smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(N=C2C[C@H](c3ccccc3)N(c3ccccc3)C2=O)cc1O ZINC000005741158 204150019 /nfs/dbraw/zinc/15/00/19/204150019.db2.gz ABUZOCGUVVHUGO-HXUWFJFHSA-N -1 0 386.407 4.174 10 0 GIAERM O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000008699229 204283269 /nfs/dbraw/zinc/28/32/69/204283269.db2.gz MBEBRPRYMYAXGA-HZPDHXFCSA-N -1 0 394.254 4.430 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494203 204415591 /nfs/dbraw/zinc/41/55/91/204415591.db2.gz DGABKXLVXPYZII-MMTMODRTSA-N -1 0 392.580 4.478 10 0 endogenous,in-man GIAERM O=C([O-])CCCNc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000016769945 204601263 /nfs/dbraw/zinc/60/12/63/204601263.db2.gz AXRBJQOPRPJASO-UHFFFAOYSA-N -1 0 381.501 4.438 10 0 GIAERM O=C([O-])COc1cc(C(F)(F)F)nc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000073702821 205031147 /nfs/dbraw/zinc/03/11/47/205031147.db2.gz GXSOZQSRLQPBNQ-UHFFFAOYSA-N -1 0 382.125 4.009 10 0 GIAERM COc1cc(Cl)c(C)cc1Nc1nc(OCC(=O)[O-])cc(-c2ccccc2)n1 ZINC000073704940 205031151 /nfs/dbraw/zinc/03/11/51/205031151.db2.gz JWKVXPUTIHWQHO-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccc(Cl)cc2Cl)n1 ZINC000073702623 205031345 /nfs/dbraw/zinc/03/13/45/205031345.db2.gz WBGVTBGBQBRDRD-UHFFFAOYSA-N -1 0 391.214 4.052 10 0 GIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000073703363 205031681 /nfs/dbraw/zinc/03/16/81/205031681.db2.gz BJDYGGBKGTZTDE-UHFFFAOYSA-N -1 0 387.798 4.452 10 0 GIAERM CCCCN(C)c1ccc(NC(=O)CCc2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC000064589231 205192893 /nfs/dbraw/zinc/19/28/93/205192893.db2.gz LKXYRDAVLGYSAO-UHFFFAOYSA-N -1 0 384.476 4.201 10 0 GIAERM C[C@@H](NC(=O)/C=C/C(=O)[O-])[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000072266759 205319354 /nfs/dbraw/zinc/31/93/54/205319354.db2.gz NKPCAAMLVDTZOB-CYGUPCSJSA-N -1 0 392.282 4.465 10 0 in-man GIAERM CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2CCC(=O)[O-])cc1 ZINC000013221462 205920592 /nfs/dbraw/zinc/92/05/92/205920592.db2.gz DIAPHAUWPJVARL-UHFFFAOYSA-N -1 0 396.512 4.461 10 0 GIAERM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl ZINC000032609995 206090930 /nfs/dbraw/zinc/09/09/30/206090930.db2.gz HILJTULJKXFGME-STQMWFEESA-N -1 0 396.274 4.068 10 0 GIAERM CC(C)c1ccc(CNc2nc(OCC(=O)[O-])cc(-c3ccccc3)n2)cc1 ZINC000073705402 519836339 /nfs/dbraw/zinc/83/63/39/519836339.db2.gz MJWCKBFIZWGODC-UHFFFAOYSA-N -1 0 377.444 4.343 10 0 GIAERM COc1ccc(-c2nc(-c3ccccc3)cc(N3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000073680283 523184953 /nfs/dbraw/zinc/18/49/53/523184953.db2.gz LGWIUIXPGMSFTG-SFHVURJKSA-N -1 0 389.455 4.120 10 0 GIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(NCCc3ccc(Cl)cc3)n2)cc1 ZINC000073707720 525735974 /nfs/dbraw/zinc/73/59/74/525735974.db2.gz XDGFFFWYYFCBAS-UHFFFAOYSA-N -1 0 397.862 4.223 10 0 GIAERM C[C@@H](c1ccccc1)n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660340 526098430 /nfs/dbraw/zinc/09/84/30/526098430.db2.gz TVGVSBSGENIOIM-LBPRGKRZSA-N -1 0 388.876 4.226 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073681835 527565396 /nfs/dbraw/zinc/56/53/96/527565396.db2.gz HLHYDYUHBVOMHB-UHFFFAOYSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])c1cnn(C2CC2)c1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000669380844 570376102 /nfs/dbraw/zinc/37/61/02/570376102.db2.gz YFBBNKPTLOWDBO-UHFFFAOYSA-N -1 0 389.411 4.277 10 0 GIAERM C[C@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675078758 570911228 /nfs/dbraw/zinc/91/12/28/570911228.db2.gz KQEGMZZXQAYARG-ZIAGYGMSSA-N -1 0 383.469 4.174 10 0 GIAERM O=C([O-])C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000725240398 570973363 /nfs/dbraw/zinc/97/33/63/570973363.db2.gz BRHKRPSNMFKHGO-INIZCTEOSA-N -1 0 379.456 4.416 10 0 GIAERM O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725242491 570999648 /nfs/dbraw/zinc/99/96/48/570999648.db2.gz LCBSYVYKMQEFMY-LEWJYISDSA-N -1 0 391.467 4.368 10 0 GIAERM Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000000627515 203841547 /nfs/dbraw/zinc/84/15/47/203841547.db2.gz XDWGRABQBLKWKN-DLBZAZTESA-N -1 0 380.444 4.077 10 0 GIAERM O=C([O-])CSc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1 ZINC000001573471 203822371 /nfs/dbraw/zinc/82/23/71/203822371.db2.gz OMNALNBDQLKNRM-UHFFFAOYSA-N -1 0 375.453 4.188 10 0 GIAERM Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)c2C(=O)[O-])cc1 ZINC000020334165 204712895 /nfs/dbraw/zinc/71/28/95/204712895.db2.gz ZKHDWVVZQKOAIM-UHFFFAOYSA-N -1 0 381.409 4.403 10 0 GIAERM O=C([O-])COc1cc(-c2cccnc2)nc(Nc2ccc(Cl)cc2Cl)n1 ZINC000073702619 205031748 /nfs/dbraw/zinc/03/17/48/205031748.db2.gz RVVPYMXKTKGWAP-UHFFFAOYSA-N -1 0 391.214 4.052 10 0 GIAERM O=C([O-])COc1cccc(/C=C2\NC(=O)C(c3ccccc3)=C2c2ccccc2)c1 ZINC000045375191 205096083 /nfs/dbraw/zinc/09/60/83/205096083.db2.gz VAUNQQQHQXANQK-QNGOZBTKSA-N -1 0 397.430 4.232 10 0 GIAERM Cc1sc(NC(=O)/C=C\C(=O)[O-])c(C#N)c1-c1ccc(Cl)cc1Cl ZINC000096465724 205568178 /nfs/dbraw/zinc/56/81/78/205568178.db2.gz BTMGGEIDZUDWBN-PLNGDYQASA-N -1 0 381.240 4.481 10 0 GIAERM CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000073680729 522145126 /nfs/dbraw/zinc/14/51/26/522145126.db2.gz VELMYOFUTRFUMT-AWEZNQCLSA-N -1 0 393.409 4.334 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(F)cc3Cl)n2)c1 ZINC000073703261 524109079 /nfs/dbraw/zinc/10/90/79/524109079.db2.gz FTFUTEVAGGZKPF-UHFFFAOYSA-N -1 0 387.798 4.452 10 0 GIAERM COc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccc(C)c3)n2)cc1Cl ZINC000073704755 524720779 /nfs/dbraw/zinc/72/07/79/524720779.db2.gz FRQFPUUJQFWLHK-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000039952661 534838507 /nfs/dbraw/zinc/83/85/07/534838507.db2.gz NNFDZVZIMUDXJJ-FQEVSTJZSA-N -1 0 396.487 4.053 10 0 GIAERM C[C@H]1CCCC[C@H]1n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660250 526263244 /nfs/dbraw/zinc/26/32/44/526263244.db2.gz IYKFHKNNZSHSQO-XHDPSFHLSA-N -1 0 380.897 4.368 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2cccc(F)c2)n1 ZINC000073679264 526320318 /nfs/dbraw/zinc/32/03/18/526320318.db2.gz IOCVJXWYWHHOKF-LJQANCHMSA-N -1 0 377.419 4.393 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073680538 526323488 /nfs/dbraw/zinc/32/34/88/526323488.db2.gz QPEVCNPYCSEGLX-INIZCTEOSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073680783 526323980 /nfs/dbraw/zinc/32/39/80/526323980.db2.gz SICUURMOHMCLSD-INIZCTEOSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1CC1CCCCC1 ZINC000073660380 527594177 /nfs/dbraw/zinc/59/41/77/527594177.db2.gz XGOUTNZKEKJUCJ-UHFFFAOYSA-N -1 0 380.897 4.197 10 0 GIAERM O=C([O-])[C@H]1C[C@@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000400054749 570264726 /nfs/dbraw/zinc/26/47/26/570264726.db2.gz FINYOQCZMKHUAB-NFBKMPQASA-N -1 0 377.440 4.122 10 0 GIAERM O=C([O-])C1CC2(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000722998703 570710883 /nfs/dbraw/zinc/71/08/83/570710883.db2.gz AWFKHACPRFTYJB-UHFFFAOYSA-N -1 0 377.440 4.169 10 0 GIAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1cccnc1 ZINC000226779964 570936039 /nfs/dbraw/zinc/93/60/39/570936039.db2.gz KDFQZQJXEPNEOJ-OAQYLSRUSA-N -1 0 388.423 4.088 10 0 GIAERM O=C([O-])[C@H]1CC[C@H](C2CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240477 570973813 /nfs/dbraw/zinc/97/38/13/570973813.db2.gz IVSYSISPGITBQL-NHCUHLMSSA-N -1 0 377.440 4.263 10 0 GIAERM O=C([O-])c1ccc(-c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)o1 ZINC000226353323 231036943 /nfs/dbraw/zinc/03/69/43/231036943.db2.gz GQWAHZYYBAATDF-UHFFFAOYSA-N -1 0 377.805 4.099 10 0 GIAERM Cc1ccc2nc(-c3ccc(Br)cc3)sc2c1S(=O)(=O)[O-] ZINC000090549470 203830432 /nfs/dbraw/zinc/83/04/32/203830432.db2.gz RVLWDVOBDXIGAR-UHFFFAOYSA-N -1 0 384.276 4.281 10 0 GIAERM Cc1cc(OCC(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)[O-])cc(C)c1Cl ZINC000004227783 204032411 /nfs/dbraw/zinc/03/24/11/204032411.db2.gz IKFRRNWAJPYXQZ-CXUHLZMHSA-N -1 0 394.254 4.231 10 0 GIAERM O=C1c2cccc3c(Br)ccc(c32)-c2ccc(S(=O)(=O)[O-])cc21 ZINC000006094257 204164098 /nfs/dbraw/zinc/16/40/98/204164098.db2.gz XGMZBTAQNKARDY-UHFFFAOYSA-N -1 0 389.226 4.060 10 0 GIAERM Cc1c(C(=O)OCC(C)C)sc2ncnc(Nc3cccc(C(=O)[O-])c3)c12 ZINC000012084698 204369809 /nfs/dbraw/zinc/36/98/09/204369809.db2.gz QGCQCZUDJAMLRJ-UHFFFAOYSA-N -1 0 385.445 4.254 10 0 GIAERM O=C([O-])COc1cc(-c2ccccc2)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000073703551 205030752 /nfs/dbraw/zinc/03/07/52/205030752.db2.gz LVEGTKCQDKRCBX-UHFFFAOYSA-N -1 0 389.333 4.369 10 0 GIAERM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000039941287 205043947 /nfs/dbraw/zinc/04/39/47/205043947.db2.gz UZUWQRBPFRGMCJ-RISCZKNCSA-N -1 0 388.291 4.494 10 0 GIAERM COc1ccc(C(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000064978713 205204299 /nfs/dbraw/zinc/20/42/99/205204299.db2.gz RGGKTWQJYBCEID-UHFFFAOYSA-N -1 0 399.491 4.159 10 0 GIAERM CCCN(CCC)c1ncc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000064978544 205204335 /nfs/dbraw/zinc/20/43/35/205204335.db2.gz NRNKBJNYLPIFLA-UHFFFAOYSA-N -1 0 375.856 4.312 10 0 GIAERM CC[C@@H](CCCCO[C@H]1CCCCO1)COC(=O)c1ccccc1C(=O)[O-] ZINC000077311452 205358699 /nfs/dbraw/zinc/35/86/99/205358699.db2.gz FBMJEFLVACGEPF-QFBILLFUSA-N -1 0 378.465 4.281 10 0 in-vitro GIAERM CCCCCC(=O)NC(=S)Nc1cc(OC)ccc1-c1ccc(C(=O)[O-])o1 ZINC000226350437 205691300 /nfs/dbraw/zinc/69/13/00/205691300.db2.gz YMIIBXJQXVDTNE-UHFFFAOYSA-N -1 0 390.461 4.047 10 0 GIAERM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccc(F)c3)c2)cc1 ZINC000028220476 206031951 /nfs/dbraw/zinc/03/19/51/206031951.db2.gz FNCIPRZRIQUITR-UHFFFAOYSA-N -1 0 387.480 4.169 10 0 GIAERM CCCc1[nH]c2ccnn2c(=O)c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000100285060 517619759 /nfs/dbraw/zinc/61/97/59/517619759.db2.gz LTAVDWCWPSKKHG-UHFFFAOYSA-N -1 0 387.439 4.343 10 0 GIAERM CC(C)c1ccc(CSc2nc3ccsc3c(=O)n2CCC(=O)[O-])cc1 ZINC000073661606 519836444 /nfs/dbraw/zinc/83/64/44/519836444.db2.gz NFYLFAIBEZJUDB-UHFFFAOYSA-N -1 0 388.514 4.348 10 0 GIAERM CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCC(C(=O)[O-])CC1 ZINC000073681922 523708349 /nfs/dbraw/zinc/70/83/49/523708349.db2.gz LAQBWTGQZIYTKZ-UHFFFAOYSA-N -1 0 393.409 4.334 10 0 GIAERM CCc1c(C)nc(Nc2ccc(Oc3ccccc3)cc2)nc1OCC(=O)[O-] ZINC000073700038 523711277 /nfs/dbraw/zinc/71/12/77/523711277.db2.gz MSJOMIYRDLETGV-UHFFFAOYSA-N -1 0 379.416 4.347 10 0 GIAERM CCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073679659 523793007 /nfs/dbraw/zinc/79/30/07/523793007.db2.gz JUXYGUWYSZMTRC-HNNXBMFYSA-N -1 0 379.382 4.168 10 0 GIAERM O=C([O-])CCOc1cc(-c2ccccn2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662607 527592487 /nfs/dbraw/zinc/59/24/87/527592487.db2.gz QOZADNNOZUWCHB-UHFFFAOYSA-N -1 0 389.333 4.078 10 0 GIAERM CCCCCCOc1ccc(OS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000226858369 570462056 /nfs/dbraw/zinc/46/20/56/570462056.db2.gz QMRQQCBWGAYJJK-UHFFFAOYSA-N -1 0 392.473 4.420 10 0 GIAERM O=C([O-])C12CCC(CC1)N(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000253187573 570826798 /nfs/dbraw/zinc/82/67/98/570826798.db2.gz UWVCQAQDOGETLU-UHFFFAOYSA-N -1 0 377.440 4.265 10 0 GIAERM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000096034592 571096047 /nfs/dbraw/zinc/09/60/47/571096047.db2.gz GCRORTMHBOUYBH-NPMXOYFQSA-N -1 0 377.440 4.122 10 0 GIAERM C[C@](CO)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000242723236 231039942 /nfs/dbraw/zinc/03/99/42/231039942.db2.gz YHHKFTNUCINWNV-QHCPKHFHSA-N -1 0 376.452 4.078 10 0 GIAERM O=C([O-])COc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 ZINC000005592293 204141780 /nfs/dbraw/zinc/14/17/80/204141780.db2.gz DALCODVNGPSIRM-UHFFFAOYSA-N -1 0 380.274 4.068 10 0 GIAERM O=C([O-])COc1cc(C(F)(F)F)nc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000073702901 205031296 /nfs/dbraw/zinc/03/12/96/205031296.db2.gz BRQBEGRFHJUXLO-UHFFFAOYSA-N -1 0 382.125 4.009 10 0 GIAERM COc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1C(=O)[O-] ZINC000226857160 205689943 /nfs/dbraw/zinc/68/99/43/205689943.db2.gz JRJBMCKVRHGIEG-UHFFFAOYSA-N -1 0 395.521 4.050 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000263588948 206185354 /nfs/dbraw/zinc/18/53/54/206185354.db2.gz AJQRAPNIKHYNJX-VKXLTBOYSA-N -1 0 390.564 4.398 10 0 GIAERM CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000073680731 522144140 /nfs/dbraw/zinc/14/41/40/522144140.db2.gz VELMYOFUTRFUMT-CQSZACIVSA-N -1 0 393.409 4.334 10 0 GIAERM CCc1ccc(CNc2nc(OCC(=O)[O-])cc(-c3ccc(C)cc3)n2)cc1 ZINC000073705399 523948678 /nfs/dbraw/zinc/94/86/78/523948678.db2.gz APPLQCIIXZZHRS-UHFFFAOYSA-N -1 0 377.444 4.090 10 0 GIAERM Cc1cc(C)n(-c2nc(Nc3ccc(C(=O)[O-])cc3)cc(-c3ccccc3)n2)n1 ZINC000073683434 524497253 /nfs/dbraw/zinc/49/72/53/524497253.db2.gz CALSWEJMCULIJA-UHFFFAOYSA-N -1 0 385.427 4.388 10 0 GIAERM C[C@H](c1ccccc1)n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660343 526107095 /nfs/dbraw/zinc/10/70/95/526107095.db2.gz TVGVSBSGENIOIM-GFCCVEGCSA-N -1 0 388.876 4.226 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccccn3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073680797 526323758 /nfs/dbraw/zinc/32/37/58/526323758.db2.gz YHMDNFVVHBMOMR-HNNXBMFYSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])c1nnn(-c2cccc(Br)c2)c1-c1cccc(Cl)c1 ZINC000228999005 526411544 /nfs/dbraw/zinc/41/15/44/526411544.db2.gz HRIYVEKSBHNCPB-UHFFFAOYSA-N -1 0 378.613 4.048 10 0 GIAERM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000005734913 560202861 /nfs/dbraw/zinc/20/28/61/560202861.db2.gz KXGVEGMKQFWNSR-IXXXIYJDSA-N -1 0 392.580 4.478 10 0 in-vitro GIAERM O=C([O-])[C@@H]1C[C@H]2C[C@H]2[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725269060 570327050 /nfs/dbraw/zinc/32/70/50/570327050.db2.gz JQKXCNMHVWCVTC-QHJLWRIMSA-N -1 0 377.440 4.024 10 0 GIAERM O=C([O-])C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1F ZINC000725240501 570973978 /nfs/dbraw/zinc/97/39/78/570973978.db2.gz JZNGNYZBOSCLKQ-XOBRGWDASA-N -1 0 383.419 4.070 10 0 GIAERM C[C@@H]1C[C@H](CC(=O)[O-])CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240597 570975000 /nfs/dbraw/zinc/97/50/00/570975000.db2.gz PQSJBKDGYSOSKR-HZPDHXFCSA-N -1 0 379.456 4.368 10 0 GIAERM CN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1cccc(Cl)c1 ZINC000004920504 204092830 /nfs/dbraw/zinc/09/28/30/204092830.db2.gz UHWJIMSTAVRZFM-UHFFFAOYSA-N -1 0 377.227 4.378 10 0 GIAERM CC(C)CN(CC(C)C)c1ncc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000064978707 205205028 /nfs/dbraw/zinc/20/50/28/205205028.db2.gz XKRODWGEDQOFEA-UHFFFAOYSA-N -1 0 387.455 4.290 10 0 GIAERM O=C([O-])c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000006751013 205783673 /nfs/dbraw/zinc/78/36/73/205783673.db2.gz GUGCZIVRNRWDBZ-UHFFFAOYSA-N -1 0 375.453 4.470 10 0 GIAERM CC(C)c1cc(-n2ccc(C(=O)[O-])n2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073681491 519830976 /nfs/dbraw/zinc/83/09/76/519830976.db2.gz RIURXLPRXMTTDI-UHFFFAOYSA-N -1 0 376.338 4.170 10 0 GIAERM CCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073680676 523794123 /nfs/dbraw/zinc/79/41/23/523794123.db2.gz KETAJLQEESVVCA-CYBMUJFWSA-N -1 0 379.382 4.026 10 0 GIAERM Cc1cc(C)n(-c2nc(Oc3ccc(C(=O)[O-])cc3)cc(-c3ccccc3)n2)n1 ZINC000073682937 524498157 /nfs/dbraw/zinc/49/81/57/524498157.db2.gz AMEVIICGJDELGI-UHFFFAOYSA-N -1 0 386.411 4.437 10 0 GIAERM COc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3ccc(C)cc3)n2)cc1Cl ZINC000073704762 524720179 /nfs/dbraw/zinc/72/01/79/524720179.db2.gz MJUGYQQCKIHOAN-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM Cc1ccc(Cn2cc(C(=O)[O-])c(=O)c3cc(Br)ccc32)cc1C ZINC000057344048 524772065 /nfs/dbraw/zinc/77/20/65/524772065.db2.gz IGNWTCWDWQJXAY-UHFFFAOYSA-N -1 0 386.245 4.127 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccccc2F)n1 ZINC000073679302 526319746 /nfs/dbraw/zinc/31/97/46/526319746.db2.gz BMWQOLIDFLODMX-LJQANCHMSA-N -1 0 377.419 4.393 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)C1 ZINC000073680237 526323708 /nfs/dbraw/zinc/32/37/08/526323708.db2.gz KZTFGOULHVSIAJ-INIZCTEOSA-N -1 0 377.419 4.251 10 0 GIAERM O=C([O-])c1cn(Cc2cccc(Cl)c2)c2ccc(Br)cc2c1=O ZINC000057344087 526402923 /nfs/dbraw/zinc/40/29/23/526402923.db2.gz SWFYSEZVUIAENK-UHFFFAOYSA-N -1 0 392.636 4.164 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073681952 527565936 /nfs/dbraw/zinc/56/59/36/527565936.db2.gz BHTKUJXDTYLABC-UHFFFAOYSA-N -1 0 394.862 4.160 10 0 GIAERM C[C@@H](C(=O)[O-])[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240522 570974277 /nfs/dbraw/zinc/97/42/77/570974277.db2.gz LFMKFKQHJBIJBH-HZPDHXFCSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)o1 ZINC000226353133 231037036 /nfs/dbraw/zinc/03/70/36/231037036.db2.gz BDDDDHOMIAECEO-UHFFFAOYSA-N -1 0 377.805 4.099 10 0 GIAERM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)c(OC)c1 ZINC000006748957 204200045 /nfs/dbraw/zinc/20/00/45/204200045.db2.gz HXIZIAUVIRQZRW-UHFFFAOYSA-N -1 0 375.384 4.007 10 0 GIAERM O=C([O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1CSc1ccccc1 ZINC000011759711 204352966 /nfs/dbraw/zinc/35/29/66/204352966.db2.gz BKIPJADXKLOCNX-UHFFFAOYSA-N -1 0 379.363 4.277 10 0 GIAERM O=C([O-])CSc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073695714 205030693 /nfs/dbraw/zinc/03/06/93/205030693.db2.gz VXQJWZHLEQTNOJ-UHFFFAOYSA-N -1 0 391.374 4.401 10 0 GIAERM O=C([O-])COc1cc(C(F)(F)F)nc(Nc2c(Cl)cccc2Cl)n1 ZINC000073702746 205030747 /nfs/dbraw/zinc/03/07/47/205030747.db2.gz GFVXZNVCWSVLBX-UHFFFAOYSA-N -1 0 382.125 4.009 10 0 GIAERM CCCN(CCC)c1ncc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000064978533 205204533 /nfs/dbraw/zinc/20/45/33/205204533.db2.gz XPFFOLPYKUYKFM-UHFFFAOYSA-N -1 0 375.856 4.312 10 0 GIAERM CC(C)CN(CC(C)C)c1ncc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000064978706 205204693 /nfs/dbraw/zinc/20/46/93/205204693.db2.gz XYYMPFCVQBUPJN-UHFFFAOYSA-N -1 0 387.455 4.290 10 0 GIAERM Cc1cc2c(nc(-c3cccnc3)nc2N[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000072260829 205319086 /nfs/dbraw/zinc/31/90/86/205319086.db2.gz DMYYJGYVFSBPEQ-KRWDZBQOSA-N -1 0 390.468 4.170 10 0 GIAERM CCCCC(=O)NC(=S)Nc1cc(Cl)ccc1-c1ccc(C(=O)[O-])o1 ZINC000226350522 205691036 /nfs/dbraw/zinc/69/10/36/205691036.db2.gz SVDBIHZHLDVJMI-UHFFFAOYSA-N -1 0 380.853 4.301 10 0 GIAERM CCCCC[C@H](O)CCCCCS(=O)(=O)CCCCCCCC(=O)[O-] ZINC000169315831 205825850 /nfs/dbraw/zinc/82/58/50/205825850.db2.gz PQWTXJZNEZRECT-SFHVURJKSA-N -1 0 378.575 4.328 10 0 GIAERM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc(F)c3)n2)cc1 ZINC000027916677 206019705 /nfs/dbraw/zinc/01/97/05/206019705.db2.gz CLUKLYNTJYOBRI-UHFFFAOYSA-N -1 0 387.480 4.169 10 0 GIAERM Cc1cc(OCc2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)o2)ccc1Cl ZINC000027937686 206022587 /nfs/dbraw/zinc/02/25/87/206022587.db2.gz PEYFFDVVFUBJRM-UHFFFAOYSA-N -1 0 399.830 4.449 10 0 GIAERM O=S(=O)([N-]c1cnn(Cc2cccc(F)c2)c1)c1ccc2ccccc2c1 ZINC000028233292 206036205 /nfs/dbraw/zinc/03/62/05/206036205.db2.gz QLVGXIIWLXDQTI-UHFFFAOYSA-N -1 0 381.432 4.025 10 0 GIAERM CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000073699898 521383978 /nfs/dbraw/zinc/38/39/78/521383978.db2.gz ZJORWHDJVFEJRX-UHFFFAOYSA-N -1 0 393.443 4.215 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccncc2)nc(-c2cccc(Cl)c2)n1 ZINC000073679551 526320062 /nfs/dbraw/zinc/32/00/62/526320062.db2.gz SDUSXHJDUBGASA-GOSISDBHSA-N -1 0 394.862 4.303 10 0 GIAERM O=C([O-])[C@@H]1C[C@@H]2C[C@@H]2[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725269063 570326766 /nfs/dbraw/zinc/32/67/66/570326766.db2.gz JQKXCNMHVWCVTC-QTLPIUPCSA-N -1 0 377.440 4.024 10 0 GIAERM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1 ZINC000095748939 570935687 /nfs/dbraw/zinc/93/56/87/570935687.db2.gz JAVDQXYAZCMANV-NRFANRHFSA-N -1 0 389.407 4.057 10 0 GIAERM O=C([O-])C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1F ZINC000725240498 570974124 /nfs/dbraw/zinc/97/41/24/570974124.db2.gz JZNGNYZBOSCLKQ-JLTOFOAXSA-N -1 0 383.419 4.070 10 0 GIAERM CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494340 571694397 /nfs/dbraw/zinc/69/43/97/571694397.db2.gz DIJBBUIOWGGQOP-QYYVTAPASA-N -1 0 396.549 4.342 10 0 endogenous,world GIAERM COC(=O)c1ccccc1NC(=O)[C@H]1CC2=C(CCCC2(C)C)C[C@@H]1C(=O)[O-] ZINC000003638834 204017037 /nfs/dbraw/zinc/01/70/37/204017037.db2.gz PTAGDSQVDFMPNJ-HOTGVXAUSA-N -1 0 385.460 4.029 10 0 GIAERM COC(=O)c1nc(-c2ccc(C(C)C)cc2)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000039321309 205040957 /nfs/dbraw/zinc/04/09/57/205040957.db2.gz ZULBUBPHAXXZDA-UHFFFAOYSA-N -1 0 378.428 4.456 10 0 GIAERM CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(CC(=O)[O-])CC2)cc1 ZINC000040901549 205075279 /nfs/dbraw/zinc/07/52/79/205075279.db2.gz FUIYMYNYUHVDPT-UHFFFAOYSA-N -1 0 394.475 4.099 10 0 GIAERM Cc1ccsc1CN(Cc1ccccn1)Cc1ccccc1OCC(=O)[O-] ZINC000055060844 205141693 /nfs/dbraw/zinc/14/16/93/205141693.db2.gz UWXZBSCTXKSPSM-UHFFFAOYSA-N -1 0 382.485 4.117 10 0 GIAERM CCCCN(CC)c1ncc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000064978684 205204805 /nfs/dbraw/zinc/20/48/05/205204805.db2.gz HZMPHIWVVVTSGB-UHFFFAOYSA-N -1 0 375.856 4.312 10 0 GIAERM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000095616934 205505149 /nfs/dbraw/zinc/50/51/49/205505149.db2.gz WVFJSAFCQAEXDG-PMACEKPBSA-N -1 0 397.471 4.301 10 0 GIAERM Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000226322859 205688338 /nfs/dbraw/zinc/68/83/38/205688338.db2.gz VZCVMPZHRPFFNO-AATRIKPKSA-N -1 0 380.227 4.417 10 0 GIAERM C[C@@H](NC(=O)Cc1ccccc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000096296945 206121579 /nfs/dbraw/zinc/12/15/79/206121579.db2.gz DUGIOUWDJPUYNY-GFCCVEGCSA-N -1 0 384.819 4.113 10 0 GIAERM Cc1cccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c3)CC2)c1 ZINC000064589971 136157170 /nfs/dbraw/zinc/15/71/70/136157170.db2.gz XDKCVFQMEVPPFC-UHFFFAOYSA-N -1 0 395.503 4.004 10 0 GIAERM CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 ZINC000073698457 521494456 /nfs/dbraw/zinc/49/44/56/521494456.db2.gz XHTNPLVUVFWRBF-UHFFFAOYSA-N -1 0 377.444 4.382 10 0 GIAERM CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCC[C@H](C(=O)[O-])C1 ZINC000073680719 523708500 /nfs/dbraw/zinc/70/85/00/523708500.db2.gz AQBNDVPEMAJMRH-AWEZNQCLSA-N -1 0 393.409 4.334 10 0 GIAERM CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000039952655 534839013 /nfs/dbraw/zinc/83/90/13/534839013.db2.gz NNFDZVZIMUDXJJ-HXUWFJFHSA-N -1 0 396.487 4.053 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccc3)nc(-c3cccc(F)c3)n2)C1 ZINC000073680185 526273332 /nfs/dbraw/zinc/27/33/32/526273332.db2.gz FUIFFAVTMQYHEH-QGZVFWFLSA-N -1 0 377.419 4.251 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073680544 526274241 /nfs/dbraw/zinc/27/42/41/526274241.db2.gz QPEVCNPYCSEGLX-MRXNPFEDSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccccc3)nc(-c3cccc(F)c3)n2)C1 ZINC000073680178 526323830 /nfs/dbraw/zinc/32/38/30/526323830.db2.gz FUIFFAVTMQYHEH-KRWDZBQOSA-N -1 0 377.419 4.251 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3cccnc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073681957 527565957 /nfs/dbraw/zinc/56/59/57/527565957.db2.gz GKWRNZDTLNVFCJ-UHFFFAOYSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])[C@H]1CCN(C(=O)OCc2ccccc2)c2ccc(Br)cc21 ZINC000584883114 570405440 /nfs/dbraw/zinc/40/54/40/570405440.db2.gz HHBCDZOFQIUEGY-AWEZNQCLSA-N -1 0 390.233 4.164 10 0 GIAERM O=C([O-])C[C@H]1CCC12CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000722401986 570700191 /nfs/dbraw/zinc/70/01/91/570700191.db2.gz JWDIRVCZQHHWKU-OAHLLOKOSA-N -1 0 377.440 4.122 10 0 GIAERM O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC2(CC2)C1 ZINC000722633479 570701182 /nfs/dbraw/zinc/70/11/82/570701182.db2.gz ZKLQKBGNUPLANI-UHFFFAOYSA-N -1 0 377.440 4.170 10 0 GIAERM O=C([O-])[C@H]1CCCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091347671 570933215 /nfs/dbraw/zinc/93/32/15/570933215.db2.gz WCABBXVDMIPXLX-CVEARBPZSA-N -1 0 379.456 4.416 10 0 GIAERM C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1CC(=O)[O-] ZINC000725240603 570974923 /nfs/dbraw/zinc/97/49/23/570974923.db2.gz QRBYVHBQKVVCRK-CVEARBPZSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])c1cnn2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc12 ZINC000725241897 570998755 /nfs/dbraw/zinc/99/87/55/570998755.db2.gz VOAUZYVKPCTCTR-UHFFFAOYSA-N -1 0 399.406 4.394 10 0 GIAERM CCn1c(COc2ccc(-c3ccc(C)cc3)cc2)nnc1SCC(=O)[O-] ZINC000026469182 203794202 /nfs/dbraw/zinc/79/42/02/203794202.db2.gz YADNHJBGDGSHSU-UHFFFAOYSA-N -1 0 383.473 4.029 10 0 GIAERM Cc1n[nH]c(SC(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)[O-])n1 ZINC000006417367 204178047 /nfs/dbraw/zinc/17/80/47/204178047.db2.gz JBLPJJIWANJMJB-LICLKQGHSA-N -1 0 385.420 4.049 10 0 GIAERM CC(C)[C@H](C)Nc1c(Cc2cccc(F)c2)c(Cl)nc2c(C(=O)[O-])cnn21 ZINC000034849703 204977163 /nfs/dbraw/zinc/97/71/63/204977163.db2.gz AWWYXGUTNBVRND-NSHDSACASA-N -1 0 390.846 4.267 10 0 GIAERM O=C([O-])COc1cc(C(F)(F)F)nc(Nc2cc(Cl)ccc2Cl)n1 ZINC000073702662 205030632 /nfs/dbraw/zinc/03/06/32/205030632.db2.gz YUZLISHWQMOLOH-UHFFFAOYSA-N -1 0 382.125 4.009 10 0 GIAERM O=C([O-])CSc1cc(-c2ccccn2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073695718 205031393 /nfs/dbraw/zinc/03/13/93/205031393.db2.gz SQRIFCXYNDDFMW-UHFFFAOYSA-N -1 0 391.374 4.401 10 0 GIAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000064978446 205204841 /nfs/dbraw/zinc/20/48/41/205204841.db2.gz GIMKSBWBUXFWQN-UHFFFAOYSA-N -1 0 375.428 4.059 10 0 GIAERM O=C([O-])Cc1ccc(F)c(-c2cc(NCc3ccncc3)nc3[nH]ccc32)c1 ZINC000072480439 205355436 /nfs/dbraw/zinc/35/54/36/205355436.db2.gz JSLJLKQQKQMUBJ-UHFFFAOYSA-N -1 0 376.391 4.003 10 0 GIAERM CC(=O)CCN(CCN(C(=O)[O-])C(C)(C)C)c1nc2cc(Cl)ccc2o1 ZINC000095080615 205438168 /nfs/dbraw/zinc/43/81/68/205438168.db2.gz FAAPSPOAEIZGRH-UHFFFAOYSA-N -1 0 381.860 4.045 10 0 GIAERM COc1ccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)cc1C(=O)[O-] ZINC000226856857 205690266 /nfs/dbraw/zinc/69/02/66/205690266.db2.gz LZNZVBUNZCRPOU-UHFFFAOYSA-N -1 0 398.392 4.061 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(N[C@@H]3CCc4ccccc43)n2)c1 ZINC000073708284 524108933 /nfs/dbraw/zinc/10/89/33/524108933.db2.gz OFIVIHIRZGIBAL-GOSISDBHSA-N -1 0 375.428 4.015 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3ccccn3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073681962 527565965 /nfs/dbraw/zinc/56/59/65/527565965.db2.gz KPKJBPRBTXGFHT-UHFFFAOYSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])COc1cc(-c2cccnc2)nc(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000073698104 527616616 /nfs/dbraw/zinc/61/66/16/527616616.db2.gz JJCHOIKULLVHCV-UHFFFAOYSA-N -1 0 398.422 4.413 10 0 GIAERM COc1cc(-c2cc(=O)c3c(O)cc([O-])c(CC=C(C)C)c3o2)cc(OC)c1O ZINC000005430809 560201921 /nfs/dbraw/zinc/20/19/21/560201921.db2.gz FGQYLXHJJYBZGT-UHFFFAOYSA-N -1 0 398.411 4.103 10 0 biogenic,in-vitro GIAERM CCCCCCOc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000226857397 570461927 /nfs/dbraw/zinc/46/19/27/570461927.db2.gz IVMIFXOESPEYQH-UHFFFAOYSA-N -1 0 392.473 4.420 10 0 GIAERM O=C([O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000704731879 570749342 /nfs/dbraw/zinc/74/93/42/570749342.db2.gz CSXZKFDKDJHILR-MQVJKMGUSA-N -1 0 377.440 4.263 10 0 GIAERM O=C([O-])C12CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C1)CCC2 ZINC000725240684 570994366 /nfs/dbraw/zinc/99/43/66/570994366.db2.gz WDDPHMACOUFZCG-UHFFFAOYSA-N -1 0 377.440 4.313 10 0 GIAERM Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)oc1C(=O)[O-] ZINC000725240718 570995259 /nfs/dbraw/zinc/99/52/59/570995259.db2.gz YMZSGLJTZVZTRG-UHFFFAOYSA-N -1 0 377.396 4.325 10 0 GIAERM C[C@]1(c2ccc(F)cc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000006032157 206295409 /nfs/dbraw/zinc/29/54/09/206295409.db2.gz DPESQQIBUVKMFX-GOSISDBHSA-N -1 0 383.202 4.293 10 0 GIAERM Cc1cccc(Oc2c(=O)c3ccc(OCC(=O)[O-])cc3oc2C(F)(F)F)c1 ZINC000004227943 206509137 /nfs/dbraw/zinc/50/91/37/206509137.db2.gz MTWSPFBYFQTIQF-UHFFFAOYSA-N -1 0 394.301 4.376 10 0 GIAERM C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3Cl)c2C(=O)[O-])C1 ZINC000020333823 207188418 /nfs/dbraw/zinc/18/84/18/207188418.db2.gz POIUZRYCICZWJL-JTQLQIEISA-N -1 0 379.865 4.242 10 0 GIAERM CCOc1ccc(-c2csc3ncnc(N4CCC(C(=O)[O-])CC4)c23)cc1 ZINC000020320829 207189167 /nfs/dbraw/zinc/18/91/67/207189167.db2.gz BSVCZRXKGPHTFX-UHFFFAOYSA-N -1 0 383.473 4.058 10 0 GIAERM O=C(CSc1nnc(C=Cc2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000027300726 207324124 /nfs/dbraw/zinc/32/41/24/207324124.db2.gz ZLQDSVGRRTUDEF-IZZDOVSWSA-N -1 0 398.875 4.132 10 0 GIAERM COc1ccc(-c2csc(SCc3ccc(C(=O)[O-])o3)n2)cc1OC ZINC000032611832 207399645 /nfs/dbraw/zinc/39/96/45/207399645.db2.gz FOSPPBZOAAHRTI-UHFFFAOYSA-N -1 0 377.443 4.411 10 0 GIAERM CCCCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3ccncc3)n2)cc1 ZINC000073697900 521285326 /nfs/dbraw/zinc/28/53/26/521285326.db2.gz NDMTYQPSVRDXHN-UHFFFAOYSA-N -1 0 378.432 4.088 10 0 GIAERM COc1cc2[n-]c(=S)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c2cc1OC ZINC000073659328 523067135 /nfs/dbraw/zinc/06/71/35/523067135.db2.gz XIZFAJMAPUIXAO-UHFFFAOYSA-N -1 0 397.283 4.058 10 0 GIAERM CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCCC[C@@H]1C(=O)[O-] ZINC000073679698 523708636 /nfs/dbraw/zinc/70/86/36/523708636.db2.gz CJBWVQRZNQZBIB-MRXNPFEDSA-N -1 0 393.409 4.477 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)C1 ZINC000073680738 526272793 /nfs/dbraw/zinc/27/27/93/526272793.db2.gz YAFSPEQGSSFVAZ-QGZVFWFLSA-N -1 0 377.419 4.251 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)C1 ZINC000073680734 526323592 /nfs/dbraw/zinc/32/35/92/526323592.db2.gz YAFSPEQGSSFVAZ-KRWDZBQOSA-N -1 0 377.419 4.251 10 0 GIAERM O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2Cl)n1 ZINC000073708982 527616378 /nfs/dbraw/zinc/61/63/78/527616378.db2.gz ASYJEGNYGNZEDX-UHFFFAOYSA-N -1 0 387.798 4.012 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)n1 ZINC000073679724 527660013 /nfs/dbraw/zinc/66/00/13/527660013.db2.gz GGLOSZXKUHPQIB-IBGZPJMESA-N -1 0 377.419 4.393 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccccn2)nc(-c2cccc(Cl)c2)n1 ZINC000073679571 527660236 /nfs/dbraw/zinc/66/02/36/527660236.db2.gz DUBNJHMKBOFVFS-SFHVURJKSA-N -1 0 394.862 4.303 10 0 GIAERM COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)c1OC ZINC000006748982 570567126 /nfs/dbraw/zinc/56/71/26/570567126.db2.gz QMPYBVLDNWTUQN-UHFFFAOYSA-N -1 0 375.384 4.007 10 0 GIAERM O=C([O-])[C@@H]1C[C@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C1 ZINC000675068603 570905931 /nfs/dbraw/zinc/90/59/31/570905931.db2.gz BWDQAAQXQMCCCI-VTGFDGEISA-N -1 0 377.440 4.024 10 0 GIAERM O=C([O-])CSc1c2ccc(C(=O)NC3CCCCC3)cc2nc2c1CCCC2 ZINC000004940190 206574999 /nfs/dbraw/zinc/57/49/99/206574999.db2.gz PECNAOQTYKTPHL-UHFFFAOYSA-N -1 0 398.528 4.353 10 0 GIAERM CC[C@H](CCCCO[C@H]1CCCCO1)COC(=O)c1ccccc1C(=O)[O-] ZINC000077311454 208037917 /nfs/dbraw/zinc/03/79/17/208037917.db2.gz FBMJEFLVACGEPF-VQIMIIECSA-N -1 0 378.465 4.281 10 0 in-vitro GIAERM Cc1c(C)n(-c2ccc(C)c(F)c2)c2nc(C)nc(N3CCC(C(=O)[O-])CC3)c12 ZINC000032916947 221750342 /nfs/dbraw/zinc/75/03/42/221750342.db2.gz ITCGIXPWFOAXKE-UHFFFAOYSA-N -1 0 396.466 4.094 10 0 GIAERM CC1CCC(n2c(=O)c3cc(Cl)ccc3nc2SCCC(=O)[O-])CC1 ZINC000073660254 520962471 /nfs/dbraw/zinc/96/24/71/520962471.db2.gz FLMRHRVEHKPUBE-UHFFFAOYSA-N -1 0 380.897 4.368 10 0 GIAERM CCOc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccc(C)c3)n2)cc1 ZINC000073699840 521140104 /nfs/dbraw/zinc/14/01/04/521140104.db2.gz WBWDWNMZAUGDEW-UHFFFAOYSA-N -1 0 379.416 4.058 10 0 GIAERM CCCC[C@H](CC)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)[O-] ZINC000073660493 521181214 /nfs/dbraw/zinc/18/12/14/521181214.db2.gz NEWCKGHYRYZDBH-LBPRGKRZSA-N -1 0 382.913 4.443 10 0 GIAERM CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000039952663 534838691 /nfs/dbraw/zinc/83/86/91/534838691.db2.gz VMIRAITZTZTNIM-SFHVURJKSA-N -1 0 396.487 4.053 10 0 GIAERM CSc1ccc(CNc2nc(OCC(=O)[O-])cc(-c3cccc(C)c3)n2)cc1 ZINC000073706250 526006742 /nfs/dbraw/zinc/00/67/42/526006742.db2.gz PFLGEZFULZZISY-UHFFFAOYSA-N -1 0 395.484 4.249 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)n1 ZINC000073679720 526319733 /nfs/dbraw/zinc/31/97/33/526319733.db2.gz GGLOSZXKUHPQIB-LJQANCHMSA-N -1 0 377.419 4.393 10 0 GIAERM O=C([O-])COc1cc(-c2cccnc2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000073698903 527616384 /nfs/dbraw/zinc/61/63/84/527616384.db2.gz BNCRXOUXJLFDHG-UHFFFAOYSA-N -1 0 398.422 4.472 10 0 GIAERM C[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725261874 570312782 /nfs/dbraw/zinc/31/27/82/570312782.db2.gz LPAJCEZGLLEJOD-WIEQDCTASA-N -1 0 379.456 4.367 10 0 GIAERM O=C([O-])C1=C[C@H]2CC[C@@H](C1)N2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262137 570313410 /nfs/dbraw/zinc/31/34/10/570313410.db2.gz YJJYHOPRNFPURM-CVEARBPZSA-N -1 0 375.424 4.183 10 0 GIAERM O=C([O-])[C@H]1C[C@H]2[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C1 ZINC000675068589 570906060 /nfs/dbraw/zinc/90/60/60/570906060.db2.gz BWDQAAQXQMCCCI-AFAMQEBYSA-N -1 0 377.440 4.024 10 0 GIAERM CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1nocc1C(=O)[O-] ZINC000725240541 570974258 /nfs/dbraw/zinc/97/42/58/570974258.db2.gz MQBACUDFSSKBMS-UHFFFAOYSA-N -1 0 392.411 4.147 10 0 GIAERM O=C([O-])c1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)o1 ZINC000226352870 231037029 /nfs/dbraw/zinc/03/70/29/231037029.db2.gz PMFJPKOIIIOFMJ-UHFFFAOYSA-N -1 0 377.805 4.099 10 0 GIAERM COc1cc(-c2coc3cc4c(c([O-])c3c2=O)C=CC(C)(C)O4)c(OC)cc1O ZINC000015150823 291137757 /nfs/dbraw/zinc/13/77/57/291137757.db2.gz SHCMKWXVHLOSIU-UHFFFAOYSA-N -1 0 396.395 4.073 10 0 biogenic,in-vitro GIAERM Cc1cc(I)ccc1Nc1c(F)c(F)ccc1C(=O)[O-] ZINC000000582834 206308452 /nfs/dbraw/zinc/30/84/52/206308452.db2.gz XRNCNLRJMNWXRG-UHFFFAOYSA-N -1 0 389.139 4.320 10 0 GIAERM CC(=O)Nc1cccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])c1 ZINC000020334081 207188895 /nfs/dbraw/zinc/18/88/95/207188895.db2.gz DAVMYYXIXJUYLD-UHFFFAOYSA-N -1 0 380.425 4.324 10 0 GIAERM CCOc1ccc(/C=C/C(=O)Nc2sc(CC)cc2C(=O)[O-])cc1OC ZINC000020333333 207188912 /nfs/dbraw/zinc/18/89/12/207188912.db2.gz SEFJNTQXMGCHDF-VQHVLOKHSA-N -1 0 375.446 4.068 10 0 GIAERM O=C([O-])c1cc(NC(=O)c2ccccc2)cnc1N1CC[C@@H](c2ccccc2)C1 ZINC000064979002 207824991 /nfs/dbraw/zinc/82/49/91/207824991.db2.gz CKTJPCYFMOOXRP-GOSISDBHSA-N -1 0 387.439 4.026 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000263588946 209083113 /nfs/dbraw/zinc/08/31/13/209083113.db2.gz AJQRAPNIKHYNJX-ORVJMDHJSA-N -1 0 390.564 4.398 10 0 GIAERM CC(C)(C)OC(=O)N1C[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](C(=O)[O-])C1 ZINC000095616932 222359013 /nfs/dbraw/zinc/35/90/13/222359013.db2.gz WVFJSAFCQAEXDG-VQTJNVASSA-N -1 0 397.471 4.301 10 0 GIAERM C[C@@H]1CCCC[C@@H]1n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660240 524150743 /nfs/dbraw/zinc/15/07/43/524150743.db2.gz IYKFHKNNZSHSQO-ABAIWWIYSA-N -1 0 380.897 4.368 10 0 GIAERM COc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3ccccc3)n2)cc1Cl ZINC000073704670 524719019 /nfs/dbraw/zinc/71/90/19/524719019.db2.gz PDULIFCHXMWIHN-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM CSc1cccc(Nc2nc(OCC(=O)[O-])cc(-c3cccc(C)c3)n2)c1 ZINC000073700179 526141053 /nfs/dbraw/zinc/14/10/53/526141053.db2.gz NFMMKTBAPJEYDC-UHFFFAOYSA-N -1 0 381.457 4.381 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073679775 526270229 /nfs/dbraw/zinc/27/02/29/526270229.db2.gz MCZZFBQFDUZWFR-SFHVURJKSA-N -1 0 394.862 4.303 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2cccnc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073679780 526270380 /nfs/dbraw/zinc/27/03/80/526270380.db2.gz BRVLJXKGRRTKJN-SFHVURJKSA-N -1 0 394.862 4.303 10 0 GIAERM O=C([O-])[C@H]1C[C@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000400054753 570264495 /nfs/dbraw/zinc/26/44/95/570264495.db2.gz FINYOQCZMKHUAB-OFNKIYASSA-N -1 0 377.440 4.122 10 0 GIAERM Cc1ccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)cc1C(=O)[O-] ZINC000226858505 570461995 /nfs/dbraw/zinc/46/19/95/570461995.db2.gz IBKRCBQMARTYCB-UHFFFAOYSA-N -1 0 382.393 4.360 10 0 GIAERM O=C([O-])[C@H]1C[C@H]2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C1 ZINC000675068602 570906067 /nfs/dbraw/zinc/90/60/67/570906067.db2.gz BWDQAAQXQMCCCI-KSWFMABOSA-N -1 0 377.440 4.024 10 0 GIAERM O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091347675 570933239 /nfs/dbraw/zinc/93/32/39/570933239.db2.gz WCABBXVDMIPXLX-HZPDHXFCSA-N -1 0 379.456 4.416 10 0 GIAERM O=C([O-])[C@@H]1CC[C@@H](C2CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240479 570973835 /nfs/dbraw/zinc/97/38/35/570973835.db2.gz IVSYSISPGITBQL-SFTDATJTSA-N -1 0 377.440 4.263 10 0 GIAERM COc1ccc(Sc2cc(Cl)nc(N[C@@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC000090547949 206298006 /nfs/dbraw/zinc/29/80/06/206298006.db2.gz WSZUQZDNPBHAHZ-ZDUSSCGKSA-N -1 0 381.885 4.201 10 0 GIAERM Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000627316 206309879 /nfs/dbraw/zinc/30/98/79/206309879.db2.gz BMNCVISEUQFTER-IAGOWNOFSA-N -1 0 380.444 4.077 10 0 GIAERM COc1cccc(OC)c1C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000020333980 207188469 /nfs/dbraw/zinc/18/84/69/207188469.db2.gz FTRGZDNABSUILW-UHFFFAOYSA-N -1 0 383.425 4.383 10 0 GIAERM O=C([O-])CSc1cc(-c2cccnc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073695716 207551986 /nfs/dbraw/zinc/55/19/86/207551986.db2.gz WARPOJWENMTPRM-UHFFFAOYSA-N -1 0 391.374 4.401 10 0 GIAERM CC(=O)Nc1cccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1[O-] ZINC000090759757 208113620 /nfs/dbraw/zinc/11/36/20/208113620.db2.gz BFAMONLHCZVTBJ-UHFFFAOYSA-N -1 0 390.439 4.224 10 0 GIAERM O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000096034593 208254341 /nfs/dbraw/zinc/25/43/41/208254341.db2.gz GCRORTMHBOUYBH-IQMFZBJNSA-N -1 0 377.440 4.122 10 0 GIAERM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl ZINC000032609997 208989213 /nfs/dbraw/zinc/98/92/13/208989213.db2.gz HILJTULJKXFGME-OLZOCXBDSA-N -1 0 396.274 4.068 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000073697835 523113635 /nfs/dbraw/zinc/11/36/35/523113635.db2.gz IYTIFZHVTYXZGH-UHFFFAOYSA-N -1 0 393.443 4.483 10 0 GIAERM COc1ccc(-c2nc(-c3ccccc3)cc(N3CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC000073679352 523185791 /nfs/dbraw/zinc/18/57/91/523185791.db2.gz CXJPMTGVFDUDRW-FQEVSTJZSA-N -1 0 389.455 4.263 10 0 GIAERM CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000073680725 523708121 /nfs/dbraw/zinc/70/81/21/523708121.db2.gz AQBNDVPEMAJMRH-CQSZACIVSA-N -1 0 393.409 4.334 10 0 GIAERM CCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073680659 523793771 /nfs/dbraw/zinc/79/37/71/523793771.db2.gz KETAJLQEESVVCA-ZDUSSCGKSA-N -1 0 379.382 4.026 10 0 GIAERM Cc1cc(-n2nnc(C(=O)[O-])c2-c2cccc(Cl)c2)ccc1Br ZINC000228999271 526080666 /nfs/dbraw/zinc/08/06/66/526080666.db2.gz PSWXRHFFXUNOKG-UHFFFAOYSA-N -1 0 392.640 4.357 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccn3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073680802 526272980 /nfs/dbraw/zinc/27/29/80/526272980.db2.gz YHMDNFVVHBMOMR-OAHLLOKOSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073681837 527565118 /nfs/dbraw/zinc/56/51/18/527565118.db2.gz NDILSNIIVGNTGU-UHFFFAOYSA-N -1 0 394.862 4.160 10 0 GIAERM CCn1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 ZINC000035644369 570406225 /nfs/dbraw/zinc/40/62/25/570406225.db2.gz HGUPDLZHYDGKGB-LLSOJIOMSA-N -1 0 397.446 4.067 10 0 in-vitro GIAERM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c(C)n2C)sc1C ZINC000064668341 570514285 /nfs/dbraw/zinc/51/42/85/570514285.db2.gz FTVQWCSIIBWRLG-UHFFFAOYSA-N -1 0 397.472 4.153 10 0 GIAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000064978445 570623110 /nfs/dbraw/zinc/62/31/10/570623110.db2.gz CCEHQWVCHBIENY-UHFFFAOYSA-N -1 0 389.455 4.367 10 0 GIAERM CCCCN(CC)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000064978686 570623379 /nfs/dbraw/zinc/62/33/79/570623379.db2.gz KKELOUWSKXCDGL-UHFFFAOYSA-N -1 0 375.856 4.312 10 0 GIAERM O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(C2CC2)C1 ZINC000722632481 570700660 /nfs/dbraw/zinc/70/06/60/570700660.db2.gz TTXXCCHMDUESGU-UHFFFAOYSA-N -1 0 391.467 4.416 10 0 GIAERM O=C([O-])C1=CC[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000723252455 570741384 /nfs/dbraw/zinc/74/13/84/570741384.db2.gz XESHCCHWOOKBBO-HNNXBMFYSA-N -1 0 377.440 4.336 10 0 GIAERM O=C([O-])C1C[C@H]2C[C@@H](C1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000725240402 570973956 /nfs/dbraw/zinc/97/39/56/570973956.db2.gz BXRVKYRNEQLRMJ-SJPCQFCGSA-N -1 0 391.467 4.368 10 0 GIAERM C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1CC(=O)[O-] ZINC000725240605 570974843 /nfs/dbraw/zinc/97/48/43/570974843.db2.gz QRBYVHBQKVVCRK-HZPDHXFCSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])[C@@H]1N(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CCCC2 ZINC000725240632 570994499 /nfs/dbraw/zinc/99/44/99/570994499.db2.gz SKAREJGZBNVATM-FQEVSTJZSA-N -1 0 377.440 4.265 10 0 GIAERM C[C@@](CO)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000242723234 231039933 /nfs/dbraw/zinc/03/99/33/231039933.db2.gz YHHKFTNUCINWNV-HSZRJFAPSA-N -1 0 376.452 4.078 10 0 GIAERM Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000627321 206309432 /nfs/dbraw/zinc/30/94/32/206309432.db2.gz BMNCVISEUQFTER-SJORKVTESA-N -1 0 380.444 4.077 10 0 GIAERM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2SCCCc2ccccc2)C1 ZINC000020200732 207183012 /nfs/dbraw/zinc/18/30/12/207183012.db2.gz JEQFAVWAQIPEKL-SFHVURJKSA-N -1 0 383.513 4.348 10 0 GIAERM O=C([O-])c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCC2 ZINC000020334938 207188322 /nfs/dbraw/zinc/18/83/22/207188322.db2.gz OBNIINZFPMSDDZ-UHFFFAOYSA-N -1 0 379.865 4.386 10 0 GIAERM Cc1ccc(NC(=O)CSc2nnc(C=Cc3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000027300500 207324929 /nfs/dbraw/zinc/32/49/29/207324929.db2.gz XSSSJLFRMTVCFY-PKNBQFBNSA-N -1 0 392.484 4.095 10 0 GIAERM COCC[C@H](CC1(C(=O)NCCCc2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000028641139 207346696 /nfs/dbraw/zinc/34/66/96/207346696.db2.gz UOGBJRPKRSUJRU-QGZVFWFLSA-N -1 0 395.927 4.077 10 0 GIAERM CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000039941288 207567406 /nfs/dbraw/zinc/56/74/06/207567406.db2.gz UZUWQRBPFRGMCJ-FZMZJTMJSA-N -1 0 388.291 4.494 10 0 GIAERM CC[C@@H](CCCCO[C@@H]1CCCCO1)COC(=O)c1ccccc1C(=O)[O-] ZINC000077311447 208038741 /nfs/dbraw/zinc/03/87/41/208038741.db2.gz FBMJEFLVACGEPF-LPHOPBHVSA-N -1 0 378.465 4.281 10 0 in-vitro GIAERM CC(C)(C)N(C(=O)[O-])c1ccc(Br)c(I)c1 ZINC000095079844 208151750 /nfs/dbraw/zinc/15/17/50/208151750.db2.gz GIDXPBSMAFZOTM-UHFFFAOYSA-N -1 0 398.038 4.337 10 0 GIAERM CCCOc1ccc(Cc2nnc(S[C@@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000027517351 208919791 /nfs/dbraw/zinc/91/97/91/208919791.db2.gz YNENTWUNHQLHEI-HNNXBMFYSA-N -1 0 397.500 4.212 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(N[C@H](C)CCc3ccccc3)n2)c1 ZINC000073708096 524108476 /nfs/dbraw/zinc/10/84/76/524108476.db2.gz IJKLLCTVJOBTAT-QGZVFWFLSA-N -1 0 391.471 4.349 10 0 GIAERM COc1ccc(Cl)cc1Nc1nc(OCC(=O)[O-])cc(-c2cccc(C)c2)n1 ZINC000073704842 524248401 /nfs/dbraw/zinc/24/84/01/524248401.db2.gz DZCIJBIQWFRVOR-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(Cl)c3)n2)c1 ZINC000073702371 525709383 /nfs/dbraw/zinc/70/93/83/525709383.db2.gz TXYJEMWRKGPDQG-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM C[C@@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675078749 570911022 /nfs/dbraw/zinc/91/10/22/570911022.db2.gz KQEGMZZXQAYARG-KBPBESRZSA-N -1 0 383.469 4.174 10 0 GIAERM C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1CC(=O)[O-] ZINC000725240606 570974805 /nfs/dbraw/zinc/97/48/05/570974805.db2.gz QRBYVHBQKVVCRK-JKSUJKDBSA-N -1 0 379.456 4.368 10 0 GIAERM CCCCCOc1c(Br)cc(CC(=O)[O-])cc1Br ZINC000013643198 206986098 /nfs/dbraw/zinc/98/60/98/206986098.db2.gz DMILDBSUKKQQDG-UHFFFAOYSA-N -1 0 380.076 4.408 10 0 in-vivo GIAERM CN(Cc1ccccc1)c1ncc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000064978530 207824366 /nfs/dbraw/zinc/82/43/66/207824366.db2.gz FKDIVDDHUJEBDF-UHFFFAOYSA-N -1 0 395.846 4.322 10 0 GIAERM CCCC[C@@H](CC)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)[O-] ZINC000073660490 521037401 /nfs/dbraw/zinc/03/74/01/521037401.db2.gz NEWCKGHYRYZDBH-GFCCVEGCSA-N -1 0 382.913 4.443 10 0 GIAERM CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2cccc(OC)c2)n1 ZINC000073698448 521495329 /nfs/dbraw/zinc/49/53/29/521495329.db2.gz DJFHBWRXSLHUIT-UHFFFAOYSA-N -1 0 393.443 4.082 10 0 GIAERM CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000073679708 522145539 /nfs/dbraw/zinc/14/55/39/522145539.db2.gz IUVGVZVFNYSPRY-MRXNPFEDSA-N -1 0 393.409 4.477 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000073697560 523114014 /nfs/dbraw/zinc/11/40/14/523114014.db2.gz LAYQXJPLDBXEEH-UHFFFAOYSA-N -1 0 393.443 4.284 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(SC)c3)n2)cc1 ZINC000073700173 523115353 /nfs/dbraw/zinc/11/53/53/523115353.db2.gz DPNDEFILLPYWDQ-UHFFFAOYSA-N -1 0 397.456 4.081 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)c(Cl)c3)n2)c1 ZINC000073704304 525709551 /nfs/dbraw/zinc/70/95/51/525709551.db2.gz AYAIXFZTOUBITG-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM C[C@H]1CCCC[C@@H]1n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660244 526259739 /nfs/dbraw/zinc/25/97/39/526259739.db2.gz IYKFHKNNZSHSQO-NHYWBVRUSA-N -1 0 380.897 4.368 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccn3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073680551 526273061 /nfs/dbraw/zinc/27/30/61/526273061.db2.gz BPPZXBVONPCQOY-OAHLLOKOSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccn2)nc(-c2cccc(Cl)c2)n1 ZINC000073679566 526320724 /nfs/dbraw/zinc/32/07/24/526320724.db2.gz DUBNJHMKBOFVFS-GOSISDBHSA-N -1 0 394.862 4.303 10 0 GIAERM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1cccc(Br)c1 ZINC000073659523 527461999 /nfs/dbraw/zinc/46/19/99/527461999.db2.gz CGAFWGYDUPPWCN-UHFFFAOYSA-N -1 0 381.682 4.149 10 0 GIAERM O=C([O-])COc1cc(-c2cccnc2)nc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000073702860 527616443 /nfs/dbraw/zinc/61/64/43/527616443.db2.gz RFHYMTNLMGUFLI-UHFFFAOYSA-N -1 0 391.214 4.052 10 0 GIAERM O=C([O-])[C@@H]1C[C@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000400054755 570264556 /nfs/dbraw/zinc/26/45/56/570264556.db2.gz FINYOQCZMKHUAB-REWPJTCUSA-N -1 0 377.440 4.122 10 0 GIAERM C[C@@H]1C[C@@H](C)[C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725261872 570312757 /nfs/dbraw/zinc/31/27/57/570312757.db2.gz LPAJCEZGLLEJOD-PZPWOCDFSA-N -1 0 379.456 4.367 10 0 GIAERM C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000020333716 207188237 /nfs/dbraw/zinc/18/82/37/207188237.db2.gz DDIZFKHHWXYYMN-SNVBAGLBSA-N -1 0 379.865 4.242 10 0 GIAERM O=C([O-])c1ccccc1C(=O)c1cc(Br)ccc1Br ZINC000034939524 207482381 /nfs/dbraw/zinc/48/23/81/207482381.db2.gz RRYGPKCZCOQYBD-UHFFFAOYSA-N -1 0 384.023 4.141 10 0 GIAERM O=C([O-])CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1 ZINC000070915496 207931343 /nfs/dbraw/zinc/93/13/43/207931343.db2.gz PSRJYYXZVGFKEO-UHFFFAOYSA-N -1 0 389.407 4.232 10 0 GIAERM C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000077291623 208035461 /nfs/dbraw/zinc/03/54/61/208035461.db2.gz QKOOLWUCVWTWAH-MZQZJKNOSA-N -1 0 398.565 4.134 10 0 in-vitro GIAERM CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC(C(=O)[O-])CC2)c1C ZINC000073681927 522144856 /nfs/dbraw/zinc/14/48/56/522144856.db2.gz BZLULTODMWWYQL-UHFFFAOYSA-N -1 0 393.409 4.334 10 0 GIAERM CCc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073679653 523793133 /nfs/dbraw/zinc/79/31/33/523793133.db2.gz JUXYGUWYSZMTRC-OAHLLOKOSA-N -1 0 379.382 4.168 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)cc3Cl)n2)c1 ZINC000073704475 525708767 /nfs/dbraw/zinc/70/87/67/525708767.db2.gz LGCYCKKOPZQWBY-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000073679783 526320242 /nfs/dbraw/zinc/32/02/42/526320242.db2.gz ARJBEJHPGYOQGT-GOSISDBHSA-N -1 0 394.862 4.303 10 0 GIAERM CC(C)CN(CC(C)C)c1ncc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000064978710 570623565 /nfs/dbraw/zinc/62/35/65/570623565.db2.gz KFCXKLXRHZYODV-UHFFFAOYSA-N -1 0 375.494 4.212 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000003914811 571684108 /nfs/dbraw/zinc/68/41/08/571684108.db2.gz KXGVEGMKQFWNSR-MFSKYVBHSA-N -1 0 392.580 4.478 10 0 endogenous,in-man GIAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494411 571694234 /nfs/dbraw/zinc/69/42/34/571694234.db2.gz DGABKXLVXPYZII-PLYQRAMGSA-N -1 0 392.580 4.478 10 0 endogenous,in-man GIAERM Cc1cc(OCC(=O)N/C(=C/C=C/c2ccccc2)C(=O)[O-])cc(C)c1Cl ZINC000004227771 206508218 /nfs/dbraw/zinc/50/82/18/206508218.db2.gz ZUKFXBQLLITVPA-XICJKMHVSA-N -1 0 385.847 4.134 10 0 GIAERM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008699228 206759847 /nfs/dbraw/zinc/75/98/47/206759847.db2.gz UYBRLZVMZODNGN-GJZGRUSLSA-N -1 0 394.254 4.430 10 0 GIAERM O=C([O-])[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]2CC[C@@H]1C2 ZINC000038528646 207313404 /nfs/dbraw/zinc/31/34/04/207313404.db2.gz FDSJQWJNLQURMJ-JIQFQSSQSA-N -1 0 377.440 4.169 10 0 GIAERM Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(C(=O)[O-])(CC1)CC2 ZINC000091302120 208114244 /nfs/dbraw/zinc/11/42/44/208114244.db2.gz XPHJNIUFGVRPTA-UHFFFAOYSA-N -1 0 379.382 4.178 10 0 GIAERM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095748961 222359756 /nfs/dbraw/zinc/35/97/56/222359756.db2.gz PUNREVXVOXJACW-JTQLQIEISA-N -1 0 387.276 4.375 10 0 GIAERM CCCCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccnc3)n2)cc1 ZINC000073697897 521286055 /nfs/dbraw/zinc/28/60/55/521286055.db2.gz VPYOOVVDBMPOLQ-UHFFFAOYSA-N -1 0 378.432 4.088 10 0 GIAERM CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCCC[C@H]1C(=O)[O-] ZINC000073679703 523708279 /nfs/dbraw/zinc/70/82/79/523708279.db2.gz CJBWVQRZNQZBIB-INIZCTEOSA-N -1 0 393.409 4.477 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2cccc(F)c2)n1 ZINC000073679266 527659786 /nfs/dbraw/zinc/65/97/86/527659786.db2.gz IOCVJXWYWHHOKF-IBGZPJMESA-N -1 0 377.419 4.393 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccccc2F)n1 ZINC000073679307 527659887 /nfs/dbraw/zinc/65/98/87/527659887.db2.gz BMWQOLIDFLODMX-IBGZPJMESA-N -1 0 377.419 4.393 10 0 GIAERM O=C([O-])[C@@H]1C[C@@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000002567729 560188029 /nfs/dbraw/zinc/18/80/29/560188029.db2.gz UCKHICKHGAOGAP-KGLIPLIRSA-N -1 0 380.231 4.125 10 0 in-vitro GIAERM O=C([O-])c1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1O ZINC000003194658 570332372 /nfs/dbraw/zinc/33/23/72/570332372.db2.gz WAANKCQWUSSPBM-UHFFFAOYSA-N -1 0 384.215 4.195 10 0 GIAERM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C1CCCCC1)C1CCCCC1 ZINC000226857789 570461941 /nfs/dbraw/zinc/46/19/41/570461941.db2.gz RRSVDSNHWINHBS-UHFFFAOYSA-N -1 0 379.522 4.349 10 0 GIAERM CCn1c2ccccc2c(CC(=O)Nc2cc(Cl)ccc2OC)c1C(=O)[O-] ZINC000006720669 570549084 /nfs/dbraw/zinc/54/90/84/570549084.db2.gz HWQINOMMOSIACY-UHFFFAOYSA-N -1 0 386.835 4.203 10 0 GIAERM Cc1ccccc1C(=O)Nc1cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000064978708 570623572 /nfs/dbraw/zinc/62/35/72/570623572.db2.gz LKPBGAWRTYCVGX-UHFFFAOYSA-N -1 0 383.492 4.459 10 0 GIAERM C[C@@H](C(=O)[O-])[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240520 570974450 /nfs/dbraw/zinc/97/44/50/570974450.db2.gz LFMKFKQHJBIJBH-CVEARBPZSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])/C=C/[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725241064 570996245 /nfs/dbraw/zinc/99/62/45/570996245.db2.gz VCSQTRGMKMIWTD-PCUGXKRQSA-N -1 0 377.440 4.288 10 0 GIAERM O=C([O-])C1[C@@H](c2ccccc2)C(C(=O)OCc2ccco2)[C@H]1c1ccccc1 ZINC000000714580 209261721 /nfs/dbraw/zinc/26/17/21/209261721.db2.gz YIALZOMSLUMDMY-WHSGIHJSSA-N -1 0 376.408 4.221 10 0 GIAERM Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc2n1CC(=O)[O-] ZINC000003937537 209229360 /nfs/dbraw/zinc/22/93/60/209229360.db2.gz RYTCSGULAPWMLR-UHFFFAOYSA-N -1 0 398.267 4.174 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000263588945 212030604 /nfs/dbraw/zinc/03/06/04/212030604.db2.gz AJQRAPNIKHYNJX-HJXAIOATSA-N -1 0 390.564 4.398 10 0 GIAERM Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)o1 ZINC000000974522 211499444 /nfs/dbraw/zinc/49/94/44/211499444.db2.gz QZVYVVSSIRSNHN-VGOFMYFVSA-N -1 0 393.873 4.194 10 0 GIAERM CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](CC(=O)[O-])CC2)cc1 ZINC000100073838 211381940 /nfs/dbraw/zinc/38/19/40/211381940.db2.gz FUIYMYNYUHVDPT-OKILXGFUSA-N -1 0 394.475 4.099 10 0 GIAERM O=C([O-])c1c(F)cc(F)cc1Nc1ccc(I)cc1F ZINC000098178237 211379641 /nfs/dbraw/zinc/37/96/41/211379641.db2.gz UZZHOCXAACMGDB-UHFFFAOYSA-N -1 0 393.102 4.150 10 0 GIAERM O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000096034591 211294689 /nfs/dbraw/zinc/29/46/89/211294689.db2.gz GCRORTMHBOUYBH-CMJOXMDJSA-N -1 0 377.440 4.122 10 0 GIAERM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1 ZINC000095748938 211282606 /nfs/dbraw/zinc/28/26/06/211282606.db2.gz JAVDQXYAZCMANV-OAQYLSRUSA-N -1 0 389.407 4.057 10 0 GIAERM Cc1c(CC(=O)[O-])c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000043128872 211127759 /nfs/dbraw/zinc/12/77/59/211127759.db2.gz NQPHDPSGGJDABT-UHFFFAOYSA-N -1 0 378.211 4.278 10 0 GIAERM C[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000020333719 210329905 /nfs/dbraw/zinc/32/99/05/210329905.db2.gz DDIZFKHHWXYYMN-JTQLQIEISA-N -1 0 379.865 4.242 10 0 GIAERM COc1cccc(OCC(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])c1 ZINC000020334040 210329472 /nfs/dbraw/zinc/32/94/72/210329472.db2.gz QCZNKRLRZRGFBH-UHFFFAOYSA-N -1 0 383.425 4.139 10 0 GIAERM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCCC3)c2C(=O)[O-])C1 ZINC000020342392 210328461 /nfs/dbraw/zinc/32/84/61/210328461.db2.gz FIJBUCDRJFBJMK-CYBMUJFWSA-N -1 0 378.538 4.022 10 0 GIAERM Cc1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334468 210328233 /nfs/dbraw/zinc/32/82/33/210328233.db2.gz YCHBSTGGNJKTOJ-UHFFFAOYSA-N -1 0 381.409 4.403 10 0 GIAERM O=C([O-])[C@@H]1CCCN1c1ncnc2scc(-c3ccc4c(c3)CCCC4)c21 ZINC000020318185 210327797 /nfs/dbraw/zinc/32/77/97/210327797.db2.gz GUMWREQXPYGRKN-KRWDZBQOSA-N -1 0 379.485 4.291 10 0 GIAERM CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2cccc(C)c2)n1 ZINC000073698454 521494475 /nfs/dbraw/zinc/49/44/75/521494475.db2.gz GRLWBAHZRCFONE-UHFFFAOYSA-N -1 0 377.444 4.382 10 0 GIAERM Cc1ccc(Cn2cc(C(=O)[O-])c(=O)c3cc(Br)ccc32)c(C)c1 ZINC000057344044 524771763 /nfs/dbraw/zinc/77/17/63/524771763.db2.gz XYCINEXGKGYBKE-UHFFFAOYSA-N -1 0 386.245 4.127 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3cccnc3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073680792 526323777 /nfs/dbraw/zinc/32/37/77/526323777.db2.gz VDGPZSAUWPJVMF-INIZCTEOSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])COc1nc(Nc2ccc(Oc3ccccc3)cc2)nc2c1CCCC2 ZINC000073700016 527619537 /nfs/dbraw/zinc/61/95/37/527619537.db2.gz PFDBEQAGLBKWFT-UHFFFAOYSA-N -1 0 391.427 4.355 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000012495991 571694931 /nfs/dbraw/zinc/69/49/31/571694931.db2.gz KXGVEGMKQFWNSR-BYGCHKRWSA-N -1 0 392.580 4.478 10 0 endogenous,in-man GIAERM O=C([O-])c1cc(NC(=O)c2cccs2)cnc1N1CC[C@H](c2ccccc2)C1 ZINC000064979001 570623362 /nfs/dbraw/zinc/62/33/62/570623362.db2.gz ZELIBSNAOBHWFE-HNNXBMFYSA-N -1 0 393.468 4.088 10 0 GIAERM CC(C)[C@H]1[C@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000399740059 570663548 /nfs/dbraw/zinc/66/35/48/570663548.db2.gz XCPJSOLNGLRHTF-CTNGQTDRSA-N -1 0 379.456 4.367 10 0 GIAERM O=C([O-])C[C@@H]1CCC12CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000722401985 570700332 /nfs/dbraw/zinc/70/03/32/570700332.db2.gz JWDIRVCZQHHWKU-HNNXBMFYSA-N -1 0 377.440 4.122 10 0 GIAERM O=C([O-])[C@H]1CCCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091347669 570933301 /nfs/dbraw/zinc/93/33/01/570933301.db2.gz WCABBXVDMIPXLX-HOTGVXAUSA-N -1 0 379.456 4.416 10 0 GIAERM C[C@H]1C[C@H](CC(=O)[O-])CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240598 570974891 /nfs/dbraw/zinc/97/48/91/570974891.db2.gz PQSJBKDGYSOSKR-JKSUJKDBSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])/C=C/[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725241063 570996171 /nfs/dbraw/zinc/99/61/71/570996171.db2.gz VCSQTRGMKMIWTD-LPQFERQCSA-N -1 0 377.440 4.288 10 0 GIAERM O=C([O-])C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Br ZINC000015782065 210170115 /nfs/dbraw/zinc/17/01/15/210170115.db2.gz WUFXZKDXRXMKRM-MRXNPFEDSA-N -1 0 389.249 4.055 10 0 GIAERM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627692 209251947 /nfs/dbraw/zinc/25/19/47/209251947.db2.gz ISPHKUCWIYQPKV-UHFFFAOYSA-N -1 0 378.359 4.029 10 0 GIAERM COc1ccccc1C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000004696862 209190686 /nfs/dbraw/zinc/19/06/86/209190686.db2.gz CZMCPHILOAOSIJ-LBPRGKRZSA-N -1 0 382.243 4.274 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000073702452 210746652 /nfs/dbraw/zinc/74/66/52/210746652.db2.gz KDXLIKZQMGSXTK-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Cl)n2)cc1 ZINC000073702300 523116421 /nfs/dbraw/zinc/11/64/21/523116421.db2.gz LYLBIEJRZBIPBY-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(NCCc3ccc(Cl)cc3)n2)c1 ZINC000073707715 524107737 /nfs/dbraw/zinc/10/77/37/524107737.db2.gz XBEZRNJWUHCECN-UHFFFAOYSA-N -1 0 397.862 4.223 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2cccnc2)nc(-c2cccc(Cl)c2)n1 ZINC000073679557 526320294 /nfs/dbraw/zinc/32/02/94/526320294.db2.gz DHGRHAWAXHLJFU-GOSISDBHSA-N -1 0 394.862 4.303 10 0 GIAERM O=C([O-])c1nnn(-c2ccc(Br)cc2)c1-c1cccc(Cl)c1 ZINC000228999104 526411683 /nfs/dbraw/zinc/41/16/83/526411683.db2.gz SINXGFFIXFCKQJ-UHFFFAOYSA-N -1 0 378.613 4.048 10 0 GIAERM CCc1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)oc1C(=O)[O-] ZINC000536956091 570470146 /nfs/dbraw/zinc/47/01/46/570470146.db2.gz XPEGCTPCRNPREI-UHFFFAOYSA-N -1 0 378.384 4.296 10 0 GIAERM O=C([O-])[C@@H]1C2CCC(CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000253183022 570826859 /nfs/dbraw/zinc/82/68/59/570826859.db2.gz JYRVARBAKGORKU-XFMWISLNSA-N -1 0 377.440 4.263 10 0 GIAERM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1cccnc1 ZINC000226779971 570936301 /nfs/dbraw/zinc/93/63/01/570936301.db2.gz KDFQZQJXEPNEOJ-NRFANRHFSA-N -1 0 388.423 4.088 10 0 GIAERM O=C([O-])[C@H]1CC[C@@H](C2CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240476 570974107 /nfs/dbraw/zinc/97/41/07/570974107.db2.gz IVSYSISPGITBQL-LEWJYISDSA-N -1 0 377.440 4.263 10 0 GIAERM CC[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@]1(F)C(=O)[O-] ZINC000725240613 570974897 /nfs/dbraw/zinc/97/48/97/570974897.db2.gz RAMHHJHXEDGDGS-RCDICMHDSA-N -1 0 383.419 4.070 10 0 GIAERM CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013780179 210090197 /nfs/dbraw/zinc/09/01/97/210090197.db2.gz MENQCIVHHONJLU-YZRLXODZSA-N -1 0 398.565 4.422 10 0 GIAERM Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn4c(cccc4C)n3)c2)c1 ZINC000002502429 209368204 /nfs/dbraw/zinc/36/82/04/209368204.db2.gz LUTALJFHZBMFPN-UHFFFAOYSA-N -1 0 377.469 4.419 10 0 GIAERM O=C([O-])c1c(O)c(Cc2c[nH]c3ccccc23)nc2c(Br)cccc21 ZINC000035087102 209246248 /nfs/dbraw/zinc/24/62/48/209246248.db2.gz IMFBQTGPQZPLSK-UHFFFAOYSA-N -1 0 397.228 4.473 10 0 GIAERM O=C([O-])c1c(O)c(Cc2c[nH]c3ccccc23)nc2cc(Br)ccc21 ZINC000035087109 209245858 /nfs/dbraw/zinc/24/58/58/209245858.db2.gz QDJMJNPXRLKMOG-UHFFFAOYSA-N -1 0 397.228 4.473 10 0 GIAERM COc1cc([O-])cc2occ(-c3cc(O)c(OC)c(CC=C(C)C)c3)c(=O)c12 ZINC000014763003 209235773 /nfs/dbraw/zinc/23/57/73/209235773.db2.gz UWXYUEZCGLSJLG-UHFFFAOYSA-N -1 0 382.412 4.397 10 0 GIAERM COc1ccc(C(=O)n2c(C)c(C(=O)[O-])c3ccccc32)cc1Br ZINC000226367825 211482298 /nfs/dbraw/zinc/48/22/98/211482298.db2.gz MBHZFJXVWPUWKX-UHFFFAOYSA-N -1 0 388.217 4.108 10 0 GIAERM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccco1 ZINC000095750653 211281860 /nfs/dbraw/zinc/28/18/60/211281860.db2.gz BZMTZOMASQYPJJ-OAHLLOKOSA-N -1 0 391.423 4.062 10 0 GIAERM O=C([O-])c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCCC2 ZINC000020334918 210328743 /nfs/dbraw/zinc/32/87/43/210328743.db2.gz MZBQWSLTFGYBDS-UHFFFAOYSA-N -1 0 384.251 4.323 10 0 GIAERM CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000073699901 519833553 /nfs/dbraw/zinc/83/35/53/519833553.db2.gz GMGDBMNZLQPWHA-UHFFFAOYSA-N -1 0 393.443 4.386 10 0 GIAERM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)C1CCCCC1 ZINC000226353711 534543251 /nfs/dbraw/zinc/54/32/51/534543251.db2.gz HGHDEQRLHDCCSS-UHFFFAOYSA-N -1 0 375.277 4.085 10 0 GIAERM CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000073699998 521383478 /nfs/dbraw/zinc/38/34/78/521383478.db2.gz AFHDNKRAHBFIFI-UHFFFAOYSA-N -1 0 379.416 4.428 10 0 GIAERM CCc1ccc(CNc2nc(OCC(=O)[O-])cc(-c3cccc(C)c3)n2)cc1 ZINC000073705394 523948645 /nfs/dbraw/zinc/94/86/45/523948645.db2.gz MZBSPAKXOYLDAZ-UHFFFAOYSA-N -1 0 377.444 4.090 10 0 GIAERM C[C@@H](CCc1ccccc1)Nc1nc(OCC(=O)[O-])cc(-c2ccccc2)n1 ZINC000073707911 524537071 /nfs/dbraw/zinc/53/70/71/524537071.db2.gz LVAXNYLVEBMUEL-INIZCTEOSA-N -1 0 377.444 4.040 10 0 GIAERM O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000073698106 527616646 /nfs/dbraw/zinc/61/66/46/527616646.db2.gz IHYIEQKDOMORHS-UHFFFAOYSA-N -1 0 398.422 4.413 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004654659 560198921 /nfs/dbraw/zinc/19/89/21/560198921.db2.gz LNOFKAWCANXKAC-LLQZFEROSA-N -1 0 390.564 4.254 10 0 in-vitro GIAERM O=C([O-])[C@@H]1CCCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091347673 570933279 /nfs/dbraw/zinc/93/32/79/570933279.db2.gz WCABBXVDMIPXLX-JKSUJKDBSA-N -1 0 379.456 4.416 10 0 GIAERM O=C([O-])CSC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240493 570973917 /nfs/dbraw/zinc/97/39/17/570973917.db2.gz JLVRIMPZFVGYCB-UHFFFAOYSA-N -1 0 397.496 4.218 10 0 GIAERM C[C@@H]1C[C@@H](CC(=O)[O-])CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240595 570974980 /nfs/dbraw/zinc/97/49/80/570974980.db2.gz PQSJBKDGYSOSKR-CVEARBPZSA-N -1 0 379.456 4.368 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000009214628 571001705 /nfs/dbraw/zinc/00/17/05/571001705.db2.gz DGABKXLVXPYZII-GMNYSZHOSA-N -1 0 392.580 4.478 10 0 GIAERM O=c1[n-]c(Nc2ccc(C(F)(F)F)cc2)nnc1Cc1ccccc1Cl ZINC000002718993 209379405 /nfs/dbraw/zinc/37/94/05/209379405.db2.gz SMTXBTZJMGXEML-UHFFFAOYSA-N -1 0 380.757 4.172 10 0 GIAERM Cc1nn(-c2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002631219 209372826 /nfs/dbraw/zinc/37/28/26/209372826.db2.gz CITLAZVCZKSNTI-UHFFFAOYSA-N -1 0 379.844 4.082 10 0 GIAERM Cc1ccccc1C(=O)NC(=S)Nc1ccccc1-c1ccc(C(=O)[O-])o1 ZINC000226354957 211481647 /nfs/dbraw/zinc/48/16/47/211481647.db2.gz VZWQXVHLSUUYEB-UHFFFAOYSA-N -1 0 380.425 4.080 10 0 GIAERM Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)cc1 ZINC000226354885 211481114 /nfs/dbraw/zinc/48/11/14/211481114.db2.gz ZOVBHBOWDGPUHU-UHFFFAOYSA-N -1 0 383.256 4.127 10 0 GIAERM O=C([O-])c1c2c(sc1NC(=O)c1cc3ccccc3oc1=O)CCCCC2 ZINC000020334973 210328975 /nfs/dbraw/zinc/32/89/75/210328975.db2.gz GFFQJLMHMSXLNF-UHFFFAOYSA-N -1 0 383.425 4.074 10 0 GIAERM CCOc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1OC ZINC000020332851 210328760 /nfs/dbraw/zinc/32/87/60/210328760.db2.gz QBCPDTIBFHDYRE-VQHVLOKHSA-N -1 0 375.446 4.122 10 0 GIAERM COc1ccc(-c2nc(-c3ccccc3)cc(N3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000073680287 523185417 /nfs/dbraw/zinc/18/54/17/523185417.db2.gz LGWIUIXPGMSFTG-GOSISDBHSA-N -1 0 389.455 4.120 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(NCc3ccc(Cl)cc3)n2)c1 ZINC000073706596 524107446 /nfs/dbraw/zinc/10/74/46/524107446.db2.gz OZWSEOFCQRTNNY-UHFFFAOYSA-N -1 0 383.835 4.181 10 0 GIAERM O=C([O-])[C@@H]1C[C@@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000400054752 570264733 /nfs/dbraw/zinc/26/47/33/570264733.db2.gz FINYOQCZMKHUAB-NZQKXSOJSA-N -1 0 377.440 4.122 10 0 GIAERM C[C@@H]1C[C@@H](C)[C@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725261873 570312812 /nfs/dbraw/zinc/31/28/12/570312812.db2.gz LPAJCEZGLLEJOD-VTJXTGGHSA-N -1 0 379.456 4.367 10 0 GIAERM CC(C)[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000399740064 570663550 /nfs/dbraw/zinc/66/35/50/570663550.db2.gz XCPJSOLNGLRHTF-PZJWPPBQSA-N -1 0 379.456 4.367 10 0 GIAERM CCC1CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000722628970 570700812 /nfs/dbraw/zinc/70/08/12/570700812.db2.gz JEZHNDQLMBUBOE-UHFFFAOYSA-N -1 0 379.456 4.416 10 0 GIAERM O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCSCC1 ZINC000725245681 571045394 /nfs/dbraw/zinc/04/53/94/571045394.db2.gz XKFBURWMRXDTHH-UHFFFAOYSA-N -1 0 397.496 4.123 10 0 GIAERM O=C([O-])COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016906548 210198267 /nfs/dbraw/zinc/19/82/67/210198267.db2.gz DBKPOOFJOKLSKW-OQLLNIDSSA-N -1 0 389.816 4.044 10 0 GIAERM Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000000627523 209251435 /nfs/dbraw/zinc/25/14/35/209251435.db2.gz XDWGRABQBLKWKN-SJORKVTESA-N -1 0 380.444 4.077 10 0 GIAERM O=C([O-])c1c(O)c(Cc2c[nH]c3ccccc23)nc2ccc(Br)cc21 ZINC000035087110 209245531 /nfs/dbraw/zinc/24/55/31/209245531.db2.gz DUAWFMBMQUYEPW-UHFFFAOYSA-N -1 0 397.228 4.473 10 0 GIAERM Cc1noc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1Br ZINC000026404914 209244289 /nfs/dbraw/zinc/24/42/89/209244289.db2.gz KMCRCRNDCWERHK-UHFFFAOYSA-N -1 0 393.262 4.213 10 0 GIAERM O=C1O[C@H](c2ccc(O[P@@](=O)([O-])Oc3ccc(O)cc3)cc2)c2ccccc21 ZINC000006117503 209233062 /nfs/dbraw/zinc/23/30/62/209233062.db2.gz ANAZDOWEOOFEET-LJQANCHMSA-N -1 0 398.307 4.210 10 0 GIAERM CCCCCC(=O)NC(=S)Nc1ccc(OC)c(-c2ccc(C(=O)[O-])o2)c1 ZINC000226351212 211481901 /nfs/dbraw/zinc/48/19/01/211481901.db2.gz QSZPWWROXOOLDM-UHFFFAOYSA-N -1 0 390.461 4.047 10 0 GIAERM O=C([O-])c1cc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)ccc1Cl ZINC000013076792 210788634 /nfs/dbraw/zinc/78/86/34/210788634.db2.gz QRMCFOGECIJENI-UHFFFAOYSA-N -1 0 381.620 4.113 10 0 GIAERM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1c[nH]cn1 ZINC000033169036 210629224 /nfs/dbraw/zinc/62/92/24/210629224.db2.gz CKTHWLLWENWWFB-UHFFFAOYSA-N -1 0 390.877 4.141 10 0 GIAERM O=C([O-])c1cc(Br)ccc1OCc1ccccc1Br ZINC000020362798 210329515 /nfs/dbraw/zinc/32/95/15/210329515.db2.gz VVLILLQCMFVMGQ-UHFFFAOYSA-N -1 0 386.039 4.489 10 0 GIAERM CCCc1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073681910 521365757 /nfs/dbraw/zinc/36/57/57/521365757.db2.gz VXRFWQLKOFVOAO-UHFFFAOYSA-N -1 0 393.409 4.416 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)cc3Cl)n2)cc1 ZINC000073704480 523113489 /nfs/dbraw/zinc/11/34/89/523113489.db2.gz WJDRTMSIYURKGH-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(N[C@H]3CCc4ccccc43)n2)c1 ZINC000073708289 524107486 /nfs/dbraw/zinc/10/74/86/524107486.db2.gz OFIVIHIRZGIBAL-SFHVURJKSA-N -1 0 375.428 4.015 10 0 GIAERM C[C@@H](CCc1ccccc1)n1c(=O)c2ccccc2nc1SCCC(=O)[O-] ZINC000073660072 524536233 /nfs/dbraw/zinc/53/62/33/524536233.db2.gz NHJYJAIRBDVWKO-HNNXBMFYSA-N -1 0 382.485 4.157 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3c(C)cc(C)cc3C)n2)c1 ZINC000073697558 525708027 /nfs/dbraw/zinc/70/80/27/525708027.db2.gz QNUPCHWBBDDTLE-UHFFFAOYSA-N -1 0 393.443 4.284 10 0 GIAERM O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662602 527593001 /nfs/dbraw/zinc/59/30/01/527593001.db2.gz FNVMPJXSFFKFIJ-UHFFFAOYSA-N -1 0 389.333 4.078 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000003918157 570353562 /nfs/dbraw/zinc/35/35/62/570353562.db2.gz KXGVEGMKQFWNSR-WFTUMUMQSA-N -1 0 392.580 4.478 10 0 endogenous,in-man GIAERM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2cc3cc(F)ccc3[nH]2)c1 ZINC000033106143 570402171 /nfs/dbraw/zinc/40/21/71/570402171.db2.gz BSLXKTWUWSKGJK-UHFFFAOYSA-N -1 0 385.420 4.380 10 0 GIAERM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000008608498 570740705 /nfs/dbraw/zinc/74/07/05/570740705.db2.gz VVPWBWNODLGYAO-UHFFFAOYSA-N -1 0 384.457 4.419 10 0 GIAERM O=C([O-])C12CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(CC1)C2 ZINC000253182978 570826880 /nfs/dbraw/zinc/82/68/80/570826880.db2.gz JNSFAJAGTIACTH-UHFFFAOYSA-N -1 0 377.440 4.313 10 0 GIAERM C[C@@]1(c2ccc(F)cc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000006067380 209233352 /nfs/dbraw/zinc/23/33/52/209233352.db2.gz DPESQQIBUVKMFX-SFHVURJKSA-N -1 0 383.202 4.293 10 0 GIAERM O=S(=O)([N-]c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F ZINC000000538316 209226701 /nfs/dbraw/zinc/22/67/01/209226701.db2.gz GOHUJGMYCZDYDF-UHFFFAOYSA-N -1 0 382.363 4.075 10 0 in-man GIAERM Cn1c(=O)c(SCc2cccs2)n[n-]c1=Nc1cc(Cl)cc(Cl)c1 ZINC000334163259 209177785 /nfs/dbraw/zinc/17/77/85/209177785.db2.gz YBKSQUXOBXXTEV-UHFFFAOYSA-N -1 0 399.328 4.001 10 0 GIAERM CC(=O)C=C([O-])c1c(Br)cc(Br)cc1Br ZINC000238083037 211971528 /nfs/dbraw/zinc/97/15/28/211971528.db2.gz QLXHUXCSODUHCA-UHFFFAOYSA-N -1 0 398.876 4.136 10 0 GIAERM O=C([O-])[C@H](CCOc1ccccc1)Oc1ccc(Cl)cc1Br ZINC000095081125 211218198 /nfs/dbraw/zinc/21/81/98/211218198.db2.gz BCZIWMOABUFYNY-HNNXBMFYSA-N -1 0 385.641 4.404 10 0 GIAERM C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(=O)[O-])C1 ZINC000020333785 210328524 /nfs/dbraw/zinc/32/85/24/210328524.db2.gz ZGVAHLSEPFHTIK-ZETCQYMHSA-N -1 0 384.251 4.179 10 0 GIAERM Cc1nc2sc3c(c2c(N[C@@H](Cc2ccccc2)C(=O)[O-])n1)CC[C@@H](C)C3 ZINC000020316381 210327237 /nfs/dbraw/zinc/32/72/37/210327237.db2.gz OBBNIISKQKSUHQ-WBMJQRKESA-N -1 0 381.501 4.232 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Cl)cc3F)n2)c1 ZINC000073703449 524107699 /nfs/dbraw/zinc/10/76/99/524107699.db2.gz QFZQGIKRDJFHCL-UHFFFAOYSA-N -1 0 387.798 4.452 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(SC)c3)n2)c1 ZINC000073700168 525709437 /nfs/dbraw/zinc/70/94/37/525709437.db2.gz WAQIIIFCMOGDJR-UHFFFAOYSA-N -1 0 397.456 4.081 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3ccccn3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073681841 527565478 /nfs/dbraw/zinc/56/54/78/527565478.db2.gz WZUWWTVKKHZZPN-UHFFFAOYSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(F)c(Cl)c2)n1 ZINC000073709020 527616113 /nfs/dbraw/zinc/61/61/13/527616113.db2.gz AJWYXJSLKCXQRL-UHFFFAOYSA-N -1 0 387.798 4.012 10 0 GIAERM O=C([O-])CCSCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725262482 570319711 /nfs/dbraw/zinc/31/97/11/570319711.db2.gz LOXHHCLFFCKBDZ-UHFFFAOYSA-N -1 0 385.485 4.123 10 0 GIAERM O=C([O-])c1ccc(N=C2C[C@@H](c3ccccc3)N(c3ccccc3)C2=O)cc1O ZINC000005741148 570454741 /nfs/dbraw/zinc/45/47/41/570454741.db2.gz ABUZOCGUVVHUGO-FQEVSTJZSA-N -1 0 386.407 4.174 10 0 GIAERM CCCCC(F)(F)C(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-] ZINC000504015725 570763222 /nfs/dbraw/zinc/76/32/22/570763222.db2.gz DBVFKLAGQHYVGQ-ZOBUZTSGSA-N -1 0 390.467 4.153 10 0 GIAERM C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1CC(=O)[O-] ZINC000725240604 570974788 /nfs/dbraw/zinc/97/47/88/570974788.db2.gz QRBYVHBQKVVCRK-HOTGVXAUSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)o1 ZINC000226352947 231037202 /nfs/dbraw/zinc/03/72/02/231037202.db2.gz ONEZACTVAMMQSP-UHFFFAOYSA-N -1 0 377.805 4.099 10 0 GIAERM COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000000607398 209250926 /nfs/dbraw/zinc/25/09/26/209250926.db2.gz WSJYANUXYPFGPR-UHFFFAOYSA-N -1 0 391.345 4.293 10 0 GIAERM Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000000627518 209252004 /nfs/dbraw/zinc/25/20/04/209252004.db2.gz XDWGRABQBLKWKN-IAGOWNOFSA-N -1 0 380.444 4.077 10 0 GIAERM Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)[O-] ZINC000034167242 209246033 /nfs/dbraw/zinc/24/60/33/209246033.db2.gz ZZDMFZHPXFLHPJ-UHFFFAOYSA-N -1 0 398.267 4.174 10 0 GIAERM COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2OC)cc(CC=C(C)C)c1O ZINC000101775737 209243512 /nfs/dbraw/zinc/24/35/12/209243512.db2.gz TVJIUFQDDVFOCS-UHFFFAOYSA-N -1 0 398.411 4.103 10 0 GIAERM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583291 211614768 /nfs/dbraw/zinc/61/47/68/211614768.db2.gz RAQPAPMBITVVOX-ZVLVQXPOSA-N -1 0 377.440 4.024 10 0 GIAERM O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000073703659 210746771 /nfs/dbraw/zinc/74/67/71/210746771.db2.gz BVGXBAMPCCZDCZ-UHFFFAOYSA-N -1 0 389.333 4.369 10 0 GIAERM O=C([O-])COc1cc(-c2ccncc2)nc(Nc2cc(Cl)ccc2Cl)n1 ZINC000073702704 210746236 /nfs/dbraw/zinc/74/62/36/210746236.db2.gz DVLFZJHOYHAVEB-UHFFFAOYSA-N -1 0 391.214 4.052 10 0 GIAERM C[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3Cl)c2C(=O)[O-])C1 ZINC000020333821 210329993 /nfs/dbraw/zinc/32/99/93/210329993.db2.gz POIUZRYCICZWJL-SNVBAGLBSA-N -1 0 379.865 4.242 10 0 GIAERM Cc1nc2sc3c(c2c(N[C@H](Cc2ccccc2)C(=O)[O-])n1)CC[C@H](C)C3 ZINC000020316395 210327676 /nfs/dbraw/zinc/32/76/76/210327676.db2.gz OBBNIISKQKSUHQ-BLLLJJGKSA-N -1 0 381.501 4.232 10 0 GIAERM O=C([O-])c1cc(Cl)c(NC(=S)NC(=O)C2CCCCC2)c(Cl)c1 ZINC000226354673 534543468 /nfs/dbraw/zinc/54/34/68/534543468.db2.gz ULSRTYKMPSYVFN-UHFFFAOYSA-N -1 0 375.277 4.085 10 0 GIAERM CCc1nc(Nc2ccc(OCc3ccccc3)cc2)nc(OCC(=O)[O-])c1C ZINC000073699941 522405964 /nfs/dbraw/zinc/40/59/64/522405964.db2.gz SJCMAKGTOQJFKQ-UHFFFAOYSA-N -1 0 393.443 4.133 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(Cl)ccc3C)n2)cc1 ZINC000073704394 523112864 /nfs/dbraw/zinc/11/28/64/523112864.db2.gz MQWFGUHRJYXOTJ-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM C[C@H](CCc1ccccc1)Nc1nc(OCC(=O)[O-])cc(-c2ccccc2)n1 ZINC000073707916 524248855 /nfs/dbraw/zinc/24/88/55/524248855.db2.gz LVAXNYLVEBMUEL-MRXNPFEDSA-N -1 0 377.444 4.040 10 0 GIAERM CSc1ccc(CNc2nc(OCC(=O)[O-])cc(-c3ccc(C)cc3)n2)cc1 ZINC000073706256 526006989 /nfs/dbraw/zinc/00/69/89/526006989.db2.gz XAQCTOFRAXZUEK-UHFFFAOYSA-N -1 0 395.484 4.249 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)C1 ZINC000073680240 526272741 /nfs/dbraw/zinc/27/27/41/526272741.db2.gz KZTFGOULHVSIAJ-MRXNPFEDSA-N -1 0 377.419 4.251 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073679772 526320536 /nfs/dbraw/zinc/32/05/36/526320536.db2.gz MCZZFBQFDUZWFR-GOSISDBHSA-N -1 0 394.862 4.303 10 0 GIAERM CC(=O)Nc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)cc1 ZINC000006733049 570381781 /nfs/dbraw/zinc/38/17/81/570381781.db2.gz DPFFXCGHLADDPE-UHFFFAOYSA-N -1 0 386.411 4.257 10 0 GIAERM CCCCN(CC)c1ncc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000064978694 570623497 /nfs/dbraw/zinc/62/34/97/570623497.db2.gz CSVWUKMPKDSPKA-UHFFFAOYSA-N -1 0 375.856 4.312 10 0 GIAERM Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1I ZINC000095596718 211281121 /nfs/dbraw/zinc/28/11/21/211281121.db2.gz YOMJMKJSWNGKRE-UHFFFAOYSA-N -1 0 387.604 4.211 10 0 GIAERM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cc(Br)cs1 ZINC000090557517 211034525 /nfs/dbraw/zinc/03/45/25/211034525.db2.gz VTKKMQPZSIZLDU-UHFFFAOYSA-N -1 0 386.214 4.330 10 0 GIAERM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccc(C(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC000039941277 210765416 /nfs/dbraw/zinc/76/54/16/210765416.db2.gz JTDNQPTVELMLHP-UKRRQHHQSA-N -1 0 387.398 4.206 10 0 GIAERM Cc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(OCC(=O)[O-])cc1 ZINC000020340568 210329013 /nfs/dbraw/zinc/32/90/13/210329013.db2.gz TXMRFIYEFXOLAY-UHFFFAOYSA-N -1 0 382.441 4.143 10 0 GIAERM CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC[C@H]2C(=O)[O-])c1C ZINC000073679713 522145349 /nfs/dbraw/zinc/14/53/49/522145349.db2.gz IUVGVZVFNYSPRY-INIZCTEOSA-N -1 0 393.409 4.477 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(Cl)c3C)n2)cc1 ZINC000073704216 523115451 /nfs/dbraw/zinc/11/54/51/523115451.db2.gz VIRLPMNRYLHMLT-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM COc1ccc(-c2nc(-c3ccccc3)cc(N3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000073679345 523186063 /nfs/dbraw/zinc/18/60/63/523186063.db2.gz CXJPMTGVFDUDRW-HXUWFJFHSA-N -1 0 389.455 4.263 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073680529 526323581 /nfs/dbraw/zinc/32/35/81/526323581.db2.gz YODSRFOXOIUEKW-INIZCTEOSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])c1cn(-c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)cn1 ZINC000073681124 526401721 /nfs/dbraw/zinc/40/17/21/526401721.db2.gz UNKKENMIBISFJV-UHFFFAOYSA-N -1 0 376.803 4.348 10 0 GIAERM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccc(Br)cc1 ZINC000073659528 527459910 /nfs/dbraw/zinc/45/99/10/527459910.db2.gz DVZBLAOYNBQJLN-UHFFFAOYSA-N -1 0 381.682 4.149 10 0 GIAERM O=C([O-])CC12CCC(CC1)N2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000714119677 570501740 /nfs/dbraw/zinc/50/17/40/570501740.db2.gz LNMLNWYRYFTIPS-UHFFFAOYSA-N -1 0 377.440 4.407 10 0 GIAERM COc1cc(Br)c2[nH]c(C(=O)[O-])cc2c1OCc1ccccc1 ZINC000038478352 570579778 /nfs/dbraw/zinc/57/97/78/570579778.db2.gz PPRVDOZHUWKWFZ-UHFFFAOYSA-N -1 0 376.206 4.216 10 0 GIAERM O=C([O-])c1cc(NC(=O)c2ccccc2)cnc1N1CC[C@H](c2ccccc2)C1 ZINC000064979003 570623425 /nfs/dbraw/zinc/62/34/25/570623425.db2.gz CKTJPCYFMOOXRP-SFHVURJKSA-N -1 0 387.439 4.026 10 0 GIAERM O=C([O-])C1=CC[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000723252456 570741323 /nfs/dbraw/zinc/74/13/23/570741323.db2.gz XESHCCHWOOKBBO-OAHLLOKOSA-N -1 0 377.440 4.336 10 0 GIAERM C[C@H](C(=O)[O-])[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240521 570974292 /nfs/dbraw/zinc/97/42/92/570974292.db2.gz LFMKFKQHJBIJBH-HOTGVXAUSA-N -1 0 379.456 4.368 10 0 GIAERM CCc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cc1 ZINC000226354653 529601066 /nfs/dbraw/zinc/60/10/66/529601066.db2.gz VLOWVRQPRGJXIH-UHFFFAOYSA-N -1 0 397.283 4.381 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000263588947 222781862 /nfs/dbraw/zinc/78/18/62/222781862.db2.gz AJQRAPNIKHYNJX-QCIGYXBISA-N -1 0 390.564 4.398 10 0 GIAERM CC(C)=CCOc1cc(O)c2c(c1)cc1c(c2O)C(=O)C[C@@](C)(OC(C)=O)C1 ZINC000013480351 291135209 /nfs/dbraw/zinc/13/52/09/291135209.db2.gz JZZYGSWFNIPCJJ-QFIPXVFZSA-N -1 0 384.428 4.047 10 0 biogenic,in-vitro GIAERM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccn1-c1ccccc1 ZINC000001178151 212225917 /nfs/dbraw/zinc/22/59/17/212225917.db2.gz BODQPGPCOUETEQ-SSZFMOIBSA-N -1 0 391.427 4.288 10 0 GIAERM O=C([O-])[C@H]1C[C@@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000006344455 220930834 /nfs/dbraw/zinc/93/08/34/220930834.db2.gz UCKHICKHGAOGAP-ZIAGYGMSSA-N -1 0 380.231 4.125 10 0 GIAERM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)c1 ZINC000015677202 221339916 /nfs/dbraw/zinc/33/99/16/221339916.db2.gz RGRBNGJOKYGQNA-UHFFFAOYSA-N -1 0 375.384 4.007 10 0 GIAERM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(=O)[O-])C1 ZINC000020333782 221482112 /nfs/dbraw/zinc/48/21/12/221482112.db2.gz ZGVAHLSEPFHTIK-SSDOTTSWSA-N -1 0 384.251 4.179 10 0 GIAERM Cc1cc2c(nc(-c3cccnc3)nc2N[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000072260830 222218807 /nfs/dbraw/zinc/21/88/07/222218807.db2.gz DMYYJGYVFSBPEQ-QGZVFWFLSA-N -1 0 390.468 4.170 10 0 GIAERM O=C([O-])[C@@H](CCOc1ccccc1)Oc1ccc(Cl)cc1Br ZINC000095081126 222328452 /nfs/dbraw/zinc/32/84/52/222328452.db2.gz BCZIWMOABUFYNY-OAHLLOKOSA-N -1 0 385.641 4.404 10 0 GIAERM O=C([O-])[C@@H](CCOc1ccccc1)Oc1ccc(Br)cc1Cl ZINC000095081130 222329169 /nfs/dbraw/zinc/32/91/69/222329169.db2.gz VHXLRVLOIGBVQH-OAHLLOKOSA-N -1 0 385.641 4.404 10 0 GIAERM CCOc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 ZINC000073699762 222270978 /nfs/dbraw/zinc/27/09/78/222270978.db2.gz BVZKWELPTBNWNT-UHFFFAOYSA-N -1 0 379.416 4.058 10 0 GIAERM O=C([O-])COc1cc(-c2ccncc2)nc(Nc2c(Cl)cccc2Cl)n1 ZINC000073702780 222271437 /nfs/dbraw/zinc/27/14/37/222271437.db2.gz UHYBYOBXCAETSB-UHFFFAOYSA-N -1 0 391.214 4.052 10 0 GIAERM CSc1cccc(Nc2nc(OCC(=O)[O-])cc(-c3ccc(C)cc3)n2)c1 ZINC000073700183 222271505 /nfs/dbraw/zinc/27/15/05/222271505.db2.gz LABDRKYMWRKLJL-UHFFFAOYSA-N -1 0 381.457 4.381 10 0 GIAERM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000095616933 222359296 /nfs/dbraw/zinc/35/92/96/222359296.db2.gz WVFJSAFCQAEXDG-UXHICEINSA-N -1 0 397.471 4.301 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc4c(c3)CCC4)n2)c1 ZINC000073697988 524107629 /nfs/dbraw/zinc/10/76/29/524107629.db2.gz OMCNPLYAQHUCPZ-UHFFFAOYSA-N -1 0 375.428 4.148 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Cl)cc3)n2)c1 ZINC000073702449 525709180 /nfs/dbraw/zinc/70/91/80/525709180.db2.gz ZITKNGDNFFJBOM-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Cl)n2)c1 ZINC000073702297 525710002 /nfs/dbraw/zinc/71/00/02/525710002.db2.gz VIXJVMHZARFSEH-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccncc2)nc(-c2cccc(Cl)c2)n1 ZINC000073679555 526270240 /nfs/dbraw/zinc/27/02/40/526270240.db2.gz SDUSXHJDUBGASA-SFHVURJKSA-N -1 0 394.862 4.303 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073680787 526274039 /nfs/dbraw/zinc/27/40/39/526274039.db2.gz SICUURMOHMCLSD-MRXNPFEDSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])c1cn(-c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)cn1 ZINC000073681233 526401393 /nfs/dbraw/zinc/40/13/93/526401393.db2.gz GUQTYDSBASVQES-UHFFFAOYSA-N -1 0 376.803 4.348 10 0 GIAERM CC(C)[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000399740067 570663542 /nfs/dbraw/zinc/66/35/42/570663542.db2.gz XCPJSOLNGLRHTF-TZIWHRDSSA-N -1 0 379.456 4.367 10 0 GIAERM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c2cccnc12 ZINC000002455816 570793138 /nfs/dbraw/zinc/79/31/38/570793138.db2.gz PFWITIRHOVFAGI-UHFFFAOYSA-N -1 0 392.864 4.096 10 0 GIAERM O=C([O-])c1cc(OCc2ccc(F)cc2Cl)cc(Br)c1O ZINC000226321636 222706398 /nfs/dbraw/zinc/70/63/98/222706398.db2.gz BYRSJOFLFGFZPL-UHFFFAOYSA-N -1 0 375.577 4.224 10 0 GIAERM Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000627319 212166156 /nfs/dbraw/zinc/16/61/56/212166156.db2.gz BMNCVISEUQFTER-IRXDYDNUSA-N -1 0 380.444 4.077 10 0 GIAERM Cc1cccc(N=c2[n-]nc(CSc3ccc(F)cc3)c(=O)n2C2CC2)c1C ZINC000334162222 212108078 /nfs/dbraw/zinc/10/80/78/212108078.db2.gz LAICNULGIMVCGW-UHFFFAOYSA-N -1 0 396.491 4.187 10 0 GIAERM O=C([O-])c1[nH]c2ccc(Cl)cc2c1CC(=O)NCc1ccc(F)cc1Cl ZINC000004920663 220793016 /nfs/dbraw/zinc/79/30/16/220793016.db2.gz DQYLHRDGVOUUCA-UHFFFAOYSA-N -1 0 395.217 4.171 10 0 GIAERM O=C([O-])COc1ccccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000016909951 221373735 /nfs/dbraw/zinc/37/37/35/221373735.db2.gz LVTYJFKLUQHNLX-OQLLNIDSSA-N -1 0 389.816 4.044 10 0 GIAERM Cc1nc2sc3c(c2c(N[C@@H](Cc2ccccc2)C(=O)[O-])n1)CC[C@H](C)C3 ZINC000020316386 221481812 /nfs/dbraw/zinc/48/18/12/221481812.db2.gz OBBNIISKQKSUHQ-LRDDRELGSA-N -1 0 381.501 4.232 10 0 GIAERM O=C([O-])COc1cc(C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000073698867 222270436 /nfs/dbraw/zinc/27/04/36/222270436.db2.gz YWCWTOKGWRGMKW-UHFFFAOYSA-N -1 0 389.333 4.429 10 0 GIAERM O=C([O-])COc1cc(-c2cccnc2)nc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000073702937 222270782 /nfs/dbraw/zinc/27/07/82/222270782.db2.gz RXPGCIBDIQSZKG-UHFFFAOYSA-N -1 0 391.214 4.052 10 0 GIAERM C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1onc(-c2ccccc2)c1C(=O)[O-] ZINC000096296914 222410423 /nfs/dbraw/zinc/41/04/23/222410423.db2.gz MZIRQKLGQHQYEI-TWLOVUBOSA-N -1 0 394.471 4.433 10 0 GIAERM C=Cc1ccc(Cn2cc(C(=O)[O-])c(=O)c3cc(Br)ccc32)cc1 ZINC000057344057 519318896 /nfs/dbraw/zinc/31/88/96/519318896.db2.gz YDAWJQSQMLTPDO-UHFFFAOYSA-N -1 0 384.229 4.154 10 0 GIAERM CCc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(OCC(=O)[O-])c1C ZINC000073700041 522408351 /nfs/dbraw/zinc/40/83/51/522408351.db2.gz QBFJERKTTIKSIT-UHFFFAOYSA-N -1 0 379.416 4.347 10 0 GIAERM C[C@@H]1CCCC[C@H]1n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660247 524179498 /nfs/dbraw/zinc/17/94/98/524179498.db2.gz IYKFHKNNZSHSQO-IAQYHMDHSA-N -1 0 380.897 4.368 10 0 GIAERM C[C@H](CCc1ccccc1)n1c(=O)c2ccccc2nc1SCCC(=O)[O-] ZINC000073660075 524248991 /nfs/dbraw/zinc/24/89/91/524248991.db2.gz NHJYJAIRBDVWKO-OAHLLOKOSA-N -1 0 382.485 4.157 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C(C)C)cc3)n2)c1 ZINC000073697831 525709446 /nfs/dbraw/zinc/70/94/46/525709446.db2.gz RCLWZYWCJGOGKU-UHFFFAOYSA-N -1 0 393.443 4.483 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(Cl)c3C)n2)c1 ZINC000073704211 525709568 /nfs/dbraw/zinc/70/95/68/525709568.db2.gz HPKOFOQOECPMDZ-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2cccnc2)nc(-c2cccc(Cl)c2)n1 ZINC000073679563 526270204 /nfs/dbraw/zinc/27/02/04/526270204.db2.gz DHGRHAWAXHLJFU-SFHVURJKSA-N -1 0 394.862 4.303 10 0 GIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccccn3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073680548 526323755 /nfs/dbraw/zinc/32/37/55/526323755.db2.gz BPPZXBVONPCQOY-HNNXBMFYSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073681929 527565930 /nfs/dbraw/zinc/56/59/30/527565930.db2.gz XXTXOBCHLIEIRO-UHFFFAOYSA-N -1 0 377.419 4.251 10 0 GIAERM CC(C)C[C@@H](C(=O)[O-])N1CC[C@@H](c2ccc(OCc3ccccc3)cc2)C1=O ZINC000091351798 528232246 /nfs/dbraw/zinc/23/22/46/528232246.db2.gz CPTFTBBZWMBOCQ-SFTDATJTSA-N -1 0 381.472 4.081 10 0 GIAERM O=C([O-])C[C@@]1(O)C[C@@H](CCCCCCc2ccc(Cl)cc2Cl)OC1=O ZINC000004394347 560198299 /nfs/dbraw/zinc/19/82/99/560198299.db2.gz YTRNLFYTHYWDAU-KDOFPFPSSA-N -1 0 389.275 4.008 10 0 in-vitro GIAERM O=C([O-])C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1F ZINC000725240499 570973972 /nfs/dbraw/zinc/97/39/72/570973972.db2.gz JZNGNYZBOSCLKQ-VBKZILBWSA-N -1 0 383.419 4.070 10 0 GIAERM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)no1 ZINC000001284202 212233817 /nfs/dbraw/zinc/23/38/17/212233817.db2.gz OXLMWKBWNBGVQT-UHFFFAOYSA-N -1 0 399.472 4.160 10 0 GIAERM Cc1nc(N2CCc3ccccc3C2)nc(Oc2cccc(C(=O)[O-])c2)c1C ZINC000045947596 212118631 /nfs/dbraw/zinc/11/86/31/212118631.db2.gz HVCHCUDPTIAQEG-UHFFFAOYSA-N -1 0 375.428 4.147 10 0 GIAERM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000008699232 221049725 /nfs/dbraw/zinc/04/97/25/221049725.db2.gz MBEBRPRYMYAXGA-HOTGVXAUSA-N -1 0 394.254 4.430 10 0 GIAERM Cc1c(C(=O)[O-])nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n1Cc1ccccc1 ZINC000060246851 222058959 /nfs/dbraw/zinc/05/89/59/222058959.db2.gz QPCYLUSEHCNMCC-INIZCTEOSA-N -1 0 387.480 4.160 10 0 GIAERM CCN(CCC12CC3CC(CC(C3)C1)C2)c1ncc(NC(C)=O)cc1C(=O)[O-] ZINC000065331089 222124765 /nfs/dbraw/zinc/12/47/65/222124765.db2.gz WZGXTGRSDRUKFV-UHFFFAOYSA-N -1 0 385.508 4.171 10 0 GIAERM COc1ccc(Cl)cc1Nc1nc(OCC(=O)[O-])cc(-c2ccccc2)n1 ZINC000073704768 222270961 /nfs/dbraw/zinc/27/09/61/222270961.db2.gz DXJLWFCJMCNMDU-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(N[C@@H]3CCc4ccccc43)n2)cc1 ZINC000073708297 222271243 /nfs/dbraw/zinc/27/12/43/222271243.db2.gz NGYIIEZCKGEJPS-GOSISDBHSA-N -1 0 375.428 4.015 10 0 GIAERM O=C([O-])COc1cc(-c2ccccc2)nc(Nc2cccc3c2CCCC3)n1 ZINC000073697999 222271338 /nfs/dbraw/zinc/27/13/38/222271338.db2.gz UIQATTZMLZTCEU-UHFFFAOYSA-N -1 0 375.428 4.229 10 0 GIAERM C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000077291630 222277566 /nfs/dbraw/zinc/27/75/66/222277566.db2.gz QKOOLWUCVWTWAH-ONNYUIQLSA-N -1 0 398.565 4.134 10 0 in-vitro GIAERM CS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)[O-])c2cc1C1CC1 ZINC000095937856 222360884 /nfs/dbraw/zinc/36/08/84/222360884.db2.gz JFVKDAWQJYGJPJ-UHFFFAOYSA-N -1 0 389.404 4.186 10 0 GIAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(NCc2ccc(Cl)c(Cl)c2)n1 ZINC000073706631 519004943 /nfs/dbraw/zinc/00/49/43/519004943.db2.gz QASHCYXYZGPDGZ-UHFFFAOYSA-N -1 0 384.263 4.156 10 0 GIAERM COc1ccc(-c2nc(-c3ccccc3)cc(N3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000073681730 523186739 /nfs/dbraw/zinc/18/67/39/523186739.db2.gz OLTGRLZDFDZOCQ-UHFFFAOYSA-N -1 0 389.455 4.120 10 0 GIAERM CCc1c(C)nc(Nc2ccc(OCc3ccccc3)cc2)nc1OCC(=O)[O-] ZINC000073699935 523710173 /nfs/dbraw/zinc/71/01/73/523710173.db2.gz SOKSPGZFTJKLOP-UHFFFAOYSA-N -1 0 393.443 4.133 10 0 GIAERM CCc1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073681899 523791596 /nfs/dbraw/zinc/79/15/96/523791596.db2.gz JJKNVCBLZTUNJN-UHFFFAOYSA-N -1 0 379.382 4.026 10 0 GIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(NCc3ccc(Cl)cc3)n2)cc1 ZINC000073706601 525736160 /nfs/dbraw/zinc/73/61/60/525736160.db2.gz JSYGUGRDUXFDDR-UHFFFAOYSA-N -1 0 383.835 4.181 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)n2)C1 ZINC000073680533 526274385 /nfs/dbraw/zinc/27/43/85/526274385.db2.gz YODSRFOXOIUEKW-MRXNPFEDSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])c1ccn(-c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)n1 ZINC000073681542 526399275 /nfs/dbraw/zinc/39/92/75/526399275.db2.gz YOKOJNVWPFZFQF-UHFFFAOYSA-N -1 0 376.803 4.348 10 0 GIAERM O=C([O-])c1cn(Cc2ccccc2Cl)c2ccc(Br)cc2c1=O ZINC000057344085 526402950 /nfs/dbraw/zinc/40/29/50/526402950.db2.gz CTXVFJLHHXOYBI-UHFFFAOYSA-N -1 0 392.636 4.164 10 0 GIAERM O=C([O-])c1nnn(-c2cccc(Br)c2)c1-c1ccc(Cl)cc1 ZINC000228999020 526411870 /nfs/dbraw/zinc/41/18/70/526411870.db2.gz VURLZXZPSIEZQY-UHFFFAOYSA-N -1 0 378.613 4.048 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3ccccc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073681699 527565473 /nfs/dbraw/zinc/56/54/73/527565473.db2.gz FGVHSWLJWFCAKV-UHFFFAOYSA-N -1 0 377.419 4.251 10 0 GIAERM COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000001926233 570450031 /nfs/dbraw/zinc/45/00/31/570450031.db2.gz VIENZAJIOZETKV-UHFFFAOYSA-N -1 0 393.848 4.290 10 0 GIAERM O=C([O-])C12CCC(CC1)CN2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000253189053 570826708 /nfs/dbraw/zinc/82/67/08/570826708.db2.gz XSBMDSOMRNZYPV-UHFFFAOYSA-N -1 0 377.440 4.265 10 0 GIAERM O=C([O-])[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]2CC[C@@H]1C2 ZINC000038528648 570828628 /nfs/dbraw/zinc/82/86/28/570828628.db2.gz FDSJQWJNLQURMJ-AQKDONEWSA-N -1 0 377.440 4.169 10 0 GIAERM C[C@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675078754 570911231 /nfs/dbraw/zinc/91/12/31/570911231.db2.gz KQEGMZZXQAYARG-KGLIPLIRSA-N -1 0 383.469 4.174 10 0 GIAERM O=C([O-])[C@@H]1CC[C@H](C2CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240478 570974094 /nfs/dbraw/zinc/97/40/94/570974094.db2.gz IVSYSISPGITBQL-RTWAWAEBSA-N -1 0 377.440 4.263 10 0 GIAERM C[C@H](C(=O)[O-])[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240523 570974483 /nfs/dbraw/zinc/97/44/83/570974483.db2.gz LFMKFKQHJBIJBH-JKSUJKDBSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])[C@H]1N(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CCCC2 ZINC000725240633 570994937 /nfs/dbraw/zinc/99/49/37/570994937.db2.gz SKAREJGZBNVATM-HXUWFJFHSA-N -1 0 377.440 4.265 10 0 GIAERM CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000226351532 222706173 /nfs/dbraw/zinc/70/61/73/222706173.db2.gz DJYZZGLLNZJSHK-UHFFFAOYSA-N -1 0 380.853 4.157 10 0 GIAERM CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000001284178 212233649 /nfs/dbraw/zinc/23/36/49/212233649.db2.gz GYZKPCNQJUNSAQ-UHFFFAOYSA-N -1 0 395.484 4.258 10 0 GIAERM CCc1cc(Oc2cccc(C(=O)[O-])c2)nc(N2CCc3ccccc3C2)n1 ZINC000045947661 212118796 /nfs/dbraw/zinc/11/87/96/212118796.db2.gz UQYPQRIENUDUIH-UHFFFAOYSA-N -1 0 375.428 4.092 10 0 GIAERM CCc1ccccc1N=c1[n-]nc(CSc2ccc(F)cc2)c(=O)n1C1CC1 ZINC000334162036 212108184 /nfs/dbraw/zinc/10/81/84/212108184.db2.gz IPQXPLRKRAXZNK-UHFFFAOYSA-N -1 0 396.491 4.133 10 0 GIAERM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000008699231 221049500 /nfs/dbraw/zinc/04/95/00/221049500.db2.gz MBEBRPRYMYAXGA-CVEARBPZSA-N -1 0 394.254 4.430 10 0 GIAERM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008699227 221049675 /nfs/dbraw/zinc/04/96/75/221049675.db2.gz UYBRLZVMZODNGN-CABCVRRESA-N -1 0 394.254 4.430 10 0 GIAERM COc1ccccc1OCC(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000020334033 221482594 /nfs/dbraw/zinc/48/25/94/221482594.db2.gz RPXSRHFWIXQVEP-UHFFFAOYSA-N -1 0 383.425 4.139 10 0 GIAERM Nc1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000034955852 221810570 /nfs/dbraw/zinc/81/05/70/221810570.db2.gz ZGSOLWROIAEGKV-UHFFFAOYSA-N -1 0 396.093 4.139 10 0 GIAERM CC(C)(C)OC(=O)N1CCC[C@@](Cc2cccc(Br)c2)(C(=O)[O-])C1 ZINC000035571483 221829972 /nfs/dbraw/zinc/82/99/72/221829972.db2.gz DCOCDUNOCFXVTO-SFHVURJKSA-N -1 0 398.297 4.094 10 0 GIAERM Cc1cccc(C(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c1 ZINC000064978709 222092168 /nfs/dbraw/zinc/09/21/68/222092168.db2.gz QIEBAEHRRVEIKJ-UHFFFAOYSA-N -1 0 383.492 4.459 10 0 GIAERM O=C([O-])[C@H](CCOc1ccccc1)Oc1ccc(Br)cc1Cl ZINC000095081129 222329410 /nfs/dbraw/zinc/32/94/10/222329410.db2.gz VHXLRVLOIGBVQH-HNNXBMFYSA-N -1 0 385.641 4.404 10 0 GIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Cl)cc3F)n2)cc1 ZINC000073703454 222270732 /nfs/dbraw/zinc/27/07/32/222270732.db2.gz XBOZMUYHZBSYIX-UHFFFAOYSA-N -1 0 387.798 4.452 10 0 GIAERM CC[C@H](CCCCO[C@@H]1CCCCO1)COC(=O)c1ccccc1C(=O)[O-] ZINC000077311449 222277594 /nfs/dbraw/zinc/27/75/94/222277594.db2.gz FBMJEFLVACGEPF-APWZRJJASA-N -1 0 378.465 4.281 10 0 in-vitro GIAERM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 ZINC000095750682 222358795 /nfs/dbraw/zinc/35/87/95/222358795.db2.gz DEVLQOILWHIFDU-HXUWFJFHSA-N -1 0 379.456 4.416 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(N[C@@H](C)CCc3ccccc3)n2)c1 ZINC000073708095 524108338 /nfs/dbraw/zinc/10/83/38/524108338.db2.gz IJKLLCTVJOBTAT-KRWDZBQOSA-N -1 0 391.471 4.349 10 0 GIAERM Cc1ccc(C)c(Cn2cc(C(=O)[O-])c(=O)c3cc(Br)ccc32)c1 ZINC000057344046 524114784 /nfs/dbraw/zinc/11/47/84/524114784.db2.gz OXMFKYZEYROPSG-UHFFFAOYSA-N -1 0 386.245 4.127 10 0 GIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3cccnc3)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000073680795 526274458 /nfs/dbraw/zinc/27/44/58/526274458.db2.gz VDGPZSAUWPJVMF-MRXNPFEDSA-N -1 0 394.862 4.160 10 0 GIAERM O=C([O-])C1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)CC1 ZINC000073681710 527565467 /nfs/dbraw/zinc/56/54/67/527565467.db2.gz OBAHOCMZEFYQPK-UHFFFAOYSA-N -1 0 377.419 4.251 10 0 GIAERM COc1ccc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000226856824 570461931 /nfs/dbraw/zinc/46/19/31/570461931.db2.gz RLIOKAWBMGGOPK-UHFFFAOYSA-N -1 0 390.457 4.209 10 0 GIAERM O=C([O-])c1nn(CC(=O)c2ccc(C3CCCCC3)cc2)c(=O)c2ccccc21 ZINC000007000063 570731979 /nfs/dbraw/zinc/73/19/79/570731979.db2.gz XVOGQNTZEBQLFU-UHFFFAOYSA-N -1 0 390.439 4.025 10 0 GIAERM O=C([O-])[C@@H]1C[C@H]2[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C1 ZINC000675068599 570906012 /nfs/dbraw/zinc/90/60/12/570906012.db2.gz BWDQAAQXQMCCCI-JHUWSKFTSA-N -1 0 377.440 4.024 10 0 GIAERM O=C([O-])C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000725240399 570973734 /nfs/dbraw/zinc/97/37/34/570973734.db2.gz BRHKRPSNMFKHGO-MRXNPFEDSA-N -1 0 379.456 4.416 10 0 GIAERM O=C([O-])c1ccc(-c2ccc(Cl)c(NS(=O)(=O)c3ccccc3)c2)o1 ZINC000226353211 231037062 /nfs/dbraw/zinc/03/70/62/231037062.db2.gz FGQGLZWNXDQCIB-UHFFFAOYSA-N -1 0 377.805 4.099 10 0 GIAERM COc1ccc(Br)cc1C(=O)n1c(C)c(C(=O)[O-])c2ccccc21 ZINC000226367158 222707555 /nfs/dbraw/zinc/70/75/55/222707555.db2.gz DYRKQHFGOVJTIE-UHFFFAOYSA-N -1 0 388.217 4.108 10 0 GIAERM Cc1ccc(C(=O)c2cccn2C/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000066259818 212134568 /nfs/dbraw/zinc/13/45/68/212134568.db2.gz CNBLGGYQBCKUKJ-ZZXKWVIFSA-N -1 0 375.424 4.204 10 0 GIAERM Cc1nc(N2CCc3ccccc3C2)nc(Oc2ccc(C(=O)[O-])cc2)c1C ZINC000045947594 212119122 /nfs/dbraw/zinc/11/91/22/212119122.db2.gz NIQJUEJVBDIUMO-UHFFFAOYSA-N -1 0 375.428 4.147 10 0 GIAERM Cc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(OCC(=O)[O-])cc1 ZINC000020340571 221483453 /nfs/dbraw/zinc/48/34/53/221483453.db2.gz VZGYOHBVFTWAMH-UHFFFAOYSA-N -1 0 382.441 4.143 10 0 GIAERM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058644093 222053719 /nfs/dbraw/zinc/05/37/19/222053719.db2.gz RUDATBOHQWOJDD-HHQOLTCWSA-N -1 0 392.580 4.478 10 0 GIAERM Cc1ccc(C(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000064978704 222091903 /nfs/dbraw/zinc/09/19/03/222091903.db2.gz XGRUALLCXHRYNS-UHFFFAOYSA-N -1 0 383.492 4.459 10 0 GIAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000064978443 222091987 /nfs/dbraw/zinc/09/19/87/222091987.db2.gz QXKGKIBDDHVKOC-UHFFFAOYSA-N -1 0 393.418 4.198 10 0 GIAERM O=C([O-])COc1cc(-c2cccnc2)nc(Nc2cc(Cl)ccc2Cl)n1 ZINC000073702697 222270304 /nfs/dbraw/zinc/27/03/04/222270304.db2.gz METGTXDRIRGZBT-UHFFFAOYSA-N -1 0 391.214 4.052 10 0 GIAERM CC(C)c1cc(-n2cnc(C(=O)[O-])c2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073681165 519830949 /nfs/dbraw/zinc/83/09/49/519830949.db2.gz AKPNFBZESUEUGU-UHFFFAOYSA-N -1 0 376.338 4.170 10 0 GIAERM CCCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073680688 521369266 /nfs/dbraw/zinc/36/92/66/521369266.db2.gz INEUKTXPAUDQAY-CQSZACIVSA-N -1 0 393.409 4.416 10 0 GIAERM CCOc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2cccc(C)c2)n1 ZINC000073699759 521555282 /nfs/dbraw/zinc/55/52/82/521555282.db2.gz NNDDIRVRBOXPDQ-UHFFFAOYSA-N -1 0 379.416 4.058 10 0 GIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000073703358 524107852 /nfs/dbraw/zinc/10/78/52/524107852.db2.gz KAIDZPNXLBBNRC-UHFFFAOYSA-N -1 0 387.798 4.452 10 0 GIAERM COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(Cl)ccc3C)n2)c1 ZINC000073704388 525706835 /nfs/dbraw/zinc/70/68/35/525706835.db2.gz WGXZGGXUKXTFGN-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(N[C@H](C)CCc3ccccc3)n2)cc1 ZINC000073708104 525737550 /nfs/dbraw/zinc/73/75/50/525737550.db2.gz QMFRLFOHXWFAMJ-QGZVFWFLSA-N -1 0 391.471 4.349 10 0 GIAERM O=C([O-])c1ccn(-c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)n1 ZINC000073681439 526398587 /nfs/dbraw/zinc/39/85/87/526398587.db2.gz AZLNGAPEQDEOPY-UHFFFAOYSA-N -1 0 376.803 4.348 10 0 GIAERM O=C([O-])COc1cc(-c2ccncc2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000073698906 527616595 /nfs/dbraw/zinc/61/65/95/527616595.db2.gz HRLCVMGMFNWWCJ-UHFFFAOYSA-N -1 0 398.422 4.472 10 0 GIAERM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(Oc3ccccc3F)nc2)c(C)c1 ZINC000224287220 570437851 /nfs/dbraw/zinc/43/78/51/570437851.db2.gz HSWZEWCJHQOKRK-UHFFFAOYSA-N -1 0 387.436 4.134 10 0 GIAERM Cc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1C(=O)[O-] ZINC000226858788 570461890 /nfs/dbraw/zinc/46/18/90/570461890.db2.gz LWEVUKYSSAOJGC-UHFFFAOYSA-N -1 0 379.522 4.349 10 0 GIAERM CSCCN(CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675078689 570910479 /nfs/dbraw/zinc/91/04/79/570910479.db2.gz IXHJLPGBDIBAPE-UHFFFAOYSA-N -1 0 385.485 4.075 10 0 GIAERM C[C@@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675078756 570911249 /nfs/dbraw/zinc/91/12/49/570911249.db2.gz KQEGMZZXQAYARG-UONOGXRCSA-N -1 0 383.469 4.174 10 0 GIAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000012495963 571694738 /nfs/dbraw/zinc/69/47/38/571694738.db2.gz ZHCAAZIHTDCFJX-CIKBIKKZSA-N -1 0 392.580 4.478 10 0 endogenous,in-man GIAERM O=C([O-])c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1 ZINC000029042758 212158298 /nfs/dbraw/zinc/15/82/98/212158298.db2.gz VRYYKMWSYKUDID-UHFFFAOYSA-N -1 0 385.221 4.425 10 0 GIAERM CCc1cc(Oc2ccc(C(=O)[O-])cc2)nc(N2CCc3ccccc3C2)n1 ZINC000045947658 212119502 /nfs/dbraw/zinc/11/95/02/212119502.db2.gz FIJDYHIUXISUFF-UHFFFAOYSA-N -1 0 375.428 4.092 10 0 GIAERM O=C([O-])COc1ccc2c(=O)c(Oc3cc(Cl)ccc3Cl)coc2c1 ZINC000005592272 220885627 /nfs/dbraw/zinc/88/56/27/220885627.db2.gz DPQCFAIMZDBPKC-UHFFFAOYSA-N -1 0 381.167 4.356 10 0 GIAERM O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000008699230 221049852 /nfs/dbraw/zinc/04/98/52/221049852.db2.gz MBEBRPRYMYAXGA-JKSUJKDBSA-N -1 0 394.254 4.430 10 0 GIAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000064978441 222092115 /nfs/dbraw/zinc/09/21/15/222092115.db2.gz ZPTVLSYBNXQLHX-UHFFFAOYSA-N -1 0 389.455 4.367 10 0 GIAERM O=C([O-])c1cc(NC(=O)c2cccs2)cnc1N1CC[C@@H](c2ccccc2)C1 ZINC000064979000 222092256 /nfs/dbraw/zinc/09/22/56/222092256.db2.gz ZELIBSNAOBHWFE-OAHLLOKOSA-N -1 0 393.468 4.088 10 0 GIAERM CCCN(CCC)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000064978535 222092377 /nfs/dbraw/zinc/09/23/77/222092377.db2.gz JLXORFRAVNZPAN-UHFFFAOYSA-N -1 0 375.856 4.312 10 0 GIAERM O=C([O-])COc1cc(C(F)(F)F)nc(Nc2cccc(Cl)c2Cl)n1 ZINC000073702487 222271622 /nfs/dbraw/zinc/27/16/22/222271622.db2.gz VOOHBOZFUQYOPP-UHFFFAOYSA-N -1 0 382.125 4.009 10 0 GIAERM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccco1 ZINC000095750651 222359241 /nfs/dbraw/zinc/35/92/41/222359241.db2.gz BZMTZOMASQYPJJ-HNNXBMFYSA-N -1 0 391.423 4.062 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000073704309 523114081 /nfs/dbraw/zinc/11/40/81/523114081.db2.gz FKIPCLSHVYZURA-UHFFFAOYSA-N -1 0 399.834 4.321 10 0 GIAERM Cc1cc(C)n(-c2nc(Nc3cccc(C(=O)[O-])c3)cc(-c3ccccc3)n2)n1 ZINC000073683863 524498229 /nfs/dbraw/zinc/49/82/29/524498229.db2.gz FULBKZXKAHIOEG-UHFFFAOYSA-N -1 0 385.427 4.388 10 0 GIAERM CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)[O-])C[C@H]1Cc1ccccc1 ZINC000039952657 534839179 /nfs/dbraw/zinc/83/91/79/534839179.db2.gz VMIRAITZTZTNIM-GOSISDBHSA-N -1 0 396.487 4.053 10 0 GIAERM CCC[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-] ZINC000725262481 570319474 /nfs/dbraw/zinc/31/94/74/570319474.db2.gz KBIQQHOMCBLXPY-FOIQADDNSA-N -1 0 379.456 4.368 10 0 GIAERM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000226855822 570461402 /nfs/dbraw/zinc/46/14/02/570461402.db2.gz BLEKXVUXOIYLQW-UHFFFAOYSA-N -1 0 394.663 4.170 10 0 GIAERM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000226857532 570461935 /nfs/dbraw/zinc/46/19/35/570461935.db2.gz XVJYIIMJBWIWTI-UHFFFAOYSA-N -1 0 382.393 4.360 10 0 GIAERM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)cc1OC ZINC000006749002 570567207 /nfs/dbraw/zinc/56/72/07/570567207.db2.gz WHDJZMHDZHSDPY-UHFFFAOYSA-N -1 0 389.411 4.397 10 0 GIAERM C[C@H]1C[C@@H](CC(=O)[O-])CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240596 570974920 /nfs/dbraw/zinc/97/49/20/570974920.db2.gz PQSJBKDGYSOSKR-HOTGVXAUSA-N -1 0 379.456 4.368 10 0 GIAERM O=C([O-])c1ccn2c(NC(=O)OCC3c4ccccc4-c4ccccc43)cnc2c1 ZINC000725241241 570996552 /nfs/dbraw/zinc/99/65/52/570996552.db2.gz BXTUZQDODQOLHF-UHFFFAOYSA-N -1 0 399.406 4.394 10 0 GIAERM CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226861081 222707617 /nfs/dbraw/zinc/70/76/17/222707617.db2.gz XVDXGGCUSHCMCC-UHFFFAOYSA-N -1 0 395.480 4.242 10 0 GIAERM O=c1nc(OCc2ccc(Cl)cc2)nc(OCc2ccc(Cl)cc2)[n-]1 ZINC000035070586 212159329 /nfs/dbraw/zinc/15/93/29/212159329.db2.gz ZVSXWAJONQVOAA-UHFFFAOYSA-N -1 0 378.215 4.042 10 0 GIAERM Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2c(cccc2Cl)n1CC(=O)[O-] ZINC000034104435 212159348 /nfs/dbraw/zinc/15/93/48/212159348.db2.gz GXILJFXVNKPFQO-UHFFFAOYSA-N -1 0 398.267 4.174 10 0 GIAERM O=C([O-])Cn1cc(Cc2nc3c(s2)c(F)cc(F)c3F)c2ccccc21 ZINC000000538652 212142458 /nfs/dbraw/zinc/14/24/58/212142458.db2.gz KYHVTMFADJNSGS-UHFFFAOYSA-N -1 0 376.359 4.344 10 0 in-man GIAERM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Oc2cc(Cl)ccc2Cl)c1 ZINC000013076791 221260679 /nfs/dbraw/zinc/26/06/79/221260679.db2.gz RGGBCUKTVQCNLF-UHFFFAOYSA-N -1 0 381.620 4.113 10 0 GIAERM O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Br ZINC000015782063 221344989 /nfs/dbraw/zinc/34/49/89/221344989.db2.gz WUFXZKDXRXMKRM-INIZCTEOSA-N -1 0 389.249 4.055 10 0 GIAERM C[C@H](CC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000031520504 221711410 /nfs/dbraw/zinc/71/14/10/221711410.db2.gz QYYDXDSPYPOWRO-JHMCBHKWSA-N -1 0 378.553 4.088 10 0 in-vitro GIAERM Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1cnn2CCC(=O)[O-] ZINC000038496612 221880799 /nfs/dbraw/zinc/88/07/99/221880799.db2.gz HZNZWQQPBJATLP-UHFFFAOYSA-N -1 0 391.427 4.096 10 0 GIAERM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Br)o2)on1 ZINC000064958461 222089911 /nfs/dbraw/zinc/08/99/11/222089911.db2.gz SJJSFQVSUYKIAT-UHFFFAOYSA-N -1 0 397.250 4.115 10 0 GIAERM CN(Cc1ccccc1)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000064978520 222091763 /nfs/dbraw/zinc/09/17/63/222091763.db2.gz BTOLENCEGDTIOH-UHFFFAOYSA-N -1 0 395.846 4.322 10 0 GIAERM CCN(Cc1ccccc1)c1ncc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000064978444 222092287 /nfs/dbraw/zinc/09/22/87/222092287.db2.gz AUGSUDGCUNEDJE-UHFFFAOYSA-N -1 0 393.418 4.198 10 0 GIAERM Nc1ccc(CCC(=O)[O-])c(C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000071186652 222178340 /nfs/dbraw/zinc/17/83/40/222178340.db2.gz IWSWLKQKQWQPLJ-UHFFFAOYSA-N -1 0 387.435 4.255 10 0 GIAERM Cc1ccc(Nc2nc(OCC(=O)[O-])cc(C(C)(C)C)n2)c(Br)c1 ZINC000073704616 222270428 /nfs/dbraw/zinc/27/04/28/222270428.db2.gz LPCMEZOHJYJKDD-UHFFFAOYSA-N -1 0 394.269 4.052 10 0 GIAERM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095748960 222359272 /nfs/dbraw/zinc/35/92/72/222359272.db2.gz PUNREVXVOXJACW-SNVBAGLBSA-N -1 0 387.276 4.375 10 0 GIAERM CCCOc1ccc(CNc2nc(OCC(=O)[O-])cc(-c3ccccc3)n2)cc1 ZINC000073705880 520376853 /nfs/dbraw/zinc/37/68/53/520376853.db2.gz KOIFXJQQFUMBFB-UHFFFAOYSA-N -1 0 393.443 4.008 10 0 GIAERM COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(Cl)c3)n2)cc1 ZINC000073702374 523116445 /nfs/dbraw/zinc/11/64/45/523116445.db2.gz ATEGJZGZGVTICC-UHFFFAOYSA-N -1 0 385.807 4.013 10 0 GIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2cccnc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073679778 526319979 /nfs/dbraw/zinc/31/99/79/526319979.db2.gz BRVLJXKGRRTKJN-GOSISDBHSA-N -1 0 394.862 4.303 10 0 GIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000073679789 527659596 /nfs/dbraw/zinc/65/95/96/527659596.db2.gz ARJBEJHPGYOQGT-SFHVURJKSA-N -1 0 394.862 4.303 10 0 GIAERM CC(C)[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000399740061 570663553 /nfs/dbraw/zinc/66/35/53/570663553.db2.gz XCPJSOLNGLRHTF-FPOVZHCZSA-N -1 0 379.456 4.367 10 0 GIAERM O=C([O-])[C@]12C[C@H](CN1C(=O)OCC1c3ccccc3-c3ccccc31)CCC2 ZINC000253188039 570826813 /nfs/dbraw/zinc/82/68/13/570826813.db2.gz VRVKYEBMYXINBO-CMJOXMDJSA-N -1 0 377.440 4.265 10 0 GIAERM Nc1c(Nc2ccc(C(=O)[O-])cc2)ncnc1Nc1ccc(C(F)(F)F)cc1 ZINC000040799955 221932444 /nfs/dbraw/zinc/93/24/44/221932444.db2.gz OICNBTWVZWTROQ-UHFFFAOYSA-N -1 0 389.337 4.263 10 0 GIAERM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 ZINC000095750686 222359484 /nfs/dbraw/zinc/35/94/84/222359484.db2.gz DEVLQOILWHIFDU-FQEVSTJZSA-N -1 0 379.456 4.416 10 0 GIAERM CC(C)c1ccc(Cn2c(=O)c3ccccc3nc2SCCC(=O)[O-])cc1 ZINC000073659975 519836503 /nfs/dbraw/zinc/83/65/03/519836503.db2.gz JHNIRWSLQFRFOT-UHFFFAOYSA-N -1 0 382.485 4.135 10 0 GIAERM CCOc1ccc(Cn2c(=O)c3cc(Cl)ccc3[n-]c2=S)cc1OCC ZINC000073659494 521017286 /nfs/dbraw/zinc/01/72/86/521017286.db2.gz CORBVMMLTZGIPA-UHFFFAOYSA-N -1 0 390.892 4.184 10 0 GIAERM CCCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073680685 521369182 /nfs/dbraw/zinc/36/91/82/521369182.db2.gz INEUKTXPAUDQAY-AWEZNQCLSA-N -1 0 393.409 4.416 10 0 GIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(N[C@@H](C)CCc3ccccc3)n2)cc1 ZINC000073708099 525736268 /nfs/dbraw/zinc/73/62/68/525736268.db2.gz QMFRLFOHXWFAMJ-KRWDZBQOSA-N -1 0 391.471 4.349 10 0 GIAERM O=C([O-])c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc2c1=O ZINC000057344090 526402886 /nfs/dbraw/zinc/40/28/86/526402886.db2.gz RBPINPHXFQUFGI-UHFFFAOYSA-N -1 0 392.636 4.164 10 0 GIAERM O=C([O-])CCOc1cc(-c2cccnc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662605 527592136 /nfs/dbraw/zinc/59/21/36/527592136.db2.gz GCJVXHYPQAFCBS-UHFFFAOYSA-N -1 0 389.333 4.078 10 0 GIAERM C[C@@H]1C[C@H](C)[C@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725261871 570312725 /nfs/dbraw/zinc/31/27/25/570312725.db2.gz LPAJCEZGLLEJOD-LRAJWGHMSA-N -1 0 379.456 4.367 10 0 GIAERM O=C([O-])[C@@H]1CCN(C(=O)OCc2ccccc2)c2ccc(Br)cc21 ZINC000584883115 570405539 /nfs/dbraw/zinc/40/55/39/570405539.db2.gz HHBCDZOFQIUEGY-CQSZACIVSA-N -1 0 390.233 4.164 10 0 GIAERM O=C([O-])C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1F ZINC000725240500 570974037 /nfs/dbraw/zinc/97/40/37/570974037.db2.gz JZNGNYZBOSCLKQ-VLIAUNLRSA-N -1 0 383.419 4.070 10 0 GIAERM C/C=C/[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-] ZINC000725242317 570999252 /nfs/dbraw/zinc/99/92/52/570999252.db2.gz SZSJFECIAKDJBE-RWGWIKKZSA-N -1 0 377.440 4.144 10 0 GIAERM