn1cnc2sccc2c1=O)N1CCO[C@H](c2nccs2)C1 ZINC000110877575 530870450 /nfs/dbraw/zinc/87/04/50/530870450.db2.gz DFRUXODHJIKNJT-LBPRGKRZSA-N 0 0 376.463 1.905 10 0 GDAERN O=C(COc1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111076920 530871850 /nfs/dbraw/zinc/87/18/50/530871850.db2.gz UCPWCAQNLVDUGI-OAHLLOKOSA-N 0 0 380.242 1.952 10 0 GDAERN O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1CNC(=O)C1 ZINC000111108638 530872121 /nfs/dbraw/zinc/87/21/21/530872121.db2.gz IAYIUYLVQKPIRK-NSHDSACASA-N 0 0 387.299 1.813 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000104357379 530838202 /nfs/dbraw/zinc/83/82/02/530838202.db2.gz RVJXQCFZKFBDBW-GJZGRUSLSA-N 0 0 396.285 1.753 10 0 GDAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104798031 530840855 /nfs/dbraw/zinc/84/08/55/530840855.db2.gz SZWHIVQMZJEPAX-CYBMUJFWSA-N 0 0 399.289 1.326 10 0 GDAERN COC(=O)CCCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000105570090 530843181 /nfs/dbraw/zinc/84/31/81/530843181.db2.gz XHXPEXJCCVSFRH-UHFFFAOYSA-N 0 0 396.245 1.987 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000189216358 530910001 /nfs/dbraw/zinc/91/00/01/530910001.db2.gz ZKNXIKBVOIHPRX-MPKXVKKWSA-N 0 0 385.258 1.314 10 0 GDAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000187854298 530879680 /nfs/dbraw/zinc/87/96/80/530879680.db2.gz HBBXHMSKBRMOPD-VIFPVBQESA-N 0 0 396.220 1.558 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000188098092 530884830 /nfs/dbraw/zinc/88/48/30/530884830.db2.gz JEDAXUJHSKFTBO-PGLGOXFNSA-N 0 0 395.253 1.971 10 0 GDAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000188110519 530885981 /nfs/dbraw/zinc/88/59/81/530885981.db2.gz DUOFXAOXHIUWOS-HNNXBMFYSA-N 0 0 396.285 1.629 10 0 GDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(Br)c(F)cc1F ZINC000113298239 530888550 /nfs/dbraw/zinc/88/85/50/530888550.db2.gz YLTAGKZMXZLDNF-ZETCQYMHSA-N 0 0 393.213 1.612 10 0 GDAERN O=C(NC1CN(C(=O)c2ccncc2I)C1)C1CCC1 ZINC000188539181 530896072 /nfs/dbraw/zinc/89/60/72/530896072.db2.gz UBBAVCBGEKFBRH-UHFFFAOYSA-N 0 0 385.205 1.427 10 0 GDAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000188541251 530896184 /nfs/dbraw/zinc/89/61/84/530896184.db2.gz TXXXLKOBXLFHRK-UHFFFAOYSA-N 0 0 384.263 1.850 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Br)s1)CC2 ZINC000114874990 530897296 /nfs/dbraw/zinc/89/72/96/530897296.db2.gz WCOJLPQNNVUSFZ-QMMMGPOBSA-N 0 0 391.316 1.958 10 0 GDAERN COCCN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000117292928 530911944 /nfs/dbraw/zinc/91/19/44/530911944.db2.gz IIWYVLSYDYRYBQ-LBPRGKRZSA-N 0 0 376.425 1.476 10 0 GDAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CCN1CCOC ZINC000117526236 530913390 /nfs/dbraw/zinc/91/33/90/530913390.db2.gz GQTYBVRIPWJCDC-ZDUSSCGKSA-N 0 0 398.301 1.957 10 0 GDAERN O=C(NC1CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1)C1CC1 ZINC000189500014 530913979 /nfs/dbraw/zinc/91/39/79/530913979.db2.gz JBBYJRKJFVFVPI-UHFFFAOYSA-N 0 0 376.356 1.331 10 0 GDAERN CN(CC(=O)N1CCCN(C)C(=O)C1)C(=O)c1ccc(Br)s1 ZINC000189768025 530920249 /nfs/dbraw/zinc/92/02/49/530920249.db2.gz NCWPUJDVUSXEMV-UHFFFAOYSA-N 0 0 388.287 1.273 10 0 GDAERN C[C@@H]1CCS(=O)(=O)CCN1C[C@H](O)COc1cccc(Br)c1 ZINC000192087475 530961256 /nfs/dbraw/zinc/96/12/56/530961256.db2.gz ANJMOVPPOATPQI-OCCSQVGLSA-N 0 0 392.315 1.698 10 0 GDAERN O=C(c1ccc(Br)cn1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120111763 530935618 /nfs/dbraw/zinc/93/56/18/530935618.db2.gz MVIKFERTGSCQFW-LBPRGKRZSA-N 0 0 388.287 1.484 10 0 GDAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120112343 530935657 /nfs/dbraw/zinc/93/56/57/530935657.db2.gz HBDRBELIJYSDII-JTQLQIEISA-N 0 0 380.297 1.972 10 0 GDAERN CC(=O)c1cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)ccc1Br ZINC000190987388 530941069 /nfs/dbraw/zinc/94/10/69/530941069.db2.gz TZWXQQRAZMPMQJ-SECBINFHSA-N 0 0 389.271 1.551 10 0 GDAERN CC(=O)NC1CN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000191497757 530949728 /nfs/dbraw/zinc/94/97/28/530949728.db2.gz QBQFIBVSAHHWQK-UHFFFAOYSA-N 0 0 379.210 1.824 10 0 GDAERN O=C(Nc1ccccc1-n1cc(Br)cn1)C(=O)N1CCC[C@@H]1CO ZINC000121151086 530951404 /nfs/dbraw/zinc/95/14/04/530951404.db2.gz XSADDFNPVJAYFF-GFCCVEGCSA-N 0 0 393.241 1.557 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000191757910 530954104 /nfs/dbraw/zinc/95/41/04/530954104.db2.gz JOVCECRNPSWVSY-NEPJUHHUSA-N 0 0 394.269 1.539 10 0 GDAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cncc(I)c1 ZINC000121483017 530957198 /nfs/dbraw/zinc/95/71/98/530957198.db2.gz KKVRUNFRTAMNQN-CYBMUJFWSA-N 0 0 387.221 1.279 10 0 GDAERN COC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000192683528 530972675 /nfs/dbraw/zinc/97/26/75/530972675.db2.gz ILZHGFVAHGKCNB-ZDUSSCGKSA-N 0 0 383.242 1.733 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123132477 530979995 /nfs/dbraw/zinc/97/99/95/530979995.db2.gz DHODZCBGGPQCSC-ZBEGNZNMSA-N 0 0 382.258 1.936 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000193272923 530982641 /nfs/dbraw/zinc/98/26/41/530982641.db2.gz IFSTZNVXTNEWPV-JTQLQIEISA-N 0 0 378.230 1.532 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1Br ZINC000193273001 530982753 /nfs/dbraw/zinc/98/27/53/530982753.db2.gz BFYZFCCFMIHJAP-NSHDSACASA-N 0 0 392.257 1.841 10 0 GDAERN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000193334705 530984042 /nfs/dbraw/zinc/98/40/42/530984042.db2.gz CVTSTZWYAJPESE-LLVKDONJSA-N 0 0 390.303 1.797 10 0 GDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000193322571 530984343 /nfs/dbraw/zinc/98/43/43/530984343.db2.gz YQIMQEKDLGFONY-NSHDSACASA-N 0 0 387.205 1.999 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)sc1Br ZINC000122378697 530970665 /nfs/dbraw/zinc/97/06/65/530970665.db2.gz HGLAMJMQEZDJHL-GHMZBOCLSA-N 0 0 397.360 1.895 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)CCO2)[nH]1 ZINC000193779278 530993028 /nfs/dbraw/zinc/99/30/28/530993028.db2.gz VGEFCEIYMUPTLT-SECBINFHSA-N 0 0 380.323 1.432 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1Br ZINC000193471464 530987362 /nfs/dbraw/zinc/98/73/62/530987362.db2.gz GYLKPEBNEWICEH-WDEREUQCSA-N 0 0 399.289 1.005 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)Cc2cccc(I)c2)C1 ZINC000123885955 530988465 /nfs/dbraw/zinc/98/84/65/530988465.db2.gz KAIUXVZBXCMRQM-AWEZNQCLSA-N 0 0 386.233 1.961 10 0 GDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@H]3C2)ccc1Cl ZINC000195044154 531014084 /nfs/dbraw/zinc/01/40/84/531014084.db2.gz RIQYRQCGSJFBDW-AWEZNQCLSA-N 0 0 385.917 1.901 10 0 GDAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000195075450 531015024 /nfs/dbraw/zinc/01/50/24/531015024.db2.gz YKNUANABTUZUEZ-CYBMUJFWSA-N 0 0 385.917 1.901 10 0 GDAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000126685059 531021469 /nfs/dbraw/zinc/02/14/69/531021469.db2.gz KZCCGRVCAJPGBW-DYEKYZERSA-N 0 0 381.416 1.953 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127652823 531032375 /nfs/dbraw/zinc/03/23/75/531032375.db2.gz JFWJRZVRFWIYEC-ZBEGNZNMSA-N 0 0 385.258 1.926 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000194120444 530999928 /nfs/dbraw/zinc/99/99/28/530999928.db2.gz XYUZONZCHDNYMR-GFCCVEGCSA-N 0 0 399.289 1.006 10 0 GDAERN Cn1c2ccc(S(=O)(=O)N3CCS[C@@H]4CCCC[C@H]43)cc2n(C)c1=O ZINC000246083329 531063279 /nfs/dbraw/zinc/06/32/79/531063279.db2.gz FSKGQHOIYSRCRD-GDBMZVCRSA-N 0 0 381.523 1.926 10 0 GDAERN CCc1nc(CN2CCN(S(=O)(=O)N3C[C@H](C)OC[C@H]3C)CC2)cs1 ZINC000246048016 531063294 /nfs/dbraw/zinc/06/32/94/531063294.db2.gz CBDUXIIFBPCIQU-KGLIPLIRSA-N 0 0 388.559 1.177 10 0 GDAERN C[C@H](O)CN1CCN(S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)C[C@@H]1C ZINC000246213698 531064932 /nfs/dbraw/zinc/06/49/32/531064932.db2.gz SHLOOTJDGRMDBO-AVGNSLFASA-N 0 0 388.917 1.739 10 0 GDAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC[C@@]1(O)CCOC1 ZINC000246216549 531065028 /nfs/dbraw/zinc/06/50/28/531065028.db2.gz FFDWGVPYNNXSMI-DYVFJYSZSA-N 0 0 398.301 1.726 10 0 GDAERN C[C@@H]1C[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)CN1Cc1ccccc1 ZINC000246691089 531068599 /nfs/dbraw/zinc/06/85/99/531068599.db2.gz YPJUJHGPBAZFPN-OIISXLGYSA-N 0 0 382.551 1.686 10 0 GDAERN CCN(C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000248230572 531077200 /nfs/dbraw/zinc/07/72/00/531077200.db2.gz BKWSFZQYQNKBSF-KBPBESRZSA-N 0 0 384.523 1.636 10 0 GDAERN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000248763525 531081767 /nfs/dbraw/zinc/08/17/67/531081767.db2.gz GUNIOCDTHQMTDR-DJIMGWMZSA-N 0 0 382.551 1.543 10 0 GDAERN C[C@@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@@H]1N1CCOCC1 ZINC000248771679 531082015 /nfs/dbraw/zinc/08/20/15/531082015.db2.gz STEZHHLDZGUAJW-ISTRZQFTSA-N 0 0 395.297 1.932 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249153250 531084784 /nfs/dbraw/zinc/08/47/84/531084784.db2.gz YWOCHAOJLBRLCC-MNOVXSKESA-N 0 0 386.290 1.688 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000134531436 531100759 /nfs/dbraw/zinc/10/07/59/531100759.db2.gz IKDLOHOPPFERAI-LURJTMIESA-N 0 0 377.352 1.951 10 0 GDAERN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CNC(=O)C1 ZINC000134759403 531103986 /nfs/dbraw/zinc/10/39/86/531103986.db2.gz KAKFRVSVYYZRJF-PSASIEDQSA-N 0 0 376.766 1.585 10 0 GDAERN O=C(CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)NCc1ccc(Cl)cc1 ZINC000135711331 531111554 /nfs/dbraw/zinc/11/15/54/531111554.db2.gz HVMZSJCIAWKGOF-MRXNPFEDSA-N 0 0 385.917 1.456 10 0 GDAERN Cc1cnn(CCNC(=O)NC[C@H](O)COc2ccccc2Br)c1 ZINC000141228399 531122175 /nfs/dbraw/zinc/12/21/75/531122175.db2.gz BYOMDYQAUQWOTO-ZDUSSCGKSA-N 0 0 397.273 1.693 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000151013835 531132147 /nfs/dbraw/zinc/13/21/47/531132147.db2.gz MVVWDQVXGDKXMK-CYBMUJFWSA-N 0 0 383.499 1.686 10 0 GDAERN CN1CCO[C@@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000151130962 531133145 /nfs/dbraw/zinc/13/31/45/531133145.db2.gz YUNBYKUZTKNTEK-JTQLQIEISA-N 0 0 378.185 1.491 10 0 GDAERN Cc1cc(Br)cc2cc(C(=O)NC[C@@H](O)CN3CCOCC3)oc21 ZINC000153190976 531163706 /nfs/dbraw/zinc/16/37/06/531163706.db2.gz KFPYSDGEBPSKOZ-CQSZACIVSA-N 0 0 397.269 1.927 10 0 GDAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1sccc1Br ZINC000153175877 531163903 /nfs/dbraw/zinc/16/39/03/531163903.db2.gz WACNCDPVXOMRRK-SNVBAGLBSA-N 0 0 381.317 1.652 10 0 GDAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154150926 531178441 /nfs/dbraw/zinc/17/84/41/531178441.db2.gz UARFEWPMMWKDLL-WCQYABFASA-N 0 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O=C(NCCc1ccccc1)N1CCCN([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097078047 570664392 /nfs/dbraw/zinc/66/43/92/570664392.db2.gz IPHCCUOWRAAHAX-HXUWFJFHSA-N 0 0 384.524 1.957 10 0 GDAERN COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2ccccc2)cn1 ZINC000097151904 570665193 /nfs/dbraw/zinc/66/51/93/570665193.db2.gz WEYMDEZSZHRQIM-ZOBUZTSGSA-N 0 0 387.461 1.672 10 0 GDAERN Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000006920299 570704532 /nfs/dbraw/zinc/70/45/32/570704532.db2.gz XLALSMKGQOLYPC-LLVKDONJSA-N 0 0 387.417 1.501 10 0 GDAERN O=C1NCCc2ccc(S(=O)(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)cc21 ZINC000188880517 570732052 /nfs/dbraw/zinc/73/20/52/570732052.db2.gz SQVFZJVLZZPORA-YOEHRIQHSA-N 0 0 392.502 1.431 10 0 GDAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188875865 570732143 /nfs/dbraw/zinc/73/21/43/570732143.db2.gz TYAHHBICUQCPTQ-PBHICJAKSA-N 0 0 397.522 1.693 10 0 GDAERN CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc3c(c1)OCCO3)C2 ZINC000091849003 571033288 /nfs/dbraw/zinc/03/32/88/571033288.db2.gz JNPRNNWARTYIHH-HZPDHXFCSA-N 0 0 381.498 1.160 10 0 GDAERN CCCC(=O)NCC(=O)N(C)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000105550841 644610314 /nfs/dbraw/zinc/61/03/14/644610314.db2.gz OSGDMMZVTVEEDD-UHFFFAOYSA-N 0 0 391.287 1.821 10 0 GDAERN Cc1csc([C@H]2CN(Cn3nnn(C4CCOCC4)c3=S)CCO2)n1 ZINC000106062753 644612255 /nfs/dbraw/zinc/61/22/55/644612255.db2.gz QVLAJMXRKNZZQN-CYBMUJFWSA-N 0 0 382.515 1.957 10 0 GDAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cccc(I)c1 ZINC000124916068 644710505 /nfs/dbraw/zinc/71/05/05/644710505.db2.gz VKVWLHBKNNHACQ-NSHDSACASA-N 0 0 394.234 1.006 10 0 GDAERN CN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126565939 644720581 /nfs/dbraw/zinc/72/05/81/644720581.db2.gz XCOULQDGNTXVKX-CYBMUJFWSA-N 0 0 375.288 1.184 10 0 GDAERN C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccccc1Br ZINC000126521747 644720642 /nfs/dbraw/zinc/72/06/42/644720642.db2.gz SLBHFAWXPDPBCU-WDEREUQCSA-N 0 0 375.288 1.403 10 0 GDAERN COC(=O)[C@@H]1CCCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000151626960 644782878 /nfs/dbraw/zinc/78/28/78/644782878.db2.gz XAFZKKLVOLNEAO-SNVBAGLBSA-N 0 0 381.226 1.821 10 0 GDAERN CC(C)N(CCS(C)(=O)=O)C[C@@H](O)COc1cccc(Br)c1 ZINC000178999715 644930226 /nfs/dbraw/zinc/93/02/26/644930226.db2.gz WWFGJOWINOCILD-CQSZACIVSA-N 0 0 394.331 1.944 10 0 GDAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1)C(C)C ZINC000180460882 644946157 /nfs/dbraw/zinc/94/61/57/644946157.db2.gz FFALGJRAMUIVPT-CYBMUJFWSA-N 0 0 391.287 1.701 10 0 GDAERN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000329576280 645317005 /nfs/dbraw/zinc/31/70/05/645317005.db2.gz KAQILPMHSAPONG-SDDRHHMPSA-N 0 0 377.450 1.852 10 0 GDAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1C[C@H](F)C[C@@H]1CO ZINC000372424997 645814879 /nfs/dbraw/zinc/81/48/79/645814879.db2.gz GRZYQQQGZLTEHZ-GHMZBOCLSA-N 0 0 380.235 1.477 10 0 GDAERN O=S(=O)(c1cc2c(cc1Br)OCCO2)N1C[C@H](F)C[C@@H]1CO ZINC000372431515 645816250 /nfs/dbraw/zinc/81/62/50/645816250.db2.gz NFSZKRRUNXARAH-RKDXNWHRSA-N 0 0 396.234 1.314 10 0 GDAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000443138250 647184376 /nfs/dbraw/zinc/18/43/76/647184376.db2.gz WPKUCQJHYCFSPH-CVEARBPZSA-N 0 0 388.511 1.053 10 0 GDAERN OC[C@H]1CN(c2ncc(C(F)(F)F)cc2I)CCO1 ZINC000601126582 652563346 /nfs/dbraw/zinc/56/33/46/652563346.db2.gz UYZGGKQQOUEECN-MRVPVSSYSA-N 0 0 388.127 1.903 10 0 GDAERN CC(C)(C)n1ncc(C(=O)N[C@H]2CCOC[C@@H]2O)c1I ZINC000899145780 658987710 /nfs/dbraw/zinc/98/77/10/658987710.db2.gz PPIAVKVLWRPNEU-UWVGGRQHSA-N 0 0 393.225 1.122 10 0 GDAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1cc2c(c(Br)c1)OCO2 ZINC000909166094 659941249 /nfs/dbraw/zinc/94/12/49/659941249.db2.gz OILZSCIMHJFBTJ-MDZLAQPJSA-N 0 0 380.198 1.479 10 0 GDAERN C[C@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000705943443 954943414 /nfs/dbraw/zinc/94/34/14/954943414.db2.gz CHDHFDQELINKCR-KDURUIRLSA-N 0 0 380.510 1.330 10 0 GDAERN O=C([O-])C1(O)CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000706536919 977351521 /nfs/dbraw/zinc/35/15/21/977351521.db2.gz BTHVQRXSQZDEHK-UHFFFAOYSA-N 0 0 397.475 1.920 10 0 GDAERN CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1c(C)cc(C)n(CCOC)c1=O ZINC000504447305 529929078 /nfs/dbraw/zinc/92/90/78/529929078.db2.gz CTVOCSFYHYQLGF-GOSISDBHSA-N 0 0 397.475 1.425 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000166885024 530583438 /nfs/dbraw/zinc/58/34/38/530583438.db2.gz OYRLHPAQUHGPPP-SNVBAGLBSA-N 0 0 390.184 1.403 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000166880696 530583682 /nfs/dbraw/zinc/58/36/82/530583682.db2.gz BMUKVXBISYSKIO-GFCCVEGCSA-N 0 0 382.258 1.741 10 0 GDAERN O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000171048476 530593136 /nfs/dbraw/zinc/59/31/36/530593136.db2.gz IATOMSDGQLAUTJ-LBPRGKRZSA-N 0 0 394.269 1.762 10 0 GDAERN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000171073466 530593469 /nfs/dbraw/zinc/59/34/69/530593469.db2.gz KDEATGNTHSHTLO-RNCFNFMXSA-N 0 0 391.287 1.512 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)/N=c2/sccn2C)CC1 ZINC000029763083 530596038 /nfs/dbraw/zinc/59/60/38/530596038.db2.gz LSLYIVXSRYKFTR-FOCLMDBBSA-N 0 0 384.483 1.220 10 0 GDAERN Cc1nc(C[C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)no1 ZINC000171336299 530597684 /nfs/dbraw/zinc/59/76/84/530597684.db2.gz OFQOAFIVBQOXIR-GFCCVEGCSA-N 0 0 384.483 1.199 10 0 GDAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000030674996 530600447 /nfs/dbraw/zinc/60/04/47/530600447.db2.gz ZSUJCBHLQHFEMV-VIFPVBQESA-N 0 0 384.483 1.932 10 0 GDAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000172019729 530607205 /nfs/dbraw/zinc/60/72/05/530607205.db2.gz JTILPIYGYOZLGY-GFCCVEGCSA-N 0 0 379.262 1.979 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3ccccc3I)CCO2)[nH]1 ZINC000173091904 530622943 /nfs/dbraw/zinc/62/29/43/530622943.db2.gz ZMAWWXNMCYQJRQ-GFCCVEGCSA-N 0 0 398.204 1.931 10 0 GDAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173692317 530634837 /nfs/dbraw/zinc/63/48/37/530634837.db2.gz RYJDNDOUNCBBAF-LLVKDONJSA-N 0 0 396.220 1.982 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCO2)[nH]1 ZINC000173736098 530635420 /nfs/dbraw/zinc/63/54/20/530635420.db2.gz FKJMYQGOAYFEKF-GFCCVEGCSA-N 0 0 376.360 1.894 10 0 GDAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCO2)[nH]1 ZINC000173735475 530635645 /nfs/dbraw/zinc/63/56/45/530635645.db2.gz BOHMRMMIUURBQN-LBPRGKRZSA-N 0 0 376.360 1.894 10 0 GDAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)[nH]1 ZINC000173839267 530638347 /nfs/dbraw/zinc/63/83/47/530638347.db2.gz SQXXMGFZOIAYHL-MRVPVSSYSA-N 0 0 392.268 1.831 10 0 GDAERN CC(C)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000038425761 530617683 /nfs/dbraw/zinc/61/76/83/530617683.db2.gz QNVWEZXMKQMWCV-UHFFFAOYSA-N 0 0 379.935 1.575 10 0 GDAERN C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(Cl)s1 ZINC000046536250 530651674 /nfs/dbraw/zinc/65/16/74/530651674.db2.gz GJHVHYHCYGPODT-JTQLQIEISA-N 0 0 384.889 1.595 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000174732552 530653273 /nfs/dbraw/zinc/65/32/73/530653273.db2.gz NSCVDQXPNYEQEI-LLVKDONJSA-N 0 0 386.221 1.654 10 0 GDAERN COC(=O)C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1cccc(Br)c1 ZINC000174743904 530654057 /nfs/dbraw/zinc/65/40/57/530654057.db2.gz QBHNZKFORUPTKP-KBPBESRZSA-N 0 0 385.258 1.500 10 0 GDAERN CNC(=O)[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000178415257 530720314 /nfs/dbraw/zinc/72/03/14/530720314.db2.gz QJRHPUCTMHCPKU-CYBMUJFWSA-N 0 0 385.262 1.457 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1N1CCOCC1 ZINC000176992184 530695210 /nfs/dbraw/zinc/69/52/10/530695210.db2.gz VGJCGMJFIYYRHK-STQMWFEESA-N 0 0 384.889 1.329 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000176992693 530695277 /nfs/dbraw/zinc/69/52/77/530695277.db2.gz GNBDPZQWOLGNKA-WFASDCNBSA-N 0 0 389.315 1.790 10 0 GDAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1F ZINC000177520479 530704549 /nfs/dbraw/zinc/70/45/49/530704549.db2.gz OIGSYJRNLRIQNV-GFCCVEGCSA-N 0 0 376.475 1.088 10 0 GDAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c(Br)c1 ZINC000177629248 530707166 /nfs/dbraw/zinc/70/71/66/530707166.db2.gz MBFKASOBYOCWMU-JTQLQIEISA-N 0 0 378.230 1.419 10 0 GDAERN C[C@@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1N1CCOCC1 ZINC000177969154 530713947 /nfs/dbraw/zinc/71/39/47/530713947.db2.gz KZZXYEASHADYSR-BXUZGUMPSA-N 0 0 399.289 1.332 10 0 GDAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178340483 530719327 /nfs/dbraw/zinc/71/93/27/530719327.db2.gz JVBKCVLTKQCADI-JSGCOSHPSA-N 0 0 376.210 1.557 10 0 GDAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000179339797 530738399 /nfs/dbraw/zinc/73/83/99/530738399.db2.gz ZQLCLVOMBMRMAE-ZDUSSCGKSA-N 0 0 383.861 1.734 10 0 GDAERN CNC(=O)[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)C(C)C ZINC000178692638 530726051 /nfs/dbraw/zinc/72/60/51/530726051.db2.gz DABZRBZIKZHDBQ-GFCCVEGCSA-N 0 0 390.303 1.469 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Br)c(F)c1 ZINC000179881129 530752562 /nfs/dbraw/zinc/75/25/62/530752562.db2.gz AHUCZMSBCWCNIG-NSHDSACASA-N 0 0 376.226 1.403 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000180108647 530758062 /nfs/dbraw/zinc/75/80/62/530758062.db2.gz ISGPAKNPSHPGPU-UKRRQHHQSA-N 0 0 385.917 1.707 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000180199534 530760148 /nfs/dbraw/zinc/76/01/48/530760148.db2.gz JMTXHDXGFKSCEC-SNVBAGLBSA-N 0 0 394.596 1.271 10 0 GDAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@H](Cn2cncn2)C1 ZINC000180981988 530775924 /nfs/dbraw/zinc/77/59/24/530775924.db2.gz DZRIYIPURYCYOG-GFCCVEGCSA-N 0 0 380.861 1.680 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000067941771 530781658 /nfs/dbraw/zinc/78/16/58/530781658.db2.gz YNWGXECIDPNKLX-NSHDSACASA-N 0 0 392.275 1.280 10 0 GDAERN COc1ccc(Br)cc1CC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181352787 530782037 /nfs/dbraw/zinc/78/20/37/530782037.db2.gz NGLIIOCEVYQRCT-OAHLLOKOSA-N 0 0 393.285 1.907 10 0 GDAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1C ZINC000182012851 530793387 /nfs/dbraw/zinc/79/33/87/530793387.db2.gz QMEBMDHMUXNHKA-LBPRGKRZSA-N 0 0 381.420 1.832 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CSc1nnc(-c2cccs2)n1C ZINC000102634412 530828554 /nfs/dbraw/zinc/82/85/54/530828554.db2.gz ADZDUVGMHJTSKX-LLVKDONJSA-N 0 0 379.511 1.715 10 0 GDAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)CCS(C)(=O)=O ZINC000102756843 530829657 /nfs/dbraw/zinc/82/96/57/530829657.db2.gz GTBYAIKRRBCDBN-CQSZACIVSA-N 0 0 376.425 1.222 10 0 GDAERN Cc1ncc(CN(C)C(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000184667563 530830625 /nfs/dbraw/zinc/83/06/25/530830625.db2.gz KISJAUMQMKMHFB-JTQLQIEISA-N 0 0 378.479 1.537 10 0 GDAERN C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@H](O)C[C@@H]1CO ZINC000184720297 530831151 /nfs/dbraw/zinc/83/11/51/530831151.db2.gz QGSOFQPAZIGIPV-OASPWFOLSA-N 0 0 390.221 1.046 10 0 GDAERN O=C(NCCNC(=O)c1cccc(Br)c1)N[C@@H]1CCCC[C@@H]1O ZINC000103312961 530833963 /nfs/dbraw/zinc/83/39/63/530833963.db2.gz QEBIFDOJHNBJMF-KGLIPLIRSA-N 0 0 384.274 1.782 10 0 GDAERN COC(=O)[C@@H]1CN(C(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000103310861 530833985 /nfs/dbraw/zinc/83/39/85/530833985.db2.gz HLVLGILWYOMSAT-ZDUSSCGKSA-N 0 0 389.221 1.714 10 0 GDAERN COCCCCS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000185033256 530835463 /nfs/dbraw/zinc/83/54/63/530835463.db2.gz JDJJIMRVMCUVKT-GJZGRUSLSA-N 0 0 376.544 1.856 10 0 GDAERN NS(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000103951239 530836235 /nfs/dbraw/zinc/83/62/35/530836235.db2.gz ANRHQWYSSHWTAQ-UHFFFAOYSA-N 0 0 380.388 1.655 10 0 GDAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000183677899 530819400 /nfs/dbraw/zinc/81/94/00/530819400.db2.gz XRGLBXPMFCYZGL-GFCCVEGCSA-N 0 0 386.836 1.383 10 0 GDAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(Br)cn2)n1 ZINC000185087482 530836579 /nfs/dbraw/zinc/83/65/79/530836579.db2.gz NDYPGZLFJOOZKU-NSHDSACASA-N 0 0 382.218 1.548 10 0 GDAERN Cc1noc(CCNC(=O)NCCNC(=O)c2cccc(Br)c2)n1 ZINC000101618341 530825434 /nfs/dbraw/zinc/82/54/34/530825434.db2.gz NGSUSHNSFJHLRB-UHFFFAOYSA-N 0 0 396.245 1.412 10 0 GDAERN COc1cc(Br)ccc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000186165040 530852376 /nfs/dbraw/zinc/85/23/76/530852376.db2.gz PBUUTTAWCFWGLC-GFCCVEGCSA-N 0 0 386.290 1.978 10 0 GDAERN Cc1nc([C@@H]2CCCN2C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cs1 ZINC000187082218 530866578 /nfs/dbraw/zinc/86/65/78/530866578.db2.gz LNWYCSUMIUVWJL-AWEZNQCLSA-N 0 0 378.479 1.613 10 0 GDAERN Cc1cc(N2CCN([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000187232932 530869069 /nfs/dbraw/zinc/86/90/69/530869069.db2.gz JYUWVCRJHBENGA-OAHLLOKOSA-N 0 0 378.274 1.829 10 0 GDAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000187299891 530870442 /nfs/dbraw/zinc/87/04/42/530870442.db2.gz CETCUMNFFXRZGO-SECBINFHSA-N 0 0 381.281 1.768 10 0 GDAERN NC(=O)[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000105399972 530842048 /nfs/dbraw/zinc/84/20/48/530842048.db2.gz WHZWPHOJOVRYAA-AWEZNQCLSA-N 0 0 398.282 1.413 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000188760230 530900986 /nfs/dbraw/zinc/90/09/86/530900986.db2.gz WNVZRXBAHSDTRP-OAGGEKHMSA-N 0 0 397.269 1.331 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000188988444 530905538 /nfs/dbraw/zinc/90/55/38/530905538.db2.gz BSPIBNQLOCZPFR-XJKCOSOUSA-N 0 0 396.285 1.126 10 0 GDAERN CCOCCN1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C ZINC000117275487 530911732 /nfs/dbraw/zinc/91/17/32/530911732.db2.gz JCGANZQGPZTZAE-LLVKDONJSA-N 0 0 391.253 1.802 10 0 GDAERN O=C1CCCN1C[C@H](O)CN(CCO)Cc1cc(Br)ccc1F ZINC000111689861 530877287 /nfs/dbraw/zinc/87/72/87/530877287.db2.gz NMPWINQSUBPWLU-CQSZACIVSA-N 0 0 389.265 1.366 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)ccc1Br ZINC000187987221 530882122 /nfs/dbraw/zinc/88/21/22/530882122.db2.gz DDUVBEHOSHGXPT-UHFFFAOYSA-N 0 0 380.242 1.433 10 0 GDAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188012506 530882724 /nfs/dbraw/zinc/88/27/24/530882724.db2.gz DZMCQDPTIHFZTL-UHFFFAOYSA-N 0 0 394.269 1.823 10 0 GDAERN CCn1cc(CN2CCCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)cn1 ZINC000112707477 530884019 /nfs/dbraw/zinc/88/40/19/530884019.db2.gz BBDHZQVRTGWFKK-UHFFFAOYSA-N 0 0 383.905 1.848 10 0 GDAERN O=C(NCCOc1ccc(Br)cc1)N[C@H]1CCc2ncnn2C1 ZINC000112746670 530884911 /nfs/dbraw/zinc/88/49/11/530884911.db2.gz IPBIMCILJKDCCT-LBPRGKRZSA-N 0 0 380.246 1.734 10 0 GDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000189336802 530911021 /nfs/dbraw/zinc/91/10/21/530911021.db2.gz DZTBHHOJVHDZAH-MRVPVSSYSA-N 0 0 376.201 1.876 10 0 GDAERN Cc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000113789607 530891900 /nfs/dbraw/zinc/89/19/00/530891900.db2.gz YBHIBCMJRMGAMZ-TZMCWYRMSA-N 0 0 384.885 1.647 10 0 GDAERN O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119727471 530930585 /nfs/dbraw/zinc/93/05/85/530930585.db2.gz CHTIBPYDWLTTNW-GFCCVEGCSA-N 0 0 380.495 1.778 10 0 GDAERN O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119727336 530930659 /nfs/dbraw/zinc/93/06/59/530930659.db2.gz CHTIBPYDWLTTNW-LBPRGKRZSA-N 0 0 380.495 1.778 10 0 GDAERN COc1ncnc2c1CN(C(=O)c1c[nH]c(C)c(Br)c1=O)CC2 ZINC000119756207 530931157 /nfs/dbraw/zinc/93/11/57/530931157.db2.gz PNZWFWLPDNZJNB-UHFFFAOYSA-N 0 0 379.214 1.855 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CCN1CCOC ZINC000117526333 530913313 /nfs/dbraw/zinc/91/33/13/530913313.db2.gz LNQQYLLIOWJNPW-OAHLLOKOSA-N 0 0 398.301 1.957 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000189455854 530913932 /nfs/dbraw/zinc/91/39/32/530913932.db2.gz ISOAZASTSHVBRS-ZDUSSCGKSA-N 0 0 398.301 1.611 10 0 GDAERN Cc1cnn(CCNC(=O)CN2C(=O)COc3cc(Br)ccc32)c1 ZINC000117812012 530914308 /nfs/dbraw/zinc/91/43/08/530914308.db2.gz INHZTJNYPRPVBD-UHFFFAOYSA-N 0 0 393.241 1.496 10 0 GDAERN O=C(Nc1nncs1)C1CCN(S(=O)(=O)CCc2cccs2)CC1 ZINC000189539703 530915067 /nfs/dbraw/zinc/91/50/67/530915067.db2.gz HEZYZMZKTLLMJQ-UHFFFAOYSA-N 0 0 386.524 1.823 10 0 GDAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(I)c2)c1 ZINC000118132996 530916555 /nfs/dbraw/zinc/91/65/55/530916555.db2.gz SEUNNKURFHDXJP-UHFFFAOYSA-N 0 0 398.204 1.551 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC(c3ccnn3CCO)CC2)c(Cl)n1 ZINC000189648436 530918105 /nfs/dbraw/zinc/91/81/05/530918105.db2.gz IPMYOOSKKLICHA-UHFFFAOYSA-N 0 0 384.889 1.801 10 0 GDAERN Cc1cc(N2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)n[nH]1 ZINC000189775122 530920792 /nfs/dbraw/zinc/92/07/92/530920792.db2.gz LGWBVPHAYBAOEE-UHFFFAOYSA-N 0 0 390.245 1.486 10 0 GDAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000190629306 530934460 /nfs/dbraw/zinc/93/44/60/530934460.db2.gz YMVWRYFFXBENPQ-KGLIPLIRSA-N 0 0 386.901 1.988 10 0 GDAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(CC(F)(F)F)cc1 ZINC000189980269 530923979 /nfs/dbraw/zinc/92/39/79/530923979.db2.gz YIYQQSLIYMJCQJ-AWEZNQCLSA-N 0 0 378.416 1.933 10 0 GDAERN CC1(C)CN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CCS1(=O)=O ZINC000119478398 530926567 /nfs/dbraw/zinc/92/65/67/530926567.db2.gz CROAPOMCLJOOCO-SECBINFHSA-N 0 0 379.404 1.569 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121891067 530963600 /nfs/dbraw/zinc/96/36/00/530963600.db2.gz WYHFTDRTTUPVDO-ABAIWWIYSA-N 0 0 392.930 1.833 10 0 GDAERN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1 ZINC000190711065 530936443 /nfs/dbraw/zinc/93/64/43/530936443.db2.gz WKQZPKCQJIKEMW-JSGCOSHPSA-N 0 0 388.559 1.348 10 0 GDAERN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cn1C ZINC000120541928 530942607 /nfs/dbraw/zinc/94/26/07/530942607.db2.gz FQGRGDHTEOFEQQ-NSHDSACASA-N 0 0 384.889 1.928 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000121287198 530953292 /nfs/dbraw/zinc/95/32/92/530953292.db2.gz JPTBHOCXQKTBBN-ZDUSSCGKSA-N 0 0 382.258 1.823 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cn2)C[C@H](C)O1 ZINC000192973778 530977230 /nfs/dbraw/zinc/97/72/30/530977230.db2.gz NALVPFKECTUXKO-IUCAKERBSA-N 0 0 389.193 1.261 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000193368424 530985605 /nfs/dbraw/zinc/98/56/05/530985605.db2.gz MAFRKCJOMOMAPI-LBPRGKRZSA-N 0 0 397.273 1.024 10 0 GDAERN CCCCOC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000193357052 530984945 /nfs/dbraw/zinc/98/49/45/530984945.db2.gz ARJSCSUDBAVLSE-INIZCTEOSA-N 0 0 390.933 1.824 10 0 GDAERN Cc1nc(CCNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)sc1C ZINC000122068895 530965976 /nfs/dbraw/zinc/96/59/76/530965976.db2.gz GBYLRIYFVKOSIG-CQSZACIVSA-N 0 0 386.543 1.512 10 0 GDAERN CN(C(=O)c1cc(Br)nn1C)[C@H]1CCCN(c2cccnn2)C1 ZINC000192329996 530967309 /nfs/dbraw/zinc/96/73/09/530967309.db2.gz CCTKWLVOZFKPCU-NSHDSACASA-N 0 0 379.262 1.714 10 0 GDAERN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000122140986 530967409 /nfs/dbraw/zinc/96/74/09/530967409.db2.gz NNGNNTGEOMKZAY-LSDHHAIUSA-N 0 0 386.539 1.728 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000193576469 530989843 /nfs/dbraw/zinc/98/98/43/530989843.db2.gz WNTJJYZNVBOYOV-BZNIZROVSA-N 0 0 382.258 1.936 10 0 GDAERN CC(=O)N[C@H](CC(=O)NC[C@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000194616146 531007799 /nfs/dbraw/zinc/00/77/99/531007799.db2.gz IWPROGHHLZQXNH-JKSUJKDBSA-N 0 0 398.301 1.463 10 0 GDAERN CCc1cnc(CNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000126172796 531015341 /nfs/dbraw/zinc/01/53/41/531015341.db2.gz QCTYQUNBPBRKPX-SNVBAGLBSA-N 0 0 378.479 1.449 10 0 GDAERN CCN1CCO[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000227203681 531032581 /nfs/dbraw/zinc/03/25/81/531032581.db2.gz BLEDPWAYQQHHFF-LLVKDONJSA-N 0 0 392.212 1.881 10 0 GDAERN CN1CCO[C@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000124874359 531000342 /nfs/dbraw/zinc/00/03/42/531000342.db2.gz RAWKMLBCVWYVRM-CQSZACIVSA-N 0 0 379.258 1.695 10 0 GDAERN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000245994757 531061990 /nfs/dbraw/zinc/06/19/90/531061990.db2.gz RCUOPDLVEKZJGP-KBPBESRZSA-N 0 0 386.543 1.152 10 0 GDAERN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000246025897 531062483 /nfs/dbraw/zinc/06/24/83/531062483.db2.gz OTVJNKNQORDQHF-STQMWFEESA-N 0 0 390.502 1.477 10 0 GDAERN Cn1cc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C(N)=O ZINC000246082840 531063113 /nfs/dbraw/zinc/06/31/13/531063113.db2.gz HMSCYDZRANFCII-BXUZGUMPSA-N 0 0 383.495 1.462 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)sc1Br ZINC000246082536 531063214 /nfs/dbraw/zinc/06/32/14/531063214.db2.gz HGLAMJMQEZDJHL-QWRGUYRKSA-N 0 0 397.360 1.895 10 0 GDAERN COc1ccc(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1Br ZINC000246116768 531063750 /nfs/dbraw/zinc/06/37/50/531063750.db2.gz IUSYQCMOJFDOQJ-QWRGUYRKSA-N 0 0 393.303 1.901 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000246209906 531064926 /nfs/dbraw/zinc/06/49/26/531064926.db2.gz RMJXMDNGOYXVLQ-STQMWFEESA-N 0 0 391.331 1.833 10 0 GDAERN O=C1NC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000236156969 531037953 /nfs/dbraw/zinc/03/79/53/531037953.db2.gz NCSCKZWYJSIUDL-BXKDBHETSA-N 0 0 377.235 1.487 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC000245545503 531058009 /nfs/dbraw/zinc/05/80/09/531058009.db2.gz VOQDEVWJMSPUQL-HZPDHXFCSA-N 0 0 387.933 1.921 10 0 GDAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248426341 531078082 /nfs/dbraw/zinc/07/80/82/531078082.db2.gz KRWHVPFVLJVALT-ZYHUDNBSSA-N 0 0 392.465 1.593 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C[S@@](C)=O)cc1 ZINC000248454384 531078454 /nfs/dbraw/zinc/07/84/54/531078454.db2.gz LVNMTXKIXSIZFD-GMBGOVJBSA-N 0 0 388.555 1.571 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1Br ZINC000248724128 531081223 /nfs/dbraw/zinc/08/12/23/531081223.db2.gz GYLKPEBNEWICEH-QWRGUYRKSA-N 0 0 399.289 1.005 10 0 GDAERN CNc1nnc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)s1 ZINC000248706541 531081307 /nfs/dbraw/zinc/08/13/07/531081307.db2.gz AAQSOSNWBFNQIU-VXGBXAGGSA-N 0 0 381.527 1.762 10 0 GDAERN O=C([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000248880034 531082622 /nfs/dbraw/zinc/08/26/22/531082622.db2.gz OATXQYLZFWXXLG-JTQLQIEISA-N 0 0 378.372 1.872 10 0 GDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)C[C@@H]3C(F)(F)F)ccc2O1 ZINC000132734043 531083801 /nfs/dbraw/zinc/08/38/01/531083801.db2.gz PFSZZGJVQWTYNT-TVQRCGJNSA-N 0 0 378.372 1.452 10 0 GDAERN C[C@H]1CN(S(=O)(=O)NCCN2CCc3c(Cl)cccc3C2)[C@@H](C)CO1 ZINC000248999280 531084172 /nfs/dbraw/zinc/08/41/72/531084172.db2.gz YOFUWMPTRXRURW-KBPBESRZSA-N 0 0 387.933 1.642 10 0 GDAERN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000252801243 531091068 /nfs/dbraw/zinc/09/10/68/531091068.db2.gz ACVQJYZIMMABJM-IVMMDQJWSA-N 0 0 386.901 1.485 10 0 GDAERN Cc1c(C(=O)N[C@@H]2CCO[C@@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000134272339 531099007 /nfs/dbraw/zinc/09/90/07/531099007.db2.gz AWUURDHMBZIJNH-LDYMZIIASA-N 0 0 377.260 1.312 10 0 GDAERN COCCN(C)S(=O)(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246635029 531069099 /nfs/dbraw/zinc/06/90/99/531069099.db2.gz JFYHFWMSXVUXOT-KBPBESRZSA-N 0 0 382.404 1.636 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)N[C@H](C)CCS(C)(=O)=O)CC2)cs1 ZINC000135290617 531108122 /nfs/dbraw/zinc/10/81/22/531108122.db2.gz IFAUSFWZRVTMGK-CYBMUJFWSA-N 0 0 388.559 1.492 10 0 GDAERN Cc1cnn(CCNC(=O)NC[C@@H](O)COc2ccccc2Br)c1 ZINC000141228584 531122055 /nfs/dbraw/zinc/12/20/55/531122055.db2.gz BYOMDYQAUQWOTO-CYBMUJFWSA-N 0 0 397.273 1.693 10 0 GDAERN COc1ccc(Br)c(CC(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000151775875 531142494 /nfs/dbraw/zinc/14/24/94/531142494.db2.gz RFVKAZAKYLSGSX-OAHLLOKOSA-N 0 0 383.286 1.980 10 0 GDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(Br)c(C)[nH]c2=O)n1 ZINC000153200256 531164752 /nfs/dbraw/zinc/16/47/52/531164752.db2.gz RIXOXHFQMKIAFO-NSHDSACASA-N 0 0 383.202 1.763 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Br)ccc1Cl ZINC000154108734 531177992 /nfs/dbraw/zinc/17/79/92/531177992.db2.gz LVUAIBKBYMLPIE-LLVKDONJSA-N 0 0 377.666 1.525 10 0 GDAERN Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000154211748 531180062 /nfs/dbraw/zinc/18/00/62/531180062.db2.gz KPYYIUGKRHZAGW-SNVBAGLBSA-N 0 0 378.230 1.419 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000154839423 531189668 /nfs/dbraw/zinc/18/96/68/531189668.db2.gz NYRBNJLACMGVNS-AWEZNQCLSA-N 0 0 392.257 1.634 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cc(Br)ccc1=O ZINC000155187604 531197568 /nfs/dbraw/zinc/19/75/68/531197568.db2.gz ZLDKUEKJZFPJBZ-NSHDSACASA-N 0 0 396.245 1.000 10 0 GDAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000155274245 531198801 /nfs/dbraw/zinc/19/88/01/531198801.db2.gz XHFXDRYQLBMTCS-ZDUSSCGKSA-N 0 0 392.257 1.771 10 0 GDAERN Cn1cc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc(Br)c1=O ZINC000156142547 531204122 /nfs/dbraw/zinc/20/41/22/531204122.db2.gz IENSNGSGVJHCBA-GFCCVEGCSA-N 0 0 396.245 1.277 10 0 GDAERN O=C(N[C@@H]1CCc2c1cccc2Br)C1CC2(C1)NC(=O)NC2=O ZINC000157291579 531206449 /nfs/dbraw/zinc/20/64/49/531206449.db2.gz MUDSFLITMJYXMU-ADOSGYPWSA-N 0 0 378.226 1.541 10 0 GDAERN NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000407956948 531208544 /nfs/dbraw/zinc/20/85/44/531208544.db2.gz KHEAAQCXMVODMG-INWMFGNUSA-N 0 0 399.310 1.542 10 0 GDAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@H]2C1 ZINC000408030560 531212957 /nfs/dbraw/zinc/21/29/57/531212957.db2.gz ZVFQYUZAJNTRRZ-NWDGAFQWSA-N 0 0 380.388 1.679 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cs1 ZINC000408039722 531212987 /nfs/dbraw/zinc/21/29/87/531212987.db2.gz XSBNIWFJMAIDFW-MFKMUULPSA-N 0 0 383.495 1.011 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000408032233 531213200 /nfs/dbraw/zinc/21/32/00/531213200.db2.gz TZGDWDUTHATFQO-QGZVFWFLSA-N 0 0 386.901 1.786 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cs1 ZINC000408039721 531213477 /nfs/dbraw/zinc/21/34/77/531213477.db2.gz XSBNIWFJMAIDFW-GXFFZTMASA-N 0 0 383.495 1.011 10 0 GDAERN CS(=O)(=O)c1csc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000408059147 531215307 /nfs/dbraw/zinc/21/53/07/531215307.db2.gz PDCXVAXIIAIZGU-RISCZKNCSA-N 0 0 382.507 1.767 10 0 GDAERN NS(=O)(=O)c1cc(Br)cnc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408156320 531223385 /nfs/dbraw/zinc/22/33/85/531223385.db2.gz XVCFPIJRXZLMSJ-IINYFYTJSA-N 0 0 390.303 1.623 10 0 GDAERN CCC1(CO)CCN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)CC1 ZINC000408446250 531242882 /nfs/dbraw/zinc/24/28/82/531242882.db2.gz IWIAQTQSERUJQU-UHFFFAOYSA-N 0 0 375.535 1.383 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C[C@@H](C)O1 ZINC000266801507 531370501 /nfs/dbraw/zinc/37/05/01/531370501.db2.gz CAUWXIXFCBGUQH-HTQZYQBOSA-N 0 0 390.259 1.417 10 0 GDAERN COc1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1Br ZINC000281949880 531682129 /nfs/dbraw/zinc/68/21/29/531682129.db2.gz IQKYZNGJNFEIEN-UHFFFAOYSA-N 0 0 377.260 1.357 10 0 GDAERN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCS(=O)(=O)c3ccccc31)CS2 ZINC000298189105 531863262 /nfs/dbraw/zinc/86/32/62/531863262.db2.gz BFTBCKGIXSVRTH-DCGLDWPTSA-N 0 0 380.491 1.475 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H]1C(N)=O ZINC000284723339 531984335 /nfs/dbraw/zinc/98/43/35/531984335.db2.gz LQBYMHOTVPJONQ-LDYMZIIASA-N 0 0 389.271 1.126 10 0 GDAERN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)N1CCOC[C@@H]1C ZINC000301395227 532032438 /nfs/dbraw/zinc/03/24/38/532032438.db2.gz LFKQXXJGGVIWGJ-QWRGUYRKSA-N 0 0 381.420 1.874 10 0 GDAERN CNC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CCO1 ZINC000374224510 532114553 /nfs/dbraw/zinc/11/45/53/532114553.db2.gz JGGQXSFXSBYLQT-VKJFTORMSA-N 0 0 393.281 1.626 10 0 GDAERN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)c(C)n1C1CC1 ZINC000328629165 212087864 /nfs/dbraw/zinc/08/78/64/212087864.db2.gz ONJPGFJYXCVPFY-KRWDZBQOSA-N 0 0 376.482 1.785 10 0 GDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Cc2cc(F)ccc2F)cn1 ZINC000328618957 212086307 /nfs/dbraw/zinc/08/63/07/212086307.db2.gz FHOBQNCGIITFCE-INIZCTEOSA-N 0 0 383.420 1.722 10 0 GDAERN Cc1cccc(NC(=O)CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C ZINC000006946577 220979468 /nfs/dbraw/zinc/97/94/68/220979468.db2.gz WBMLQXHJJFLBKV-UHFFFAOYSA-N 0 0 383.235 1.922 10 0 GDAERN Cc1cnc(C)c(-c2cc3c(c(F)c2)O[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C3)n1 ZINC000012029448 221143189 /nfs/dbraw/zinc/14/31/89/221143189.db2.gz IXECESWLGTYTIE-ZBFHGGJFSA-N 0 0 384.411 1.598 10 0 GDAERN CO[C@@H]1CN(C(=O)Cn2cnc3ccccc32)CC(=O)N(Cc2cccnc2)C1 ZINC000014543460 221312587 /nfs/dbraw/zinc/31/25/87/221312587.db2.gz CZXGXDLGFOYDIM-KRWDZBQOSA-N 0 0 393.447 1.317 10 0 GDAERN O=C1CSc2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)cc2N1 ZINC000015677256 221339675 /nfs/dbraw/zinc/33/96/75/221339675.db2.gz AJXSGYBKXUTDKT-UHFFFAOYSA-N 0 0 381.523 1.980 10 0 GDAERN CN(Cc1cc[nH]n1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 ZINC000020998599 221523455 /nfs/dbraw/zinc/52/34/55/221523455.db2.gz HIFYORGZIUCRBD-MRXNPFEDSA-N 0 0 377.395 1.037 10 0 GDAERN Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2nncn21 ZINC000065311728 136163082 /nfs/dbraw/zinc/16/30/82/136163082.db2.gz CKSIBIKKGLHUFW-UHFFFAOYSA-N 0 0 386.843 1.814 10 0 GDAERN COc1ccc(C(=O)N2CCN(c3cc(C)n4cnnc4n3)CC2)c(OC)c1 ZINC000065311742 136163303 /nfs/dbraw/zinc/16/33/03/136163303.db2.gz XGKXZLXREAAUQA-UHFFFAOYSA-N 0 0 382.424 1.412 10 0 GDAERN CC(C)NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000064889262 222086395 /nfs/dbraw/zinc/08/63/95/222086395.db2.gz JIFNFMQDXPZLKI-UHFFFAOYSA-N 0 0 379.486 1.521 10 0 GDAERN O=C(c1noc2c1CCCC2)N1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082098146 222308348 /nfs/dbraw/zinc/30/83/48/222308348.db2.gz YIAZGAKPJGQPKG-FQEVSTJZSA-N 0 0 375.469 1.781 10 0 GDAERN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000109501695 222514477 /nfs/dbraw/zinc/51/44/77/222514477.db2.gz QONUZLHVZCJOCY-NSHDSACASA-N 0 0 380.326 1.786 10 0 GDAERN Cc1cc(C)n(-c2nc(-c3ccncc3)cc(N3CC[NH+](CC(=O)[O-])CC3)n2)n1 ZINC000073685781 524497199 /nfs/dbraw/zinc/49/71/99/524497199.db2.gz FRBOGILNXFSJPT-UHFFFAOYSA-N 0 0 393.451 1.548 10 0 GDAERN Cc1cc(C)n(-c2nc(-c3ccccn3)cc(N3CC[NH+](CC(=O)[O-])CC3)n2)n1 ZINC000073685788 524497689 /nfs/dbraw/zinc/49/76/89/524497689.db2.gz QZTZVRFMBCAGNV-UHFFFAOYSA-N 0 0 393.451 1.548 10 0 GDAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccn3)nc(-c3cccnc3)n2)CC1 ZINC000073685603 527610957 /nfs/dbraw/zinc/61/09/57/527610957.db2.gz GYGMZYQQUSWQDM-UHFFFAOYSA-N 0 0 376.420 1.807 10 0 GDAERN Cc1nn(CCC(=O)N2CCc3ccccc3C2)c(C)c1S(=O)(=O)N(C)C ZINC000035428632 570356021 /nfs/dbraw/zinc/35/60/21/570356021.db2.gz UCNRWCPPBILHIE-UHFFFAOYSA-N 0 0 390.509 1.725 10 0 GDAERN COC[C@@H](NC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1)C1CC1 ZINC000408474806 570369287 /nfs/dbraw/zinc/36/92/87/570369287.db2.gz QZQRNUOMYJPFEN-IAGOWNOFSA-N 0 0 375.473 1.585 10 0 GDAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O ZINC000033752083 570416505 /nfs/dbraw/zinc/41/65/05/570416505.db2.gz NOWBLZLCSWCLAG-IIDMSEBBSA-N 0 0 385.464 1.712 10 0 GDAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)C2)n1 ZINC000275258126 570689003 /nfs/dbraw/zinc/68/90/03/570689003.db2.gz HNMUOKBHYMEOSR-JDNHERCYSA-N 0 0 399.856 1.637 10 0 GDAERN COc1ccc(CCNC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)c(F)c1 ZINC000583615139 570800065 /nfs/dbraw/zinc/80/00/65/570800065.db2.gz JSCKYECZONLAGT-CQSZACIVSA-N 0 0 388.443 1.702 10 0 GDAERN CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000005028717 570897354 /nfs/dbraw/zinc/89/73/54/570897354.db2.gz LPCXKUMBURBDNS-STQMWFEESA-N 0 0 395.481 1.447 10 0 GDAERN C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])sc2Br)C1 ZINC000062966653 644518735 /nfs/dbraw/zinc/51/87/35/644518735.db2.gz QSMVREYEJJTUIV-ZETCQYMHSA-N 0 0 383.289 1.533 10 0 GDAERN C[C@@H]1CN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)C[C@H](C(N)=O)O1 ZINC000120175658 644668101 /nfs/dbraw/zinc/66/81/01/644668101.db2.gz PSUHNUYHOKNLSK-ZWNOBZJWSA-N 0 0 381.889 1.804 10 0 GDAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnc(Br)cn1 ZINC000133251071 644753157 /nfs/dbraw/zinc/75/31/57/644753157.db2.gz ULBCMOVGCYNGEQ-SECBINFHSA-N 0 0 377.264 1.382 10 0 GDAERN S=c1sc(N2CCOCC2)nn1CN1CCO[C@@H](c2nccs2)C1 ZINC000152233287 644786965 /nfs/dbraw/zinc/78/69/65/644786965.db2.gz PUFKFUKETOWTGE-LLVKDONJSA-N 0 0 385.540 1.998 10 0 GDAERN CC(=O)c1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)ccc1Br ZINC000180262301 644943624 /nfs/dbraw/zinc/94/36/24/644943624.db2.gz GMDMGHHZGYEIKO-LLVKDONJSA-N 0 0 375.288 1.976 10 0 GDAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCn1cc(Br)ccc1=O ZINC000181365932 644954102 /nfs/dbraw/zinc/95/41/02/644954102.db2.gz KWPCKQBOJKTYKD-SNVBAGLBSA-N 0 0 383.198 1.566 10 0 GDAERN C[C@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cc(Br)cn1 ZINC000223484925 645074409 /nfs/dbraw/zinc/07/44/09/645074409.db2.gz KAENXFMDGOCKHF-SSDOTTSWSA-N 0 0 393.167 1.859 10 0 GDAERN C[C@@](O)(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)CN1CCOCC1 ZINC000301452954 645236284 /nfs/dbraw/zinc/23/62/84/645236284.db2.gz YAUUJHDBSPIGDS-CQSZACIVSA-N 0 0 382.404 1.475 10 0 GDAERN CCNC(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000301451857 645236398 /nfs/dbraw/zinc/23/63/98/645236398.db2.gz UQRPYJVCLZTYDU-JTQLQIEISA-N 0 0 379.404 1.705 10 0 GDAERN O=c1cc(N2CCC2)cnn1[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000328604797 645272260 /nfs/dbraw/zinc/27/22/60/645272260.db2.gz LBAMPVOTSPUCNA-CYBMUJFWSA-N 0 0 380.495 1.541 10 0 GDAERN CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000328812941 645278691 /nfs/dbraw/zinc/27/86/91/645278691.db2.gz FSTMFGKQEYTNEE-HNNXBMFYSA-N 0 0 375.560 1.536 10 0 GDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Br)cn1)CC2 ZINC000329757042 645327796 /nfs/dbraw/zinc/32/77/96/645327796.db2.gz ZCBDZGNCVKARDA-SNVBAGLBSA-N 0 0 386.275 1.291 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@H](n2ccnn2)C1 ZINC000585321438 652084456 /nfs/dbraw/zinc/08/44/56/652084456.db2.gz SLTCJVQMYJTFMU-ZDUSSCGKSA-N 0 0 383.861 1.074 10 0 GDAERN Cc1nnsc1CN1C[C@H](C(=O)N2CCC(O)CC2)[C@@H](C(F)(F)F)C1 ZINC000888103224 657863279 /nfs/dbraw/zinc/86/32/79/657863279.db2.gz QVBRESILJPNMFR-RYUDHWBXSA-N 0 0 378.420 1.440 10 0 GDAERN Cc1[nH]nc(I)c1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000896172063 658755383 /nfs/dbraw/zinc/75/53/83/658755383.db2.gz AANAEJDMPJVCSA-VIFPVBQESA-N 0 0 386.197 1.392 10 0 GDAERN C[S@@](=O)Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000158475586 530533333 /nfs/dbraw/zinc/53/33/33/530533333.db2.gz NWPBYRQNVJCOIA-DJPMOHGLSA-N 0 0 386.901 1.824 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)C[C@H](C)O1 ZINC000158577180 530534271 /nfs/dbraw/zinc/53/42/71/530534271.db2.gz YTHCFPVBCALEAO-DDFXLWFNSA-N 0 0 376.425 1.427 10 0 GDAERN CCOC(=O)C1=C(NC(=O)CSc2nnnn2C)S[C@H]2CCCC[C@@H]12 ZINC000004735869 530536836 /nfs/dbraw/zinc/53/68/36/530536836.db2.gz AARBTZYURUTCNL-ZJUUUORDSA-N 0 0 383.499 1.499 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000166886682 530583364 /nfs/dbraw/zinc/58/33/64/530583364.db2.gz YVOVAAJQPJDXAW-LLVKDONJSA-N 0 0 388.649 1.778 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000162446835 530567944 /nfs/dbraw/zinc/56/79/44/530567944.db2.gz MBIXYKIHLQEVNW-JTQLQIEISA-N 0 0 375.853 1.437 10 0 GDAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000162457925 530568775 /nfs/dbraw/zinc/56/87/75/530568775.db2.gz XRCQXVXJSRFBDS-UHFFFAOYSA-N 0 0 386.836 1.869 10 0 GDAERN C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCOCC1 ZINC000030338055 530598543 /nfs/dbraw/zinc/59/85/43/530598543.db2.gz CMNWGFMXQYGUEH-JTQLQIEISA-N 0 0 384.832 1.940 10 0 GDAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)c1 ZINC000171834772 530603821 /nfs/dbraw/zinc/60/38/21/530603821.db2.gz KBBIRVQZWXIKAE-NSHDSACASA-N 0 0 391.280 1.983 10 0 GDAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172404169 530612681 /nfs/dbraw/zinc/61/26/81/530612681.db2.gz LUOGRMFKXGQWOP-OLZOCXBDSA-N 0 0 384.523 1.634 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Br)cnc3N(C)C)CCO2)[nH]1 ZINC000173092766 530623297 /nfs/dbraw/zinc/62/32/97/530623297.db2.gz QLBCXBGEMBVPBJ-GFCCVEGCSA-N 0 0 395.261 1.550 10 0 GDAERN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCS(=O)(=O)c3ccccc31)CS2 ZINC000042039672 530626352 /nfs/dbraw/zinc/62/63/52/530626352.db2.gz BFTBCKGIXSVRTH-IGCXYCKISA-N 0 0 380.491 1.475 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173697396 530634657 /nfs/dbraw/zinc/63/46/57/530634657.db2.gz WORSTZJFRHBWOI-LLVKDONJSA-N 0 0 396.220 1.982 10 0 GDAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)[nH]1 ZINC000173737413 530635566 /nfs/dbraw/zinc/63/55/66/530635566.db2.gz QVDIHEFDUSPDIL-NSHDSACASA-N 0 0 376.360 1.547 10 0 GDAERN C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@@H]1N1CCOCC1 ZINC000173845865 530638186 /nfs/dbraw/zinc/63/81/86/530638186.db2.gz BMFJEWQXLYEIQL-QWRGUYRKSA-N 0 0 394.465 1.537 10 0 GDAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173839493 530638312 /nfs/dbraw/zinc/63/83/12/530638312.db2.gz BRNBIHPBCSORCC-SNVBAGLBSA-N 0 0 392.268 1.831 10 0 GDAERN CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000173831493 530638421 /nfs/dbraw/zinc/63/84/21/530638421.db2.gz KGJJJRGLKXZAAF-LBPRGKRZSA-N 0 0 392.257 1.668 10 0 GDAERN Cc1nc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cn1C ZINC000175225307 530661188 /nfs/dbraw/zinc/66/11/88/530661188.db2.gz MJQHZSWQSSTWMR-OCCSQVGLSA-N 0 0 384.527 1.530 10 0 GDAERN CN(C)C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000175653822 530667995 /nfs/dbraw/zinc/66/79/95/530667995.db2.gz SNPLYRXYWCCTMU-CQSZACIVSA-N 0 0 391.331 1.485 10 0 GDAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC(n2cncn2)CC1 ZINC000177420858 530703249 /nfs/dbraw/zinc/70/32/49/530703249.db2.gz BHUUMCLZXVPFQU-UHFFFAOYSA-N 0 0 396.220 1.982 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1c(F)cccc1I)C(C)C ZINC000178846194 530729305 /nfs/dbraw/zinc/72/93/05/530729305.db2.gz XYMHUBNCYRHHQE-LLVKDONJSA-N 0 0 378.185 1.931 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C(C)C ZINC000178848202 530729442 /nfs/dbraw/zinc/72/94/42/530729442.db2.gz PFWRNGPNSQMBNE-CYBMUJFWSA-N 0 0 380.242 1.791 10 0 GDAERN Cc1cnn(CCNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c1 ZINC000179954308 530753612 /nfs/dbraw/zinc/75/36/12/530753612.db2.gz CGLBFKUVOCUHTL-UHFFFAOYSA-N 0 0 383.904 1.288 10 0 GDAERN CCc1nnc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)n1C ZINC000180085645 530757453 /nfs/dbraw/zinc/75/74/53/530757453.db2.gz WARJXQWUWZYYPS-NSHDSACASA-N 0 0 384.889 1.823 10 0 GDAERN CCc1nnc(CS(=O)(=O)CC(=O)NCCc2ccc(Cl)cc2)n1C ZINC000180090242 530757780 /nfs/dbraw/zinc/75/77/80/530757780.db2.gz WVXNNPRXERQMRY-UHFFFAOYSA-N 0 0 384.889 1.305 10 0 GDAERN CCOCCN1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1C ZINC000179584938 530745215 /nfs/dbraw/zinc/74/52/15/530745215.db2.gz SWDOGTQQRUMLPC-GFCCVEGCSA-N 0 0 396.289 1.675 10 0 GDAERN Cn1cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)cc(Br)c1=O ZINC000179616753 530746030 /nfs/dbraw/zinc/74/60/30/530746030.db2.gz QSPHBXWAMQIKFO-LBPRGKRZSA-N 0 0 392.209 1.336 10 0 GDAERN C[C@@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1N1CCOCC1 ZINC000179649653 530746351 /nfs/dbraw/zinc/74/63/51/530746351.db2.gz VYLZBUJXAXHFLP-RISCZKNCSA-N 0 0 394.273 1.285 10 0 GDAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000179735115 530748557 /nfs/dbraw/zinc/74/85/57/530748557.db2.gz BIWKNHJVEKLGNK-ZYHUDNBSSA-N 0 0 393.665 1.028 10 0 GDAERN NC(=O)[C@@H]1COCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000179738690 530749243 /nfs/dbraw/zinc/74/92/43/530749243.db2.gz IOLZWIYNZIKTNY-AWEZNQCLSA-N 0 0 377.242 1.592 10 0 GDAERN CC(C)(NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1Br ZINC000181520385 530786066 /nfs/dbraw/zinc/78/60/66/530786066.db2.gz VSXDXJXUEMLAFD-GFCCVEGCSA-N 0 0 382.302 1.998 10 0 GDAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1sccc1-n1cnnn1 ZINC000070890371 530803084 /nfs/dbraw/zinc/80/30/84/530803084.db2.gz YNHDQYHIANWXNO-NSHDSACASA-N 0 0 375.435 1.372 10 0 GDAERN COc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1Br ZINC000101980878 530827009 /nfs/dbraw/zinc/82/70/09/530827009.db2.gz BNZYYPIZTOGCEX-LBPRGKRZSA-N 0 0 386.290 1.978 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000088767134 530808852 /nfs/dbraw/zinc/80/88/52/530808852.db2.gz KGDLUFGNSGHTQF-AWEZNQCLSA-N 0 0 376.544 1.805 10 0 GDAERN C[C@@H](C(=O)NCc1ncn(C)n1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000092892912 530813095 /nfs/dbraw/zinc/81/30/95/530813095.db2.gz KFUPSSYAMVLTLN-ZETCQYMHSA-N 0 0 382.207 1.423 10 0 GDAERN CNC(=O)[C@H](NCCS(=O)(=O)c1cccc(Br)c1)C(C)C ZINC000183643238 530818818 /nfs/dbraw/zinc/81/88/18/530818818.db2.gz HFLFVFNRAHNXII-CYBMUJFWSA-N 0 0 377.304 1.583 10 0 GDAERN CS(=O)(=O)c1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c(Cl)s1 ZINC000097032829 530819665 /nfs/dbraw/zinc/81/96/65/530819665.db2.gz DIATXCHSEYAEKV-SSDOTTSWSA-N 0 0 396.903 1.210 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(Cl)cc1 ZINC000185921727 530848232 /nfs/dbraw/zinc/84/82/32/530848232.db2.gz FUYMYWPFIUSJSX-UHFFFAOYSA-N 0 0 378.837 1.787 10 0 GDAERN Cn1nc(Br)c2c1ncnc2N1CCC[C@H](Cn2cncn2)C1 ZINC000108847000 530859769 /nfs/dbraw/zinc/85/97/69/530859769.db2.gz CDFGHKGUCBIVFA-JTQLQIEISA-N 0 0 377.250 1.634 10 0 GDAERN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000109976038 530865713 /nfs/dbraw/zinc/86/57/13/530865713.db2.gz VGHDMOLYCFZQNO-ZIAGYGMSSA-N 0 0 394.269 1.449 10 0 GDAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000109944483 530866036 /nfs/dbraw/zinc/86/60/36/530866036.db2.gz PPPBXISFPVPMGV-NSHDSACASA-N 0 0 384.274 1.659 10 0 GDAERN CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CNC(=O)C1 ZINC000110382818 530867267 /nfs/dbraw/zinc/86/72/67/530867267.db2.gz VIUPRXDYZVKMFR-LBPRGKRZSA-N 0 0 382.258 1.050 10 0 GDAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000187169619 530868282 /nfs/dbraw/zinc/86/82/82/530868282.db2.gz QBVCVEOFTYOHMG-JTQLQIEISA-N 0 0 388.237 1.282 10 0 GDAERN O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCO[C@H](c2nccs2)C1 ZINC000110875667 530870359 /nfs/dbraw/zinc/87/03/59/530870359.db2.gz XWBNANUPHZAKMK-ZDUSSCGKSA-N 0 0 376.829 1.986 10 0 GDAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000105691903 530844115 /nfs/dbraw/zinc/84/41/15/530844115.db2.gz UJWUGTDNPWCLMK-DEOSSOPVSA-N 0 0 390.527 1.618 10 0 GDAERN O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CCc2ncnn2C1 ZINC000188856924 530902653 /nfs/dbraw/zinc/90/26/53/530902653.db2.gz FUSRHIBPYRJQHZ-LLVKDONJSA-N 0 0 384.209 1.926 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000188916433 530903993 /nfs/dbraw/zinc/90/39/93/530903993.db2.gz NPASBPIVCARWSJ-LLVKDONJSA-N 0 0 377.242 1.985 10 0 GDAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)n1 ZINC000112093399 530878040 /nfs/dbraw/zinc/87/80/40/530878040.db2.gz SZWHHORNOKITAL-LLVKDONJSA-N 0 0 385.877 1.748 10 0 GDAERN Cc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1I ZINC000112653115 530883218 /nfs/dbraw/zinc/88/32/18/530883218.db2.gz MRATVVGCTFCQAY-SNVBAGLBSA-N 0 0 382.205 1.936 10 0 GDAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cc1Br ZINC000188057820 530883663 /nfs/dbraw/zinc/88/36/63/530883663.db2.gz HKKJIXMJJQCJKK-CYBMUJFWSA-N 0 0 398.301 1.841 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000188074166 530884364 /nfs/dbraw/zinc/88/43/64/530884364.db2.gz IXLIPDVVNGODCS-NEPJUHHUSA-N 0 0 394.269 1.539 10 0 GDAERN O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)NC(=O)NCc1cccs1 ZINC000188159466 530887047 /nfs/dbraw/zinc/88/70/47/530887047.db2.gz SUOHCNBBSAHCBV-ZFWWWQNUSA-N 0 0 379.507 1.843 10 0 GDAERN CC(=O)c1cc(S(=O)(=O)N2CCCN(C)C(=O)C2)ccc1Br ZINC000188218117 530889648 /nfs/dbraw/zinc/88/96/48/530889648.db2.gz FZXKGYJDQCPYGX-UHFFFAOYSA-N 0 0 389.271 1.505 10 0 GDAERN CC(=O)NC1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000188556738 530896325 /nfs/dbraw/zinc/89/63/25/530896325.db2.gz WRQMBFLWGUCBCT-UHFFFAOYSA-N 0 0 385.642 1.751 10 0 GDAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCn1cc(Br)ccc1=O)CC2 ZINC000114866418 530897144 /nfs/dbraw/zinc/89/71/44/530897144.db2.gz HQZOMCZZSLSNEY-LBPRGKRZSA-N 0 0 394.273 1.286 10 0 GDAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190417825 530929766 /nfs/dbraw/zinc/92/97/66/530929766.db2.gz XIEVPSWJFCAPID-UHFFFAOYSA-N 0 0 380.495 1.768 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C ZINC000117369669 530912396 /nfs/dbraw/zinc/91/23/96/530912396.db2.gz YSMCZHDKWHLLAH-LBPRGKRZSA-N 0 0 377.304 1.790 10 0 GDAERN Cc1cnn(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1 ZINC000117812016 530913890 /nfs/dbraw/zinc/91/38/90/530913890.db2.gz JEHZHMZFXHYONJ-UHFFFAOYSA-N 0 0 390.241 1.480 10 0 GDAERN CC(=O)NC1CN(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000189940210 530923216 /nfs/dbraw/zinc/92/32/16/530923216.db2.gz QDWZCWSNJCHFSX-ZDUSSCGKSA-N 0 0 395.301 1.805 10 0 GDAERN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@H](O)C1 ZINC000119455284 530925796 /nfs/dbraw/zinc/92/57/96/530925796.db2.gz QUTDDOLVSDEJCO-ZFWWWQNUSA-N 0 0 386.901 1.724 10 0 GDAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000190342460 530928652 /nfs/dbraw/zinc/92/86/52/530928652.db2.gz FZPCNUZODXGTGF-LBPRGKRZSA-N 0 0 387.205 1.999 10 0 GDAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000192098422 530961754 /nfs/dbraw/zinc/96/17/54/530961754.db2.gz JJMHMBFGKRRLHN-SNVBAGLBSA-N 0 0 387.267 1.057 10 0 GDAERN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)C(N)=O ZINC000192183719 530964257 /nfs/dbraw/zinc/96/42/57/530964257.db2.gz CYKDZVBRVSVSCB-JTQLQIEISA-N 0 0 376.638 1.667 10 0 GDAERN O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000120536131 530941879 /nfs/dbraw/zinc/94/18/79/530941879.db2.gz LZEMGSLFFLTIPJ-STQMWFEESA-N 0 0 380.246 1.908 10 0 GDAERN O=C(Nc1cnn(-c2ccccc2Br)c1)C(=O)N1CCC[C@@H]1CO ZINC000121124970 530950500 /nfs/dbraw/zinc/95/05/00/530950500.db2.gz JIMIQRZGJQVNRH-GFCCVEGCSA-N 0 0 393.241 1.557 10 0 GDAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1cncc(I)c1 ZINC000121483161 530956780 /nfs/dbraw/zinc/95/67/80/530956780.db2.gz KKVRUNFRTAMNQN-ZDUSSCGKSA-N 0 0 387.221 1.279 10 0 GDAERN CC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CCN1C[C@@H](C)O ZINC000122724631 530975622 /nfs/dbraw/zinc/97/56/22/530975622.db2.gz BOTNGLSEDVZXQL-OLZOCXBDSA-N 0 0 386.905 1.453 10 0 GDAERN Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1F ZINC000192969928 530977218 /nfs/dbraw/zinc/97/72/18/530977218.db2.gz YKUFAUXJBWJLDM-SNVBAGLBSA-N 0 0 388.237 1.282 10 0 GDAERN CCCCOC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000193375174 530985502 /nfs/dbraw/zinc/98/55/02/530985502.db2.gz GMLAMHKWCRYKAZ-INIZCTEOSA-N 0 0 390.571 1.849 10 0 GDAERN C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1cccc(Br)c1 ZINC000193334445 530984036 /nfs/dbraw/zinc/98/40/36/530984036.db2.gz GBQDYXYTUSSMBA-ZDUSSCGKSA-N 0 0 397.317 1.973 10 0 GDAERN CN(CC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000123475943 530984549 /nfs/dbraw/zinc/98/45/49/530984549.db2.gz FJTIDFLCZMOZHL-QWHCGFSZSA-N 0 0 380.388 1.231 10 0 GDAERN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122141940 530967606 /nfs/dbraw/zinc/96/76/06/530967606.db2.gz OTVJNKNQORDQHF-QWHCGFSZSA-N 0 0 390.502 1.477 10 0 GDAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1C ZINC000122397153 530971257 /nfs/dbraw/zinc/97/12/57/530971257.db2.gz VCYNBCHVTDXXLI-NXEZZACHSA-N 0 0 383.333 1.586 10 0 GDAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c(Cl)n1 ZINC000193942222 530996229 /nfs/dbraw/zinc/99/62/29/530996229.db2.gz BWNMJVCDZIDBJC-GFCCVEGCSA-N 0 0 380.857 1.631 10 0 GDAERN Cc1nc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ccc1Br ZINC000193458201 530987297 /nfs/dbraw/zinc/98/72/97/530987297.db2.gz MMOLZKVGMYWXLE-LBPRGKRZSA-N 0 0 381.274 1.788 10 0 GDAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000193520526 530988363 /nfs/dbraw/zinc/98/83/63/530988363.db2.gz ZMWAOLRALCZDLB-QMMMGPOBSA-N 0 0 384.223 1.491 10 0 GDAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000194879453 531011364 /nfs/dbraw/zinc/01/13/64/531011364.db2.gz ASVLXVKMBMGISE-LLVKDONJSA-N 0 0 377.919 1.377 10 0 GDAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)CC2 ZINC000195272785 531019298 /nfs/dbraw/zinc/01/92/98/531019298.db2.gz NVMMFRMISCRPBE-LBPRGKRZSA-N 0 0 394.273 1.457 10 0 GDAERN CCN1CCO[C@H](CNC(=O)c2ccc(I)c(O)c2)C1 ZINC000230895239 531034773 /nfs/dbraw/zinc/03/47/73/531034773.db2.gz QAXANNRECBBDPN-LLVKDONJSA-N 0 0 390.221 1.447 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000195427916 531022509 /nfs/dbraw/zinc/02/25/09/531022509.db2.gz VYYZOUXOMVHRSR-UHFFFAOYSA-N 0 0 385.877 1.181 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000129046205 531047256 /nfs/dbraw/zinc/04/72/56/531047256.db2.gz IEJNDEPGYWEBQU-CQSZACIVSA-N 0 0 381.885 1.886 10 0 GDAERN Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@]3(C)CC3(Cl)Cl)CC2)cn1 ZINC000129881892 531055569 /nfs/dbraw/zinc/05/55/69/531055569.db2.gz LIWFGLVYNJJUQW-ZDUSSCGKSA-N 0 0 395.312 1.273 10 0 GDAERN Cc1nc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)sc1Br ZINC000245540722 531058107 /nfs/dbraw/zinc/05/81/07/531058107.db2.gz PQODDICIMNYZFG-DTWKUNHWSA-N 0 0 394.316 1.646 10 0 GDAERN C[C@H](CO)[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000245641312 531058839 /nfs/dbraw/zinc/05/88/39/531058839.db2.gz HUWPMWZDLBHHDH-RDBSUJKOSA-N 0 0 388.917 1.874 10 0 GDAERN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c(Cl)s1 ZINC000245588371 531059111 /nfs/dbraw/zinc/05/91/11/531059111.db2.gz FQAGXDFXBZQMGA-JTQLQIEISA-N 0 0 398.959 1.664 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1Br ZINC000247247128 531073362 /nfs/dbraw/zinc/07/33/62/531073362.db2.gz ZWCQMPQOJFVCJY-MNOVXSKESA-N 0 0 396.328 1.954 10 0 GDAERN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N(CCO)C1CC1 ZINC000132336855 531080149 /nfs/dbraw/zinc/08/01/49/531080149.db2.gz DVPPOWLNAQANKA-CYBMUJFWSA-N 0 0 386.901 1.724 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(Cl)n1 ZINC000248637967 531080244 /nfs/dbraw/zinc/08/02/44/531080244.db2.gz AQHRSHZDMYJRJI-TZMCWYRMSA-N 0 0 384.889 1.911 10 0 GDAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)C[C@@H]3C(F)(F)F)ccc2O1 ZINC000132733844 531083727 /nfs/dbraw/zinc/08/37/27/531083727.db2.gz PFSZZGJVQWTYNT-NOZJJQNGSA-N 0 0 378.372 1.452 10 0 GDAERN O=C(Cc1ccccc1I)N[C@@H]1CCc2ncnn2C1 ZINC000132820898 531084236 /nfs/dbraw/zinc/08/42/36/531084236.db2.gz FUMVPDPCLOLNRU-LLVKDONJSA-N 0 0 382.205 1.556 10 0 GDAERN O=C(CN1CC[C@H](S(=O)(=O)N2CCCC2)C1)Nc1cc(Cl)ccc1F ZINC000135705569 531111654 /nfs/dbraw/zinc/11/16/54/531111654.db2.gz MTWUZINCKFZRQS-ZDUSSCGKSA-N 0 0 389.880 1.918 10 0 GDAERN O=C([C@@H]1CNC(=O)C1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000151778658 531142930 /nfs/dbraw/zinc/14/29/30/531142930.db2.gz FDYFSKGNZMODFJ-LBPRGKRZSA-N 0 0 384.249 1.369 10 0 GDAERN Cn1cc(S(=O)(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)cc1C(N)=O ZINC000153025399 531161116 /nfs/dbraw/zinc/16/11/16/531161116.db2.gz MECPXOKZMMKMNY-ZDUSSCGKSA-N 0 0 383.857 1.619 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000154443180 531184456 /nfs/dbraw/zinc/18/44/56/531184456.db2.gz PGESYFWWZJDBTN-CQSZACIVSA-N 0 0 391.225 1.858 10 0 GDAERN C[C@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)c1nnc2n1CCCC2 ZINC000156157624 531204168 /nfs/dbraw/zinc/20/41/68/531204168.db2.gz SINWMEPKOXVGKR-VIFPVBQESA-N 0 0 395.261 1.958 10 0 GDAERN Cn1cc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc(Br)c1=O ZINC000156196420 531204445 /nfs/dbraw/zinc/20/44/45/531204445.db2.gz CNLMJQRRGGNEER-NSHDSACASA-N 0 0 381.234 1.608 10 0 GDAERN Cc1cccc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)c1Br ZINC000156244551 531204468 /nfs/dbraw/zinc/20/44/68/531204468.db2.gz MCUDTBHGSMINMC-ZDUSSCGKSA-N 0 0 389.315 1.899 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000156482259 531205045 /nfs/dbraw/zinc/20/50/45/531205045.db2.gz QMGSZAMTVXIZIF-ZDUSSCGKSA-N 0 0 397.273 1.099 10 0 GDAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000157206563 531206239 /nfs/dbraw/zinc/20/62/39/531206239.db2.gz MOEPCEBSOFXGFT-LSDHHAIUSA-N 0 0 379.258 1.573 10 0 GDAERN CS(=O)(=O)c1csc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000408059145 531215112 /nfs/dbraw/zinc/21/51/12/531215112.db2.gz PDCXVAXIIAIZGU-BXUZGUMPSA-N 0 0 382.507 1.767 10 0 GDAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC000408117768 531219956 /nfs/dbraw/zinc/21/99/56/531219956.db2.gz HLTUXYCSMGMONJ-YFKPBYRVSA-N 0 0 389.680 1.039 10 0 GDAERN O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCC[C@@](F)(CO)C1 ZINC000408119199 531220949 /nfs/dbraw/zinc/22/09/49/531220949.db2.gz DHKHIJSSCJIBNB-INIZCTEOSA-N 0 0 390.502 1.859 10 0 GDAERN CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1Br ZINC000408186363 531223601 /nfs/dbraw/zinc/22/36/01/531223601.db2.gz HPQKASAFIIEVIX-DMDPSCGWSA-N 0 0 388.283 1.696 10 0 GDAERN C[C@@H]1CN(C2CCN(S(=O)(=O)c3ccc(Br)o3)CC2)CCO1 ZINC000408216431 531226330 /nfs/dbraw/zinc/22/63/30/531226330.db2.gz VHRFTZAGVTYXIA-LLVKDONJSA-N 0 0 393.303 1.916 10 0 GDAERN CCC(CC)C(=O)N1CCC(NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408238784 531228667 /nfs/dbraw/zinc/22/86/67/531228667.db2.gz UALSELTUDNCMJG-KBPBESRZSA-N 0 0 375.535 1.357 10 0 GDAERN Cc1ccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)c(Br)c1 ZINC000408324824 531232372 /nfs/dbraw/zinc/23/23/72/531232372.db2.gz RNWSSGHFDGDRCK-UHFFFAOYSA-N 0 0 398.282 1.598 10 0 GDAERN O=C(Nc1cc(F)c(F)cc1I)N1CCO[C@@H](CO)C1 ZINC000408378259 531235850 /nfs/dbraw/zinc/23/58/50/531235850.db2.gz CNXLTIHNAXFSII-SSDOTTSWSA-N 0 0 398.147 1.794 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CC[S@](=O)CC[C@H]2C)c1 ZINC000408389173 531236661 /nfs/dbraw/zinc/23/66/61/531236661.db2.gz HYSFAVXJMLMKPL-VERVWZFWSA-N 0 0 393.552 1.239 10 0 GDAERN C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1N1CCOCC1 ZINC000266156686 531317338 /nfs/dbraw/zinc/31/73/38/531317338.db2.gz HXGAWVXEAJWZCK-PWSUYJOCSA-N 0 0 383.290 1.842 10 0 GDAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCO[C@@H](CO)C3)s2)CC1 ZINC000269078718 531606285 /nfs/dbraw/zinc/60/62/85/531606285.db2.gz CFRKJZMZIZPYPB-CYBMUJFWSA-N 0 0 388.511 1.002 10 0 GDAERN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000270604919 531901171 /nfs/dbraw/zinc/90/11/71/531901171.db2.gz GNBVLFJUWLNLCG-APPZFPTMSA-N 0 0 391.243 1.236 10 0 GDAERN C[C@H](N1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1)C(F)(F)F ZINC000368353825 531904504 /nfs/dbraw/zinc/90/45/04/531904504.db2.gz DHUMGXFISUJEHV-YNEHKIRRSA-N 0 0 385.452 1.620 10 0 GDAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000284871053 532000057 /nfs/dbraw/zinc/00/00/57/532000057.db2.gz FWVVTQCXSGGJHA-XCBNKYQSSA-N 0 0 383.214 1.483 10 0 GDAERN Cc1cc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)sc1C ZINC000271359573 532006101 /nfs/dbraw/zinc/00/61/01/532006101.db2.gz IZNSQQIMUNIAMN-UHFFFAOYSA-N 0 0 378.483 1.314 10 0 GDAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(I)cc2)C1 ZINC000285145727 532038186 /nfs/dbraw/zinc/03/81/86/532038186.db2.gz SKCFSXDZYXWGRW-WDEREUQCSA-N 0 0 397.234 1.062 10 0 GDAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1cc2c(cc1Cl)OCCO2 ZINC000328641845 532089241 /nfs/dbraw/zinc/08/92/41/532089241.db2.gz YCMVIEHWUCFKIN-LLVKDONJSA-N 0 0 383.857 1.849 10 0 GDAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000329179173 532097661 /nfs/dbraw/zinc/09/76/61/532097661.db2.gz CYBKBCJRQRDJIT-GWNIPJSYSA-N 0 0 384.420 1.272 10 0 GDAERN O=C([C@@H]1CSCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)N1CCSCC1 ZINC000333120442 532219905 /nfs/dbraw/zinc/21/99/05/532219905.db2.gz GLSMUFXWZHRXGV-RFGFWPKPSA-N 0 0 376.569 1.455 10 0 GDAERN O=C(Nc1nnc2ccc(Br)cn21)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000333187027 532224672 /nfs/dbraw/zinc/22/46/72/532224672.db2.gz NCYZVSXQTQPQAL-RYUDHWBXSA-N 0 0 396.245 1.904 10 0 GDAERN CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccc(N(C)C)cc2)n1 ZINC000005397779 291106688 /nfs/dbraw/zinc/10/66/88/291106688.db2.gz TUZZFEZAWSIKFM-INDMIFKZSA-N 0 0 383.452 1.292 10 0 biogenic GDAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000333975031 532259794 /nfs/dbraw/zinc/25/97/94/532259794.db2.gz YBSDUAJDXMEXKF-VNQPRFMTSA-N 0 0 381.270 1.747 10 0 GDAERN CCOC(=O)c1ccc(N(Cc2cnccn2)Cc2c[nH]c(=O)[nH]c2=O)cc1 ZINC000001686221 212144671 /nfs/dbraw/zinc/14/46/71/212144671.db2.gz NWEJXXCHPICZHK-UHFFFAOYSA-N 0 0 381.392 1.237 10 0 GDAERN C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn21 ZINC000334161195 212107288 /nfs/dbraw/zinc/10/72/88/212107288.db2.gz WGBPAMQEHQNSCP-HIFRSBDPSA-N 0 0 392.419 1.812 10 0 GDAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)CCOc2ccccc2)cn1 ZINC000328640573 212089735 /nfs/dbraw/zinc/08/97/35/212089735.db2.gz XMUCGCMBHPPVAQ-KRWDZBQOSA-N 0 0 377.466 1.670 10 0 GDAERN COc1ccc(CCC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 ZINC000328616873 212085078 /nfs/dbraw/zinc/08/50/78/212085078.db2.gz CEOGJTNQKVHJTL-QGZVFWFLSA-N 0 0 377.466 1.360 10 0 GDAERN COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCC[C@H]2CO)CC1 ZINC000012596992 221213336 /nfs/dbraw/zinc/21/33/36/221213336.db2.gz YKDDTSQPZNJAHJ-HNNXBMFYSA-N 0 0 376.453 1.300 10 0 GDAERN COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c1 ZINC000013131579 221261738 /nfs/dbraw/zinc/26/17/38/221261738.db2.gz URNHOWGTBDZMBN-AWEZNQCLSA-N 0 0 378.454 1.135 10 0 GDAERN COC1(O[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3[C@@H](O)[C@]3(C)OC(C)(C)O[C@H]23)CCOCC1 ZINC000015206107 221333779 /nfs/dbraw/zinc/33/37/79/221333779.db2.gz TZEREDFMAIELRX-PNGFLVGKSA-N 0 0 388.457 1.330 10 0 GDAERN C[C@H]1O[C@@H](Oc2c[nH]c3cc(Cl)c(Br)cc23)[C@H](O)[C@H](O)[C@H]1O ZINC000015206239 221334372 /nfs/dbraw/zinc/33/43/72/221334372.db2.gz OZAVURYDRCYQJF-CJRRTJEBSA-N 0 0 392.633 1.790 10 0 GDAERN NC(=O)C1CCN(C(=O)Cc2csc(NC(=O)NC3CCCC3)n2)CC1 ZINC000017149631 221379580 /nfs/dbraw/zinc/37/95/80/221379580.db2.gz SMRPICWEAIDXJK-UHFFFAOYSA-N 0 0 379.486 1.474 10 0 GDAERN NC(=O)C1CCN(C(=O)CCC(=O)N2CCOc3ccc(Cl)cc32)CC1 ZINC000006797477 136195207 /nfs/dbraw/zinc/19/52/07/136195207.db2.gz FWAXATHQWGOGIY-UHFFFAOYSA-N 0 0 379.844 1.570 10 0 GDAERN COc1cccc(CNC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)c1 ZINC000021871365 221544921 /nfs/dbraw/zinc/54/49/21/221544921.db2.gz DISNNLSJVAJXSG-UHFFFAOYSA-N 0 0 381.436 1.644 10 0 GDAERN C[C@H]1CCCN(C(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)C1 ZINC000065113969 222102704 /nfs/dbraw/zinc/10/27/04/222102704.db2.gz JQXAWGRSRCLBSD-LBPRGKRZSA-N 0 0 378.454 1.859 10 0 GDAERN C[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000077292534 222277608 /nfs/dbraw/zinc/27/76/08/222277608.db2.gz HSYKNUPTHBBLQY-GTNSWQLSSA-N 0 0 383.422 1.534 10 0 in-vitro GDAERN COc1ccc(CCn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC ZINC000073657972 523984945 /nfs/dbraw/zinc/98/49/45/523984945.db2.gz ISSLSJTURYVPPT-UHFFFAOYSA-N 0 0 386.404 1.967 10 0 GDAERN CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)Cc3ccccc3)O2)no1 ZINC000096296003 560060187 /nfs/dbraw/zinc/06/01/87/560060187.db2.gz VDYUKDNKPOBFMN-YSIASYRMSA-N 0 0 387.480 1.546 10 0 GDAERN Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000005068409 570410602 /nfs/dbraw/zinc/41/06/02/570410602.db2.gz ANKMXOBKPLPNSU-UHFFFAOYSA-N 0 0 394.478 1.595 10 0 GDAERN O=S(=O)(Cc1noc2ccccc21)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000275250856 570689125 /nfs/dbraw/zinc/68/91/25/570689125.db2.gz GRAMDQFUZVKSKP-KRWDZBQOSA-N 0 0 390.421 1.512 10 0 GDAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)C2)n1 ZINC000275258114 570689233 /nfs/dbraw/zinc/68/92/33/570689233.db2.gz HNMUOKBHYMEOSR-ABKXIKBNSA-N 0 0 399.856 1.637 10 0 GDAERN Cc1nc2ncnn2c(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccccc1 ZINC000006232729 570902900 /nfs/dbraw/zinc/90/29/00/570902900.db2.gz VGZCINXVVVYXBA-UHFFFAOYSA-N 0 0 386.481 1.105 10 0 GDAERN C[C@H](OC(=O)CN(C)S(C)(=O)=O)c1ccc(I)cc1 ZINC000066232439 644541300 /nfs/dbraw/zinc/54/13/00/644541300.db2.gz NRTNDNQEHPBHQI-VIFPVBQESA-N 0 0 397.234 1.787 10 0 GDAERN C[C@H](NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000115816700 644643752 /nfs/dbraw/zinc/64/37/52/644643752.db2.gz NJVGIKPLYWUOKF-KWQFWETISA-N 0 0 377.260 1.394 10 0 GDAERN S=c1sc(N2CCOCC2)nn1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152801614 644790593 /nfs/dbraw/zinc/79/05/93/644790593.db2.gz PWELMTQDBZNFIG-CYBMUJFWSA-N 0 0 382.515 1.066 10 0 GDAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)c1nccs1 ZINC000172290969 644882930 /nfs/dbraw/zinc/88/29/30/644882930.db2.gz XGIBRLFNLUXSIT-ZDUSSCGKSA-N 0 0 378.479 1.869 10 0 GDAERN Cc1cc(C(=O)NCCNC(=O)c2cc3oc(Br)cc3[nH]2)nn1C ZINC000223956810 645074840 /nfs/dbraw/zinc/07/48/40/645074840.db2.gz CYUKWFRKLKQIHH-UHFFFAOYSA-N 0 0 394.229 1.725 10 0 GDAERN O=S(=O)(/C=C\c1ccccc1)NCCS(=O)(=O)NCc1ccccc1 ZINC000255418436 645109746 /nfs/dbraw/zinc/10/97/46/645109746.db2.gz XQQJWCYHIABVNH-QBFSEMIESA-N 0 0 380.491 1.696 10 0 GDAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000312703447 645242361 /nfs/dbraw/zinc/24/23/61/645242361.db2.gz OCEGPAWJGPLCJF-IUCAKERBSA-N 0 0 385.667 1.268 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccoc2Br)C1 ZINC000702814782 654832947 /nfs/dbraw/zinc/83/29/47/654832947.db2.gz LSZKVMNCKRZEQA-KOLCDFICSA-N 0 0 389.246 2.000 10 0 GDAERN Cc1ncc(CN([C@@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)s1 ZINC000886044689 657591897 /nfs/dbraw/zinc/59/18/97/657591897.db2.gz VVAWDTFNYTWQTG-CYBMUJFWSA-N 0 0 383.499 1.142 10 0 GDAERN O=C([O-])c1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000705793651 977293478 /nfs/dbraw/zinc/29/34/78/977293478.db2.gz KSPCXQLKRHVUSK-KRWDZBQOSA-N 0 0 396.490 1.362 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000708518142 977431241 /nfs/dbraw/zinc/43/12/41/977431241.db2.gz WJMZGEBDPIPPIA-JSGCOSHPSA-N 0 0 378.454 1.154 10 0 GDAERN Cc1[nH]cc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c(=O)c1Br ZINC000158423619 530532449 /nfs/dbraw/zinc/53/24/49/530532449.db2.gz AVPPWFYSTLPBSL-UHFFFAOYSA-N 0 0 382.258 1.943 10 0 GDAERN O=S(=O)(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)nc1 ZINC000158895882 530537111 /nfs/dbraw/zinc/53/71/11/530537111.db2.gz XPXXGOXEYSYDCT-HNNXBMFYSA-N 0 0 381.885 1.433 10 0 GDAERN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc32)n1 ZINC000004921774 530537653 /nfs/dbraw/zinc/53/76/53/530537653.db2.gz DIZTYJBMUPVBSM-UHFFFAOYSA-N 0 0 377.451 1.654 10 0 GDAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000162746286 530571113 /nfs/dbraw/zinc/57/11/13/530571113.db2.gz PEQJULGQOXJVMJ-GFCCVEGCSA-N 0 0 381.226 1.502 10 0 GDAERN Cc1[nH]c(=O)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1Br ZINC000163181685 530574218 /nfs/dbraw/zinc/57/42/18/530574218.db2.gz ZLWBFTSXIXHNIH-HZMBPMFUSA-N 0 0 384.274 1.651 10 0 GDAERN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000170812518 530589805 /nfs/dbraw/zinc/58/98/05/530589805.db2.gz IOZMYLYELRXLEQ-CQSZACIVSA-N 0 0 389.315 1.853 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C1 ZINC000031637557 530603221 /nfs/dbraw/zinc/60/32/21/530603221.db2.gz BABLZEAEQGNGPJ-SECBINFHSA-N 0 0 383.235 1.427 10 0 GDAERN O=C(NCc1ccc(Cl)s1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172447240 530613367 /nfs/dbraw/zinc/61/33/67/530613367.db2.gz PVUVDEPKWNWHGC-UHFFFAOYSA-N 0 0 377.861 1.871 10 0 GDAERN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000036191046 530613747 /nfs/dbraw/zinc/61/37/47/530613747.db2.gz XUAZBJMHKQWLLE-LBPRGKRZSA-N 0 0 378.516 1.107 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CCO2)[nH]1 ZINC000173088859 530623019 /nfs/dbraw/zinc/62/30/19/530623019.db2.gz YSELNDKHYDJJOI-LBPRGKRZSA-N 0 0 391.229 1.966 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)[C@H](C)CO1 ZINC000173155835 530624698 /nfs/dbraw/zinc/62/46/98/530624698.db2.gz HXBUFIOJTXMLOP-JMSVASOKSA-N 0 0 377.457 1.511 10 0 GDAERN CC[C@H](O)CN1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000173455529 530630675 /nfs/dbraw/zinc/63/06/75/530630675.db2.gz CEZDEYXDJZZXFT-WFASDCNBSA-N 0 0 388.281 1.503 10 0 GDAERN O=C(NCCOc1cccc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173782359 530636962 /nfs/dbraw/zinc/63/69/62/530636962.db2.gz BIJAYNDWJPHAQQ-OAHLLOKOSA-N 0 0 398.301 1.944 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H]1N1CCOCC1 ZINC000173821424 530637824 /nfs/dbraw/zinc/63/78/24/530637824.db2.gz YQCPMDQFCALXAQ-WFASDCNBSA-N 0 0 397.317 1.703 10 0 GDAERN COc1ccc(Br)cc1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749135 530617905 /nfs/dbraw/zinc/61/79/05/530617905.db2.gz UYPCXXYLAUCLLQ-HNNXBMFYSA-N 0 0 383.286 1.933 10 0 GDAERN CCc1nc(CN2CCN(S(=O)(=O)N3C[C@H](C)OC[C@@H]3C)CC2)cs1 ZINC000173062947 530622326 /nfs/dbraw/zinc/62/23/26/530622326.db2.gz CBDUXIIFBPCIQU-KBPBESRZSA-N 0 0 388.559 1.177 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000176285282 530681099 /nfs/dbraw/zinc/68/10/99/530681099.db2.gz AFOBMWSJDOMZKI-CYBMUJFWSA-N 0 0 392.257 1.730 10 0 GDAERN C[C@H](N1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1)C(F)(F)F ZINC000176322157 530681814 /nfs/dbraw/zinc/68/18/14/530681814.db2.gz FOPKQIOWDPPCKT-HIFPTAJRSA-N 0 0 385.452 1.620 10 0 GDAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000175560146 530666796 /nfs/dbraw/zinc/66/67/96/530666796.db2.gz YXFDEQRRJRIDEQ-CYBMUJFWSA-N 0 0 381.274 1.361 10 0 GDAERN Cc1c(C(=O)N2[C@@H](C)COC[C@@H]2C)cc(Br)cc1S(N)(=O)=O ZINC000176421237 530683458 /nfs/dbraw/zinc/68/34/58/530683458.db2.gz CAKYYXBUDDIUNC-IUCAKERBSA-N 0 0 391.287 1.654 10 0 GDAERN O=C(Nc1ccc(I)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177194512 530698592 /nfs/dbraw/zinc/69/85/92/530698592.db2.gz ACFXIZUGBMFBQQ-NEPJUHHUSA-N 0 0 388.205 1.649 10 0 GDAERN CCn1ccnc1C[S@](=O)c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000177292976 530700077 /nfs/dbraw/zinc/70/00/77/530700077.db2.gz GYFPWOPRSMWTCH-DEOSSOPVSA-N 0 0 382.511 1.780 10 0 GDAERN O=S(=O)(/C=C/c1ccc(F)cc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178456945 530720846 /nfs/dbraw/zinc/72/08/46/530720846.db2.gz DIOXAYZEOLFTJM-RCLKMUNOSA-N 0 0 388.486 1.626 10 0 GDAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCn2ncnc21 ZINC000177343519 530701222 /nfs/dbraw/zinc/70/12/22/530701222.db2.gz HOTXPFXLOREIGJ-ZDUSSCGKSA-N 0 0 383.861 1.540 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000177638911 530707464 /nfs/dbraw/zinc/70/74/64/530707464.db2.gz JPJKDONSHGYCHP-GFCCVEGCSA-N 0 0 392.257 1.673 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178331677 530719706 /nfs/dbraw/zinc/71/97/06/530719706.db2.gz NKMJZISAPWUBPO-XHDPSFHLSA-N 0 0 379.210 1.546 10 0 GDAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(Cn2cc(Br)cn2)on1 ZINC000179235586 530737081 /nfs/dbraw/zinc/73/70/81/530737081.db2.gz SOCIOOWHLQMEMT-MFKMUULPSA-N 0 0 383.246 1.963 10 0 GDAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(Cn2cc(Br)cn2)on1 ZINC000179235598 530737182 /nfs/dbraw/zinc/73/71/82/530737182.db2.gz SOCIOOWHLQMEMT-GXFFZTMASA-N 0 0 383.246 1.963 10 0 GDAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)CCO2)[nH]1 ZINC000179378844 530739345 /nfs/dbraw/zinc/73/93/45/530739345.db2.gz ZLZZUCDVUFCDQT-SNVBAGLBSA-N 0 0 382.833 1.405 10 0 GDAERN O=C(NC[C@@H]1CN2CCN1CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000178728582 530727031 /nfs/dbraw/zinc/72/70/31/530727031.db2.gz QBCAVXONWLOOKF-CYBMUJFWSA-N 0 0 390.285 1.569 10 0 GDAERN CCc1nnc(CS(=O)(=O)CCC(=O)NCc2ccccc2Cl)n1C ZINC000180087113 530757958 /nfs/dbraw/zinc/75/79/58/530757958.db2.gz BGYNCWULMJKVKL-UHFFFAOYSA-N 0 0 384.889 1.652 10 0 GDAERN Cc1nc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)sc1Br ZINC000180088961 530758020 /nfs/dbraw/zinc/75/80/20/530758020.db2.gz PEBXFMIQTDIJKT-JTQLQIEISA-N 0 0 396.332 1.309 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000180204987 530760034 /nfs/dbraw/zinc/76/00/34/530760034.db2.gz VREQNLXUPVAEFZ-JTQLQIEISA-N 0 0 381.148 1.794 10 0 GDAERN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000180199041 530760040 /nfs/dbraw/zinc/76/00/40/530760040.db2.gz MGYVNUKHAIJHBH-AWEZNQCLSA-N 0 0 393.241 1.270 10 0 GDAERN O=C(c1ncccc1C(F)(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000180259994 530761840 /nfs/dbraw/zinc/76/18/40/530761840.db2.gz HWMWCRPNEAUDHP-LLVKDONJSA-N 0 0 377.388 1.741 10 0 GDAERN NC(=O)[C@@H]1COCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000180268140 530762068 /nfs/dbraw/zinc/76/20/68/530762068.db2.gz CUNMNUIHYCBAKS-JTQLQIEISA-N 0 0 380.754 1.269 10 0 GDAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnn2cc(Br)cnc12 ZINC000179763176 530749013 /nfs/dbraw/zinc/74/90/13/530749013.db2.gz SCGWFBPYKPWRBU-LLVKDONJSA-N 0 0 376.218 1.657 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1Cn1ccnc1 ZINC000179746806 530749252 /nfs/dbraw/zinc/74/92/52/530749252.db2.gz XHTZMDKXOXPYQC-GFCCVEGCSA-N 0 0 375.230 1.993 10 0 GDAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)nn1-c1ccc(Cl)cc1Cl ZINC000181352051 530782418 /nfs/dbraw/zinc/78/24/18/530782418.db2.gz MBXBDEVTXKTLRS-AWEZNQCLSA-N 0 0 383.235 1.814 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2nn(CC(C)C)cc2C(F)F)C1 ZINC000181477886 530784394 /nfs/dbraw/zinc/78/43/94/530784394.db2.gz GYTTYNWODRWBQS-LLVKDONJSA-N 0 0 378.445 1.631 10 0 GDAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2c(Cl)nc3ccccn32)cn1 ZINC000181702491 530789217 /nfs/dbraw/zinc/78/92/17/530789217.db2.gz SSHROXGRCQDDAN-LBPRGKRZSA-N 0 0 380.861 1.056 10 0 GDAERN Brc1ccccc1-n1nnnc1CN1CCC(n2cncn2)CC1 ZINC000068970397 530794205 /nfs/dbraw/zinc/79/42/05/530794205.db2.gz LWKQTTYDONLAJS-UHFFFAOYSA-N 0 0 389.261 1.853 10 0 GDAERN O=S(=O)(c1cnn(CC(F)(F)F)c1)N1CCC(Cn2cccn2)CC1 ZINC000184810065 530832254 /nfs/dbraw/zinc/83/22/54/530832254.db2.gz AUKCPKTUJACMKS-UHFFFAOYSA-N 0 0 377.392 1.743 10 0 GDAERN COc1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)nc1Br ZINC000183108585 530809537 /nfs/dbraw/zinc/80/95/37/530809537.db2.gz ORKROLLDELFLJU-GFCCVEGCSA-N 0 0 395.257 1.899 10 0 GDAERN COc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nc1Br ZINC000183208415 530811459 /nfs/dbraw/zinc/81/14/59/530811459.db2.gz HSLYAIMOQDXTAS-YPMHNXCESA-N 0 0 384.274 1.645 10 0 GDAERN Cc1[nH]cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(=O)c1Br ZINC000183210358 530811753 /nfs/dbraw/zinc/81/17/53/530811753.db2.gz QHIXRDKPMMSRMV-LLVKDONJSA-N 0 0 394.229 1.127 10 0 GDAERN O=C(c1cnn2cc(Br)cnc12)N1CCC(n2cncn2)CC1 ZINC000094072492 530815635 /nfs/dbraw/zinc/81/56/35/530815635.db2.gz GIXBLWCEAWVGJO-UHFFFAOYSA-N 0 0 376.218 1.561 10 0 GDAERN Cc1csc([C@H](C)CNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000183943844 530822376 /nfs/dbraw/zinc/82/23/76/530822376.db2.gz TVPCYNSFAYTKSG-OCCSQVGLSA-N 0 0 386.543 1.765 10 0 GDAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1ccc(Br)cn1 ZINC000106173727 530846850 /nfs/dbraw/zinc/84/68/50/530846850.db2.gz TYNCUUQQYNTHKQ-LBPRGKRZSA-N 0 0 379.262 1.786 10 0 GDAERN CC(C)n1nnnc1CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000107078751 530852369 /nfs/dbraw/zinc/85/23/69/530852369.db2.gz XYRWDFFWNHDUHH-UHFFFAOYSA-N 0 0 378.487 1.742 10 0 GDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CC(NC(=O)C4CCC4)C3)cc(Cl)c2O1 ZINC000186177421 530852702 /nfs/dbraw/zinc/85/27/02/530852702.db2.gz ZGEKMFIOMZWDNX-JTQLQIEISA-N 0 0 384.885 1.953 10 0 GDAERN C[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)[C@@H]1CCCO1 ZINC000186583053 530858410 /nfs/dbraw/zinc/85/84/10/530858410.db2.gz MSBJJGUPFQXDDH-ZJUUUORDSA-N 0 0 379.408 1.956 10 0 GDAERN O=C(Cc1csc(N2CCCC2=O)n1)N1CCO[C@H](c2nccs2)C1 ZINC000110874515 530870751 /nfs/dbraw/zinc/87/07/51/530870751.db2.gz VYYAHHJETJTGMF-LBPRGKRZSA-N 0 0 378.479 1.869 10 0 GDAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)n1 ZINC000111344651 530873827 /nfs/dbraw/zinc/87/38/27/530873827.db2.gz MBEVARDQQSLQAW-SNVBAGLBSA-N 0 0 388.881 1.141 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000185244178 530838356 /nfs/dbraw/zinc/83/83/56/530838356.db2.gz HMKDPQJDNOVQOU-UHFFFAOYSA-N 0 0 393.241 1.222 10 0 GDAERN COCC(=O)NC1CN(C(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000185228036 530838386 /nfs/dbraw/zinc/83/83/86/530838386.db2.gz XTROIHAEAYRADT-JTQLQIEISA-N 0 0 387.299 1.903 10 0 GDAERN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCNC(=O)CC1 ZINC000105187728 530841469 /nfs/dbraw/zinc/84/14/69/530841469.db2.gz XTHWCGKEPVTDEZ-ZDUSSCGKSA-N 0 0 395.301 1.807 10 0 GDAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000188955932 530904507 /nfs/dbraw/zinc/90/45/07/530904507.db2.gz DDSIOSNRYRVIGA-SNVBAGLBSA-N 0 0 383.242 1.500 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3cccc(Br)c3)C2)cn1 ZINC000116466542 530905259 /nfs/dbraw/zinc/90/52/59/530905259.db2.gz WBIJKWBRUYNREA-ZDUSSCGKSA-N 0 0 391.269 1.929 10 0 GDAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc(I)ccc1O ZINC000189104706 530908027 /nfs/dbraw/zinc/90/80/27/530908027.db2.gz DSYFUNZDISPGAJ-SNVBAGLBSA-N 0 0 384.177 1.853 10 0 GDAERN Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2c(Cl)nc3ccccn32)cn1 ZINC000189197622 530909701 /nfs/dbraw/zinc/90/97/01/530909701.db2.gz MIMLLIFIBIWNLT-WCQYABFASA-N 0 0 381.845 1.530 10 0 GDAERN Cc1sc(=O)n(CC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1C ZINC000112307272 530880400 /nfs/dbraw/zinc/88/04/00/530880400.db2.gz ZWOTXJQSTQTVTF-UHFFFAOYSA-N 0 0 379.507 1.963 10 0 GDAERN COc1ccc(Br)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187929289 530880615 /nfs/dbraw/zinc/88/06/15/530880615.db2.gz LFMJNQMSFISNAF-UHFFFAOYSA-N 0 0 389.271 1.357 10 0 GDAERN C[C@@H]1CN(C(=O)NCc2c(F)cc(Br)cc2F)C[C@H](C(N)=O)O1 ZINC000187919210 530880814 /nfs/dbraw/zinc/88/08/14/530880814.db2.gz MKVSNBRGKMVMMO-JMCQJSRRSA-N 0 0 392.200 1.512 10 0 GDAERN NC(=O)[C@@H]1CCCN(C(=O)CNc2cc(Br)c(F)cc2F)C1 ZINC000187971497 530881983 /nfs/dbraw/zinc/88/19/83/530881983.db2.gz HESKAQCFKHFEBM-MRVPVSSYSA-N 0 0 376.201 1.863 10 0 GDAERN COc1cc(C(=O)N[C@H]2CCc3ncnn3C2)cc(OC)c1Br ZINC000112660927 530883101 /nfs/dbraw/zinc/88/31/01/530883101.db2.gz KDOZMLFNHLBNLI-JTQLQIEISA-N 0 0 381.230 1.803 10 0 GDAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000188099720 530884956 /nfs/dbraw/zinc/88/49/56/530884956.db2.gz IEBTVYWDYLGPMF-SECBINFHSA-N 0 0 386.221 1.572 10 0 GDAERN O=C(Cc1cc2c(cc1Br)OCCO2)N1CC(NC(=O)C2CC2)C1 ZINC000188201049 530888445 /nfs/dbraw/zinc/88/84/45/530888445.db2.gz MNRHIRWHQDNLEE-UHFFFAOYSA-N 0 0 395.253 1.500 10 0 GDAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1Cl ZINC000113298920 530889091 /nfs/dbraw/zinc/88/90/91/530889091.db2.gz IURCOKMFRJKBNL-VIFPVBQESA-N 0 0 391.678 1.987 10 0 GDAERN Cc1cc(N2CCN(C(=O)Nc3cc(Br)c(=O)n(C)c3)CC2)n[nH]1 ZINC000188441096 530894006 /nfs/dbraw/zinc/89/40/06/530894006.db2.gz BIYMEPQCAVCRIU-UHFFFAOYSA-N 0 0 395.261 1.533 10 0 GDAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1cccc(I)c1 ZINC000114855528 530896936 /nfs/dbraw/zinc/89/69/36/530896936.db2.gz VYFPTKQWZNUBOF-AWEZNQCLSA-N 0 0 386.233 1.884 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000117522290 530913059 /nfs/dbraw/zinc/91/30/59/530913059.db2.gz ZQJLYNQZRMYXKK-GFCCVEGCSA-N 0 0 384.274 1.567 10 0 GDAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000189454642 530913884 /nfs/dbraw/zinc/91/38/84/530913884.db2.gz JQBHKTKTCVBQCD-AWEZNQCLSA-N 0 0 398.301 1.611 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000189452183 530914148 /nfs/dbraw/zinc/91/41/48/530914148.db2.gz COJKKHCSTXZSLZ-GFCCVEGCSA-N 0 0 384.274 1.303 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000189479359 530914203 /nfs/dbraw/zinc/91/42/03/530914203.db2.gz DSELFJFOQMPTJX-CYBMUJFWSA-N 0 0 399.289 1.006 10 0 GDAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2cccc(Br)c2)c1 ZINC000118068623 530916229 /nfs/dbraw/zinc/91/62/29/530916229.db2.gz PQYUFYZPZMTSAE-UHFFFAOYSA-N 0 0 394.273 1.683 10 0 GDAERN COc1ccc(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)nc1Br ZINC000189801362 530921310 /nfs/dbraw/zinc/92/13/10/530921310.db2.gz PJRWDMQTTSNWRD-UHFFFAOYSA-N 0 0 380.246 1.847 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190822326 530937896 /nfs/dbraw/zinc/93/78/96/530937896.db2.gz VWPBWKOHLUNWPD-LLVKDONJSA-N 0 0 392.258 1.986 10 0 GDAERN O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000120458684 530940968 /nfs/dbraw/zinc/94/09/68/530940968.db2.gz FANGMDVGHKKXCL-SNVBAGLBSA-N 0 0 382.193 1.770 10 0 GDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc(I)c1 ZINC000190991848 530941100 /nfs/dbraw/zinc/94/11/00/530941100.db2.gz WCTZBKFFWOIXNO-SECBINFHSA-N 0 0 394.234 1.190 10 0 GDAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000120458859 530941162 /nfs/dbraw/zinc/94/11/62/530941162.db2.gz JSHSJVKZZANPOL-KGLIPLIRSA-N 0 0 386.901 1.991 10 0 GDAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CCc1nccs1 ZINC000120481903 530941251 /nfs/dbraw/zinc/94/12/51/530941251.db2.gz PJXQJQMYKCTKQJ-LLVKDONJSA-N 0 0 378.479 1.271 10 0 GDAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000190988280 530941304 /nfs/dbraw/zinc/94/13/04/530941304.db2.gz IMDFHEDURBTVSP-SSDOTTSWSA-N 0 0 383.214 1.626 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(Br)ccc1F ZINC000120557255 530942391 /nfs/dbraw/zinc/94/23/91/530942391.db2.gz OLPWNGNRXUVRSH-LLVKDONJSA-N 0 0 376.226 1.403 10 0 GDAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191042463 530942612 /nfs/dbraw/zinc/94/26/12/530942612.db2.gz PZUKJAUVAPSXST-UHFFFAOYSA-N 0 0 386.221 1.526 10 0 GDAERN CN1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1=O ZINC000191038438 530942684 /nfs/dbraw/zinc/94/26/84/530942684.db2.gz CXMDRTQKDRCLPQ-UHFFFAOYSA-N 0 0 377.750 1.988 10 0 GDAERN CN1CCCN(CC(=O)Nc2cccc(I)c2)CC1=O ZINC000191124641 530943666 /nfs/dbraw/zinc/94/36/66/530943666.db2.gz CWMVELMZUCMTSK-UHFFFAOYSA-N 0 0 387.221 1.394 10 0 GDAERN O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000121008308 530949068 /nfs/dbraw/zinc/94/90/68/530949068.db2.gz GDYOKYJVMRRTJZ-HNNXBMFYSA-N 0 0 389.315 1.685 10 0 GDAERN Cc1noc([C@H]2COCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)n1 ZINC000121180995 530951069 /nfs/dbraw/zinc/95/10/69/530951069.db2.gz KXQBZZHPJXZUKL-SNVBAGLBSA-N 0 0 383.202 1.763 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000192935093 530976737 /nfs/dbraw/zinc/97/67/37/530976737.db2.gz GMABFIVMIRLNIC-SECBINFHSA-N 0 0 381.307 1.697 10 0 GDAERN CC(C)c1nnc(CS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)n1C ZINC000193013886 530977765 /nfs/dbraw/zinc/97/77/65/530977765.db2.gz QCVLOVFKJJOZPE-UHFFFAOYSA-N 0 0 389.474 1.466 10 0 GDAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000193162338 530981011 /nfs/dbraw/zinc/98/10/11/530981011.db2.gz YGRGDUPNZYRIFQ-NSHDSACASA-N 0 0 386.221 1.572 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000193842546 530994698 /nfs/dbraw/zinc/99/46/98/530994698.db2.gz RCFPFUJJEZEAHZ-UKRRQHHQSA-N 0 0 380.242 1.528 10 0 GDAERN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000123681823 530986471 /nfs/dbraw/zinc/98/64/71/530986471.db2.gz BWUPFKMQMDSHFC-NEPJUHHUSA-N 0 0 377.268 1.570 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000193576481 530989806 /nfs/dbraw/zinc/98/98/06/530989806.db2.gz WNTJJYZNVBOYOV-MEDUHNTESA-N 0 0 382.258 1.936 10 0 GDAERN CN1CCO[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000194612332 531007298 /nfs/dbraw/zinc/00/72/98/531007298.db2.gz XAZFTZWOZKXUGH-GFCCVEGCSA-N 0 0 385.258 1.210 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000125973466 531013696 /nfs/dbraw/zinc/01/36/96/531013696.db2.gz FEOMWBHFVGHWJS-VIFPVBQESA-N 0 0 396.245 1.577 10 0 GDAERN CS(=O)(=O)c1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1Br ZINC000195028052 531014381 /nfs/dbraw/zinc/01/43/81/531014381.db2.gz AXTWOEVJRAASRJ-GFCCVEGCSA-N 0 0 387.299 1.773 10 0 GDAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000126353044 531017529 /nfs/dbraw/zinc/01/75/29/531017529.db2.gz JSMYDQIRQMSWSL-VHSXEESVSA-N 0 0 388.852 1.757 10 0 GDAERN C[C@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000195502256 531025711 /nfs/dbraw/zinc/02/57/11/531025711.db2.gz XHESOGFWJYFWQW-NSHDSACASA-N 0 0 392.884 1.156 10 0 GDAERN O=C(c1ccc(I)c(Cl)c1)N1CCO[C@H](CO)C1 ZINC000225972125 531031428 /nfs/dbraw/zinc/03/14/28/531031428.db2.gz VBEVQPUUQWJUNO-VIFPVBQESA-N 0 0 381.597 1.778 10 0 GDAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000127642051 531032192 /nfs/dbraw/zinc/03/21/92/531032192.db2.gz RNONTUJTCJUCJX-RYUDHWBXSA-N 0 0 387.893 1.250 10 0 GDAERN Cn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(Br)c1=O ZINC000245944965 531061675 /nfs/dbraw/zinc/06/16/75/531061675.db2.gz BHFYRQJSCJXBGX-MVWJERBFSA-N 0 0 398.257 1.016 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)C[C@@H](C(N)=O)O1 ZINC000131026603 531066790 /nfs/dbraw/zinc/06/67/90/531066790.db2.gz PSHKBHJEUGHEMD-ZWXQHPBJSA-N 0 0 389.271 1.324 10 0 GDAERN COc1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)ccc1Br ZINC000128834601 531044916 /nfs/dbraw/zinc/04/49/16/531044916.db2.gz HXINOBWNJDVDEE-GXTWGEPZSA-N 0 0 391.287 1.161 10 0 GDAERN Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000245422348 531057001 /nfs/dbraw/zinc/05/70/01/531057001.db2.gz PMNDEZZYGISWMI-GHMZBOCLSA-N 0 0 396.328 1.954 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245777125 531061028 /nfs/dbraw/zinc/06/10/28/531061028.db2.gz ZHZJMQMHHXBZLB-YNEHKIRRSA-N 0 0 380.242 1.856 10 0 GDAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CCN1C[C@H](C)O ZINC000247225912 531073870 /nfs/dbraw/zinc/07/38/70/531073870.db2.gz YVJYSHRKKVHYQB-SWLSCSKDSA-N 0 0 398.301 1.691 10 0 GDAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)c(C)[nH]c1=O ZINC000132022752 531076886 /nfs/dbraw/zinc/07/68/86/531076886.db2.gz GLXRITCVZDCAIN-LLVKDONJSA-N 0 0 396.245 1.861 10 0 GDAERN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC(O)CC1 ZINC000247959126 531077347 /nfs/dbraw/zinc/07/73/47/531077347.db2.gz PFIXGWYIBJVKNL-CYBMUJFWSA-N 0 0 386.901 1.724 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1N1CCOCC1 ZINC000248412532 531078092 /nfs/dbraw/zinc/07/80/92/531078092.db2.gz FLHXTIAAWDBNTP-WCQYABFASA-N 0 0 379.404 1.442 10 0 GDAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000248509397 531079366 /nfs/dbraw/zinc/07/93/66/531079366.db2.gz YWWJPMDGWLPFOD-VILLYWCTSA-N 0 0 379.507 1.566 10 0 GDAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COc2cccc(Br)c2)n1 ZINC000249278891 531085242 /nfs/dbraw/zinc/08/52/42/531085242.db2.gz FMTBUBOMFGRREK-HIFRSBDPSA-N 0 0 398.257 1.954 10 0 GDAERN O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H](O)CN1CCOCC1 ZINC000132912666 531085456 /nfs/dbraw/zinc/08/54/56/531085456.db2.gz KJXQBMMEDVCGCE-CQSZACIVSA-N 0 0 396.285 1.282 10 0 GDAERN Cn1ncc(N2CCN(C[C@H](O)c3ccccc3)CC2)c(Br)c1=O ZINC000261428252 531092662 /nfs/dbraw/zinc/09/26/62/531092662.db2.gz CDEVWABWBKIVKE-HNNXBMFYSA-N 0 0 393.285 1.398 10 0 GDAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000246695983 531069105 /nfs/dbraw/zinc/06/91/05/531069105.db2.gz ZCDQTURSLKZNBZ-UKRRQHHQSA-N 0 0 388.555 1.668 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)[C@@H](C)CO1 ZINC000246705666 531069366 /nfs/dbraw/zinc/06/93/66/531069366.db2.gz ZOJDEUONFCQNKQ-ZENOOKHLSA-N 0 0 375.922 1.886 10 0 GDAERN CC(=O)NC[C@H]1CN(C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000246785737 531069372 /nfs/dbraw/zinc/06/93/72/531069372.db2.gz WZMZZZWQKLMURB-ZBFHGGJFSA-N 0 0 387.274 1.026 10 0 GDAERN O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@H](N2CCOCC2)C1 ZINC000136088235 531113516 /nfs/dbraw/zinc/11/35/16/531113516.db2.gz PPLKLIJCOFUHJY-DZGCQCFKSA-N 0 0 381.270 1.858 10 0 GDAERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000151201276 531135163 /nfs/dbraw/zinc/13/51/63/531135163.db2.gz SXSNTHOQJFDSSD-JSGCOSHPSA-N 0 0 394.273 1.838 10 0 GDAERN C[C@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000263928197 531160936 /nfs/dbraw/zinc/16/09/36/531160936.db2.gz IMYCZYQTDDBKAH-JQWIXIFHSA-N 0 0 381.483 1.837 10 0 GDAERN COc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1I ZINC000154558101 531186212 /nfs/dbraw/zinc/18/62/12/531186212.db2.gz UEVXSPGBJAXYPY-SNVBAGLBSA-N 0 0 398.204 1.636 10 0 GDAERN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC(n2cncn2)CC1 ZINC000157275463 531206341 /nfs/dbraw/zinc/20/63/41/531206341.db2.gz GCVSJHMHCKASNE-UHFFFAOYSA-N 0 0 382.314 1.999 10 0 GDAERN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c(F)c1 ZINC000408025366 531211776 /nfs/dbraw/zinc/21/17/76/531211776.db2.gz QRPZXVXITTUNFH-KGLIPLIRSA-N 0 0 392.474 1.529 10 0 GDAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Br)o2)n1 ZINC000408028938 531213099 /nfs/dbraw/zinc/21/30/99/531213099.db2.gz RKVKZTMNBHOXEK-QMMMGPOBSA-N 0 0 378.204 1.496 10 0 GDAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408030982 531213320 /nfs/dbraw/zinc/21/33/20/531213320.db2.gz JURFJEKHNIDMKF-KRWDZBQOSA-N 0 0 386.901 1.786 10 0 GDAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3ccc(Br)cc3C2)C1 ZINC000408061551 531215298 /nfs/dbraw/zinc/21/52/98/531215298.db2.gz WONQRUNFCNTKRH-KRWDZBQOSA-N 0 0 381.270 1.707 10 0 GDAERN COC1(C)CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000408101037 531218337 /nfs/dbraw/zinc/21/83/37/531218337.db2.gz GJMIUMLHPOCETH-UHFFFAOYSA-N 0 0 388.511 1.410 10 0 GDAERN C[C@H](c1ncc(Br)cn1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408124724 531221347 /nfs/dbraw/zinc/22/13/47/531221347.db2.gz SFZPURWPYWDJIY-MLGOLLRUSA-N 0 0 383.290 1.749 10 0 GDAERN O=S1CCC(NS(=O)(=O)c2ccc(I)cc2)CC1 ZINC000408209408 531225478 /nfs/dbraw/zinc/22/54/78/531225478.db2.gz SCQYQMGRSLLGQE-UHFFFAOYSA-N 0 0 399.275 1.481 10 0 GDAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000408242813 531228102 /nfs/dbraw/zinc/22/81/02/531228102.db2.gz YLIDIGGETCXJSD-IRXDYDNUSA-N 0 0 386.539 1.704 10 0 GDAERN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000408321523 531232631 /nfs/dbraw/zinc/23/26/31/531232631.db2.gz PPTSYHSFPIQFLC-AWEZNQCLSA-N 0 0 376.500 1.418 10 0 GDAERN COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1Cl ZINC000408398219 531238456 /nfs/dbraw/zinc/23/84/56/531238456.db2.gz XQBQJDVBXHLUHG-HIFRSBDPSA-N 0 0 388.917 1.998 10 0 GDAERN CC(C)C[C@@H]1COCCN1C(=O)NC1CCN(S(=O)(=O)C(C)C)CC1 ZINC000408439048 531241916 /nfs/dbraw/zinc/24/19/16/531241916.db2.gz NEUWZWMCFAACCZ-MRXNPFEDSA-N 0 0 375.535 1.646 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000408447557 531242181 /nfs/dbraw/zinc/24/21/81/531242181.db2.gz YJHSBNDFCYIASW-NVXWUHKLSA-N 0 0 375.535 1.429 10 0 GDAERN CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000408447556 531242311 /nfs/dbraw/zinc/24/23/11/531242311.db2.gz YJHSBNDFCYIASW-DOTOQJQBSA-N 0 0 375.535 1.429 10 0 GDAERN Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000416471982 531632637 /nfs/dbraw/zinc/63/26/37/531632637.db2.gz MCPKSRODIVIZSY-NSHDSACASA-N 0 0 383.861 1.365 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c(C)cc1Br ZINC000296024764 531646606 /nfs/dbraw/zinc/64/66/06/531646606.db2.gz NGBDCEJBOVVRRP-UHFFFAOYSA-N 0 0 388.287 1.464 10 0 GDAERN CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCO[C@H]2c2cccnc2)s1 ZINC000623103542 531799296 /nfs/dbraw/zinc/79/92/96/531799296.db2.gz WKZLTPYFGHQUOR-HIFRSBDPSA-N 0 0 381.479 1.876 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CCS1 ZINC000329036161 532094501 /nfs/dbraw/zinc/09/45/01/532094501.db2.gz YSUJKJVXQYFHDG-NSHDSACASA-N 0 0 376.525 1.253 10 0 GDAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000329152006 532097065 /nfs/dbraw/zinc/09/70/65/532097065.db2.gz BBUVPOHYRGQJPE-CHWSQXEVSA-N 0 0 381.523 1.433 10 0 GDAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000330217314 532118043 /nfs/dbraw/zinc/11/80/43/532118043.db2.gz NRYVIQPUNLTLAI-PMPSAXMXSA-N 0 0 376.544 1.314 10 0 GDAERN Cn1c2cc(Br)ccc2nc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285814060 532115463 /nfs/dbraw/zinc/11/54/63/532115463.db2.gz OPJZQIWEZMMFCZ-OLZOCXBDSA-N 0 0 378.274 1.934 10 0 GDAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000332767416 532208830 /nfs/dbraw/zinc/20/88/30/532208830.db2.gz ABHQQAIKWJCBLK-CBBWQLFWSA-N 0 0 377.242 1.900 10 0 GDAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)C[C@H]21 ZINC000333095331 532219696 /nfs/dbraw/zinc/21/96/96/532219696.db2.gz BPJVPBLDTPFDKG-MNOVXSKESA-N 0 0 376.381 1.102 10 0 GDAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CCN2C)n1 ZINC000287516969 532219903 /nfs/dbraw/zinc/21/99/03/532219903.db2.gz VFTUHHAPPDXZRH-NSHDSACASA-N 0 0 392.815 1.987 10 0 GDAERN CS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)Cc2ccccc21 ZINC000333115271 532220311 /nfs/dbraw/zinc/22/03/11/532220311.db2.gz FTCBGIKCBIKMOI-JKIFEVAISA-N 0 0 384.523 1.787 10 0 GDAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)CSc3ccccc32)N(S(C)(=O)=O)C1 ZINC000333226582 532226429 /nfs/dbraw/zinc/22/64/29/532226429.db2.gz SWPBWUDBKQTNCX-KCQAQPDRSA-N 0 0 384.523 1.810 10 0 GDAERN O=S(=O)(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333239418 532226548 /nfs/dbraw/zinc/22/65/48/532226548.db2.gz ZQFDYMGJHURUNU-YALNPMBYSA-N 0 0 390.571 1.831 10 0 GDAERN O=C(c1cccnc1-n1cc(Br)cn1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000333757650 532248577 /nfs/dbraw/zinc/24/85/77/532248577.db2.gz YYCHVEDMGOPYDL-LEWSCRJBSA-N 0 0 377.242 1.873 10 0 GDAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCS[C@@H](C)C3)C2)cc1 ZINC000334069087 532262662 /nfs/dbraw/zinc/26/26/62/532262662.db2.gz FSMIFRDHQXTOPZ-LBPRGKRZSA-N 0 0 385.511 1.215 10 0 GDAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000288807952 532308532 /nfs/dbraw/zinc/30/85/32/532308532.db2.gz AFQADPWUMVOMTQ-UHFFFAOYSA-N 0 0 394.678 1.501 10 0 GDAERN CCOC(=O)c1ccc(N(CCC2=Nc3c(nc(N)[nH]c3=O)NC2)C(C)=O)cc1 ZINC000017377876 212150233 /nfs/dbraw/zinc/15/02/33/212150233.db2.gz GGLROBWCPVFQKQ-UHFFFAOYSA-N 0 0 398.423 1.470 10 0 GDAERN COC(=O)Cn1c(=O)c(=O)n(Cc2ccco2)c2ccc(C(F)(F)F)cc21 ZINC000040545245 212118962 /nfs/dbraw/zinc/11/89/62/212118962.db2.gz JHRURCRZITTYJZ-UHFFFAOYSA-N 0 0 382.294 1.996 10 0 GDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCc4c(ncn(C)c4=O)C3)cc(Cl)c2O1 ZINC000328632131 212087419 /nfs/dbraw/zinc/08/74/19/212087419.db2.gz RPWUFNIAWYGOCN-JTQLQIEISA-N 0 0 395.868 1.504 10 0 GDAERN O=C1OCc2ccc(S(=O)(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)cc21 ZINC000328608727 212083648 /nfs/dbraw/zinc/08/36/48/212083648.db2.gz BDBDYELQHPKRLP-BBRMVZONSA-N 0 0 379.459 1.815 10 0 GDAERN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCC(C)C)c2=O)cc1 ZINC000006801189 220962853 /nfs/dbraw/zinc/96/28/53/220962853.db2.gz LMWBECPFNJCIFW-UHFFFAOYSA-N 0 0 381.432 1.933 10 0 GDAERN COc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006893340 220976852 /nfs/dbraw/zinc/97/68/52/220976852.db2.gz KTCKLKMGNXHTQT-UHFFFAOYSA-N 0 0 390.417 1.829 10 0 GDAERN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)NC3CCCC3)cc2C[C@@H]1C ZINC000006866908 220972172 /nfs/dbraw/zinc/97/21/72/220972172.db2.gz ORGQMRPRLUKUBV-ZDUSSCGKSA-N 0 0 393.509 1.663 10 0 GDAERN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCCSC ZINC000014971850 221321838 /nfs/dbraw/zinc/32/18/38/221321838.db2.gz GJAUZVGAGDNDDX-INIZCTEOSA-N 0 0 379.526 1.645 10 0 GDAERN O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCc1cccs1 ZINC000015066916 221329999 /nfs/dbraw/zinc/32/99/99/221329999.db2.gz LHADLVSPHYXNFC-LJQANCHMSA-N 0 0 383.517 1.765 10 0 GDAERN CCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000016028317 221356296 /nfs/dbraw/zinc/35/62/96/221356296.db2.gz ZURZNROGUUVCMD-IRXDYDNUSA-N 0 0 375.469 1.476 10 0 GDAERN CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](C)O[C@@H](Sc2ccccn2)[C@H]1OC(C)=O ZINC000053275958 222009068 /nfs/dbraw/zinc/00/90/68/222009068.db2.gz XBKOQNIEZLQWIR-QSZRTONLSA-N 0 0 383.422 1.714 10 0 GDAERN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NCc1cccnc1 ZINC000055341856 222020324 /nfs/dbraw/zinc/02/03/24/222020324.db2.gz GXMZNRPRGMZFEM-MEQKGCOVSA-N 0 0 394.475 1.610 10 0 GDAERN CCCn1cc(CNC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c(C)n1 ZINC000065210461 222111302 /nfs/dbraw/zinc/11/13/02/222111302.db2.gz LOQUOKTYLFIVKC-UHFFFAOYSA-N 0 0 376.482 1.854 10 0 GDAERN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000067603857 222149969 /nfs/dbraw/zinc/14/99/69/222149969.db2.gz LBUHRDZJGXEAHL-UHOSZYNNSA-N 0 0 391.537 1.682 10 0 GDAERN COCCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000072394358 222252106 /nfs/dbraw/zinc/25/21/06/222252106.db2.gz VCCYADCNCSDVKM-UHFFFAOYSA-N 0 0 382.482 1.238 10 0 GDAERN C[C@H](Cc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000077292537 222277534 /nfs/dbraw/zinc/27/75/34/222277534.db2.gz HSYKNUPTHBBLQY-DIFFPNOSSA-N 0 0 383.422 1.534 10 0 in-vitro GDAERN O=C(/C=C\c1ccc2c(c1)OCO2)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000101322855 222470932 /nfs/dbraw/zinc/47/09/32/222470932.db2.gz XHKBXHWKKWELPH-XQRVVYSFSA-N 0 0 375.402 1.847 10 0 GDAERN CC(=O)O[C@@H]1[C@H](C)O[C@@H](Sc2ccccn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004179134 570361659 /nfs/dbraw/zinc/36/16/59/570361659.db2.gz XBKOQNIEZLQWIR-GXLRZVKCSA-N 0 0 383.422 1.714 10 0 GDAERN COC[C@@H](NC(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1)C1CC1 ZINC000408474807 570466985 /nfs/dbraw/zinc/46/69/85/570466985.db2.gz QZQRNUOMYJPFEN-SJORKVTESA-N 0 0 375.473 1.585 10 0 GDAERN COc1ccc(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)cc1OC ZINC000006808174 570609694 /nfs/dbraw/zinc/60/96/94/570609694.db2.gz MDFOFNGCSKVADE-UHFFFAOYSA-N 0 0 377.426 1.237 10 0 GDAERN C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@](O)(c4nc(C5CC5)no4)C3)ccc2O1 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Cc1nnc([C@H]2CN(CC(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000173715132 530635701 /nfs/dbraw/zinc/63/57/01/530635701.db2.gz YSNNZWIVFJQUGY-CYBMUJFWSA-N 0 0 380.246 1.888 10 0 GDAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)[nH]1 ZINC000173740903 530636228 /nfs/dbraw/zinc/63/62/28/530636228.db2.gz NAXXRPOAWJKCPI-SECBINFHSA-N 0 0 376.360 1.547 10 0 GDAERN COc1ccc(Br)cc1CC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000173763386 530636301 /nfs/dbraw/zinc/63/63/01/530636301.db2.gz SMECNDWLZGCZKH-HNNXBMFYSA-N 0 0 383.286 1.980 10 0 GDAERN C[C@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@@H]1N1CCOCC1 ZINC000173833891 530638190 /nfs/dbraw/zinc/63/81/90/530638190.db2.gz FCMQMHWPSGGALP-GWCFXTLKSA-N 0 0 389.237 1.412 10 0 GDAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172743288 530616877 /nfs/dbraw/zinc/61/68/77/530616877.db2.gz DAJKNWHDVRPWLN-CYBMUJFWSA-N 0 0 397.269 1.767 10 0 GDAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1C[C@@H](C)O ZINC000174621574 530651578 /nfs/dbraw/zinc/65/15/78/530651578.db2.gz ONAAIEZIPBIXKL-UKRRQHHQSA-N 0 0 388.917 1.417 10 0 GDAERN CS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000053316077 530691727 /nfs/dbraw/zinc/69/17/27/530691727.db2.gz QUNOUGSAYVUXMY-UHFFFAOYSA-N 0 0 383.470 1.596 10 0 GDAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)s1 ZINC000177005356 530695246 /nfs/dbraw/zinc/69/52/46/530695246.db2.gz LVEPFAZBXIPSER-ZDUSSCGKSA-N 0 0 383.499 1.140 10 0 GDAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177535206 530704962 /nfs/dbraw/zinc/70/49/62/530704962.db2.gz CJLXVQTXJACJHB-CYBMUJFWSA-N 0 0 392.257 1.812 10 0 GDAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccccc1Br)CC2 ZINC000177643468 530707590 /nfs/dbraw/zinc/70/75/90/530707590.db2.gz VIAIISJIYRYBSE-SNVBAGLBSA-N 0 0 392.257 1.673 10 0 GDAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177654233 530707859 /nfs/dbraw/zinc/70/78/59/530707859.db2.gz VKUGEKKVGXYXPO-AWEZNQCLSA-N 0 0 393.241 1.512 10 0 GDAERN O=S(=O)(Cc1ncc(-c2ccc(Br)cc2)o1)C[C@H](O)CO ZINC000177672101 530708337 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Cn1cc([C@H]2CNCCN2C(=O)c2cncc(I)c2)cn1 ZINC000181443654 530783761 /nfs/dbraw/zinc/78/37/61/530783761.db2.gz MTWOVBWACOCNPM-CYBMUJFWSA-N 0 0 397.220 1.206 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000182268994 530797381 /nfs/dbraw/zinc/79/73/81/530797381.db2.gz REWZPBCGIDGFRC-CYBMUJFWSA-N 0 0 383.499 1.816 10 0 GDAERN Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cnc1Br ZINC000182817967 530805062 /nfs/dbraw/zinc/80/50/62/530805062.db2.gz PTTMBVFHMWRIGM-KBPBESRZSA-N 0 0 390.237 1.866 10 0 GDAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000184749388 530831721 /nfs/dbraw/zinc/83/17/21/530831721.db2.gz VELLFCWFVYMDSC-NSHDSACASA-N 0 0 395.294 1.929 10 0 GDAERN Cc1[nH]cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(=O)c1Br ZINC000183219798 530812208 /nfs/dbraw/zinc/81/22/08/530812208.db2.gz VOZNZZFSOMFHLL-GWCFXTLKSA-N 0 0 384.274 1.651 10 0 GDAERN O=C([C@@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184092134 530824648 /nfs/dbraw/zinc/82/46/48/530824648.db2.gz 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/nfs/dbraw/zinc/90/29/05/530902905.db2.gz FUSRHIBPYRJQHZ-NSHDSACASA-N 0 0 384.209 1.926 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)cn1 ZINC000116466535 530905099 /nfs/dbraw/zinc/90/50/99/530905099.db2.gz VLWVQPNBVRYUJC-JTQLQIEISA-N 0 0 381.230 1.522 10 0 GDAERN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)n1 ZINC000112093401 530878151 /nfs/dbraw/zinc/87/81/51/530878151.db2.gz SZWHHORNOKITAL-NSHDSACASA-N 0 0 385.877 1.748 10 0 GDAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187921184 530880368 /nfs/dbraw/zinc/88/03/68/530880368.db2.gz XBCLXLBRGLDYHM-UHFFFAOYSA-N 0 0 375.853 1.366 10 0 GDAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112650873 530883626 /nfs/dbraw/zinc/88/36/26/530883626.db2.gz JDTFDFMMJXFJLW-VHSXEESVSA-N 0 0 382.251 1.834 10 0 GDAERN COc1cc(Br)cc(S(=O)(=O)N2CCCN(C)C(=O)C2)c1 ZINC000188226717 530889603 /nfs/dbraw/zinc/88/96/03/530889603.db2.gz YIUFAAVVWBWBNP-UHFFFAOYSA-N 0 0 377.260 1.311 10 0 GDAERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000189318502 530911246 /nfs/dbraw/zinc/91/12/46/530911246.db2.gz VLJRBAJJEWWRLH-SNVBAGLBSA-N 0 0 387.221 1.440 10 0 GDAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114818548 530896955 /nfs/dbraw/zinc/89/69/55/530896955.db2.gz HBNOJIBMCJLFMV-CYBMUJFWSA-N 0 0 380.495 1.880 10 0 GDAERN CC(=O)N[C@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(Br)cc1 ZINC000190451565 530930313 /nfs/dbraw/zinc/93/03/13/530930313.db2.gz WYPCATGTPWOOSP-OAHLLOKOSA-N 0 0 382.258 1.363 10 0 GDAERN COCc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c(C)c(Br)c1=O)CC2 ZINC000119769009 530931266 /nfs/dbraw/zinc/93/12/66/530931266.db2.gz BDCLXKLHOGAHIT-SECBINFHSA-N 0 0 396.245 1.341 10 0 GDAERN Cc1nn(C)c2sc(C(=O)N3CC[C@@H](S(=O)(=O)N4CCCC4)C3)cc12 ZINC000119889762 530933143 /nfs/dbraw/zinc/93/31/43/530933143.db2.gz QKKYCEKPCKFAJA-GFCCVEGCSA-N 0 0 382.511 1.583 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C[C@H]1C ZINC000117522650 530912877 /nfs/dbraw/zinc/91/28/77/530912877.db2.gz YMAXRCGVLYIFBX-CYBMUJFWSA-N 0 0 398.301 1.875 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1cc(I)ccc1O)C(C)C ZINC000189613218 530918024 /nfs/dbraw/zinc/91/80/24/530918024.db2.gz RVMLXDCKHYRQIS-LLVKDONJSA-N 0 0 376.194 1.497 10 0 GDAERN CN1CCCN(C(=O)c2ccc(I)c(F)c2)CC1=O ZINC000189777279 530920226 /nfs/dbraw/zinc/92/02/26/530920226.db2.gz GHNJRWWFEGQNEX-UHFFFAOYSA-N 0 0 376.169 1.735 10 0 GDAERN COc1ccc(Cl)cc1S(=O)(=O)N1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000119458335 530925970 /nfs/dbraw/zinc/92/59/70/530925970.db2.gz DNSTYNCHLMHAGE-LSDHHAIUSA-N 0 0 388.917 1.958 10 0 GDAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000192080847 530961103 /nfs/dbraw/zinc/96/11/03/530961103.db2.gz OMQVWSURKIGUEC-QMMMGPOBSA-N 0 0 384.223 1.663 10 0 GDAERN O=C(c1ccc(Br)cn1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120111906 530935350 /nfs/dbraw/zinc/93/53/50/530935350.db2.gz MVIKFERTGSCQFW-GFCCVEGCSA-N 0 0 388.287 1.484 10 0 GDAERN CCS(=O)(=O)N1CC(CNC(=O)Cc2cccc(Br)c2C)C1 ZINC000190780187 530937254 /nfs/dbraw/zinc/93/72/54/530937254.db2.gz PKYAZUMPPVOJOB-UHFFFAOYSA-N 0 0 389.315 1.698 10 0 GDAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000191646337 530952309 /nfs/dbraw/zinc/95/23/09/530952309.db2.gz XXGWHXDNSCEFIM-WCQYABFASA-N 0 0 386.436 1.616 10 0 GDAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc(I)ccc1O ZINC000192778203 530973722 /nfs/dbraw/zinc/97/37/22/530973722.db2.gz QXSZMFVXJZHHIM-LLVKDONJSA-N 0 0 388.205 1.690 10 0 GDAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000192888956 530974796 /nfs/dbraw/zinc/97/47/96/530974796.db2.gz IHBKUVPHKKXYNG-HUUCEWRRSA-N 0 0 381.270 1.926 10 0 GDAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000193170053 530980983 /nfs/dbraw/zinc/98/09/83/530980983.db2.gz YGRGDUPNZYRIFQ-LLVKDONJSA-N 0 0 386.221 1.572 10 0 GDAERN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000193334694 530983997 /nfs/dbraw/zinc/98/39/97/530983997.db2.gz CVTSTZWYAJPESE-NSHDSACASA-N 0 0 390.303 1.797 10 0 GDAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193321238 530984323 /nfs/dbraw/zinc/98/43/23/530984323.db2.gz YUEDBWUQZQIFDM-UHFFFAOYSA-N 0 0 392.257 1.922 10 0 GDAERN O=C(Nc1ccc(Br)cn1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000193478717 530987127 /nfs/dbraw/zinc/98/71/27/530987127.db2.gz WWNFPLTYFHLMSN-JSGCOSHPSA-N 0 0 376.210 1.557 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ncc1Br ZINC000193471579 530987237 /nfs/dbraw/zinc/98/72/37/530987237.db2.gz VEZOLEYRYVLMBD-NWDGAFQWSA-N 0 0 399.289 1.005 10 0 GDAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000123998759 530989855 /nfs/dbraw/zinc/98/98/55/530989855.db2.gz UEBBTGMMUYQUCQ-JOYOIKCWSA-N 0 0 378.230 1.552 10 0 GDAERN Cn1cc([C@H]2CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)cn1 ZINC000125473933 531006444 /nfs/dbraw/zinc/00/64/44/531006444.db2.gz NCUDWPBZTLCHFO-CYBMUJFWSA-N 0 0 383.499 1.307 10 0 GDAERN CN1CCO[C@H](CNC(=O)COc2ccc(I)cc2)C1 ZINC000194638469 531007931 /nfs/dbraw/zinc/00/79/31/531007931.db2.gz JZCAAPQNIWSUGO-CYBMUJFWSA-N 0 0 390.221 1.117 10 0 GDAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000125971447 531013612 /nfs/dbraw/zinc/01/36/12/531013612.db2.gz NOWGPZFGTSFSTK-NSHDSACASA-N 0 0 383.861 1.406 10 0 GDAERN COc1c(CNCCNS(=O)(=O)c2ccc(Cl)s2)c(C)nn1C ZINC000127832972 531034688 /nfs/dbraw/zinc/03/46/88/531034688.db2.gz HGPLYNDIJKWHMA-UHFFFAOYSA-N 0 0 378.907 1.520 10 0 GDAERN COC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000125156374 531003387 /nfs/dbraw/zinc/00/33/87/531003387.db2.gz LGSQKFYBEXYQIP-VIFPVBQESA-N 0 0 389.271 1.795 10 0 GDAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000245895119 531061521 /nfs/dbraw/zinc/06/15/21/531061521.db2.gz KEIFJCASFWVSEU-BLLLJJGKSA-N 0 0 376.881 1.961 10 0 GDAERN C[C@@H]1COC[C@@H](C)N1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000130748448 531063648 /nfs/dbraw/zinc/06/36/48/531063648.db2.gz AKRGVOQPMINXKM-NXEZZACHSA-N 0 0 381.226 1.681 10 0 GDAERN C[C@H]1CN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCS1 ZINC000246174456 531064378 /nfs/dbraw/zinc/06/43/78/531064378.db2.gz SVZUEUFSEHWMLF-KBPBESRZSA-N 0 0 388.580 1.701 10 0 GDAERN O=C(NC[C@H](O)CN1CCOCC1)C1(c2ccc(Br)cc2)CC1 ZINC000129003320 531046292 /nfs/dbraw/zinc/04/62/92/531046292.db2.gz UJHHZTWKCHCSOK-HNNXBMFYSA-N 0 0 383.286 1.290 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000128988144 531046461 /nfs/dbraw/zinc/04/64/61/531046461.db2.gz ODFFMFHFVZXJOF-CYBMUJFWSA-N 0 0 382.258 1.353 10 0 GDAERN CCc1nnc([C@@H]2CN(c3ncnc4c3c(Br)nn4C)CCO2)[nH]1 ZINC000131661583 531073917 /nfs/dbraw/zinc/07/39/17/531073917.db2.gz VKUDMOCEKOSRNS-QMMMGPOBSA-N 0 0 393.249 1.384 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1N1CCOCC1 ZINC000248412530 531077774 /nfs/dbraw/zinc/07/77/74/531077774.db2.gz FLHXTIAAWDBNTP-DGCLKSJQSA-N 0 0 379.404 1.442 10 0 GDAERN Cc1nsc(N2CCCN([C@H]3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1 ZINC000248824623 531082433 /nfs/dbraw/zinc/08/24/33/531082433.db2.gz FVDCJHGKQBCRFD-JTQLQIEISA-N 0 0 377.392 1.048 10 0 GDAERN O=C(CCCOc1cccc(Cl)c1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000132711090 531083446 /nfs/dbraw/zinc/08/34/46/531083446.db2.gz OLMSSKFSQGAKQM-CYBMUJFWSA-N 0 0 391.295 1.962 10 0 GDAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000249195825 531085539 /nfs/dbraw/zinc/08/55/39/531085539.db2.gz QDCBQIXEOSGEGV-UWVGGRQHSA-N 0 0 383.333 1.586 10 0 GDAERN CCc1csc([C@@H]2CCCN([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)n1 ZINC000249869411 531089583 /nfs/dbraw/zinc/08/95/83/531089583.db2.gz JELLBPKEDLVYJX-UMVBOHGHSA-N 0 0 385.555 1.577 10 0 GDAERN O=C(NC[C@@H](O)c1ccsc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000246799750 531069805 /nfs/dbraw/zinc/06/98/05/531069805.db2.gz DMFBREUJPBOCLO-QWHCGFSZSA-N 0 0 386.520 1.813 10 0 GDAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)cn1 ZINC000154127279 531177653 /nfs/dbraw/zinc/17/76/53/531177653.db2.gz JJNCNQCFHUVYJQ-JTQLQIEISA-N 0 0 378.230 1.532 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000154286070 531180755 /nfs/dbraw/zinc/18/07/55/531180755.db2.gz QTTQEQAYIYNKIX-GFCCVEGCSA-N 0 0 379.218 1.238 10 0 GDAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000154451235 531184368 /nfs/dbraw/zinc/18/43/68/531184368.db2.gz SCGXHAIQQSEAJX-UHFFFAOYSA-N 0 0 385.877 1.074 10 0 GDAERN Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1Br ZINC000156408060 531204853 /nfs/dbraw/zinc/20/48/53/531204853.db2.gz TUGCKWHJPISHNA-ZDUSSCGKSA-N 0 0 389.315 1.853 10 0 GDAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000408029411 531212932 /nfs/dbraw/zinc/21/29/32/531212932.db2.gz BSKATKZAQOVREO-INIZCTEOSA-N 0 0 390.864 1.617 10 0 GDAERN O=C(c1csc(C(F)(F)F)n1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408051866 531214273 /nfs/dbraw/zinc/21/42/73/531214273.db2.gz JLWHCDHOTOQCOG-SCZZXKLOSA-N 0 0 381.351 1.573 10 0 GDAERN O=C([C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cc(F)ccc1Cl)N1CCOCC1 ZINC000408029686 531213393 /nfs/dbraw/zinc/21/33/93/531213393.db2.gz XYJJICCKYNSGFQ-YPMHNXCESA-N 0 0 394.827 1.439 10 0 GDAERN C[C@H]1CN(C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000408113446 531219308 /nfs/dbraw/zinc/21/93/08/531219308.db2.gz SJTJTBCUTAOTFY-NSHDSACASA-N 0 0 379.258 1.322 10 0 GDAERN NS(=O)(=O)c1cc(F)c(N2CCN3CCCC[C@@H]3C2)c(Br)c1 ZINC000408229240 531227104 /nfs/dbraw/zinc/22/71/04/531227104.db2.gz OLEUCPFDWNVNNI-SNVBAGLBSA-N 0 0 392.294 1.910 10 0 GDAERN C[C@H]1CCCN(C(=O)Nc2ccncc2I)[C@H]1CO ZINC000408218743 531226174 /nfs/dbraw/zinc/22/61/74/531226174.db2.gz VASITODQUFJQLU-CABZTGNLSA-N 0 0 375.210 1.733 10 0 GDAERN O=C1NC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1cc(F)ccc1Br ZINC000408218281 531226247 /nfs/dbraw/zinc/22/62/47/531226247.db2.gz HSXIDNHGCYUJNZ-MWLCHTKSSA-N 0 0 377.235 1.487 10 0 GDAERN C[C@@H]1CCCN(C(=O)Nc2ccncc2I)[C@@H]1CO ZINC000408218741 531226351 /nfs/dbraw/zinc/22/63/51/531226351.db2.gz VASITODQUFJQLU-BXKDBHETSA-N 0 0 375.210 1.733 10 0 GDAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408247157 531229839 /nfs/dbraw/zinc/22/98/39/531229839.db2.gz MOBMWLSQQACESA-MRXNPFEDSA-N 0 0 381.226 1.920 10 0 GDAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000408237490 531228092 /nfs/dbraw/zinc/22/80/92/531228092.db2.gz NYOORGGUYBUBGR-OLZOCXBDSA-N 0 0 387.527 1.296 10 0 GDAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](NC(C)=O)CC[C@@H]1C(F)(F)F ZINC000408245144 531228292 /nfs/dbraw/zinc/22/82/92/531228292.db2.gz FJTLVGMSYCTEMF-QJPTWQEYSA-N 0 0 381.420 1.356 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(F)ccc3F)CC2)[C@@H](C)CO1 ZINC000408369941 531236216 /nfs/dbraw/zinc/23/62/16/531236216.db2.gz DXRRVOAYULXKRC-QWHCGFSZSA-N 0 0 375.441 1.441 10 0 GDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(F)c1I ZINC000548920123 531520185 /nfs/dbraw/zinc/52/01/85/531520185.db2.gz XNZXGPLFJIGGLE-GMSGAONNSA-N 0 0 376.169 1.827 10 0 GDAERN C[C@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000270684361 531910223 /nfs/dbraw/zinc/91/02/23/531910223.db2.gz UBYMCRCGDKLSQV-IUODEOHRSA-N 0 0 387.889 1.533 10 0 GDAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000284136153 531933722 /nfs/dbraw/zinc/93/37/22/531933722.db2.gz IEETVVJGBIRWNK-IUODEOHRSA-N 0 0 395.301 1.948 10 0 GDAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000284136144 531934003 /nfs/dbraw/zinc/93/40/03/531934003.db2.gz IEETVVJGBIRWNK-DOMZBBRYSA-N 0 0 395.301 1.948 10 0 GDAERN CCc1cc(=O)n2nc(NCC(=O)N3CCc4sccc4C3)sc2n1 ZINC000301147654 532026386 /nfs/dbraw/zinc/02/63/86/532026386.db2.gz BLRUGPPBRSCOCW-UHFFFAOYSA-N 0 0 375.479 1.772 10 0 GDAERN COCc1nsc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000301604223 532036787 /nfs/dbraw/zinc/03/67/87/532036787.db2.gz XLNDNZZCHAEWPA-UHFFFAOYSA-N 0 0 390.437 1.474 10 0 GDAERN CC(C)[C@@H](Nc1ncnc2c1c(Br)nn2C)C(=O)N1CCOCC1 ZINC000301636181 532038328 /nfs/dbraw/zinc/03/83/28/532038328.db2.gz FFLXIMSGIFZGHE-LLVKDONJSA-N 0 0 397.277 1.421 10 0 GDAERN COCc1nsc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 ZINC000301605522 532038699 /nfs/dbraw/zinc/03/86/99/532038699.db2.gz YDIDOUNYIVFXSF-UHFFFAOYSA-N 0 0 390.437 1.474 10 0 GDAERN O=C(CCNC(=O)c1cccs1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329482101 532104782 /nfs/dbraw/zinc/10/47/82/532104782.db2.gz RKMKTEFNCHDCPM-ZDUSSCGKSA-N 0 0 381.523 1.434 10 0 GDAERN O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000330295296 532119241 /nfs/dbraw/zinc/11/92/41/532119241.db2.gz JEMYZUHYEPEGGN-NWDGAFQWSA-N 0 0 381.420 1.953 10 0 GDAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000375231220 532154553 /nfs/dbraw/zinc/15/45/53/532154553.db2.gz XMWLDSJFZQMZJU-VHSXEESVSA-N 0 0 384.679 1.873 10 0 GDAERN Cc1noc(C)c1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000287144453 532198376 /nfs/dbraw/zinc/19/83/76/532198376.db2.gz WYPYDGMYZAQALY-NXEZZACHSA-N 0 0 384.380 1.577 10 0 GDAERN C[C@@H](C[C@@H]1CCCO1)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000332716484 532207030 /nfs/dbraw/zinc/20/70/30/532207030.db2.gz HVGLYSDDZXLUKA-JSGCOSHPSA-N 0 0 388.511 1.456 10 0 GDAERN NC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000332912529 532213332 /nfs/dbraw/zinc/21/33/32/532213332.db2.gz LDIKLGBHUWYJOU-DXCKQFNASA-N 0 0 378.270 1.922 10 0 GDAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000332983157 532214946 /nfs/dbraw/zinc/21/49/46/532214946.db2.gz WGOYELPKLOULLU-DSJMHWKBSA-N 0 0 376.544 1.696 10 0 GDAERN CN(CCNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333095411 532219653 /nfs/dbraw/zinc/21/96/53/532219653.db2.gz BQBUFQORDPLRAC-IFTGGNMHSA-N 0 0 390.571 1.545 10 0 GDAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000333187758 532224639 /nfs/dbraw/zinc/22/46/39/532224639.db2.gz NHQFDNZUFACBNM-BFHYXJOUSA-N 0 0 387.527 1.691 10 0 GDAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)c2sccc2Br)n1 ZINC000275311249 532285175 /nfs/dbraw/zinc/28/51/75/532285175.db2.gz NZJWTYVPVRSMFM-VXNVDRBHSA-N 0 0 394.272 1.699 10 0 GDAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cccc(C)c2I)C1 ZINC000389125350 532297107 /nfs/dbraw/zinc/29/71/07/532297107.db2.gz SCEHEBWZVLWAIV-QWRGUYRKSA-N 0 0 375.206 1.821 10 0 GDAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)c2cccn2C2CCCC2)cn1 ZINC000328630842 212086954 /nfs/dbraw/zinc/08/69/54/212086954.db2.gz QHEMWZZSTGXYEW-KRWDZBQOSA-N 0 0 376.482 1.949 10 0 GDAERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Cc2nc(C)sc2C)cn1 ZINC000328626385 212085890 /nfs/dbraw/zinc/08/58/90/212085890.db2.gz LQULWEIILFTKKV-OAHLLOKOSA-N 0 0 382.511 1.517 10 0 GDAERN C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000004933573 220794507 /nfs/dbraw/zinc/79/45/07/220794507.db2.gz DCZIUPPSFPTKIY-CZUORRHYSA-N 0 0 393.509 1.887 10 0 GDAERN C[C@H]1C[C@H](C)CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000005010535 220811026 /nfs/dbraw/zinc/81/10/26/220811026.db2.gz NPKVKTZGZFXVPZ-KBPBESRZSA-N 0 0 393.509 1.744 10 0 GDAERN Cc1nc2c(c(C)c1CCC(=O)N1C[C@H](C)C[C@@H](C)C1)c(=O)n(C)c(=O)n2C ZINC000006772860 220959591 /nfs/dbraw/zinc/95/95/91/220959591.db2.gz KAHFBKQIAGHHRX-CHWSQXEVSA-N 0 0 386.496 1.686 10 0 GDAERN O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000006808314 220964902 /nfs/dbraw/zinc/96/49/02/220964902.db2.gz SIFITZHZDASODP-AWEZNQCLSA-N 0 0 384.436 1.357 10 0 GDAERN O=C(Nc1nccs1)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccccc3)S[C@@H]21 ZINC000008636422 221048803 /nfs/dbraw/zinc/04/88/03/221048803.db2.gz VTRYCKUHBFNAHP-ZUWCUPBKSA-N 0 0 390.490 1.775 10 0 GDAERN CC[C@H]1CN(CC(=O)NCCN2CCOCC2)Cc2cc(OC)ccc2O1 ZINC000011840389 221131015 /nfs/dbraw/zinc/13/10/15/221131015.db2.gz DBCRZLYCVIFNJM-KRWDZBQOSA-N 0 0 377.485 1.117 10 0 GDAERN CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1 ZINC000011935134 221138661 /nfs/dbraw/zinc/13/86/61/221138661.db2.gz CFSPWAKAHGGMAY-LJQANCHMSA-N 0 0 397.523 1.590 10 0 GDAERN O=C1CCCN1CC1CCN(c2nc3nonc3nc2N2CCCCC2)CC1 ZINC000012465614 221199031 /nfs/dbraw/zinc/19/90/31/221199031.db2.gz DEJHYWWGNCHIEG-UHFFFAOYSA-N 0 0 385.472 1.842 10 0 GDAERN O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(CCN3CCNC3=O)CC[C@H]2C1 ZINC000015673201 221339281 /nfs/dbraw/zinc/33/92/81/221339281.db2.gz CUGVITIZUYUXFL-ROUUACIJSA-N 0 0 384.480 1.413 10 0 biogenic GDAERN O=C(NCc1ccccn1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901336 221517905 /nfs/dbraw/zinc/51/79/05/221517905.db2.gz JZUQPRKLSGYOHS-CYBMUJFWSA-N 0 0 386.481 1.593 10 0 GDAERN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)NC4CC4)c(C)cc32)no1 ZINC000065022675 136158630 /nfs/dbraw/zinc/15/86/30/136158630.db2.gz FFTWKHSUFGRXQI-UHFFFAOYSA-N 0 0 392.437 1.307 10 0 GDAERN COc1ncccc1NC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C ZINC000096062728 136183519 /nfs/dbraw/zinc/18/35/19/136183519.db2.gz ZTMOXFGYMJCWFE-UHFFFAOYSA-N 0 0 394.435 1.975 10 0 GDAERN COc1c(N2CC[C@@H](C[NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000028703377 221681918 /nfs/dbraw/zinc/68/19/18/221681918.db2.gz LEZKBUPOVDJOKP-JTQLQIEISA-N 0 0 375.400 1.967 10 0 GDAERN Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2)nn1C ZINC000055383373 222019686 /nfs/dbraw/zinc/01/96/86/222019686.db2.gz JNNFWANTDOGKAW-AIADIJKESA-N 0 0 381.480 1.249 10 0 GDAERN COCC(=O)N1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000065172456 222106444 /nfs/dbraw/zinc/10/64/44/222106444.db2.gz HUBZZYUDEUNDKX-UHFFFAOYSA-N 0 0 390.440 1.435 10 0 GDAERN O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCCN1CCOCC1 ZINC000064846961 222084765 /nfs/dbraw/zinc/08/47/65/222084765.db2.gz GSIXFXVBUNBHFD-UHFFFAOYSA-N 0 0 394.560 1.969 10 0 GDAERN O=C(NCCN1CCOCC1)[C@@H]1CCCN(c2nnc3c(Cl)cccn32)C1 ZINC000065312733 222122834 /nfs/dbraw/zinc/12/28/34/222122834.db2.gz BINBCJCPDNOWJY-CQSZACIVSA-N 0 0 392.891 1.048 10 0 GDAERN CN1CCN(C(=O)c2cc3n(n2)CCN(Cc2c[nH]c4ccc(F)cc24)C3)CC1 ZINC000067641869 222152212 /nfs/dbraw/zinc/15/22/12/222152212.db2.gz ITTUCNBDDXYACL-UHFFFAOYSA-N 0 0 396.470 1.907 10 0 GDAERN NC(=O)CN1CCC(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000072151830 222212930 /nfs/dbraw/zinc/21/29/30/222212930.db2.gz ZGDGGQPAESWJBF-INIZCTEOSA-N 0 0 391.899 1.959 10 0 GDAERN O=C(c1nc2ccccn2c1F)N1C[C@H](O)[C@@H](N2CCc3ccccc3C2)C1 ZINC000072407753 222255620 /nfs/dbraw/zinc/25/56/20/222255620.db2.gz ZUIUVVPNGIQKLM-IRXDYDNUSA-N 0 0 380.423 1.717 10 0 GDAERN CC(C)(C)C(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc32)CC1 ZINC000095590408 534491658 /nfs/dbraw/zinc/49/16/58/534491658.db2.gz VFTCCJSLGAXIGU-UHFFFAOYSA-N 0 0 390.513 1.075 10 0 GDAERN CC[C@@H](O)CN(CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000036206976 570569080 /nfs/dbraw/zinc/56/90/80/570569080.db2.gz QGTQEDNNSBBLPZ-GFCCVEGCSA-N 0 0 397.497 1.689 10 0 GDAERN Cc1cc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)c(F)cc1F ZINC000275287435 570688513 /nfs/dbraw/zinc/68/85/13/570688513.db2.gz LGMJRMWZYRZZIL-MRXNPFEDSA-N 0 0 385.392 1.816 10 0 GDAERN Cn1ccnc(N2CCC[C@@H](N[C@H](C(=O)NC3CC3)c3ccccc3)C2)c1=O ZINC000275359201 570691059 /nfs/dbraw/zinc/69/10/59/570691059.db2.gz ATZHSORTTKLGPI-MSOLQXFVSA-N 0 0 381.480 1.359 10 0 GDAERN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000189195095 570747243 /nfs/dbraw/zinc/74/72/43/570747243.db2.gz XIEHOFLAXRZVEW-JKSUJKDBSA-N 0 0 381.502 1.698 10 0 GDAERN Cc1ccc(OC[C@H](O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 ZINC000102779857 644600032 /nfs/dbraw/zinc/60/00/32/644600032.db2.gz RLVUJAYLGQQSNG-LLVKDONJSA-N 0 0 393.241 1.641 10 0 GDAERN CCc1cc(Br)ccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000128105992 644728338 /nfs/dbraw/zinc/72/83/38/644728338.db2.gz KYEMHGKCHDHHHO-LBPRGKRZSA-N 0 0 375.288 1.727 10 0 GDAERN CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)/C=C/c1ccccc1)CC2 ZINC000158000645 644833236 /nfs/dbraw/zinc/83/32/36/644833236.db2.gz WNGIYHPGCPWZHN-ZRDIBKRKSA-N 0 0 378.475 1.958 10 0 GDAERN CCN(C(=O)[C@H]1CNC(=O)C1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000171502314 644875946 /nfs/dbraw/zinc/87/59/46/644875946.db2.gz NGQSTRUHGQRURN-SNVBAGLBSA-N 0 0 389.271 1.431 10 0 GDAERN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172961181 644886312 /nfs/dbraw/zinc/88/63/12/644886312.db2.gz VUXBVVCMXKIVQM-LLVKDONJSA-N 0 0 384.263 1.953 10 0 GDAERN CC(=O)N[C@H]1CCCN(Cn2nc(Br)nc2Br)C1 ZINC000175233455 644904163 /nfs/dbraw/zinc/90/41/63/644904163.db2.gz UDHQQIANTGQPAL-QMMMGPOBSA-N 0 0 381.072 1.361 10 0 GDAERN O=C(OCc1nc(Cc2ccccc2Br)n[nH]1)[C@H]1CNC(=O)C1 ZINC000185382640 644985680 /nfs/dbraw/zinc/98/56/80/644985680.db2.gz JLABTCXXACVGTB-SNVBAGLBSA-N 0 0 379.214 1.337 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)c3nc(Br)cs3)CC2)no1 ZINC000188860963 645008529 /nfs/dbraw/zinc/00/85/29/645008529.db2.gz UZANHHAFEVNJRK-UHFFFAOYSA-N 0 0 386.275 1.945 10 0 GDAERN CS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000328826096 645279931 /nfs/dbraw/zinc/27/99/31/645279931.db2.gz QDEWSTKWDLEOFD-KBPBESRZSA-N 0 0 384.523 1.778 10 0 GDAERN CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC[C@@H]1CCCCN1C(C)=O ZINC000330194771 645347213 /nfs/dbraw/zinc/34/72/13/645347213.db2.gz ZEARTDRHSSPMPE-JKSUJKDBSA-N 0 0 394.559 1.006 10 0 GDAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000371373810 645739859 /nfs/dbraw/zinc/73/98/59/645739859.db2.gz ONXKOANZSOWNSW-MSIPSHCFSA-N 0 0 376.425 1.427 10 0 GDAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000574784907 651568545 /nfs/dbraw/zinc/56/85/45/651568545.db2.gz XAYXSZFEEBHWEM-CABCVRRESA-N 0 0 385.507 1.588 10 0 GDAERN O=S(=O)(c1cnn2c1OCCC2)N1CCN(c2ccncc2Cl)CC1 ZINC000886071889 657592005 /nfs/dbraw/zinc/59/20/05/657592005.db2.gz OGHQMEPVDGVLNY-UHFFFAOYSA-N 0 0 383.861 1.225 10 0 GDAERN Cc1csc(N2CCN(c3nc(Cl)ccc3S(N)(=O)=O)C[C@H]2C)n1 ZINC000892352433 658320278 /nfs/dbraw/zinc/32/02/78/658320278.db2.gz IBPAYCSSKKLPCO-SNVBAGLBSA-N 0 0 387.918 1.862 10 0 GDAERN Cn1cc(CN2CCC[C@H](Cn3cncn3)C2)c(I)n1 ZINC000893870278 658471251 /nfs/dbraw/zinc/47/12/51/658471251.db2.gz XPSQFOAMLSROSG-NSHDSACASA-N 0 0 386.241 1.528 10 0 GDAERN Cc1[nH]nc(I)c1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000896409719 658776878 /nfs/dbraw/zinc/77/68/78/658776878.db2.gz LTRFEZMLNWCRKQ-VIFPVBQESA-N 0 0 385.209 1.686 10 0 GDAERN Cc1[nH]nc(I)c1C(=O)N(C)C[C@H]1CCn2ccnc2C1 ZINC000897473050 658855697 /nfs/dbraw/zinc/85/56/97/658855697.db2.gz QKQKKISPPXHQEO-JTQLQIEISA-N 0 0 399.236 1.854 10 0 GDAERN CC(C)(C)[C@@H](O)CNC(=O)Cn1nc(Br)c(Br)n1 ZINC000901072400 659186020 /nfs/dbraw/zinc/18/60/20/659186020.db2.gz QKFDZIOBGJWCKI-LURJTMIESA-N 0 0 384.072 1.326 10 0 GDAERN CS(=O)(=O)N1CC(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000907782481 659829848 /nfs/dbraw/zinc/82/98/48/659829848.db2.gz ZVJZNHQXZNCLNV-SECBINFHSA-N 0 0 380.392 1.026 10 0 GDAERN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000708531570 977432439 /nfs/dbraw/zinc/43/24/39/977432439.db2.gz JIJRKTPFCZNGBQ-YOEHRIQHSA-N 0 0 389.477 1.826 10 0 GDAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000708533239 977434484 /nfs/dbraw/zinc/43/44/84/977434484.db2.gz OUYHZLZTWUNBQQ-GDBMZVCRSA-N 0 0 391.493 1.770 10 0 GDAERN C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC000718109691 977950380 /nfs/dbraw/zinc/95/03/80/977950380.db2.gz GVMKPQUEAWQXFO-ROUUACIJSA-N 0 0 375.469 1.782 10 0 GDAERN CC(C)(CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)[O-] ZINC000720908852 978082662 /nfs/dbraw/zinc/08/26/62/978082662.db2.gz TWTDMYSKOWWVAY-UHFFFAOYSA-N 0 0 376.501 1.604 10 0 GDAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1Br)N1CCOCC1 ZINC000162632972 530569245 /nfs/dbraw/zinc/56/92/45/530569245.db2.gz YMDWPJVUWJRVOS-SNVBAGLBSA-N 0 0 388.237 1.364 10 0 GDAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000170763535 530588711 /nfs/dbraw/zinc/58/87/11/530588711.db2.gz UYZMRSWCCSEMGL-QWRGUYRKSA-N 0 0 379.214 1.660 10 0 GDAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)s1 ZINC000170887667 530590807 /nfs/dbraw/zinc/59/08/07/530590807.db2.gz NLAITUMZJFJVDQ-ZDUSSCGKSA-N 0 0 383.499 1.436 10 0 GDAERN Cn1cc([C@H]2CCCN2C(=O)c2nc3ncc(Br)cn3n2)cn1 ZINC000171347942 530598249 /nfs/dbraw/zinc/59/82/49/530598249.db2.gz VDTOLYROJYHAPB-LLVKDONJSA-N 0 0 376.218 1.598 10 0 GDAERN Cn1cc([C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000171348502 530598283 /nfs/dbraw/zinc/59/82/83/530598283.db2.gz FFWFBDIDLTYQMT-LLVKDONJSA-N 0 0 388.902 1.777 10 0 GDAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000171531885 530600339 /nfs/dbraw/zinc/60/03/39/530600339.db2.gz PKZWBDGHEDUKNW-OAHLLOKOSA-N 0 0 385.917 1.993 10 0 GDAERN O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000030675223 530600350 /nfs/dbraw/zinc/60/03/50/530600350.db2.gz WAQPTPNRHVBNEM-VXGBXAGGSA-N 0 0 379.404 1.987 10 0 GDAERN C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)[C@@H]1CCCO1 ZINC000032247304 530605119 /nfs/dbraw/zinc/60/51/19/530605119.db2.gz XHSMKXYZDPRETC-MFKMUULPSA-N 0 0 383.242 1.858 10 0 GDAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCC(Cn3cccn3)CC2)s1 ZINC000172341106 530612294 /nfs/dbraw/zinc/61/22/94/530612294.db2.gz GZNBHYZVYVLFEM-UHFFFAOYSA-N 0 0 383.499 1.214 10 0 GDAERN Cn1cc(CN2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)cn1 ZINC000173569361 530633016 /nfs/dbraw/zinc/63/30/16/530633016.db2.gz AKIBQAAYQWJFFI-UHFFFAOYSA-N 0 0 394.273 1.219 10 0 GDAERN O=C(NCCOc1ccc(Br)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173796199 530637274 /nfs/dbraw/zinc/63/72/74/530637274.db2.gz BHHMDJFAWGOKJU-OAHLLOKOSA-N 0 0 398.301 1.944 10 0 GDAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(Cl)nc3)C2=O)n(C)n1 ZINC000174043076 530642309 /nfs/dbraw/zinc/64/23/09/530642309.db2.gz IPZBAGLJFWLTAC-GFCCVEGCSA-N 0 0 383.861 1.251 10 0 GDAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000172746145 530617480 /nfs/dbraw/zinc/61/74/80/530617480.db2.gz ICIZTMGAGUEEPS-JTQLQIEISA-N 0 0 380.438 1.291 10 0 GDAERN CN(C)C(=O)CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000174690326 530653247 /nfs/dbraw/zinc/65/32/47/530653247.db2.gz ATVGJBCAYQPKGN-LLVKDONJSA-N 0 0 397.273 1.500 10 0 GDAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC1CCOCC1 ZINC000175211327 530660400 /nfs/dbraw/zinc/66/04/00/530660400.db2.gz NLQBOMBJAXYWMB-INIZCTEOSA-N 0 0 388.555 1.810 10 0 GDAERN COc1nc(N2CC[C@H](S(=O)(=O)N3CCCC3)C2)ncc1Br ZINC000178374829 530720187 /nfs/dbraw/zinc/72/01/87/530720187.db2.gz OPRBQWQIAKVJGP-JTQLQIEISA-N 0 0 391.291 1.252 10 0 GDAERN CN1CCCc2ccc(S(=O)(=O)NC3CCC(S(C)(=O)=O)CC3)cc21 ZINC000177151960 530697599 /nfs/dbraw/zinc/69/75/99/530697599.db2.gz DIXYZPIBBTWPSJ-UHFFFAOYSA-N 0 0 386.539 1.703 10 0 GDAERN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177343503 530701194 /nfs/dbraw/zinc/70/11/94/530701194.db2.gz HOTXPFXLOREIGJ-CYBMUJFWSA-N 0 0 383.861 1.540 10 0 GDAERN Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1Br ZINC000177607741 530707028 /nfs/dbraw/zinc/70/70/28/530707028.db2.gz XRRBOKBFMDODJX-QWHCGFSZSA-N 0 0 398.301 1.610 10 0 GDAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cc(Cn2cc(Br)cn2)on1 ZINC000179235608 530737278 /nfs/dbraw/zinc/73/72/78/530737278.db2.gz SOCIOOWHLQMEMT-GWCFXTLKSA-N 0 0 383.246 1.963 10 0 GDAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000179483152 530742011 /nfs/dbraw/zinc/74/20/11/530742011.db2.gz VFSIHOZRVHNZGH-UONOGXRCSA-N 0 0 376.210 1.557 10 0 GDAERN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1Br ZINC000179511400 530742597 /nfs/dbraw/zinc/74/25/97/530742597.db2.gz BYBCBZJITFFXFE-LLVKDONJSA-N 0 0 399.270 1.709 10 0 GDAERN CNC(=O)[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)C(C)C ZINC000178721346 530726196 /nfs/dbraw/zinc/72/61/96/530726196.db2.gz DZIACADNYGBGLH-GOEBONIOSA-N 0 0 398.301 1.903 10 0 GDAERN O=S(=O)(c1ccc(Cl)nc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178697301 530726276 /nfs/dbraw/zinc/72/62/76/530726276.db2.gz FGOVIWIXGBIMCQ-INIZCTEOSA-N 0 0 381.885 1.775 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)C(C)C ZINC000179077183 530734709 /nfs/dbraw/zinc/73/47/09/530734709.db2.gz NQCNKSKQOHYERB-LLVKDONJSA-N 0 0 390.665 1.928 10 0 GDAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(F)c(Br)c1 ZINC000179885792 530752582 /nfs/dbraw/zinc/75/25/82/530752582.db2.gz AXMYOXNFTKLQMS-LLVKDONJSA-N 0 0 376.226 1.403 10 0 GDAERN NS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cs1 ZINC000180142451 530759077 /nfs/dbraw/zinc/75/90/77/530759077.db2.gz FOFDJEQLNDSVQM-GWCFXTLKSA-N 0 0 388.417 1.622 10 0 GDAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000180247154 530761597 /nfs/dbraw/zinc/76/15/97/530761597.db2.gz SSJRMQKJAKUQDO-WFASDCNBSA-N 0 0 396.285 1.567 10 0 GDAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000179662291 530747415 /nfs/dbraw/zinc/74/74/15/530747415.db2.gz DVQVURUEZGWZAU-CABCVRRESA-N 0 0 377.268 1.226 10 0 GDAERN C[C@@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(Br)c1 ZINC000182579357 530801276 /nfs/dbraw/zinc/80/12/76/530801276.db2.gz ZPTXSXBZRNWJCY-SECBINFHSA-N 0 0 392.257 1.574 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)c1nnc(-c2ccccc2Cl)n1C ZINC000182816254 530805499 /nfs/dbraw/zinc/80/54/99/530805499.db2.gz RFAOBMAIUOVXIQ-UHFFFAOYSA-N 0 0 381.849 1.677 10 0 GDAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)cn1 ZINC000181689506 530789305 /nfs/dbraw/zinc/78/93/05/530789305.db2.gz VEVBSVJGTCUSLM-LBPRGKRZSA-N 0 0 376.269 1.457 10 0 GDAERN Cc1ccc(I)c(C(=O)N(C)CCS(C)(=O)=O)c1 ZINC000102755047 530829356 /nfs/dbraw/zinc/82/93/56/530829356.db2.gz TXFBEFRRSDGGAL-UHFFFAOYSA-N 0 0 381.235 1.716 10 0 GDAERN CNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3cccs3)CC2)cn1 ZINC000184963000 530834508 /nfs/dbraw/zinc/83/45/08/530834508.db2.gz WDBKNAREXSEOPL-UHFFFAOYSA-N 0 0 380.495 1.450 10 0 GDAERN C[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000185016574 530835301 /nfs/dbraw/zinc/83/53/01/530835301.db2.gz WLFRIGPBQVWANA-DOMZBBRYSA-N 0 0 380.491 1.361 10 0 GDAERN COc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)nc1Br ZINC000183033759 530808794 /nfs/dbraw/zinc/80/87/94/530808794.db2.gz DDLMEEQZNPELJS-UHFFFAOYSA-N 0 0 392.257 1.995 10 0 GDAERN C[C@@H](CC1CC1)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000183113205 530809068 /nfs/dbraw/zinc/80/90/68/530809068.db2.gz UYDYHPGGTBGIRB-PJODQICGSA-N 0 0 386.901 1.769 10 0 GDAERN Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1Cl ZINC000183194379 530811154 /nfs/dbraw/zinc/81/11/54/530811154.db2.gz LEZKIGFUDPPRSP-NSHDSACASA-N 0 0 384.893 1.917 10 0 GDAERN Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1Cl ZINC000183194357 530811536 /nfs/dbraw/zinc/81/15/36/530811536.db2.gz LEZKIGFUDPPRSP-LLVKDONJSA-N 0 0 384.893 1.917 10 0 GDAERN C[C@@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183347811 530813403 /nfs/dbraw/zinc/81/34/03/530813403.db2.gz WLFRIGPBQVWANA-SWLSCSKDSA-N 0 0 380.491 1.361 10 0 GDAERN COc1ccc([C@H]2[C@H](S(=O)(=O)N3CCSCC3)CON2C)cc1OC ZINC000096281756 530818181 /nfs/dbraw/zinc/81/81/81/530818181.db2.gz SCUSJEKARYJANA-CVEARBPZSA-N 0 0 388.511 1.369 10 0 GDAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000183746325 530819986 /nfs/dbraw/zinc/81/99/86/530819986.db2.gz AEKCYJCSDALKGX-GFCCVEGCSA-N 0 0 388.243 1.903 10 0 GDAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3c(Br)ccc(F)c3C2)C1 ZINC000186200584 530853084 /nfs/dbraw/zinc/85/30/84/530853084.db2.gz FXJWRACWBMRDKR-NSHDSACASA-N 0 0 398.276 1.670 10 0 GDAERN Cc1nc(CN2CCCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)cs1 ZINC000109652201 530863421 /nfs/dbraw/zinc/86/34/21/530863421.db2.gz VPYCNVRYZREIHQ-UHFFFAOYSA-N 0 0 385.555 1.843 10 0 GDAERN Cc1ncc(CN2CCN(C(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)s1 ZINC000110942805 530871233 /nfs/dbraw/zinc/87/12/33/530871233.db2.gz UUFJMFWBKGTKHO-WMLDXEAASA-N 0 0 380.539 1.550 10 0 GDAERN Cc1nnc([C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)c2ccccc2)[nH]1 ZINC000104403881 530838503 /nfs/dbraw/zinc/83/85/03/530838503.db2.gz NGVIZHCDKGPHHE-ZDUSSCGKSA-N 0 0 377.451 1.341 10 0 GDAERN COCC(=O)NC1CN(C(=O)CCOc2ccc(C)cc2Br)C1 ZINC000185288839 530839176 /nfs/dbraw/zinc/83/91/76/530839176.db2.gz NBNFNOYYKJBRAW-UHFFFAOYSA-N 0 0 385.258 1.500 10 0 GDAERN COCC(=O)NC1CN(C(=O)c2cc(C)ccc2I)C1 ZINC000185264287 530839557 /nfs/dbraw/zinc/83/95/57/530839557.db2.gz ZFTOEDASUGOFLQ-UHFFFAOYSA-N 0 0 388.205 1.187 10 0 GDAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Br)s1)CC2 ZINC000114874988 530897787 /nfs/dbraw/zinc/89/77/87/530897787.db2.gz WCOJLPQNNVUSFZ-MRVPVSSYSA-N 0 0 391.316 1.958 10 0 GDAERN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC[C@@H]1c1nccs1 ZINC000115363886 530899009 /nfs/dbraw/zinc/89/90/09/530899009.db2.gz WWXLMRFFSUNQNC-CYBMUJFWSA-N 0 0 378.479 1.694 10 0 GDAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000116551924 530905482 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Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000176283738 530681249 /nfs/dbraw/zinc/68/12/49/530681249.db2.gz YRJRVQGVHFGFPW-VIFPVBQESA-N 0 0 389.890 1.231 10 0 GDAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000175586593 530667288 /nfs/dbraw/zinc/66/72/88/530667288.db2.gz NBKZMKCTVLBNJK-LBPRGKRZSA-N 0 0 383.499 1.275 10 0 GDAERN C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176993185 530695753 /nfs/dbraw/zinc/69/57/53/530695753.db2.gz LCULKTCHJZLLGC-GWCFXTLKSA-N 0 0 380.297 1.730 10 0 GDAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000177523860 530704450 /nfs/dbraw/zinc/70/44/50/530704450.db2.gz JSSHPMHQEOJITL-AATRIKPKSA-N 0 0 386.905 1.468 10 0 GDAERN Cn1c(SCC(=O)N[C@@H]2CCCn3ncnc32)nnc1-c1cccs1 ZINC000177541053 530705685 /nfs/dbraw/zinc/70/56/85/530705685.db2.gz CSNXNRNZBSSFFO-SNVBAGLBSA-N 0 0 375.483 1.879 10 0 GDAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177629719 530706924 /nfs/dbraw/zinc/70/69/24/530706924.db2.gz BEBUUURABUYVSU-SECBINFHSA-N 0 0 394.229 1.119 10 0 GDAERN O=C(NCc1cc(F)cc(Br)c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178143576 530716177 /nfs/dbraw/zinc/71/61/77/530716177.db2.gz LWRSKKBMGXURKL-SNVBAGLBSA-N 0 0 381.205 1.981 10 0 GDAERN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178331717 530719424 /nfs/dbraw/zinc/71/94/24/530719424.db2.gz NKMJZISAPWUBPO-ABAIWWIYSA-N 0 0 379.210 1.546 10 0 GDAERN CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C(C)C ZINC000179129279 530735855 /nfs/dbraw/zinc/73/58/55/530735855.db2.gz CENGDLXCHNESMP-GZMMTYOYSA-N 0 0 390.303 1.516 10 0 GDAERN CNC(=O)[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C(C)C ZINC000178703122 530726161 /nfs/dbraw/zinc/72/61/61/530726161.db2.gz VFXXOOYYQDTYHZ-CQSZACIVSA-N 0 0 380.242 1.791 10 0 GDAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(C)C ZINC000178838741 530728725 /nfs/dbraw/zinc/72/87/25/530728725.db2.gz GBKOYBWFPWPUIH-IAQYHMDHSA-N 0 0 396.285 1.689 10 0 GDAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)C(C)C ZINC000179079994 530734767 /nfs/dbraw/zinc/73/47/67/530734767.db2.gz MWRSVVRRVPIUOL-LLVKDONJSA-N 0 0 390.665 1.928 10 0 GDAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000180047243 530755544 /nfs/dbraw/zinc/75/55/44/530755544.db2.gz MPPYHTBMLCFQRI-SECBINFHSA-N 0 0 392.200 1.113 10 0 GDAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000180224916 530760460 /nfs/dbraw/zinc/76/04/60/530760460.db2.gz IYLTUFFSVLJEQU-GFCCVEGCSA-N 0 0 384.223 1.959 10 0 GDAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000180276083 530762708 /nfs/dbraw/zinc/76/27/08/530762708.db2.gz FDLZFTZWEFCHKX-OAHLLOKOSA-N 0 0 393.237 1.694 10 0 GDAERN O=C(Nc1cccnc1Br)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000179755230 530749189 /nfs/dbraw/zinc/74/91/89/530749189.db2.gz JFCNJDXPCBDCAO-UHFFFAOYSA-N 0 0 392.257 1.918 10 0 GDAERN CC(C)Oc1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000180721870 530770925 /nfs/dbraw/zinc/77/09/25/530770925.db2.gz DOGIMKQFIPBPTQ-CYBMUJFWSA-N 0 0 380.388 1.915 10 0 GDAERN NC(=O)[C@H]1COCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180942014 530774969 /nfs/dbraw/zinc/77/49/69/530774969.db2.gz WALGYWMNLKPMOL-LLVKDONJSA-N 0 0 397.678 1.118 10 0 GDAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Cl)cn1 ZINC000181415187 530782638 /nfs/dbraw/zinc/78/26/38/530782638.db2.gz ZZNPFJIRNMDIPB-HNNXBMFYSA-N 0 0 382.873 1.264 10 0 GDAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[C@@H](C)C2 ZINC000180600959 530768519 /nfs/dbraw/zinc/76/85/19/530768519.db2.gz MUPZAVGPJMWOJK-YVEFUNNKSA-N 0 0 380.491 1.854 10 0 GDAERN O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000182707200 530803588 /nfs/dbraw/zinc/80/35/88/530803588.db2.gz HSVCBAFLOPMYAW-CYBMUJFWSA-N 0 0 376.425 1.426 10 0 GDAERN NS(=O)(=O)CC1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000104118139 530837035 /nfs/dbraw/zinc/83/70/35/530837035.db2.gz UAJPRTLXFNQXFJ-UHFFFAOYSA-N 0 0 382.873 1.666 10 0 GDAERN C[C@@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccccc1Br ZINC000182937567 530808063 /nfs/dbraw/zinc/80/80/63/530808063.db2.gz ZJQDZQLJXYJVBU-SNVBAGLBSA-N 0 0 378.226 1.964 10 0 GDAERN NC(=O)[C@H]1CCCN(C(=O)COc2c(F)cc(F)cc2Br)C1 ZINC000182981128 530808840 /nfs/dbraw/zinc/80/88/40/530808840.db2.gz BICQCFHRYAHPEE-QMMMGPOBSA-N 0 0 377.185 1.830 10 0 GDAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000183677913 530819385 /nfs/dbraw/zinc/81/93/85/530819385.db2.gz XRGLBXPMFCYZGL-LBPRGKRZSA-N 0 0 386.836 1.383 10 0 GDAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184092187 530824644 /nfs/dbraw/zinc/82/46/44/530824644.db2.gz FEGMMCVSPMDGJL-UWVGGRQHSA-N 0 0 375.372 1.380 10 0 GDAERN Cc1cnn(C[C@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3)CCO2)c1 ZINC000106194462 530846718 /nfs/dbraw/zinc/84/67/18/530846718.db2.gz VKIBGTPFMPHCEY-CVEARBPZSA-N 0 0 393.285 1.881 10 0 GDAERN C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)c1cccc(Br)c1 ZINC000108442524 530857230 /nfs/dbraw/zinc/85/72/30/530857230.db2.gz SZUMGXBNULAESO-JTQLQIEISA-N 0 0 383.246 1.751 10 0 GDAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CCCS(C)(=O)=O)CC1 ZINC000108815285 530859473 /nfs/dbraw/zinc/85/94/73/530859473.db2.gz FIRQRZJVFISLLE-UHFFFAOYSA-N 0 0 390.937 1.105 10 0 GDAERN Cc1nnc([C@H](NC(=O)c2csc(S(N)(=O)=O)c2)c2ccccc2)[nH]1 ZINC000104403879 530838708 /nfs/dbraw/zinc/83/87/08/530838708.db2.gz NGVIZHCDKGPHHE-CYBMUJFWSA-N 0 0 377.451 1.341 10 0 GDAERN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC(NC(=O)COC)C1 ZINC000185291819 530839095 /nfs/dbraw/zinc/83/90/95/530839095.db2.gz XEBOEGSZWAWYKD-LBPRGKRZSA-N 0 0 383.286 1.991 10 0 GDAERN COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000185506474 530843350 /nfs/dbraw/zinc/84/33/50/530843350.db2.gz DDUVQBGNCGERCD-KCJUWKMLSA-N 0 0 380.750 1.906 10 0 GDAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cn1 ZINC000116159663 530903105 /nfs/dbraw/zinc/90/31/05/530903105.db2.gz MTMWSHFIPUVVFQ-INIZCTEOSA-N 0 0 383.495 1.491 10 0 GDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)co1 ZINC000187639244 530876006 /nfs/dbraw/zinc/87/60/06/530876006.db2.gz COHVVLCCBVEISU-KBPBESRZSA-N 0 0 384.479 1.440 10 0 GDAERN COCC(=O)NC1CN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000187714288 530876683 /nfs/dbraw/zinc/87/66/83/530876683.db2.gz MRZYTCWHLTVMMA-VOTSOKGWSA-N 0 0 389.271 1.196 10 0 GDAERN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ncn(C)c3Cl)CC2)n1 ZINC000112093308 530878135 /nfs/dbraw/zinc/87/81/35/530878135.db2.gz HHPHOVCAYWVYME-SNVBAGLBSA-N 0 0 388.881 1.086 10 0 GDAERN O=C(NC1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1)C1CC1 ZINC000187926418 530880697 /nfs/dbraw/zinc/88/06/97/530880697.db2.gz ZHXBVCACJCLKKP-UHFFFAOYSA-N 0 0 395.225 1.626 10 0 GDAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187982788 530882220 /nfs/dbraw/zinc/88/22/20/530882220.db2.gz HRJMKUDDFCHXFN-UHFFFAOYSA-N 0 0 398.232 1.572 10 0 GDAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188144511 530886424 /nfs/dbraw/zinc/88/64/24/530886424.db2.gz OEMPDKIIJBPKCE-GFCCVEGCSA-N 0 0 386.290 1.690 10 0 GDAERN COc1nc(C)c(Br)cc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000188178565 530887703 /nfs/dbraw/zinc/88/77/03/530887703.db2.gz FMOAVWQHOHZRJE-ABAIWWIYSA-N 0 0 398.301 1.954 10 0 GDAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000188435680 530894267 /nfs/dbraw/zinc/89/42/67/530894267.db2.gz HQBIESMRQYLOOK-LBPRGKRZSA-N 0 0 396.481 1.413 10 0 GDAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000188425591 530894277 /nfs/dbraw/zinc/89/42/77/530894277.db2.gz KFEYCWWEJYGSNN-UHFFFAOYSA-N 0 0 398.301 1.883 10 0 GDAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190443118 530930484 /nfs/dbraw/zinc/93/04/84/530930484.db2.gz XEFICJKBZTWHDI-UHFFFAOYSA-N 0 0 380.495 1.648 10 0 GDAERN Cc1nn(C)c2sc(C(=O)N3CC[C@H](S(=O)(=O)N4CCCC4)C3)cc12 ZINC000119889651 530932700 /nfs/dbraw/zinc/93/27/00/530932700.db2.gz QKKYCEKPCKFAJA-LBPRGKRZSA-N 0 0 382.511 1.583 10 0 GDAERN O=C(Cc1cc(F)c(F)cc1F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120032068 530934822 /nfs/dbraw/zinc/93/48/22/530934822.db2.gz RAOFMKKWNZYMIK-GFCCVEGCSA-N 0 0 376.400 1.673 10 0 GDAERN O=C(NC1CN(C(=O)c2csc(I)c2)C1)C1CC1 ZINC000189369111 530911879 /nfs/dbraw/zinc/91/18/79/530911879.db2.gz KCPDLFOAWXKSTP-UHFFFAOYSA-N 0 0 376.219 1.703 10 0 GDAERN Cc1cc(Br)c2c(c1)CN(C(=O)C1CC3(C1)NC(=O)NC3=O)CC2 ZINC000189524382 530914920 /nfs/dbraw/zinc/91/49/20/530914920.db2.gz HEXZIPJLLZUXPE-UHFFFAOYSA-N 0 0 392.253 1.630 10 0 GDAERN CN(C)c1ccc(Br)c(S(=O)(=O)N(C)CC2CC(O)C2)c1 ZINC000190603552 530934446 /nfs/dbraw/zinc/93/44/46/530934446.db2.gz LTCYBJJDPWVWAG-UHFFFAOYSA-N 0 0 377.304 1.907 10 0 GDAERN Cc1cccc(I)c1C(=O)N1CCCN(C(N)=O)CC1 ZINC000119388749 530925617 /nfs/dbraw/zinc/92/56/17/530925617.db2.gz YGYDRFVFFMLJRB-UHFFFAOYSA-N 0 0 387.221 1.826 10 0 GDAERN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000190162052 530925815 /nfs/dbraw/zinc/92/58/15/530925815.db2.gz BJFHOCWURGRFSH-LBPRGKRZSA-N 0 0 383.242 1.477 10 0 GDAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1cc(Br)nn1C ZINC000190683029 530935376 /nfs/dbraw/zinc/93/53/76/530935376.db2.gz YMSMATCOLCLXTK-AWEZNQCLSA-N 0 0 395.232 1.943 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)c2ccncc2I)C[C@@H](C)O1 ZINC000120183684 530937096 /nfs/dbraw/zinc/93/70/96/530937096.db2.gz LFFSWCVDMGTHQS-LDYMZIIASA-N 0 0 390.177 1.089 10 0 GDAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1Br ZINC000190984276 530941273 /nfs/dbraw/zinc/94/12/73/530941273.db2.gz CTYULBNWRJYBCO-SECBINFHSA-N 0 0 377.260 1.357 10 0 GDAERN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000120617758 530943110 /nfs/dbraw/zinc/94/31/10/530943110.db2.gz RLFHNLMFOSNLTM-NWDGAFQWSA-N 0 0 376.475 1.086 10 0 GDAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000120961991 530947824 /nfs/dbraw/zinc/94/78/24/530947824.db2.gz OXWLYHQOWSNVQV-GFCCVEGCSA-N 0 0 382.258 1.823 10 0 GDAERN Cc1noc([C@@H]2COCCN2C(=O)c2cnn3cc(Br)cnc23)n1 ZINC000120978495 530948786 /nfs/dbraw/zinc/94/87/86/530948786.db2.gz AHJVWOHUPANGMS-NSHDSACASA-N 0 0 393.201 1.397 10 0 GDAERN Cc1csc(C(=O)N[C@H]2CCc3ncnn3C2)c1I ZINC000191601071 530950999 /nfs/dbraw/zinc/95/09/99/530950999.db2.gz BQLJRQYJSDJEKI-QMMMGPOBSA-N 0 0 388.234 1.997 10 0 GDAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000191646368 530952112 /nfs/dbraw/zinc/95/21/12/530952112.db2.gz XXGWHXDNSCEFIM-AAEUAGOBSA-N 0 0 386.436 1.616 10 0 GDAERN C[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000123260395 530981369 /nfs/dbraw/zinc/98/13/69/530981369.db2.gz HFZLWAVXBCTQHY-QWRGUYRKSA-N 0 0 378.903 1.802 10 0 GDAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1C ZINC000193277146 530982703 /nfs/dbraw/zinc/98/27/03/530982703.db2.gz HUISGWRBGNRZPD-LLVKDONJSA-N 0 0 399.289 1.270 10 0 GDAERN CCCCOC[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000193357888 530984769 /nfs/dbraw/zinc/98/47/69/530984769.db2.gz NCCRDWJTDGNNBB-OAHLLOKOSA-N 0 0 390.933 1.824 10 0 GDAERN CCOc1c(Br)cc(C(=O)NC[C@H]2CN(C)CCO2)cc1OC ZINC000194637848 531007625 /nfs/dbraw/zinc/00/76/25/531007625.db2.gz YTOFLPVKNMPNCW-LBPRGKRZSA-N 0 0 387.274 1.917 10 0 GDAERN CN1CCO[C@@H](CNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000194631142 531007916 /nfs/dbraw/zinc/00/79/16/531007916.db2.gz YALMULUSVMQPCG-NSHDSACASA-N 0 0 377.666 1.928 10 0 GDAERN C[C@@H](NC(=O)c1ncccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000194885399 531012010 /nfs/dbraw/zinc/01/20/10/531012010.db2.gz BSQWPCKDWBEOSD-SECBINFHSA-N 0 0 384.255 1.983 10 0 GDAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000125971648 531013588 /nfs/dbraw/zinc/01/35/88/531013588.db2.gz NOWGPZFGTSFSTK-LLVKDONJSA-N 0 0 383.861 1.406 10 0 GDAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@@H]3C2)ccc1Cl ZINC000195044135 531014298 /nfs/dbraw/zinc/01/42/98/531014298.db2.gz RIQYRQCGSJFBDW-CQSZACIVSA-N 0 0 385.917 1.901 10 0 GDAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000126298759 531017103 /nfs/dbraw/zinc/01/71/03/531017103.db2.gz UUMMLQBBZWBGBG-GFCCVEGCSA-N 0 0 375.288 1.999 10 0 GDAERN Cc1csc([C@@H]2CN(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)CCO2)n1 ZINC000195384792 531022074 /nfs/dbraw/zinc/02/20/74/531022074.db2.gz MZLOBGKGFYSNRQ-HOTGVXAUSA-N 0 0 382.507 1.962 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000195429400 531022467 /nfs/dbraw/zinc/02/24/67/531022467.db2.gz CMFORBFFUXNHTJ-NSHDSACASA-N 0 0 385.877 1.527 10 0 GDAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000195428383 531022496 /nfs/dbraw/zinc/02/24/96/531022496.db2.gz LUAXUNZEJXGQDG-LLVKDONJSA-N 0 0 385.877 1.527 10 0 GDAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000127621237 531031968 /nfs/dbraw/zinc/03/19/68/531031968.db2.gz MHUCHZRECOEMNJ-ZDUSSCGKSA-N 0 0 386.279 1.703 10 0 GDAERN Cc1nnc([C@@H]2CN(C(=O)c3cncc(I)c3)CCO2)[nH]1 ZINC000124944735 531001179 /nfs/dbraw/zinc/00/11/79/531001179.db2.gz XCCJTTMXWFLZNA-NSHDSACASA-N 0 0 399.192 1.326 10 0 GDAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@H](N2CCOCC2)C1 ZINC000194356624 531003833 /nfs/dbraw/zinc/00/38/33/531003833.db2.gz DJEXNBZEZDLEMQ-HOCLYGCPSA-N 0 0 381.270 1.686 10 0 GDAERN 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ISBHYQGYNGHNES-UHFFFAOYSA-N 0 0 395.467 1.624 10 0 GDAERN CC1=C(C(=O)OC(C)C)[C@]2(c3ccccc3-c3oc(N)nc32)C(=O)N1CC(N)=O ZINC000020569044 221499739 /nfs/dbraw/zinc/49/97/39/221499739.db2.gz NMSMAYROWBMJFC-FQEVSTJZSA-N 0 0 396.403 1.076 10 0 GDAERN Cn1c(=O)c(N2CCN(C(=O)NCCc3ccccc3)CC2)nc2cccnc21 ZINC000064567532 136156955 /nfs/dbraw/zinc/15/69/55/136156955.db2.gz BKMYIAVAUIAFBU-UHFFFAOYSA-N 0 0 392.463 1.403 10 0 GDAERN COCCCNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 ZINC000064928592 136158255 /nfs/dbraw/zinc/15/82/55/136158255.db2.gz YUVKVUPVHVYVSH-HNNXBMFYSA-N 0 0 388.443 1.741 10 0 GDAERN O=C(Cn1ccc2ccc(N3CCOCC3)nc21)N1CCC2(CC1)OCCO2 ZINC000065212004 136160173 /nfs/dbraw/zinc/16/01/73/136160173.db2.gz WXLDOZCYFHZHFZ-UHFFFAOYSA-N 0 0 386.452 1.238 10 0 GDAERN CCOc1cc(=O)c(C(=O)N2CCSCC2)nn1-c1ccc(OC)cc1 ZINC000065198367 222109363 /nfs/dbraw/zinc/10/93/63/222109363.db2.gz JMPYBBAFHCGFIG-UHFFFAOYSA-N 0 0 375.450 1.829 10 0 GDAERN CCOC(=O)[C@@H](C)NC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064893899 222087845 /nfs/dbraw/zinc/08/78/45/222087845.db2.gz ZJMPTQZJSNITCH-CYBMUJFWSA-N 0 0 399.451 1.692 10 0 GDAERN CC[C@@H](C)NC(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 ZINC000064979084 222092031 /nfs/dbraw/zinc/09/20/31/222092031.db2.gz BOSFLRFVROKKRF-MRXNPFEDSA-N 0 0 386.496 1.830 10 0 GDAERN CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NS(=O)(=O)[O-])cc1OC ZINC000065747768 222136030 /nfs/dbraw/zinc/13/60/30/222136030.db2.gz ZHMTXLHHLGRAPZ-UHFFFAOYSA-N 0 0 379.866 1.635 10 0 in-vitro GDAERN CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)on2)CN1Cc1scnc1C ZINC000096136612 222385714 /nfs/dbraw/zinc/38/57/14/222385714.db2.gz PPGVIKLKPAEZDE-JSGCOSHPSA-N 0 0 377.470 1.257 10 0 GDAERN CCCS(=O)(=O)c1ccc(N2CCN(c3cccc(OC)c3)CC2)nn1 ZINC000064942880 535307397 /nfs/dbraw/zinc/30/73/97/535307397.db2.gz MORKFDKDVJQVJM-UHFFFAOYSA-N 0 0 376.482 1.996 10 0 GDAERN Cc1cccc(CN2CCCn3nc(C(=O)NCCc4c[nH]cn4)cc3C2=O)c1 ZINC000035429369 570356573 /nfs/dbraw/zinc/35/65/73/570356573.db2.gz MSFARFPSXSCKET-UHFFFAOYSA-N 0 0 392.463 1.933 10 0 GDAERN CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H]2O[C@H](c3ccccc3)O[C@@H]2[C@H]1OC(C)=O ZINC000005639398 570449875 /nfs/dbraw/zinc/44/98/75/570449875.db2.gz WSOMWUUFNUAQLU-RPVYPSMYSA-N 0 0 394.376 1.252 10 0 GDAERN Cc1ccccc1[C@@H](C)NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000408474437 570467025 /nfs/dbraw/zinc/46/70/25/570467025.db2.gz XASSADPDYLPZIO-PBHICJAKSA-N 0 0 376.482 1.971 10 0 GDAERN COCCn1cc(C[C@H]2NC(=O)N(CCc3c(F)cccc3Cl)C2=O)nn1 ZINC000328609149 570514787 /nfs/dbraw/zinc/51/47/87/570514787.db2.gz CIXBLVFMRUQGKT-OAHLLOKOSA-N 0 0 395.822 1.627 10 0 GDAERN Cc1noc([C@@H]2CC[C@H](CN(Cc3noc4c3CCCC4)S(C)(=O)=O)O2)n1 ZINC000328612547 570563252 /nfs/dbraw/zinc/56/32/52/570563252.db2.gz PAUYYRKYSZFBIL-WBMJQRKESA-N 0 0 396.469 1.927 10 0 GDAERN Cn1ncc2c1nc(C(=O)NCCc1cccs1)nc2N1CCSCC1 ZINC000065257211 570756116 /nfs/dbraw/zinc/75/61/16/570756116.db2.gz QTFMPCABYGIHRR-UHFFFAOYSA-N 0 0 388.522 1.951 10 0 GDAERN O=S(=O)(c1cc(Br)sc1Br)N1CCNCC1 ZINC000037463890 644320425 /nfs/dbraw/zinc/32/04/25/644320425.db2.gz YTFXQJFCZRTBHK-UHFFFAOYSA-N 0 0 390.122 1.867 10 0 GDAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(Cn2cc(Br)cn2)CC1 ZINC000103461566 644602908 /nfs/dbraw/zinc/60/29/08/644602908.db2.gz KTNVYHFJBXTPGH-ZDUSSCGKSA-N 0 0 384.322 1.668 10 0 GDAERN C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccccc1Br ZINC000126522246 644720709 /nfs/dbraw/zinc/72/07/09/644720709.db2.gz SLBHFAWXPDPBCU-MNOVXSKESA-N 0 0 375.288 1.403 10 0 GDAERN CCN(C(=O)[C@@H]1CNC(=O)C1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000171502319 644876057 /nfs/dbraw/zinc/87/60/57/644876057.db2.gz NGQSTRUHGQRURN-JTQLQIEISA-N 0 0 389.271 1.431 10 0 GDAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)C1 ZINC000188556805 645006563 /nfs/dbraw/zinc/00/65/63/645006563.db2.gz QCTPZIOIPURIMV-UHFFFAOYSA-N 0 0 375.244 1.161 10 0 GDAERN COC(=O)[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1C ZINC000230901082 645077905 /nfs/dbraw/zinc/07/79/05/645077905.db2.gz CERHPHMQDBLPON-WPRPVWTQSA-N 0 0 389.189 1.878 10 0 GDAERN CC[C@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)CCN1C[C@H](C)O ZINC000247036526 645097542 /nfs/dbraw/zinc/09/75/42/645097542.db2.gz XSYZBQJGAWADJC-QWRGUYRKSA-N 0 0 396.481 1.662 10 0 GDAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000328826097 645280086 /nfs/dbraw/zinc/28/00/86/645280086.db2.gz QDEWSTKWDLEOFD-KGLIPLIRSA-N 0 0 384.523 1.778 10 0 GDAERN Cc1nc(S(=O)(=O)N2C[C@@H](c3cnn(C(C)C)c3)[C@H](CO)C2)sc1C ZINC000328920344 645289029 /nfs/dbraw/zinc/28/90/29/645289029.db2.gz LUENVZKXLNUTGD-GJZGRUSLSA-N 0 0 384.527 1.934 10 0 GDAERN O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329842901 645332310 /nfs/dbraw/zinc/33/23/10/645332310.db2.gz PCSCXEYVYUBMRR-FRRDWIJNSA-N 0 0 383.495 1.479 10 0 GDAERN Cc1csc(S(=O)(=O)N2CCOC[C@@H]2c2ncn(CC(F)(F)F)n2)c1 ZINC000577824650 651755300 /nfs/dbraw/zinc/75/53/00/651755300.db2.gz RXHOCZJQTWEJMG-SNVBAGLBSA-N 0 0 396.416 1.973 10 0 GDAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2Br)C1 ZINC000702814781 654833005 /nfs/dbraw/zinc/83/30/05/654833005.db2.gz LSZKVMNCKRZEQA-GXSJLCMTSA-N 0 0 389.246 2.000 10 0 GDAERN Cc1ccc(-n2cnnc2SCC(=O)N2CCOC[C@@H]2CO)cc1Cl ZINC000912428282 660036731 /nfs/dbraw/zinc/03/67/31/660036731.db2.gz RPLLOFGIQDTQJC-ZDUSSCGKSA-N 0 0 382.873 1.541 10 0 GDAERN CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)CN1CSCCSC1 ZINC000912531196 660041179 /nfs/dbraw/zinc/04/11/79/660041179.db2.gz VNWKWKUKGLJJNX-MLGOLLRUSA-N 0 0 383.543 1.036 10 0 GDAERN CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)CN1CSCCSC1 ZINC000912531194 660041284 /nfs/dbraw/zinc/04/12/84/660041284.db2.gz VNWKWKUKGLJJNX-BLLLJJGKSA-N 0 0 383.543 1.036 10 0 GDAERN