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ZINC001193544200 1068915658 /nfs/dbraw/zinc/91/56/58/1068915658.db2.gz IXCROPSBFGLPBO-GJZGRUSLSA-N -1 3 495.620 -0.488 20 30 JBEDHM CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)c1nc(C)ccc1[O-])C(=O)OCC ZINC001195336399 1068928167 /nfs/dbraw/zinc/92/81/67/1068928167.db2.gz ZLMZRERBBUJDEH-KBPBESRZSA-N -1 3 498.558 -0.369 20 30 JBEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1C#N ZINC001201322285 1068967861 /nfs/dbraw/zinc/96/78/61/1068967861.db2.gz HUUUVRCBSSCRAQ-LCWAXJCOSA-N -1 3 450.469 -0.154 20 30 JBEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1C#N ZINC001201323526 1068967937 /nfs/dbraw/zinc/96/79/37/1068967937.db2.gz HUUUVRCBSSCRAQ-SLHNCBLASA-N -1 3 450.469 -0.154 20 30 JBEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)ccc1F ZINC001259419271 1069744556 /nfs/dbraw/zinc/74/45/56/1069744556.db2.gz RCYSSDMFWBFXHE-GFEQUFNTSA-N -1 3 454.432 -0.323 20 30 JBEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)ccc1F ZINC001259419272 1069744734 /nfs/dbraw/zinc/74/47/34/1069744734.db2.gz RCYSSDMFWBFXHE-ICBNADEASA-N -1 3 454.432 -0.323 20 30 JBEDHM C=CCS(=O)(=O)[N-][C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001259935147 1069757009 /nfs/dbraw/zinc/75/70/09/1069757009.db2.gz PQEGRTPNTNPTHC-VDHUWJSZSA-N -1 3 465.484 -0.153 20 30 JBEDHM O=C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001260305858 1069764185 /nfs/dbraw/zinc/76/41/85/1069764185.db2.gz QTMPHYDUQWGDGF-LUTQBAROSA-N -1 3 477.127 -0.868 20 30 JBEDHM O=C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001260887317 1069779674 /nfs/dbraw/zinc/77/96/74/1069779674.db2.gz JKWHBJBAVKJQSY-LUTQBAROSA-N -1 3 466.228 -0.611 20 30 JBEDHM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001271886218 1067945794 /nfs/dbraw/zinc/94/57/94/1067945794.db2.gz VUZAETWWGRXPFX-UHFFFAOYSA-N -1 3 457.530 -0.306 20 30 JBEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)ccc1F ZINC001296998732 1070026455 /nfs/dbraw/zinc/02/64/55/1070026455.db2.gz VXJIGXVXZMHXFV-HNNXBMFYSA-N -1 3 457.480 -0.190 20 30 JBEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)ccc1F ZINC001296998735 1070026473 /nfs/dbraw/zinc/02/64/73/1070026473.db2.gz VXJIGXVXZMHXFV-OAHLLOKOSA-N -1 3 457.480 -0.190 20 30 JBEDHM C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001302924497 1070231073 /nfs/dbraw/zinc/23/10/73/1070231073.db2.gz NMDIOLBWPCLHFC-AWEZNQCLSA-N -1 3 453.546 -0.885 20 30 JBEDHM C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001302924498 1070230878 /nfs/dbraw/zinc/23/08/78/1070230878.db2.gz NMDIOLBWPCLHFC-CQSZACIVSA-N -1 3 453.546 -0.885 20 30 JBEDHM Cn1c(CCC(=O)N[C@H]2CCN([O-])C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001556750006 1069258257 /nfs/dbraw/zinc/25/82/57/1069258257.db2.gz WMHGZADBYMPLIQ-AWEZNQCLSA-N -1 3 451.505 -0.367 20 30 JBEDHM Cn1c(CCC(=O)N[C@@H]2CCN([O-])C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001556750007 1069258094 /nfs/dbraw/zinc/25/80/94/1069258094.db2.gz WMHGZADBYMPLIQ-CQSZACIVSA-N -1 3 451.505 -0.367 20 30 JBEDHM Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c3ccccc31)C2 ZINC001558751483 1069268924 /nfs/dbraw/zinc/26/89/24/1069268924.db2.gz OGQAMUFDMAGSEG-IUODEOHRSA-N -1 3 459.532 -0.097 20 30 JBEDHM Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c3ccccc31)C2 ZINC001558751484 1069268797 /nfs/dbraw/zinc/26/87/97/1069268797.db2.gz OGQAMUFDMAGSEG-SWLSCSKDSA-N -1 3 459.532 -0.097 20 30 JBEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001584662180 1069310024 /nfs/dbraw/zinc/31/00/24/1069310024.db2.gz ZBQRNARMDAYJND-AWEZNQCLSA-N -1 3 456.546 -0.622 20 30 JBEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001584662181 1069309897 /nfs/dbraw/zinc/30/98/97/1069309897.db2.gz ZBQRNARMDAYJND-CQSZACIVSA-N -1 3 456.546 -0.622 20 30 JBEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001586605656 1069315587 /nfs/dbraw/zinc/31/55/87/1069315587.db2.gz RDBYPMCRULRGGT-HNNXBMFYSA-N -1 3 457.578 -0.253 20 30 JBEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001586605657 1069315720 /nfs/dbraw/zinc/31/57/20/1069315720.db2.gz RDBYPMCRULRGGT-OAHLLOKOSA-N -1 3 457.578 -0.253 20 30 JBEDHM CNS(=O)(=O)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001623952435 1069702733 /nfs/dbraw/zinc/70/27/33/1069702733.db2.gz QVTRRYXEFWJXKV-HNNXBMFYSA-N -1 3 457.578 -0.252 20 30 JBEDHM CNS(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001623952436 1069702818 /nfs/dbraw/zinc/70/28/18/1069702818.db2.gz QVTRRYXEFWJXKV-OAHLLOKOSA-N -1 3 457.578 -0.252 20 30 JBEDHM COCCNC(=O)CN1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001624491368 1069706087 /nfs/dbraw/zinc/70/60/87/1069706087.db2.gz QQGLKMULCWTXBN-HNNXBMFYSA-N -1 3 451.549 -0.590 20 30 JBEDHM COCCNC(=O)CN1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001624491369 1069705917 /nfs/dbraw/zinc/70/59/17/1069705917.db2.gz QQGLKMULCWTXBN-OAHLLOKOSA-N -1 3 451.549 -0.590 20 30 JBEDHM CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001625753104 1069713540 /nfs/dbraw/zinc/71/35/40/1069713540.db2.gz NBJCDXDFXIAUPT-UHFFFAOYSA-N -1 3 457.512 -0.384 20 30 JBEDHM COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001625965314 1067949144 /nfs/dbraw/zinc/94/91/44/1067949144.db2.gz VARWWRRVWQAPAF-AAEUAGOBSA-N -1 3 454.530 -0.306 20 30 JBEDHM COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001625965315 1067949287 /nfs/dbraw/zinc/94/92/87/1067949287.db2.gz VARWWRRVWQAPAF-YPMHNXCESA-N -1 3 454.530 -0.306 20 30 JBEDHM CN(C)S(=O)(=O)N[C@@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCC1 ZINC001626236072 1069714255 /nfs/dbraw/zinc/71/42/55/1069714255.db2.gz VFCYYJNUMOLUDK-HNNXBMFYSA-N -1 3 457.578 -0.204 20 30 JBEDHM CN(C)S(=O)(=O)N[C@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCC1 ZINC001626236073 1069714465 /nfs/dbraw/zinc/71/44/65/1069714465.db2.gz VFCYYJNUMOLUDK-OAHLLOKOSA-N -1 3 457.578 -0.204 20 30 JBEDHM C[C@H](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001628699384 1069732615 /nfs/dbraw/zinc/73/26/15/1069732615.db2.gz KMFRGPMEMHWTGX-CABCVRRESA-N -1 3 454.574 -0.165 20 30 JBEDHM C[C@H](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001628699385 1069732508 /nfs/dbraw/zinc/73/25/08/1069732508.db2.gz KMFRGPMEMHWTGX-HUUCEWRRSA-N -1 3 454.574 -0.165 20 30 JBEDHM CC(C)OCCS(=O)(=O)N1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001629220232 1069735772 /nfs/dbraw/zinc/73/57/72/1069735772.db2.gz UBWNCCYOPURKPS-UHFFFAOYSA-N -1 3 458.562 -0.376 20 30 JBEDHM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001631775835 1069752741 /nfs/dbraw/zinc/75/27/41/1069752741.db2.gz BCOBJAJHIZHRHE-CHWSQXEVSA-N -1 3 457.530 -0.308 20 30 JBEDHM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001631775836 1069752635 /nfs/dbraw/zinc/75/26/35/1069752635.db2.gz BCOBJAJHIZHRHE-QWHCGFSZSA-N -1 3 457.530 -0.308 20 30 JBEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1F ZINC001634302453 1069773656 /nfs/dbraw/zinc/77/36/56/1069773656.db2.gz PZMHDBQFLJNOPO-INIZCTEOSA-N -1 3 454.524 -0.047 20 30 JBEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1F ZINC001634302454 1069773727 /nfs/dbraw/zinc/77/37/27/1069773727.db2.gz PZMHDBQFLJNOPO-MRXNPFEDSA-N -1 3 454.524 -0.047 20 30 JBEDHM COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H]3CCN([O-])C3=O)CC2)cc1 ZINC001637460745 1069795600 /nfs/dbraw/zinc/79/56/00/1069795600.db2.gz XPIKYEIFPBORSC-INIZCTEOSA-N -1 3 454.505 -0.585 20 30 JBEDHM COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H]3CCN([O-])C3=O)CC2)cc1 ZINC001637460746 1069795673 /nfs/dbraw/zinc/79/56/73/1069795673.db2.gz XPIKYEIFPBORSC-MRXNPFEDSA-N -1 3 454.505 -0.585 20 30 JBEDHM CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001637853013 1069796705 /nfs/dbraw/zinc/79/67/05/1069796705.db2.gz ZLXHQYRQVMQINR-CYBMUJFWSA-N -1 3 457.530 -0.308 20 30 JBEDHM CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001637853014 1069796677 /nfs/dbraw/zinc/79/66/77/1069796677.db2.gz ZLXHQYRQVMQINR-ZDUSSCGKSA-N -1 3 457.530 -0.308 20 30 JBEDHM CC(C)NS(=O)(=O)N1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001638883698 1069804872 /nfs/dbraw/zinc/80/48/72/1069804872.db2.gz WGTLTAIHPIYHDH-AWEZNQCLSA-N -1 3 457.578 -0.109 20 30 JBEDHM CC(C)NS(=O)(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001638883699 1069805073 /nfs/dbraw/zinc/80/50/73/1069805073.db2.gz WGTLTAIHPIYHDH-CQSZACIVSA-N -1 3 457.578 -0.109 20 30 JBEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001642061938 1069823465 /nfs/dbraw/zinc/82/34/65/1069823465.db2.gz CPMMWESTAFMLGG-HNNXBMFYSA-N -1 3 457.578 -0.109 20 30 JBEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC001642061939 1069823722 /nfs/dbraw/zinc/82/37/22/1069823722.db2.gz CPMMWESTAFMLGG-OAHLLOKOSA-N -1 3 457.578 -0.109 20 30 JBEDHM Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC001644600771 1069840672 /nfs/dbraw/zinc/84/06/72/1069840672.db2.gz MRMHQIMAHCPABR-HNNXBMFYSA-N -1 3 451.530 -0.153 20 30 JBEDHM Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC001644600772 1069841741 /nfs/dbraw/zinc/84/17/41/1069841741.db2.gz MRMHQIMAHCPABR-OAHLLOKOSA-N -1 3 451.530 -0.153 20 30 JBEDHM Cn1ncc(S(=O)(=O)[N-]CCNC(=O)C2N=CC=CC2=O)c1I ZINC001654049701 1069890505 /nfs/dbraw/zinc/89/05/05/1069890505.db2.gz IPSOYFMCKRAXRO-BENRWUELSA-N -1 3 451.246 -0.171 20 30 JBEDHM Cn1ncc(S(=O)(=O)[N-]CCNC(=O)C2N=CC=CC2=O)c1I ZINC001654049714 1069890755 /nfs/dbraw/zinc/89/07/55/1069890755.db2.gz IPSOYFMCKRAXRO-ZRDIBKRKSA-N -1 3 451.246 -0.171 20 30 JBEDHM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CC)cc2OC)CC1 ZINC001669828777 1069955917 /nfs/dbraw/zinc/95/59/17/1069955917.db2.gz ITFAEWFQRVZYGK-UHFFFAOYSA-N -1 3 458.562 -0.488 20 30 JBEDHM