smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(O)cc(O)c1Oc1c(Cl)c(C)c(Cl)c(OC)c1C(=O)[O-] ZINC000031162557 291250967 /nfs/dbraw/zinc/25/09/67/291250967.db2.gz IJSJXKCVRHBPSG-UHFFFAOYSA-N -1 0 417.197 3.999 40 0 biogenic,in-vitro HHABRM CCOP(=O)(Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1)OCC ZINC000044137750 520243402 /nfs/dbraw/zinc/24/34/02/520243402.db2.gz VCEUSIFBURZFDR-INIZCTEOSA-N -1 0 415.423 3.973 40 0 HHABRM COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(O)c2)cc1Cl ZINC000020153034 521835747 /nfs/dbraw/zinc/83/57/47/521835747.db2.gz SDORUWCALXXPSF-UHFFFAOYSA-N -1 0 415.254 3.533 40 0 HHABRM Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(Cl)c2C)s1 ZINC000225816084 525066104 /nfs/dbraw/zinc/06/61/04/525066104.db2.gz XTXSXGOMJWMHNO-UHFFFAOYSA-N -1 0 422.919 3.861 40 0 HHABRM C#CCOc1c(CC=C)cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000034771749 557017484 /nfs/dbraw/zinc/01/74/84/557017484.db2.gz PFDYENHEPXPAOZ-LDADJPATSA-N -1 0 420.421 3.531 40 0 HHABRM COC(=O)C[C@@]1(C(=O)[O-])C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000001670633 557279702 /nfs/dbraw/zinc/27/97/02/557279702.db2.gz WLYPLDZMLOVZSF-IVZWLZJFSA-N -1 0 416.899 3.856 40 0 HHABRM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCSCc1c(F)cccc1Cl ZINC000408547864 557370461 /nfs/dbraw/zinc/37/04/61/557370461.db2.gz OAYMPQZSEDFIHF-UHFFFAOYSA-N -1 0 416.927 3.514 40 0 HHABRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000408592974 557506794 /nfs/dbraw/zinc/50/67/94/557506794.db2.gz LGRHNPLTFBHERQ-UHFFFAOYSA-N -1 0 413.451 3.832 40 0 HHABRM O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408612363 557530394 /nfs/dbraw/zinc/53/03/94/557530394.db2.gz VOVMPQKBJSVGGS-LJQANCHMSA-N -1 0 404.869 3.843 40 0 HHABRM Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000035897691 557650562 /nfs/dbraw/zinc/65/05/62/557650562.db2.gz UGVOMYWDFCWPOV-NONVJHHQSA-N -1 0 416.543 3.889 40 0 HHABRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1F ZINC000408694003 557711923 /nfs/dbraw/zinc/71/19/23/557711923.db2.gz GWIWYQCIPZRWQR-UHFFFAOYSA-N -1 0 406.479 3.698 40 0 HHABRM CCc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104887 557834339 /nfs/dbraw/zinc/83/43/39/557834339.db2.gz STBBWQDWOLTAKK-XHBSWPGZSA-N -1 0 406.939 3.911 40 0 HHABRM CCc1[n-]n2c(nc(CSc3nnc(N)s3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000009936207 557851968 /nfs/dbraw/zinc/85/19/68/557851968.db2.gz LBIUBKONYHYLFL-UHFFFAOYSA-N -1 0 418.935 3.631 40 0 HHABRM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000020491674 558378258 /nfs/dbraw/zinc/37/82/58/558378258.db2.gz QUUZDKMLIOFBLL-MDWZMJQESA-N -1 0 409.467 3.543 40 0 HHABRM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000022524292 558495516 /nfs/dbraw/zinc/49/55/16/558495516.db2.gz QKUJVTJGMGFFPI-AWNIVKPZSA-N -1 0 409.467 3.543 40 0 HHABRM COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc([N-]c3nncs3)n2)cc1 ZINC000072375253 558963878 /nfs/dbraw/zinc/96/38/78/558963878.db2.gz XWUWZWZOWFUNRB-GOSISDBHSA-N -1 0 409.515 3.982 40 0 HHABRM Cc1oc2c(c1C(=O)N[C@H](C)c1cc(=O)n3[n-]c(C4CCOCC4)cc3n1)CCCC2 ZINC000100769388 559140073 /nfs/dbraw/zinc/14/00/73/559140073.db2.gz OGPFYJQXNPPQRR-CYBMUJFWSA-N -1 0 424.501 3.600 40 0 HHABRM Cc1ccccc1CC(=O)N[C@H](c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1)C(C)C ZINC000100769443 559140205 /nfs/dbraw/zinc/14/02/05/559140205.db2.gz FIFMWLRLRPKMAT-DEOSSOPVSA-N -1 0 422.529 3.693 40 0 HHABRM COc1ccccc1N1C[C@@H](c2cc(=O)n3[n-]cc(-c4ccc(C)cc4)c3n2)CC1=O ZINC000100776287 559140707 /nfs/dbraw/zinc/14/07/07/559140707.db2.gz RPZGDXISHJCRKJ-KRWDZBQOSA-N -1 0 414.465 3.939 40 0 HHABRM O=C1[C@@H]2[C@H](c3ccncc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102005360 559148930 /nfs/dbraw/zinc/14/89/30/559148930.db2.gz PUFCLNNYRLZNST-AABGKKOBSA-N -1 0 405.841 3.786 40 0 HHABRM COc1ccc(C(=O)N(C2=C([O-])N(c3ccccc3)C(=O)C2)c2ccccc2)cc1 ZINC000100269662 559190890 /nfs/dbraw/zinc/19/08/90/559190890.db2.gz UQQCBESKRYVHEU-NRFANRHFSA-N -1 0 400.434 3.674 40 0 HHABRM 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(=O)[C@]12C ZINC000118914669 559205314 /nfs/dbraw/zinc/20/53/14/559205314.db2.gz MIHNUBCEFJLAGN-MMCOQHFFSA-N -1 0 406.563 3.657 40 0 HHABRM Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000791057 559279517 /nfs/dbraw/zinc/27/95/17/559279517.db2.gz WSBGGDBODILZGH-UHFFFAOYSA-N -1 0 411.483 3.517 40 0 HHABRM COc1cccc2[nH]c(C[C@H]3CN(C(=O)Nc4ccccc4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289579 560032102 /nfs/dbraw/zinc/03/21/02/560032102.db2.gz VPFCQVYYVIRSFC-HOTGVXAUSA-N -1 0 422.485 3.759 40 0 biogenic,in-vitro HHABRM O=C([O-])C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289401 560032747 /nfs/dbraw/zinc/03/27/47/560032747.db2.gz SDJCBWBHYHJOKV-GJZGRUSLSA-N -1 0 416.497 3.700 40 0 biogenic,in-vitro HHABRM CCOC(=O)C1=C(C)NC(SCC(=O)[O-])=N[C@@H]1c1cccc(Cl)c1Cl ZINC000408988713 560661508 /nfs/dbraw/zinc/66/15/08/560661508.db2.gz IZWHCPCYLPUGEY-CQSZACIVSA-N -1 0 403.287 3.649 40 0 HHABRM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000409020971 560666726 /nfs/dbraw/zinc/66/67/26/560666726.db2.gz WIJGETBRNVSLEM-YAFRSCOQSA-N -1 0 415.423 3.633 40 0 HHABRM Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)cc(Cl)c3[O-])C2=O)cc1 ZINC000409021746 560666938 /nfs/dbraw/zinc/66/69/38/560666938.db2.gz WQQAOFHYBYROFE-VIZOYTHASA-N -1 0 420.252 3.539 40 0 HHABRM O=C([O-])c1ccc(COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000409226822 560698157 /nfs/dbraw/zinc/69/81/57/560698157.db2.gz VTEMQPVDBVEBPA-UHFFFAOYSA-N -1 0 401.374 3.542 40 0 HHABRM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1Cl ZINC000409240938 560700036 /nfs/dbraw/zinc/70/00/36/560700036.db2.gz VPERXEJUWVSVIY-UHFFFAOYSA-N -1 0 423.796 3.711 40 0 HHABRM Cc1cccc(OCC(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])c1 ZINC000006234423 560740562 /nfs/dbraw/zinc/74/05/62/560740562.db2.gz REWXMHNTQBFXTO-UHFFFAOYSA-N -1 0 413.282 3.892 40 0 HHABRM CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004124305 560893026 /nfs/dbraw/zinc/89/30/26/560893026.db2.gz KNOPBCQEJBVYKI-PKIAMQTDSA-N -1 0 403.456 3.870 40 0 HHABRM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3nccs3)ccc21 ZINC000201442397 560897421 /nfs/dbraw/zinc/89/74/21/560897421.db2.gz OAKPRTNHNILVBW-UHFFFAOYSA-N -1 0 417.487 3.676 40 0 HHABRM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000216324476 568464378 /nfs/dbraw/zinc/46/43/78/568464378.db2.gz TUFWHUMFHZOBLP-UHFFFAOYSA-N -1 0 401.875 3.717 40 0 HHABRM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000216409499 568464989 /nfs/dbraw/zinc/46/49/89/568464989.db2.gz HBXSPYTWOGOPCQ-UHFFFAOYSA-N -1 0 411.483 3.680 40 0 HHABRM CCC[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000222713165 568524516 /nfs/dbraw/zinc/52/45/16/568524516.db2.gz FVDASVPRDHLLGG-MRVPVSSYSA-N -1 0 423.347 3.564 40 0 HHABRM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000223321408 568545267 /nfs/dbraw/zinc/54/52/67/568545267.db2.gz BYAZEKKMICRHOD-UHFFFAOYSA-N -1 0 406.769 3.903 40 0 HHABRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)s2)cc1 ZINC000223757274 568558231 /nfs/dbraw/zinc/55/82/31/568558231.db2.gz MWDBZTRLLJFMAE-UHFFFAOYSA-N -1 0 411.892 3.677 40 0 HHABRM Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)s1 ZINC000224002593 568565937 /nfs/dbraw/zinc/56/59/37/568565937.db2.gz SDBWXSBUCLHUDA-UHFFFAOYSA-N -1 0 422.919 3.861 40 0 HHABRM CCSc1nnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)s1 ZINC000224267431 568575879 /nfs/dbraw/zinc/57/58/79/568575879.db2.gz RYTOSEYFRFHCKS-UHFFFAOYSA-N -1 0 420.541 3.703 40 0 HHABRM Cc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1C ZINC000224310437 568577455 /nfs/dbraw/zinc/57/74/55/568577455.db2.gz ZSBNMKFLSPOCHK-UHFFFAOYSA-N -1 0 422.919 3.861 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(C)c2)c(Cl)c1Cl ZINC000224610654 568588068 /nfs/dbraw/zinc/58/80/68/568588068.db2.gz RKWPJNPLTVQXRH-UHFFFAOYSA-N -1 0 404.271 3.590 40 0 HHABRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000224734333 568594171 /nfs/dbraw/zinc/59/41/71/568594171.db2.gz TWOTWQAWOIGOGV-UHFFFAOYSA-N -1 0 400.500 3.574 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000224955643 568605668 /nfs/dbraw/zinc/60/56/68/568605668.db2.gz CLTYCCMQWZVZMP-UHFFFAOYSA-N -1 0 424.689 3.935 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2C)cc1Cl ZINC000224959071 568605884 /nfs/dbraw/zinc/60/58/84/568605884.db2.gz XLUDBKIHKQZFKA-UHFFFAOYSA-N -1 0 404.271 3.590 40 0 HHABRM CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)ccc2Cl)cc1 ZINC000224981787 568607332 /nfs/dbraw/zinc/60/73/32/568607332.db2.gz PESVUIITKSIBJO-UHFFFAOYSA-N -1 0 406.312 3.995 40 0 HHABRM Cc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 ZINC000225074610 568612734 /nfs/dbraw/zinc/61/27/34/568612734.db2.gz XKZVEEWAUXQAGO-UHFFFAOYSA-N -1 0 402.501 3.516 40 0 HHABRM Cc1ccc(S(=O)(=O)N(C)[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000225161792 568619445 /nfs/dbraw/zinc/61/94/45/568619445.db2.gz GUYFMGQGIQVSEN-INIZCTEOSA-N -1 0 402.299 3.618 40 0 HHABRM CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)s1 ZINC000225611382 568656837 /nfs/dbraw/zinc/65/68/37/568656837.db2.gz NVZVMWBUNNKBQQ-UHFFFAOYSA-N -1 0 409.320 3.630 40 0 HHABRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)s2)cc1 ZINC000225647258 568659960 /nfs/dbraw/zinc/65/99/60/568659960.db2.gz XLAIDIRAEZBWIV-UHFFFAOYSA-N -1 0 402.501 3.516 40 0 HHABRM CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000225755204 568671567 /nfs/dbraw/zinc/67/15/67/568671567.db2.gz MAKHAKHKBQWTRQ-ZWRJDUBHSA-N -1 0 416.543 3.604 40 0 HHABRM CCCSc1nnc([N-]S(=O)(=O)c2cc(Br)ccc2OC)s1 ZINC000225806092 568675941 /nfs/dbraw/zinc/67/59/41/568675941.db2.gz HNEYKSCCLWIOSZ-UHFFFAOYSA-N -1 0 424.367 3.612 40 0 HHABRM Cc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c(C)c1 ZINC000225813591 568676769 /nfs/dbraw/zinc/67/67/69/568676769.db2.gz HXPZNDBBHYIYRG-UHFFFAOYSA-N -1 0 422.919 3.861 40 0 HHABRM CN([C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000260679615 568725651 /nfs/dbraw/zinc/72/56/51/568725651.db2.gz SVDOODBPCKHBCI-OAQYLSRUSA-N -1 0 411.479 3.795 40 0 HHABRM CS(=O)(=O)N(c1ccc(F)cc1)[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000260680921 568726148 /nfs/dbraw/zinc/72/61/48/568726148.db2.gz XZGOFXDBEOOPGU-OAHLLOKOSA-N -1 0 406.262 3.594 40 0 HHABRM CCCC[C@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)[O-] ZINC000256027776 568774616 /nfs/dbraw/zinc/77/46/16/568774616.db2.gz BCQZRJKDRSIUQE-IBGZPJMESA-N -1 0 409.438 3.598 40 0 HHABRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1-n1cccc1 ZINC000257277255 568797805 /nfs/dbraw/zinc/79/78/05/568797805.db2.gz NXBYSULMLVUXTD-UHFFFAOYSA-N -1 0 408.401 3.923 40 0 HHABRM CN(CCCc1nc(NCCOc2ccc(F)cc2)ncc1C(=O)[O-])c1ccccc1 ZINC000257304235 568805754 /nfs/dbraw/zinc/80/57/54/568805754.db2.gz SKRSPSHMDKQESI-UHFFFAOYSA-N -1 0 424.476 3.874 40 0 HHABRM CCCS(=O)(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])c(CCc2ccc(F)cc2)n1 ZINC000257305952 568806365 /nfs/dbraw/zinc/80/63/65/568806365.db2.gz SSFXIYODVRAQFV-FQEVSTJZSA-N -1 0 420.506 3.581 40 0 HHABRM [O-]c1c(Br)cc(Cl)cc1-c1nnc2nc(-c3ccccc3)cnn21 ZINC000261362960 568819356 /nfs/dbraw/zinc/81/93/56/568819356.db2.gz FOBRIMWOIKFTNI-UHFFFAOYSA-N -1 0 402.639 3.975 40 0 HHABRM O=C([O-])[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218242892 568928606 /nfs/dbraw/zinc/92/86/06/568928606.db2.gz ATUVSBBERVEMRU-ILXRZTDVSA-N -1 0 415.692 3.743 40 0 HHABRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000007051748 568968823 /nfs/dbraw/zinc/96/88/23/568968823.db2.gz AUKCIKXOILOMJN-UHFFFAOYSA-N -1 0 411.321 3.859 40 0 HHABRM CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017090770 569274737 /nfs/dbraw/zinc/27/47/37/569274737.db2.gz DGUFXYSKIBSHAD-CFVMTHIKSA-N -1 0 416.543 3.761 40 0 HHABRM O=C([O-])[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000242400304 569326827 /nfs/dbraw/zinc/32/68/27/569326827.db2.gz ATUVSBBERVEMRU-RBSFLKMASA-N -1 0 415.692 3.743 40 0 HHABRM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000006943752 569335275 /nfs/dbraw/zinc/33/52/75/569335275.db2.gz LTGBUZKCLRXTDE-FYJGNVAPSA-N -1 0 414.465 3.718 40 0 HHABRM CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2OC)C1=O ZINC000006963829 569336398 /nfs/dbraw/zinc/33/63/98/569336398.db2.gz CXWIHIWNTAQQPD-KAMYIIQDSA-N -1 0 416.886 3.579 40 0 HHABRM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1Cl ZINC000006966835 569336564 /nfs/dbraw/zinc/33/65/64/569336564.db2.gz VFFNMRBFBPNZNN-LICLKQGHSA-N -1 0 406.829 3.501 40 0 HHABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000008477201 569341541 /nfs/dbraw/zinc/34/15/41/569341541.db2.gz JYIHYWOUXMVXTM-DEDYPNTBSA-N -1 0 408.429 3.809 40 0 HHABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000008477213 569341584 /nfs/dbraw/zinc/34/15/84/569341584.db2.gz LUDTWAKFFPQZMZ-CPNJWEJPSA-N -1 0 408.429 3.809 40 0 HHABRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(Cl)cc1OC ZINC000033670263 569350936 /nfs/dbraw/zinc/35/09/36/569350936.db2.gz LIHKXMPPDDZUAH-NTUHNPAUSA-N -1 0 404.806 3.843 40 0 HHABRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC#N)c(OC)c3)C2=O)c1 ZINC000033741182 569351266 /nfs/dbraw/zinc/35/12/66/569351266.db2.gz ZDQFKMPMBCFAOU-GZTJUZNOSA-N -1 0 421.409 3.503 40 0 HHABRM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000052410733 569352249 /nfs/dbraw/zinc/35/22/49/569352249.db2.gz KJUZBMIZCJBLES-UHFFFAOYSA-N -1 0 417.490 3.966 40 0 HHABRM COc1cccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1OCC(=O)[O-] ZINC000214526615 569356458 /nfs/dbraw/zinc/35/64/58/569356458.db2.gz GEGXSPXULOYCMS-LICLKQGHSA-N -1 0 413.451 3.704 40 0 HHABRM COC[C@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514495 569387946 /nfs/dbraw/zinc/38/79/46/569387946.db2.gz CQLKZNPTHAXMKX-JZXOWHBKSA-N -1 0 415.294 3.651 40 0 HHABRM [O-]C(c1cccs1)=C1[C@H](c2ccccc2Cl)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000008763672 569390245 /nfs/dbraw/zinc/39/02/45/569390245.db2.gz KKZCBLLRQNFTEP-XUJVJEKNSA-N -1 0 420.865 3.670 40 0 HHABRM Cc1cc(OS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC000028616637 965140319 /nfs/dbraw/zinc/14/03/19/965140319.db2.gz GOVWIQLEPGQXJL-UHFFFAOYSA-N -1 0 406.847 3.608 40 0 HHABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCN(c3ccccc3Cl)CC1)[C@H]2C(=O)[O-] ZINC000004749471 132287424 /nfs/dbraw/zinc/28/74/24/132287424.db2.gz RZZMIAUVCBPSGP-ITKAJJHTSA-N -1 0 402.922 3.682 40 0 HHABRM CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC[C@@H](CC(=O)[O-])OC ZINC000043772653 521137871 /nfs/dbraw/zinc/13/78/71/521137871.db2.gz CQMVTHTYLSWGRI-URRDGBCDSA-N -1 0 412.567 3.736 40 0 in-vitro HHABRM Cc1nn2c(ncc3c(=O)n([C@H](C(=O)[O-])C(C)C)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397653 526312739 /nfs/dbraw/zinc/31/27/39/526312739.db2.gz UBXAWKPMQFZFAR-SFHVURJKSA-N -1 0 410.861 3.955 40 0 HHABRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(-c3ccccc3)[nH]c(C)c2C(C)=O)cc1 ZINC000001610053 557275810 /nfs/dbraw/zinc/27/58/10/557275810.db2.gz AXAONVUDZAXPRT-UHFFFAOYSA-N -1 0 411.483 3.952 40 0 HHABRM Cc1cc(C=O)c(C)n1NC(=O)c1cc(Br)cc(Br)c1[O-] ZINC000408566981 557465304 /nfs/dbraw/zinc/46/53/04/557465304.db2.gz JNAAKGJEVRIYDU-UHFFFAOYSA-N -1 0 416.069 3.532 40 0 HHABRM O=C([O-])c1cccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000003641751 557496011 /nfs/dbraw/zinc/49/60/11/557496011.db2.gz NWGYQTVHIXHPJH-LDADJPATSA-N -1 0 407.813 3.926 40 0 HHABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c(OC)c1 ZINC000408595855 557513754 /nfs/dbraw/zinc/51/37/54/557513754.db2.gz VKWPXDSLJCHMGO-UHFFFAOYSA-N -1 0 419.503 3.522 40 0 HHABRM COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000408615749 557542089 /nfs/dbraw/zinc/54/20/89/557542089.db2.gz CSQCFCXQAUGSAQ-AWEZNQCLSA-N -1 0 410.923 3.522 40 0 HHABRM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1C ZINC000408620924 557545760 /nfs/dbraw/zinc/54/57/60/557545760.db2.gz KKKKRWSYRBJHKY-UHFFFAOYSA-N -1 0 400.422 3.954 40 0 HHABRM CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000035898017 557650955 /nfs/dbraw/zinc/65/09/55/557650955.db2.gz OVVNVVHHKZMHOS-FZCLSBEQSA-N -1 0 424.522 3.846 40 0 HHABRM CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000005633087 557665899 /nfs/dbraw/zinc/66/58/99/557665899.db2.gz SWZHUSWDGRDFDQ-WOJBJXKFSA-N -1 0 413.518 3.992 40 0 HHABRM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl ZINC000005897303 557679732 /nfs/dbraw/zinc/67/97/32/557679732.db2.gz QVQJRDNHWHYNOK-UHFFFAOYSA-N -1 0 413.282 3.892 40 0 HHABRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000020107616 558334169 /nfs/dbraw/zinc/33/41/69/558334169.db2.gz SPVIZCGNTBNRSM-INIZCTEOSA-N -1 0 411.483 3.597 40 0 HHABRM COCc1[n-]n2c(nc(CSc3ccccn3)cc2=O)c1-c1ccc(OC)cc1 ZINC000019594226 558945096 /nfs/dbraw/zinc/94/50/96/558945096.db2.gz NRAMXKVJKDHXEO-UHFFFAOYSA-N -1 0 408.483 3.944 40 0 HHABRM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O ZINC000100068868 559129333 /nfs/dbraw/zinc/12/93/33/559129333.db2.gz KODZZQRBNCYHFW-AWEZNQCLSA-N -1 0 422.441 3.682 40 0 HHABRM Cc1cccc2[nH]c(C(=O)N[C@@H](C)c3cc(=O)n4[n-]c(C5CCOCC5)cc4n3)cc21 ZINC000100769411 559140058 /nfs/dbraw/zinc/14/00/58/559140058.db2.gz DOCGJODYZSOZPS-AWEZNQCLSA-N -1 0 419.485 3.610 40 0 HHABRM O=C1C[C@H](c2cc(=O)n3[n-]cc(-c4ccc(F)cc4)c3n2)CN1Cc1ccccc1 ZINC000100775501 559140462 /nfs/dbraw/zinc/14/04/62/559140462.db2.gz LGQHTBUGINWGPM-KRWDZBQOSA-N -1 0 402.429 3.757 40 0 HHABRM O=C1C[C@@H](c2cc(=O)n3[n-]cc(-c4ccc(Cl)cc4)c3n2)CN1Cc1ccncc1 ZINC000100776478 559140651 /nfs/dbraw/zinc/14/06/51/559140651.db2.gz KLBZALQNVRJUCO-MRXNPFEDSA-N -1 0 419.872 3.666 40 0 HHABRM CCOC(=O)c1ccc(N2C(=O)C[C@H](Nc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000102407520 559150246 /nfs/dbraw/zinc/15/02/46/559150246.db2.gz WTPYPQGTVZUDJC-HNNXBMFYSA-N -1 0 423.252 3.620 40 0 HHABRM COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000514288413 560034968 /nfs/dbraw/zinc/03/49/68/560034968.db2.gz DEUDXARZSTWKHL-ROUUACIJSA-N -1 0 421.497 3.676 40 0 biogenic,in-vitro HHABRM CN(CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000020463508 560092903 /nfs/dbraw/zinc/09/29/03/560092903.db2.gz WBDYABXRBVMASG-WMZOPIPTSA-N -1 0 415.921 3.815 40 0 biogenic,in-vitro HHABRM Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1 ZINC000408801809 560642598 /nfs/dbraw/zinc/64/25/98/560642598.db2.gz BWNFKGAODJNYLW-UHFFFAOYSA-N -1 0 403.867 3.875 40 0 HHABRM COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1 ZINC000408808580 560643762 /nfs/dbraw/zinc/64/37/62/560643762.db2.gz MOILYTBKYIGMPA-UHFFFAOYSA-N -1 0 419.866 3.575 40 0 HHABRM CCN1C(=O)S/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409095727 560675686 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HHABRM COc1cccc(CN(CC(=O)[O-])C(=O)COc2ccccc2Oc2ccccc2)c1 ZINC000257221245 559283586 /nfs/dbraw/zinc/28/35/86/559283586.db2.gz DOCBDPIFJRUXJZ-UHFFFAOYSA-N -1 0 421.449 3.980 40 0 HHABRM O=C([O-])C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288935 560033644 /nfs/dbraw/zinc/03/36/44/560033644.db2.gz LMCZMNWKDARDDS-GJZGRUSLSA-N -1 0 410.449 3.889 40 0 biogenic,in-vitro HHABRM Cc1c(Cl)cccc1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1 ZINC000408883902 560649721 /nfs/dbraw/zinc/64/97/21/560649721.db2.gz XDTRWWPVHAPYSN-UHFFFAOYSA-N -1 0 419.865 3.770 40 0 HHABRM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000409020970 560666717 /nfs/dbraw/zinc/66/67/17/560666717.db2.gz WIJGETBRNVSLEM-HPUUJOOBSA-N -1 0 415.423 3.633 40 0 HHABRM O=C1N/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)N1Cc1ccccc1 ZINC000409255100 560703100 /nfs/dbraw/zinc/70/31/00/560703100.db2.gz XVZPLVKXORUSEX-AUWJEWJLSA-N -1 0 407.651 3.901 40 0 HHABRM CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1OCC(=O)[O-] 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ZINC000224860558 568600864 /nfs/dbraw/zinc/60/08/64/568600864.db2.gz VMQXCOJTDMLUKP-UHFFFAOYSA-N -1 0 420.541 3.622 40 0 HHABRM O=C([O-])CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225046660 568611028 /nfs/dbraw/zinc/61/10/28/568611028.db2.gz TUPHBEWVZBDINJ-UHFFFAOYSA-N -1 0 420.284 3.882 40 0 HHABRM CCCC[C@H](CC)C[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000225120874 568615500 /nfs/dbraw/zinc/61/55/00/568615500.db2.gz NDZAECZAHZCMOC-AWEZNQCLSA-N -1 0 410.565 3.594 40 0 HHABRM CS(=O)(=O)N(c1ccc(F)cc1)[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000225161666 568619328 /nfs/dbraw/zinc/61/93/28/568619328.db2.gz SCFCHMXXDWPCOA-HNNXBMFYSA-N -1 0 406.262 3.594 40 0 HHABRM CN([C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000225162323 568619354 /nfs/dbraw/zinc/61/93/54/568619354.db2.gz NDVPDSHRRWDSRX-HNNXBMFYSA-N -1 0 421.824 3.675 40 0 HHABRM O=C([O-])C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000225224958 568624536 /nfs/dbraw/zinc/62/45/36/568624536.db2.gz 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558938288 /nfs/dbraw/zinc/93/82/88/558938288.db2.gz GAUAACHTYSMTOY-UHFFFAOYSA-N -1 0 409.873 3.694 40 0 HHABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013961400 559033917 /nfs/dbraw/zinc/03/39/17/559033917.db2.gz TVIODBURJSOHHS-KSCDAYEDSA-N -1 0 413.477 3.678 40 0 HHABRM CC(C)CC(=O)N1CCCC[C@H]1c1ncc(C(=O)[O-])c(COc2ccc(F)cc2)n1 ZINC000585265865 559112460 /nfs/dbraw/zinc/11/24/60/559112460.db2.gz ULAWGBASTXVMES-IBGZPJMESA-N -1 0 415.465 3.993 40 0 HHABRM COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000100517706 559136120 /nfs/dbraw/zinc/13/61/20/559136120.db2.gz JYJQMKATQMDTHU-FSSWDIPSSA-N -1 0 400.434 3.746 40 0 HHABRM COc1ccc(-c2c(C)[n-]n3c2nc(CCc2c(C)n[nH]c2C)cc3=O)cc1OC ZINC000100775899 559140569 /nfs/dbraw/zinc/14/05/69/559140569.db2.gz XGFUFTZXUCCRNK-UHFFFAOYSA-N -1 0 407.474 3.553 40 0 HHABRM COCc1[n-]n2c(nc([C@H](C)Cn3nccc3C)cc2=O)c1-c1ccc(OC)cc1 ZINC000100775975 559140591 /nfs/dbraw/zinc/14/05/91/559140591.db2.gz 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568797372 /nfs/dbraw/zinc/79/73/72/568797372.db2.gz NSEYMWKRQDRJCN-IBGZPJMESA-N -1 0 406.515 3.742 40 0 HHABRM CC(=O)N1CCCC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@H]21 ZINC000257299255 568804201 /nfs/dbraw/zinc/80/42/01/568804201.db2.gz RPHPSIWFCHFISF-GHTZIAJQSA-N -1 0 416.562 3.670 40 0 HHABRM CN(CCOc1ccccc1F)c1ncc(C(=O)[O-])c(COc2ccc(F)cc2)n1 ZINC000257324448 568811710 /nfs/dbraw/zinc/81/17/10/568811710.db2.gz WOSOIRQBYPRCFV-UHFFFAOYSA-N -1 0 415.396 3.547 40 0 HHABRM CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OCC(=O)[O-])OCC[C@@]31C2 ZINC000257327867 568812404 /nfs/dbraw/zinc/81/24/04/568812404.db2.gz XDCBZOVZMQRAJZ-AXNFSZQKSA-N -1 0 415.530 3.805 40 0 HHABRM COc1cccc(N2[C@H]3CCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]3CC2(C)C)c1 ZINC000257336512 568815166 /nfs/dbraw/zinc/81/51/66/568815166.db2.gz YOUFCLXUYFHBEC-OALUTQOASA-N -1 0 402.535 3.935 40 0 HHABRM Cc1n[nH]c(SC(=Cc2cccn2-c2ccc(Br)cc2)C(=O)[O-])n1 ZINC000006328694 569331157 /nfs/dbraw/zinc/33/11/57/569331157.db2.gz 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Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000010368721 569344282 /nfs/dbraw/zinc/34/42/82/569344282.db2.gz LCXNUYZZVLSJNW-UHFFFAOYSA-N -1 0 424.906 3.532 40 0 HHABRM O=C(NCCSCc1ccco1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000026114194 569349905 /nfs/dbraw/zinc/34/99/05/569349905.db2.gz OOTZVJMLUCVEEO-UHFFFAOYSA-N -1 0 422.553 3.805 40 0 HHABRM COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1OCC(=O)[O-] ZINC000214202924 569356159 /nfs/dbraw/zinc/35/61/59/569356159.db2.gz GCATVWNSECKRHU-CXUHLZMHSA-N -1 0 417.414 3.534 40 0 HHABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc(F)c3)c2C)c1 ZINC000014231648 962451129 /nfs/dbraw/zinc/45/11/29/962451129.db2.gz FATNOHVGVRFOAC-UHFFFAOYSA-N -1 0 419.478 3.505 40 0 HHABRM O=S(=O)([N-]c1nn(Cc2ccccc2F)cc1Br)c1cccs1 ZINC000014234209 962452139 /nfs/dbraw/zinc/45/21/39/962452139.db2.gz AWZKQSFEXYFEML-UHFFFAOYSA-N -1 0 416.297 3.695 40 0 HHABRM C[C@@H](NC(=O)COc1ccccc1)c1c(-c2ccc(Cl)cc2)noc1C(=O)[O-] ZINC000096296838 291256557 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962452115 /nfs/dbraw/zinc/45/21/15/962452115.db2.gz MFUIFQQWUJQQLB-UHFFFAOYSA-N -1 0 406.305 3.803 40 0 HHABRM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 ZINC000028577161 965135404 /nfs/dbraw/zinc/13/54/04/965135404.db2.gz AJRCBWYCLUQYCD-UHFFFAOYSA-N -1 0 410.268 3.883 40 0 HHABRM 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(=O)[C@]12C ZINC000118913135 291256293 /nfs/dbraw/zinc/25/62/93/291256293.db2.gz MIHNUBCEFJLAGN-ZTGGECKRSA-N -1 0 406.563 3.657 40 0 biogenic,in-vitro HHABRM CCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397497 522710060 /nfs/dbraw/zinc/71/00/60/522710060.db2.gz CCYHGKIBBUGYGO-UHFFFAOYSA-N -1 0 410.861 3.792 40 0 HHABRM Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000032610381 526292558 /nfs/dbraw/zinc/29/25/58/526292558.db2.gz XGYMPSUNPFEEHQ-JKSUJKDBSA-N -1 0 405.857 3.946 40 0 HHABRM O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)OCc1ccccc1 ZINC000044909885 527647337 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559140572 /nfs/dbraw/zinc/14/05/72/559140572.db2.gz UMTBTTDLYKKFFX-AWEZNQCLSA-N -1 0 421.501 3.990 40 0 HHABRM CCc1[n-]n2c(nc(CCc3c(C)n[nH]c3C)cc2=O)c1-c1ccc(OC)c(OC)c1 ZINC000100775939 559140577 /nfs/dbraw/zinc/14/05/77/559140577.db2.gz MYJCBOGUFOTPBT-UHFFFAOYSA-N -1 0 421.501 3.807 40 0 HHABRM COCc1[n-]n2c(nc(Cc3ccc(OC)cc3)cc2=O)c1-c1ccc(OC)cc1 ZINC000100776158 559140580 /nfs/dbraw/zinc/14/05/80/559140580.db2.gz MNTMGWNEKRUSTB-UHFFFAOYSA-N -1 0 405.454 3.856 40 0 HHABRM CC(=O)N[C@H](c1c(-c2ccccc2)[n-]n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl ZINC000100988025 559142501 /nfs/dbraw/zinc/14/25/01/559142501.db2.gz FGNOUTRQMSNGNW-NVXWUHKLSA-N -1 0 424.715 3.929 40 0 HHABRM O=C(Nc1ccccc1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21 ZINC000102983408 559154071 /nfs/dbraw/zinc/15/40/71/559154071.db2.gz DBBVNDGQANXYMF-UGKGYDQZSA-N -1 0 417.392 3.744 40 0 HHABRM CCOC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000104212674 559159123 /nfs/dbraw/zinc/15/91/23/559159123.db2.gz NULSRGWPIVEFNA-ZDUSSCGKSA-N 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COc1ccc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)cc1Br ZINC000224880207 568601938 /nfs/dbraw/zinc/60/19/38/568601938.db2.gz GZPAWEBHRZJQEB-UHFFFAOYSA-N -1 0 424.367 3.611 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)ccc2C)cc1Cl ZINC000224959413 568605881 /nfs/dbraw/zinc/60/58/81/568605881.db2.gz IQZYTIABRYYIBX-UHFFFAOYSA-N -1 0 404.271 3.590 40 0 HHABRM CSc1ccc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)cc1NC(C)=O ZINC000225052999 568611390 /nfs/dbraw/zinc/61/13/90/568611390.db2.gz JKSFNJJNALFLOP-UHFFFAOYSA-N -1 0 418.591 3.520 40 0 HHABRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)s2)cc1 ZINC000225109651 568615032 /nfs/dbraw/zinc/61/50/32/568615032.db2.gz INKMNOPLOHFPMY-UHFFFAOYSA-N -1 0 410.565 3.592 40 0 HHABRM CN([C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000225161854 568619356 /nfs/dbraw/zinc/61/93/56/568619356.db2.gz MGCIFGXHSMFVMA-HNNXBMFYSA-N -1 0 422.717 3.963 40 0 HHABRM CC(C)Sc1nnc([N-]S(=O)(=O)Cc2cccc(Br)c2)s1 ZINC000225552281 568650335 /nfs/dbraw/zinc/65/03/35/568650335.db2.gz UWAYRTLMSWLXHU-UHFFFAOYSA-N -1 0 408.368 3.743 40 0 HHABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCC(C)C)CCCC2 ZINC000225603798 568656203 /nfs/dbraw/zinc/65/62/03/568656203.db2.gz ZQAJRUUUIYHMTJ-UHFFFAOYSA-N -1 0 416.543 3.761 40 0 HHABRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000225752194 568671197 /nfs/dbraw/zinc/67/11/97/568671197.db2.gz LEASUISWISUSPF-UHFFFAOYSA-N -1 0 423.903 3.754 40 0 HHABRM COCCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc2nc(Cl)sc2c1 ZINC000225980466 568689827 /nfs/dbraw/zinc/68/98/27/568689827.db2.gz QBULHOBOJYUWEJ-UHFFFAOYSA-N -1 0 408.863 3.920 40 0 HHABRM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C ZINC000059502701 568708704 /nfs/dbraw/zinc/70/87/04/568708704.db2.gz YHPGPFSDENNXSA-UHFFFAOYSA-N -1 0 411.501 3.519 40 0 HHABRM Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000000849893 568711021 /nfs/dbraw/zinc/71/10/21/568711021.db2.gz YRXZMGWCFXGMIX-LMGFAJPXSA-N -1 0 409.441 3.630 40 0 HHABRM Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(=O)[O-])c3ccccc3C2c2ccccc21 ZINC000000849895 568711121 /nfs/dbraw/zinc/71/11/21/568711121.db2.gz YRXZMGWCFXGMIX-OLJONYEBSA-N -1 0 409.441 3.630 40 0 HHABRM Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 ZINC000260927154 568744785 /nfs/dbraw/zinc/74/47/85/568744785.db2.gz YLPCQPZNYUQVLJ-NPFVIJTESA-N -1 0 420.538 3.945 40 0 HHABRM COc1ccc(C(=O)N(C2=C([O-])N(c3ccccc3)C(=O)C2)c2ccccc2)cc1 ZINC000000956442 568757714 /nfs/dbraw/zinc/75/77/14/568757714.db2.gz UQQCBESKRYVHEU-OAQYLSRUSA-N -1 0 400.434 3.674 40 0 HHABRM COc1cccc(CN(CC(=O)[O-])C(=O)c2cnc(Nc3ccc(C)cc3)nc2C)c1 ZINC000257220027 568782076 /nfs/dbraw/zinc/78/20/76/568782076.db2.gz DJFNCLXFKQNELB-UHFFFAOYSA-N -1 0 420.469 3.573 40 0 HHABRM COc1cccc(CN(CC(=O)[O-])C(=O)c2ccnc(Cc3cccc(F)c3)c2)c1 ZINC000257226308 568783963 /nfs/dbraw/zinc/78/39/63/568783963.db2.gz FKCHTMTYTUILDL-UHFFFAOYSA-N -1 0 408.429 3.547 40 0 HHABRM COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccnc(Cc2cccc(F)c2)c1 ZINC000257241583 568787950 /nfs/dbraw/zinc/78/79/50/568787950.db2.gz HYPQQVDUNMZKNA-UHFFFAOYSA-N -1 0 408.429 3.547 40 0 HHABRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(OCc2ccccc2F)cc1 ZINC000257249381 568790168 /nfs/dbraw/zinc/79/01/68/568790168.db2.gz JIAMBBCBTWYGGT-UHFFFAOYSA-N -1 0 403.406 3.663 40 0 HHABRM O=C([O-])CN(Cc1cccc(F)c1F)C(=O)c1ccnc(Cc2cccc(F)c2)c1 ZINC000257284198 568799701 /nfs/dbraw/zinc/79/97/01/568799701.db2.gz PBRUQRCIWQNTCT-UHFFFAOYSA-N -1 0 414.383 3.817 40 0 HHABRM CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])c(CCc2ccc(F)cc2)n1 ZINC000257305953 568806230 /nfs/dbraw/zinc/80/62/30/568806230.db2.gz SSFXIYODVRAQFV-HXUWFJFHSA-N -1 0 420.506 3.581 40 0 HHABRM CCCCS(=O)(=O)[N-]c1nn(Cc2ccccc2)c2nnc(-c3ccoc3)cc12 ZINC000306124471 568887459 /nfs/dbraw/zinc/88/74/59/568887459.db2.gz BQRITVQINALQJS-UHFFFAOYSA-N -1 0 411.487 3.676 40 0 HHABRM COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000006707007 569334450 /nfs/dbraw/zinc/33/44/50/569334450.db2.gz XRPQQFVUVRPMGI-UHFFFAOYSA-N -1 0 410.923 3.524 40 0 HHABRM Cc1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1 ZINC000006860327 569334902 /nfs/dbraw/zinc/33/49/02/569334902.db2.gz RMYBGDXXNLBCHU-DEDYPNTBSA-N -1 0 416.433 3.829 40 0 HHABRM CCc1nc(SC(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])n[nH]1 ZINC000007342445 569337026 /nfs/dbraw/zinc/33/70/26/569337026.db2.gz KXTJVYAJRCAVDS-YBEGLDIGSA-N -1 0 413.459 3.901 40 0 HHABRM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000007360872 569337331 /nfs/dbraw/zinc/33/73/31/569337331.db2.gz WLOFBBRSSFBZJC-UHFFFAOYSA-N -1 0 410.451 3.746 40 0 HHABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000008470407 569341120 /nfs/dbraw/zinc/34/11/20/569341120.db2.gz UWTCBAKIMMHXHX-QZTJIDSGSA-N -1 0 406.438 3.625 40 0 HHABRM O=C([O-])CSc1nnc(COc2cccc3cccnc32)n1CCc1ccccc1 ZINC000012706865 569402821 /nfs/dbraw/zinc/40/28/21/569402821.db2.gz AIJCXRXALRYWTJ-UHFFFAOYSA-N -1 0 420.494 3.825 40 0 HHABRM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Br)cc3)c2)cc1 ZINC000014230935 962452044 /nfs/dbraw/zinc/45/20/44/962452044.db2.gz GMYKUFHBDJOCKX-UHFFFAOYSA-N -1 0 422.304 3.503 40 0 HHABRM CCC(CC)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3cc(OC)ccc32)C1 ZINC000049590447 291249125 /nfs/dbraw/zinc/24/91/25/291249125.db2.gz NHGAGJBVKOMTMO-HKUYNNGSSA-N -1 0 414.546 3.806 40 0 biogenic,in-vitro HHABRM COc1ccc(-c2cc(C[C@@]3(C(=O)[O-])CCCN(C(=O)CC(C)C)C3)on2)cc1 ZINC000072395041 523108788 /nfs/dbraw/zinc/10/87/88/523108788.db2.gz CBCUTOIHDXWONJ-QFIPXVFZSA-N -1 0 400.475 3.632 40 0 HHABRM Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc(C(=O)[O-])c1O ZINC000020144804 525114365 /nfs/dbraw/zinc/11/43/65/525114365.db2.gz YLAHCDJEGUMMGY-UHFFFAOYSA-N -1 0 408.248 3.957 40 0 HHABRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Cl)cc1Cl ZINC000001786726 557287735 /nfs/dbraw/zinc/28/77/35/557287735.db2.gz WXUJDJWTFDGTTE-INIZCTEOSA-N -1 0 407.253 3.666 40 0 HHABRM CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccc(OCC(=O)[O-])c2)cc1 ZINC000002219707 557328081 /nfs/dbraw/zinc/32/80/81/557328081.db2.gz QXEXDXKAAURLOF-UHFFFAOYSA-N -1 0 410.499 3.877 40 0 HHABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Cl)cc1Cl ZINC000003135916 557449961 /nfs/dbraw/zinc/44/99/61/557449961.db2.gz COLBFFWOKLWBGN-UHFFFAOYSA-N -1 0 423.281 3.837 40 0 HHABRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)C(=O)Nc1ccccc1 ZINC000408562342 557460927 /nfs/dbraw/zinc/46/09/27/557460927.db2.gz OZRHHPPINWZVNJ-UHFFFAOYSA-N -1 0 411.845 3.535 40 0 HHABRM CC(=O)N(Cc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000408564864 557472379 /nfs/dbraw/zinc/47/23/79/557472379.db2.gz GEXOYIMGQHOJKT-UHFFFAOYSA-N -1 0 422.403 3.793 40 0 HHABRM O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000408594225 557511860 /nfs/dbraw/zinc/51/18/60/557511860.db2.gz NXSFQWFECBSPAA-FRKPEAEDSA-N -1 0 421.236 3.550 40 0 HHABRM COc1cc(CNc2cccc(C(=O)[O-])c2)cc(I)c1OC ZINC000408614119 557538082 /nfs/dbraw/zinc/53/80/82/557538082.db2.gz YNKDLEFYPHGEDX-UHFFFAOYSA-N -1 0 413.211 3.619 40 0 HHABRM CC(=O)Nc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000408614534 557538568 /nfs/dbraw/zinc/53/85/68/557538568.db2.gz DKGUVTFOUWCLCB-UHFFFAOYSA-N -1 0 409.467 3.698 40 0 HHABRM CCc1nnc(S/C(=C\c2cc(Br)c(Br)o2)C(=O)[O-])o1 ZINC000408630493 557568672 /nfs/dbraw/zinc/56/86/72/557568672.db2.gz AKJBRKKLFGZLLI-DAXSKMNVSA-N -1 0 424.070 3.968 40 0 HHABRM Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000035898014 557650960 /nfs/dbraw/zinc/65/09/60/557650960.db2.gz HOXIIWMCUSQMAB-ATLSCFEFSA-N -1 0 424.522 3.901 40 0 HHABRM O=C([O-])[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000008700597 557800655 /nfs/dbraw/zinc/80/06/55/557800655.db2.gz SQZGPGBZYHBPSB-FGZHOGPDSA-N -1 0 421.424 3.851 40 0 HHABRM O=C([O-])c1ccc(CNC(=O)c2cc(I)ccc2Cl)cc1 ZINC000020138545 558338180 /nfs/dbraw/zinc/33/81/80/558338180.db2.gz WWGGUBVPBQAXOY-UHFFFAOYSA-N -1 0 415.614 3.573 40 0 HHABRM COc1ccc(C(=O)[O-])cc1NC(=O)COc1c(C)cc(C)cc1Br ZINC000020144425 558339670 /nfs/dbraw/zinc/33/96/70/558339670.db2.gz OLZJZUBIJVBNAZ-UHFFFAOYSA-N -1 0 408.248 3.790 40 0 HHABRM COc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020452803 558366825 /nfs/dbraw/zinc/36/68/25/558366825.db2.gz BDXLEANSJHYOCT-INIZCTEOSA-N -1 0 410.495 3.987 40 0 HHABRM CCOC(=O)CCc1c(=O)n(-c2nc3ccccc3[nH]2)[n-]c1-c1ccc(OC)cc1 ZINC000013611275 558548481 /nfs/dbraw/zinc/54/84/81/558548481.db2.gz HVRFMCWXAOFBCF-UHFFFAOYSA-N -1 0 406.442 3.626 40 0 HHABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c1 ZINC000013948498 558607269 /nfs/dbraw/zinc/60/72/69/558607269.db2.gz PKCUKTLWLICPCO-UHFFFAOYSA-N -1 0 406.685 3.921 40 0 HHABRM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000038754062 558814192 /nfs/dbraw/zinc/81/41/92/558814192.db2.gz GXTUGEPBJZTLBK-UHFFFAOYSA-N -1 0 411.483 3.922 40 0 HHABRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1c(Br)cc(F)cc1Br ZINC000013469729 558827479 /nfs/dbraw/zinc/82/74/79/558827479.db2.gz PKXGQGCAUOJEGR-DTWKUNHWSA-N -1 0 421.060 3.956 40 0 HHABRM O=C([O-])[C@H]1CC(=O)N(c2ccc3nc(-c4cccc(Br)c4)oc3c2)C1 ZINC000070461342 558891979 /nfs/dbraw/zinc/89/19/79/558891979.db2.gz AVFPUHWTSWXZAL-NSHDSACASA-N -1 0 401.216 3.695 40 0 HHABRM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000256430741 558912740 /nfs/dbraw/zinc/91/27/40/558912740.db2.gz MAFJMPFLJJCSTB-WWKYWCDYSA-N -1 0 404.547 3.865 40 0 HHABRM O=C([O-])CCCC(=O)N[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000585262335 559110866 /nfs/dbraw/zinc/11/08/66/559110866.db2.gz MGDPQJGAYVFKAP-PWHSHALESA-N -1 0 412.486 3.544 40 0 HHABRM CCc1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4nc5ccccc5o4)c3=O)C2=O)cc1 ZINC000100068926 559129471 /nfs/dbraw/zinc/12/94/71/559129471.db2.gz QBCDXYRAGKXNJE-INIZCTEOSA-N -1 0 416.437 3.637 40 0 HHABRM CCc1[n-]n2c(nc(CSc3nccc(C)n3)cc2=O)c1-c1ccc(OC)cc1 ZINC000100071956 559129654 /nfs/dbraw/zinc/12/96/54/559129654.db2.gz DLYVLHPOQOXEFN-UHFFFAOYSA-N -1 0 407.499 3.651 40 0 HHABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000102629103 559151384 /nfs/dbraw/zinc/15/13/84/559151384.db2.gz FBJASIMKFTZFIF-OJXGSEEGSA-N -1 0 400.431 3.601 40 0 HHABRM COc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113893190 559182051 /nfs/dbraw/zinc/18/20/51/559182051.db2.gz SCCVPEFVQMJKAB-UHFFFAOYSA-N -1 0 424.689 3.935 40 0 HHABRM COc1ccccc1CN(CC(=O)[O-])C(=O)COc1ccccc1Oc1ccccc1 ZINC000257246145 559284434 /nfs/dbraw/zinc/28/44/34/559284434.db2.gz ISROPUJRLCYSSB-UHFFFAOYSA-N -1 0 421.449 3.980 40 0 HHABRM CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)[O-])[C@@H]21 ZINC000248246267 560036413 /nfs/dbraw/zinc/03/64/13/560036413.db2.gz QLJODMDSTUBWDW-COZBKYIVSA-N -1 0 422.562 3.716 40 0 biogenic,in-vitro HHABRM Cc1cc(C)nc(SCc2nnc(SCC(=O)[O-])n2-c2cccc(Cl)c2)n1 ZINC000000907144 560545710 /nfs/dbraw/zinc/54/57/10/560545710.db2.gz VAXIAKSHFAXZNR-UHFFFAOYSA-N -1 0 421.935 3.797 40 0 HHABRM COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(C)cc1 ZINC000409128389 560681346 /nfs/dbraw/zinc/68/13/46/560681346.db2.gz FHANWHFYNNDPKY-VCHYOVAHSA-N -1 0 413.451 3.704 40 0 HHABRM COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1cccc(F)c1 ZINC000409134215 560682204 /nfs/dbraw/zinc/68/22/04/560682204.db2.gz OCOZYANTRBXXEE-RQZCQDPDSA-N -1 0 417.414 3.534 40 0 HHABRM Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)c(C)c1 ZINC000409374567 560717095 /nfs/dbraw/zinc/71/70/95/560717095.db2.gz TZQFSHZKCMQDSH-YVLHZVERSA-N -1 0 424.478 3.985 40 0 HHABRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 ZINC000002776570 560732038 /nfs/dbraw/zinc/73/20/38/560732038.db2.gz DJNSYEADGBFNBP-YBFXNURJSA-N -1 0 402.431 3.724 40 0 HHABRM Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)[O-])cc1C ZINC000006613850 560744422 /nfs/dbraw/zinc/74/44/22/560744422.db2.gz BNIIURZGWYHOHQ-UHFFFAOYSA-N -1 0 407.289 3.891 40 0 HHABRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)CC)cc1OCC ZINC000007361199 560750476 /nfs/dbraw/zinc/75/04/76/560750476.db2.gz NMVABQICDLHNDC-OAHLLOKOSA-N -1 0 420.531 3.813 40 0 HHABRM [O-]C(c1cccs1)=C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011990797 560776164 /nfs/dbraw/zinc/77/61/64/560776164.db2.gz AKEUCVWDCLRVMV-XUJVJEKNSA-N -1 0 420.865 3.670 40 0 HHABRM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000100763884 560850863 /nfs/dbraw/zinc/85/08/63/560850863.db2.gz BFYMPCVNAMZPLB-MELADBBJSA-N -1 0 421.877 3.529 40 0 HHABRM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000016096201 560858343 /nfs/dbraw/zinc/85/83/43/560858343.db2.gz UZTSRCOWTAQHPP-UHFFFAOYSA-N -1 0 412.467 3.757 40 0 HHABRM O=C([O-])c1cccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000016399416 560860209 /nfs/dbraw/zinc/86/02/09/560860209.db2.gz FFJPCPYKVZUSCB-UHFFFAOYSA-N -1 0 413.680 3.928 40 0 HHABRM O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1cccc(Br)c1 ZINC000016386157 560860210 /nfs/dbraw/zinc/86/02/10/560860210.db2.gz JSBNXLSRMYJYGH-UHFFFAOYSA-N -1 0 413.680 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3.816 40 0 HHABRM CN(Cc1ccc(F)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000015477671 558740933 /nfs/dbraw/zinc/74/09/33/558740933.db2.gz AWMUOKHUSKYMNA-UHFFFAOYSA-N -1 0 404.488 3.960 40 0 HHABRM O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000585091779 559022932 /nfs/dbraw/zinc/02/29/32/559022932.db2.gz MMLCCAAUQSIQGP-QFIPXVFZSA-N -1 0 407.441 3.656 40 0 HHABRM CCc1[n-]n2c(nc(CSc3nccc(C)n3)cc2=O)c1-c1ccccc1OC ZINC000100071949 559129652 /nfs/dbraw/zinc/12/96/52/559129652.db2.gz YRUCHPOSEAAIRP-UHFFFAOYSA-N -1 0 407.499 3.651 40 0 HHABRM CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=O)/C=C/C(=O)[O-] ZINC000005022178 559229424 /nfs/dbraw/zinc/22/94/24/559229424.db2.gz KJPGEBSOQUTLSR-ZHACJKMWSA-N -1 0 412.442 3.624 40 0 HHABRM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288659 560034316 /nfs/dbraw/zinc/03/43/16/560034316.db2.gz JYZAMTAOORLKMR-HOTGVXAUSA-N -1 0 401.482 3.764 40 0 biogenic,in-vitro HHABRM 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O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000007495324 569337614 /nfs/dbraw/zinc/33/76/14/569337614.db2.gz VPFCLJILOUITSL-SFQUDFHCSA-N -1 0 417.387 3.901 40 0 HHABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000008477212 569341517 /nfs/dbraw/zinc/34/15/17/569341517.db2.gz GINRNCUUGPXYBT-DEDYPNTBSA-N -1 0 408.429 3.809 40 0 HHABRM C#CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000034895379 569351588 /nfs/dbraw/zinc/35/15/88/569351588.db2.gz XSDJIHLOFGBUKG-QGOAFFKASA-N -1 0 420.421 3.613 40 0 HHABRM COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1OCCC(C)C ZINC000062714872 569388266 /nfs/dbraw/zinc/38/82/66/569388266.db2.gz REEBNSRNVYWFSK-XETPZZHUSA-N -1 0 411.498 3.945 40 0 HHABRM COc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(Cl)cc1C(=O)[O-] ZINC000013341235 962388015 /nfs/dbraw/zinc/38/80/15/962388015.db2.gz GWBCCJDJNPJOCQ-UHFFFAOYSA-N -1 0 420.668 3.610 40 0 HHABRM COc1cc(NC(=O)N[C@H](C)c2onc(-c3ccccc3)c2C(=O)[O-])cc(OC)c1 ZINC000096297061 291252821 /nfs/dbraw/zinc/25/28/21/291252821.db2.gz XEMFBPRCZFXQSB-GFCCVEGCSA-N -1 0 411.414 3.940 40 0 biogenic,in-vitro HHABRM O=C([O-])c1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015675750 291259581 /nfs/dbraw/zinc/25/95/81/291259581.db2.gz YMXAQXKJURQSDT-IBGZPJMESA-N -1 0 419.416 3.597 40 0 biogenic,in-vitro HHABRM CCOc1cc(C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc(OCC)c1OCC ZINC000020143410 520668537 /nfs/dbraw/zinc/66/85/37/520668537.db2.gz HDIBZXAXDNWPCB-UHFFFAOYSA-N -1 0 403.431 3.847 40 0 HHABRM Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000019938082 525514460 /nfs/dbraw/zinc/51/44/60/525514460.db2.gz VNKARDNVZYEFJL-UHFFFAOYSA-N -1 0 411.479 3.854 40 0 HHABRM O=C([O-])[C@@H](Cc1ccccc1)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387724 527649089 /nfs/dbraw/zinc/64/90/89/527649089.db2.gz MHGFWHXGVZXQEI-OAQYLSRUSA-N -1 0 410.433 3.580 40 0 HHABRM CCN(CC)C(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000000912038 557116659 /nfs/dbraw/zinc/11/66/59/557116659.db2.gz YXXNMKMIVBRERK-UHFFFAOYSA-N -1 0 403.529 3.888 40 0 HHABRM O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408612360 557530359 /nfs/dbraw/zinc/53/03/59/557530359.db2.gz VOVMPQKBJSVGGS-IBGZPJMESA-N -1 0 404.869 3.843 40 0 HHABRM COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000035897701 557650535 /nfs/dbraw/zinc/65/05/35/557650535.db2.gz YHLRDPDXXHWSOQ-NONVJHHQSA-N -1 0 411.479 3.587 40 0 HHABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408671849 557663195 /nfs/dbraw/zinc/66/31/95/557663195.db2.gz LQKBIEDRJIYMSB-HDICACEKSA-N -1 0 406.438 3.625 40 0 HHABRM COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000035897922 557829578 /nfs/dbraw/zinc/82/95/78/557829578.db2.gz XDSFXTQCNVBYLR-OHFALNGGSA-N -1 0 411.479 3.972 40 0 HHABRM COC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010009686 557853657 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O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000008470150 569341129 /nfs/dbraw/zinc/34/11/29/569341129.db2.gz OGSHTFAZVMXZAG-UHFFFAOYSA-N -1 0 405.366 3.798 40 0 HHABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000008477425 569341523 /nfs/dbraw/zinc/34/15/23/569341523.db2.gz HVGJTLLUSLZLBG-CPNJWEJPSA-N -1 0 408.429 3.809 40 0 HHABRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)cc1[N+](=O)[O-] ZINC000008477277 569341527 /nfs/dbraw/zinc/34/15/27/569341527.db2.gz UQIFMZQBMGIGRJ-LFIBNONCSA-N -1 0 409.398 3.568 40 0 HHABRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 ZINC000008477176 569341574 /nfs/dbraw/zinc/34/15/74/569341574.db2.gz VUEXMCHENSBJIG-CPNJWEJPSA-N -1 0 420.465 3.679 40 0 HHABRM COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(=O)[O-] ZINC000016389997 569345103 /nfs/dbraw/zinc/34/51/03/569345103.db2.gz CAWUOIPHJVXPLP-VGOFMYFVSA-N -1 0 400.818 3.666 40 0 HHABRM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000032034995 569350401 /nfs/dbraw/zinc/35/04/01/569350401.db2.gz YNVSWOLIRATKLW-UHFFFAOYSA-N -1 0 417.350 3.841 40 0 HHABRM CCSc1nnc(C)n1[N-]C(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 ZINC000107687435 569352821 /nfs/dbraw/zinc/35/28/21/569352821.db2.gz OVUMFQIBCFJANI-UHFFFAOYSA-N -1 0 415.544 3.834 40 0 HHABRM C/C(=C\C(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc32)cc1)C(=O)[O-] ZINC000211518431 569356070 /nfs/dbraw/zinc/35/60/70/569356070.db2.gz KBFQENMNLKTESH-BUYIWHAFSA-N -1 0 410.495 3.726 40 0 HHABRM COc1ccc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1 ZINC000213370425 569356076 /nfs/dbraw/zinc/35/60/76/569356076.db2.gz KKKQLNUIKUMNLT-IUXPMGMMSA-N -1 0 413.455 3.715 40 0 HHABRM CCOC(=O)c1oc2c(Br)c([O-])ccc2c(=O)c1-c1csc(C)n1 ZINC000006154920 960862247 /nfs/dbraw/zinc/86/22/47/960862247.db2.gz ADDOLCOGROZKRE-UHFFFAOYSA-N -1 0 410.245 3.870 40 0 HHABRM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S ZINC000006635877 960937545 /nfs/dbraw/zinc/93/75/45/960937545.db2.gz XEDUOGULQAGPBE-SBMLRHLQSA-N -1 0 404.307 3.887 40 0 HHABRM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S ZINC000006635788 960937720 /nfs/dbraw/zinc/93/77/20/960937720.db2.gz DSLUZHGVHUPZTL-XDUBLRSXSA-N -1 0 409.529 3.939 40 0 HHABRM O=C([O-])[C@H](Cc1ccccc1)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387722 526307967 /nfs/dbraw/zinc/30/79/67/526307967.db2.gz MHGFWHXGVZXQEI-NRFANRHFSA-N -1 0 410.433 3.580 40 0 HHABRM O=C([O-])c1cc(Br)cc(Br)c1I ZINC000020134638 526342815 /nfs/dbraw/zinc/34/28/15/526342815.db2.gz JRVOPQKYCDAOLO-UHFFFAOYSA-N -1 0 405.811 3.514 40 0 HHABRM COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OCC(=O)[O-])cc2)c1 ZINC000008703686 536913343 /nfs/dbraw/zinc/91/33/43/536913343.db2.gz KMAHOMQETRUMMQ-QFIPXVFZSA-N -1 0 404.422 3.930 40 0 HHABRM CCCC(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000016636953 559078880 /nfs/dbraw/zinc/07/88/80/559078880.db2.gz MTOKWFSWEJGXKM-UHFFFAOYSA-N -1 0 424.114 3.523 40 0 HHABRM COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000000861764 557104272 /nfs/dbraw/zinc/10/42/72/557104272.db2.gz QZKYSSIUVXFSFR-UHFFFAOYSA-N -1 0 402.472 3.691 40 0 HHABRM O=C([O-])CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000002560915 557356621 /nfs/dbraw/zinc/35/66/21/557356621.db2.gz UNBPEIBIPPJZIR-NRFANRHFSA-N -1 0 404.466 3.761 40 0 in-vitro HHABRM Cc1cc(C)cc(NC(=O)C(=O)Nn2c(CCC(=O)[O-])ccc2-c2cccs2)c1 ZINC000408561522 557459952 /nfs/dbraw/zinc/45/99/52/557459952.db2.gz JDOMOXHRFDHZIK-UHFFFAOYSA-N -1 0 411.483 3.559 40 0 HHABRM O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000408562471 557460941 /nfs/dbraw/zinc/46/09/41/557460941.db2.gz PWBURTIPLAMMTL-UHFFFAOYSA-N -1 0 417.874 3.596 40 0 HHABRM Cc1cc(C=O)c(C)n1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000408567568 557465654 /nfs/dbraw/zinc/46/56/54/557465654.db2.gz OOUGITJXXIOYSE-UHFFFAOYSA-N -1 0 416.069 3.532 40 0 HHABRM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2ccccc2F)cc1 ZINC000003641487 557496008 /nfs/dbraw/zinc/49/60/08/557496008.db2.gz TTYPGJRFOXWTTL-HXUWFJFHSA-N -1 0 411.458 3.594 40 0 HHABRM COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408608634 557532150 /nfs/dbraw/zinc/53/21/50/557532150.db2.gz OIOSRHWDIKRTQW-ZDUSSCGKSA-N -1 0 410.923 3.522 40 0 HHABRM COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000408624861 557545826 /nfs/dbraw/zinc/54/58/26/557545826.db2.gz CTHVFRVMQHSFBK-UHFFFAOYSA-N -1 0 401.271 3.843 40 0 HHABRM COc1cc(OC)c(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000004686162 557581189 /nfs/dbraw/zinc/58/11/89/557581189.db2.gz UNLNELMMYZMXLU-UHFFFAOYSA-N -1 0 418.515 3.567 40 0 HHABRM Cc1ccc(C(=O)[O-])c(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)c1 ZINC000408673578 557673234 /nfs/dbraw/zinc/67/32/34/557673234.db2.gz SZWHSIPKODQRTF-QMIHWGKISA-N -1 0 418.449 3.647 40 0 HHABRM O=C([O-])COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000006597461 557709546 /nfs/dbraw/zinc/70/95/46/557709546.db2.gz GHJMDSSLCWTWDV-RIYZIHGNSA-N -1 0 407.209 3.554 40 0 HHABRM COc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000020144784 558339905 /nfs/dbraw/zinc/33/99/05/558339905.db2.gz RIBIMCJOAVCIKH-UHFFFAOYSA-N -1 0 408.248 3.952 40 0 HHABRM CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)[O-])c2)c1 ZINC000020152715 558341520 /nfs/dbraw/zinc/34/15/20/558341520.db2.gz FJUMNEVMEZGXBD-UHFFFAOYSA-N -1 0 402.472 3.705 40 0 HHABRM CCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])cc(Cl)c2OC)cc1 ZINC000020152824 558341730 /nfs/dbraw/zinc/34/17/30/558341730.db2.gz DTWIZYULTMTGSC-UHFFFAOYSA-N -1 0 422.890 3.962 40 0 HHABRM O=C(NCCc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000015789615 558753466 /nfs/dbraw/zinc/75/34/66/558753466.db2.gz IFYAYNZUHXKQLY-UHFFFAOYSA-N -1 0 404.488 3.661 40 0 HHABRM COc1ccc(Cc2nnc(Nc3ccc(Br)cc3)[n-]c2=O)cc1OC ZINC000016958299 558810258 /nfs/dbraw/zinc/81/02/58/558810258.db2.gz XMCQSTRQUCXCTB-UHFFFAOYSA-N -1 0 417.263 3.691 40 0 HHABRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000055558386 558882531 /nfs/dbraw/zinc/88/25/31/558882531.db2.gz CEOYARVTHVGCHM-UHFFFAOYSA-N -1 0 410.495 3.958 40 0 HHABRM CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](C(=O)[O-])C(C)C ZINC000067665438 558990897 /nfs/dbraw/zinc/99/08/97/558990897.db2.gz OKAQHVJSXLGXET-OAQYLSRUSA-N -1 0 421.501 3.772 40 0 in-vitro HHABRM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000096503903 559110697 /nfs/dbraw/zinc/11/06/97/559110697.db2.gz CINXVFCWILOJSI-UHFFFAOYSA-N -1 0 401.875 3.717 40 0 HHABRM Cc1cc(C)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000113881259 559181896 /nfs/dbraw/zinc/18/18/96/559181896.db2.gz ISPOJSSKWYSRNN-UHFFFAOYSA-N -1 0 412.305 3.654 40 0 HHABRM O=S(=O)(NCCSCc1ccccc1F)c1ccc(Br)s1 ZINC000007688889 559256133 /nfs/dbraw/zinc/25/61/33/559256133.db2.gz QZYBKFMYKNGGSU-UHFFFAOYSA-N -1 0 410.355 3.861 40 0 HHABRM COc1ccc2[nH]c(C[C@H]3CN(C(=O)Nc4ccccc4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288607 560034693 /nfs/dbraw/zinc/03/46/93/560034693.db2.gz JBMNMOLXHLJQAT-HOTGVXAUSA-N -1 0 422.485 3.759 40 0 biogenic,in-vitro HHABRM CC1=C[C@@H](CNC(=O)CCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C ZINC000072320931 560077135 /nfs/dbraw/zinc/07/71/35/560077135.db2.gz XXFDQBUGIIUMOS-FHWLQOOXSA-N -1 0 411.546 3.951 40 0 biogenic,in-vitro HHABRM CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000408819759 560645372 /nfs/dbraw/zinc/64/53/72/560645372.db2.gz RSPIFEUOQKOEDZ-MRXNPFEDSA-N -1 0 420.874 3.654 40 0 HHABRM O=C1OC(c2ccco2)=N/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000408844803 560646318 /nfs/dbraw/zinc/64/63/18/560646318.db2.gz PKNCLSPVWBSGAY-BJMVGYQFSA-N -1 0 413.021 3.855 40 0 HHABRM O=c1/c(=C\c2cc(Br)cc(Cl)c2[O-])sc2nc3ccccc3n12 ZINC000408901700 560651510 /nfs/dbraw/zinc/65/15/10/560651510.db2.gz AJUJNMIHZJKFPY-AWNIVKPZSA-N -1 0 407.676 3.578 40 0 HHABRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000408908968 560652792 /nfs/dbraw/zinc/65/27/92/560652792.db2.gz ZNQIMALNTTXFFF-UHFFFAOYSA-N -1 0 410.495 3.986 40 0 HHABRM CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O ZINC000409017720 560665921 /nfs/dbraw/zinc/66/59/21/560665921.db2.gz VRFKQFKUBPARER-MRACZJACSA-N -1 0 414.277 3.747 40 0 HHABRM CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O ZINC000409017724 560665950 /nfs/dbraw/zinc/66/59/50/560665950.db2.gz VRFKQFKUBPARER-PBJWJZLWSA-N -1 0 414.277 3.747 40 0 HHABRM CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000409061777 560671757 /nfs/dbraw/zinc/67/17/57/560671757.db2.gz HVRTXXCIWXMDEY-JYRVWZFOSA-N -1 0 414.277 3.749 40 0 HHABRM CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409189212 560688906 /nfs/dbraw/zinc/68/89/06/560688906.db2.gz MUHQJHHMCBIQOQ-OVCLIPMQSA-N -1 0 421.236 3.793 40 0 HHABRM CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409255718 560703238 /nfs/dbraw/zinc/70/32/38/560703238.db2.gz ZMBDOCPYVTWWLG-LDADJPATSA-N -1 0 424.453 3.665 40 0 HHABRM CCCc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000101984054 560730322 /nfs/dbraw/zinc/73/03/22/560730322.db2.gz DZAVOEBCILXHDO-OAHLLOKOSA-N -1 0 421.501 3.582 40 0 HHABRM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nc(C)cc(C)n2)cc3=O)cc1 ZINC000010338955 560768284 /nfs/dbraw/zinc/76/82/84/560768284.db2.gz MJZWKDZVPVVXSU-UHFFFAOYSA-N -1 0 407.499 3.706 40 0 HHABRM O=C([O-])Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000010475558 560769571 /nfs/dbraw/zinc/76/95/71/560769571.db2.gz LEKHRTQNGBNPFB-UHFFFAOYSA-N -1 0 403.847 3.748 40 0 HHABRM COc1cc(Br)cc([C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])c1OC ZINC000039957106 560822218 /nfs/dbraw/zinc/82/22/18/560822218.db2.gz JLZVGJXDYAWQPA-OAHLLOKOSA-N -1 0 424.247 3.518 40 0 HHABRM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c1 ZINC000014155589 560840167 /nfs/dbraw/zinc/84/01/67/560840167.db2.gz ZDUSHKSSUYZNIY-KRWDZBQOSA-N -1 0 422.934 3.666 40 0 HHABRM CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1cccc(C)c1 ZINC000017088991 560863871 /nfs/dbraw/zinc/86/38/71/560863871.db2.gz GMNRDMWQYMBEGD-UHFFFAOYSA-N -1 0 411.556 3.700 40 0 HHABRM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1Cl ZINC000017089695 560864414 /nfs/dbraw/zinc/86/44/14/560864414.db2.gz RRXOTMMXSRAREY-UHFFFAOYSA-N -1 0 413.680 3.928 40 0 HHABRM O=C([O-])c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NCc1ccco1 ZINC000217586949 568472934 /nfs/dbraw/zinc/47/29/34/568472934.db2.gz KAANNNOOSUEAIB-UHFFFAOYSA-N -1 0 404.488 3.759 40 0 HHABRM C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)[O-])cc4)c3)C(=O)[C@@H]2C1 ZINC000023379395 568509784 /nfs/dbraw/zinc/50/97/84/568509784.db2.gz IJBFMVNASOWCFB-UPRAQXHNSA-N -1 0 406.438 3.563 40 0 HHABRM COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000223027376 568534765 /nfs/dbraw/zinc/53/47/65/568534765.db2.gz ORNASVSFZLBMAX-VQTJNVASSA-N -1 0 423.494 3.659 40 0 HHABRM COc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1C ZINC000223126242 568538549 /nfs/dbraw/zinc/53/85/49/568538549.db2.gz HCEGPYVEGDKOSY-UHFFFAOYSA-N -1 0 407.542 3.948 40 0 HHABRM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000223648701 568554955 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559125195 /nfs/dbraw/zinc/12/51/95/559125195.db2.gz MNCJGLFZJRNJJR-GFOMBABLSA-N -1 0 423.546 3.794 40 0 HHABRM COCc1[n-]n2c(nc([C@@H]3CC(=O)N(CC(C)C)C3)cc2=O)c1-c1ccc(C)cc1 ZINC000100733030 559138748 /nfs/dbraw/zinc/13/87/48/559138748.db2.gz FIVZDBMEQLUNOE-QGZVFWFLSA-N -1 0 408.502 3.529 40 0 HHABRM Cc1ccc(CC(=O)N[C@H](c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)C(C)C)cc1 ZINC000100769436 559140191 /nfs/dbraw/zinc/14/01/91/559140191.db2.gz NRMLYIWHDZHKGG-DEOSSOPVSA-N -1 0 422.529 3.693 40 0 HHABRM CCOc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113887229 559182022 /nfs/dbraw/zinc/18/20/22/559182022.db2.gz SZPFXXBXFPHMIL-UHFFFAOYSA-N -1 0 404.271 3.672 40 0 HHABRM Cc1c(Cl)cccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000113896464 559182100 /nfs/dbraw/zinc/18/21/00/559182100.db2.gz VHQSTLYNRSFONY-UHFFFAOYSA-N -1 0 418.696 3.691 40 0 HHABRM Cc1ncc2c(c1O)[C@H](c1c(=O)n(-c3ccc(F)cc3)[n-]c1-c1ccccc1)OC2 ZINC000006674469 560632936 /nfs/dbraw/zinc/63/29/36/560632936.db2.gz HLJSYTVCMOPSOZ-SIKLNZKXSA-N 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ZINC000009694954 560760207 /nfs/dbraw/zinc/76/02/07/560760207.db2.gz TUMDDQRDYROYNQ-UHFFFAOYSA-N -1 0 404.875 3.805 40 0 HHABRM COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)ccc1OCC(=O)[O-] ZINC000170612446 560767873 /nfs/dbraw/zinc/76/78/73/560767873.db2.gz QPWLFORJVUFMQF-CGDUCALUSA-N -1 0 419.524 3.561 40 0 HHABRM CCc1[n-]n2c(nc(CSc3nnc(N)s3)cc2=O)c1-c1cccc(Cl)c1 ZINC000010338940 560768294 /nfs/dbraw/zinc/76/82/94/560768294.db2.gz UHBIJTMXURSNAO-UHFFFAOYSA-N -1 0 418.935 3.631 40 0 HHABRM O=S(=O)([N-]c1cccc2ccccc21)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585702 560817089 /nfs/dbraw/zinc/81/70/89/560817089.db2.gz MEIXUWKHIPRUTL-UHFFFAOYSA-N -1 0 412.492 3.679 40 0 HHABRM COc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)c(OC)c1 ZINC000013996893 560831906 /nfs/dbraw/zinc/83/19/06/560831906.db2.gz RRCRTXTYCPAQCN-UHFFFAOYSA-N -1 0 418.496 3.818 40 0 HHABRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)sc2C)cc1 ZINC000013996561 560831953 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0 417.350 3.697 40 0 HHABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)cc1C(C)=O ZINC000223258036 568542835 /nfs/dbraw/zinc/54/28/35/568542835.db2.gz DQLRIOAASIOLHJ-UHFFFAOYSA-N -1 0 413.879 3.759 40 0 HHABRM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000223292714 568544221 /nfs/dbraw/zinc/54/42/21/568544221.db2.gz CATZQUQWBVKIOQ-RUDMXATFSA-N -1 0 418.824 3.919 40 0 HHABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)c1 ZINC000223677191 568555836 /nfs/dbraw/zinc/55/58/36/568555836.db2.gz DITCGVMCLDDJQU-UHFFFAOYSA-N -1 0 418.515 3.521 40 0 HHABRM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1OC)CCCC2 ZINC000224094731 568569545 /nfs/dbraw/zinc/56/95/45/568569545.db2.gz FUSXRFSQEBDSPA-HNNXBMFYSA-N -1 0 416.543 3.903 40 0 HHABRM CCCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)s1 ZINC000224335314 568578347 /nfs/dbraw/zinc/57/83/47/568578347.db2.gz YNLDWYVJBGFSPG-UHFFFAOYSA-N -1 0 424.367 3.612 40 0 HHABRM CCCSc1nnc([N-]S(=O)(=O)Cc2ccc(Br)cc2)s1 ZINC000224603843 568587657 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CN([C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000260680848 568725801 /nfs/dbraw/zinc/72/58/01/568725801.db2.gz VQXYAOFJQUFFDD-OAHLLOKOSA-N -1 0 422.717 3.963 40 0 HHABRM O=C([O-])c1cnc(NCCOc2cccc(F)c2)nc1COc1ccc(F)cc1 ZINC000257228255 568784344 /nfs/dbraw/zinc/78/43/44/568784344.db2.gz FTCYSOWTJIBZIR-UHFFFAOYSA-N -1 0 401.369 3.523 40 0 HHABRM Cc1cc(C)n(-c2cccc(C(=O)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)n1 ZINC000257239549 568787358 /nfs/dbraw/zinc/78/73/58/568787358.db2.gz HPVCKWUVYWDGGE-UHFFFAOYSA-N -1 0 423.416 3.627 40 0 HHABRM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(N2CCCCC2)c1 ZINC000257244997 568788943 /nfs/dbraw/zinc/78/89/43/568788943.db2.gz INRPDLWMGGBCKG-UHFFFAOYSA-N -1 0 412.433 3.814 40 0 HHABRM Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)CCCC(=O)[O-])CC[C@H]3O[C@@H]21 ZINC000257259245 568792711 /nfs/dbraw/zinc/79/27/11/568792711.db2.gz KXMIJAILCOPUFE-BREDGVMVSA-N -1 0 401.503 3.716 40 0 HHABRM CC[C@H](O)Cn1nc(-c2cc(CC(=O)[O-])ccc2OC)cc1-c1ccccc1OC ZINC000257264191 568794042 /nfs/dbraw/zinc/79/40/42/568794042.db2.gz LTHHCFZUVLEBPB-INIZCTEOSA-N -1 0 410.470 3.632 40 0 HHABRM CC1(C)Oc2ccc(O)cc2[C@H]2O[C@H]3CCN(C(=O)c4ccccc4C(=O)[O-])[C@@H]3C[C@@H]21 ZINC000257278131 568798029 /nfs/dbraw/zinc/79/80/29/568798029.db2.gz OAYBVIVTUNKGBD-IZZBFERCSA-N -1 0 423.465 3.622 40 0 HHABRM O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(Br)c1[O-] ZINC000257289017 568801186 /nfs/dbraw/zinc/80/11/86/568801186.db2.gz PWQSATOINYZQQX-ZHALLVOQSA-N -1 0 420.303 3.636 40 0 HHABRM Cc1ccccc1OCCN(C)c1ncc(C(=O)[O-])c(COc2ccc(F)cc2)n1 ZINC000257310700 568807588 /nfs/dbraw/zinc/80/75/88/568807588.db2.gz UGDRRKSXUOVKNE-UHFFFAOYSA-N -1 0 411.433 3.717 40 0 HHABRM COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(=O)[O-] ZINC000226857008 568824823 /nfs/dbraw/zinc/82/48/23/568824823.db2.gz GRNSOWQLHLSCJR-UHFFFAOYSA-N -1 0 411.479 3.785 40 0 HHABRM CCn1nc(C)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)c1C ZINC000002778647 568932008 /nfs/dbraw/zinc/93/20/08/568932008.db2.gz UENHCURCURGIPD-UHFFFAOYSA-N -1 0 413.547 3.643 40 0 HHABRM CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(COC)C(=O)[O-])cc1 ZINC000218592846 568939025 /nfs/dbraw/zinc/93/90/25/568939025.db2.gz MHXDKUISFDSFLG-GGPKGHCWSA-N -1 0 408.903 3.560 40 0 HHABRM Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)cc1C(F)(F)F ZINC000329070038 568975764 /nfs/dbraw/zinc/97/57/64/568975764.db2.gz ZDJQKNOAAHDJKL-UHFFFAOYSA-N -1 0 402.376 3.555 40 0 HHABRM Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Br)cc1C ZINC000085342785 569271151 /nfs/dbraw/zinc/27/11/51/569271151.db2.gz CRLKATXDKPVTCG-UHFFFAOYSA-N -1 0 407.289 3.891 40 0 HHABRM CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017091509 569274750 /nfs/dbraw/zinc/27/47/50/569274750.db2.gz OCFLZJXDSMDXAV-QEJZJMRPSA-N -1 0 418.559 3.985 40 0 HHABRM COc1cc(C(=O)[O-])cc(I)c1OCc1cccc(F)c1 ZINC000007603977 569337810 /nfs/dbraw/zinc/33/78/10/569337810.db2.gz SJQLSWFHYIRICK-UHFFFAOYSA-N -1 0 402.159 3.716 40 0 HHABRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000008477310 569341535 /nfs/dbraw/zinc/34/15/35/569341535.db2.gz FEVRRIVHDIPTJE-QGOAFFKASA-N -1 0 408.429 3.809 40 0 HHABRM Cc1cccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1 ZINC000008477316 569341551 /nfs/dbraw/zinc/34/15/51/569341551.db2.gz ZNMHVPFBNQAOBX-XSFVSMFZSA-N -1 0 404.466 3.978 40 0 HHABRM CCN(Cc1ccccc1)c1nn(-c2ccc(Br)cc2)nc1C(=O)[O-] ZINC000256046626 569396850 /nfs/dbraw/zinc/39/68/50/569396850.db2.gz HDYDNTSWJGRNTF-UHFFFAOYSA-N -1 0 401.264 3.755 40 0 HHABRM Cc1cnc([N-]S(=O)(=O)c2cc(Br)ccc2Br)s1 ZINC000028224720 965060613 /nfs/dbraw/zinc/06/06/13/965060613.db2.gz TVLDDBSNVQYOMX-UHFFFAOYSA-N -1 0 412.128 3.777 40 0 HHABRM CC(C)(C)C(=O)NC(=S)Nc1cc(Br)c([O-])c(Br)c1 ZINC000032116638 518572653 /nfs/dbraw/zinc/57/26/53/518572653.db2.gz KPFOPKCLGBCSQL-UHFFFAOYSA-N -1 0 410.131 3.776 40 0 HHABRM O=C(COc1ccccc1)Nc1cc(Br)c([O-])c(Br)c1 ZINC000032116500 526985263 /nfs/dbraw/zinc/98/52/63/526985263.db2.gz ZMWKRSBVXCZHMB-UHFFFAOYSA-N -1 0 401.054 3.935 40 0 HHABRM O=C([O-])C1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCCC1 ZINC000073633194 527559351 /nfs/dbraw/zinc/55/93/51/527559351.db2.gz XJTIBCMYGDZPJY-UHFFFAOYSA-N -1 0 424.316 3.792 40 0 HHABRM O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccco2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000035053062 557279710 /nfs/dbraw/zinc/27/97/10/557279710.db2.gz VLJQADBFDVUVNF-XUJVJEKNSA-N -1 0 405.428 3.771 40 0 HHABRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Cl)cc1Cl ZINC000001786728 557287825 /nfs/dbraw/zinc/28/78/25/557287825.db2.gz WXUJDJWTFDGTTE-MRXNPFEDSA-N -1 0 407.253 3.666 40 0 HHABRM CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000002729875 557371396 /nfs/dbraw/zinc/37/13/96/557371396.db2.gz WTPYPQGTVZUDJC-OAHLLOKOSA-N -1 0 423.252 3.620 40 0 HHABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)c1 ZINC000408546309 557383989 /nfs/dbraw/zinc/38/39/89/557383989.db2.gz DSDJUXWFHVEAKQ-UHFFFAOYSA-N -1 0 404.875 3.972 40 0 HHABRM Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000408594608 557512267 /nfs/dbraw/zinc/51/22/67/557512267.db2.gz UHNRECIKUYXAAP-UDWIEESQSA-N -1 0 416.433 3.705 40 0 HHABRM CCc1nc(SC(=Cc2cc(Br)c(Br)o2)C(=O)[O-])n[nH]1 ZINC000408632594 557582502 /nfs/dbraw/zinc/58/25/02/557582502.db2.gz ROUSBDNERISOFR-DAXSKMNVSA-N -1 0 423.086 3.703 40 0 HHABRM CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000005632980 557665952 /nfs/dbraw/zinc/66/59/52/557665952.db2.gz SWZHUSWDGRDFDQ-VQTJNVASSA-N -1 0 413.518 3.992 40 0 HHABRM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc2s1 ZINC000020029808 558323933 /nfs/dbraw/zinc/32/39/33/558323933.db2.gz XSICARLZUKFYPM-UHFFFAOYSA-N -1 0 407.469 3.506 40 0 HHABRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)ccc1OC ZINC000013679149 558565744 /nfs/dbraw/zinc/56/57/44/558565744.db2.gz UXHHGWCXZNYYHQ-UHFFFAOYSA-N -1 0 422.812 3.528 40 0 HHABRM O=C([O-])CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000038155507 558637295 /nfs/dbraw/zinc/63/72/95/558637295.db2.gz VVUKKRHMBDMVFH-AWNIVKPZSA-N -1 0 408.775 3.629 40 0 HHABRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000026528297 558662356 /nfs/dbraw/zinc/66/23/56/558662356.db2.gz ZDAYGVKTHXZQML-UHFFFAOYSA-N -1 0 409.769 3.826 40 0 HHABRM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c1 ZINC000026533278 558662593 /nfs/dbraw/zinc/66/25/93/558662593.db2.gz HMCKZUARDABKNC-UHFFFAOYSA-N -1 0 420.270 3.598 40 0 HHABRM O=C([O-])c1ccccc1C(=O)Nc1ccc(SCC(=O)Nc2nccs2)cc1 ZINC000017089568 558818151 /nfs/dbraw/zinc/81/81/51/558818151.db2.gz GCTJUTCAIXGPPJ-UHFFFAOYSA-N -1 0 413.480 3.824 40 0 HHABRM COc1ccc(-c2cc(C[C@@]3(C(=O)[O-])CCCN(C(=O)C4CCCC4)C3)on2)cc1 ZINC000072395046 558973772 /nfs/dbraw/zinc/97/37/72/558973772.db2.gz OKQCJHFXOLYXBB-QHCPKHFHSA-N -1 0 412.486 3.776 40 0 HHABRM COc1ccc2c(c1)C1(C[C@H]2CC(=O)[O-])CCN(C(=O)c2scnc2C)CC1 ZINC000096156870 559100784 /nfs/dbraw/zinc/10/07/84/559100784.db2.gz SVKQPPLOOUNGCA-CQSZACIVSA-N -1 0 400.500 3.596 40 0 HHABRM CCn1cc(Cl)c(-c2cc(=O)n3[n-]c(COC)c(-c4ccc(OC)cc4)c3n2)n1 ZINC000100733133 559138745 /nfs/dbraw/zinc/13/87/45/559138745.db2.gz QSRLJTGGVMUTFF-UHFFFAOYSA-N -1 0 413.865 3.794 40 0 HHABRM CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000409018719 560666133 /nfs/dbraw/zinc/66/61/33/560666133.db2.gz YOYIPPDODGEGPV-PBJWJZLWSA-N -1 0 414.277 3.747 40 0 HHABRM CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Br ZINC000409135088 560682273 /nfs/dbraw/zinc/68/22/73/560682273.db2.gz PSCNJBXVISZEEI-MRACZJACSA-N -1 0 414.277 3.747 40 0 HHABRM COC(=O)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010112220 560764020 /nfs/dbraw/zinc/76/40/20/560764020.db2.gz ZVGAKOQPVBZRPZ-UHFFFAOYSA-N -1 0 424.478 3.835 40 0 HHABRM CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004124304 560892983 /nfs/dbraw/zinc/89/29/83/560892983.db2.gz KNOPBCQEJBVYKI-BVIHXZOGSA-N -1 0 403.456 3.870 40 0 HHABRM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000005021125 568431356 /nfs/dbraw/zinc/43/13/56/568431356.db2.gz MXASBNLPNWRENT-XQQFMLRXSA-N -1 0 404.532 3.604 40 0 HHABRM CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)[O-] ZINC000217621311 568473179 /nfs/dbraw/zinc/47/31/79/568473179.db2.gz BPCOYWHDBDSJIK-HNNXBMFYSA-N -1 0 420.531 3.515 40 0 HHABRM CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000409203664 568511492 /nfs/dbraw/zinc/51/14/92/568511492.db2.gz XANLIYFOKGMMNB-GHXNOFRVSA-N -1 0 403.287 3.604 40 0 HHABRM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223662087 568555384 /nfs/dbraw/zinc/55/53/84/568555384.db2.gz HYLKWXPBGJCJQK-UHFFFAOYSA-N -1 0 416.543 3.977 40 0 HHABRM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)c1 ZINC000224343097 568578502 /nfs/dbraw/zinc/57/85/02/568578502.db2.gz ZCAZQFHHMPZZIR-UHFFFAOYSA-N -1 0 416.528 3.825 40 0 HHABRM CCCCc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000224667178 568591532 /nfs/dbraw/zinc/59/15/32/568591532.db2.gz GSMJQQGUZRAVOQ-UHFFFAOYSA-N -1 0 416.528 3.934 40 0 HHABRM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Br)c(Cl)c2)cc1 ZINC000224693370 568592431 /nfs/dbraw/zinc/59/24/31/568592431.db2.gz CRTDDXAKKLPJCW-UHFFFAOYSA-N -1 0 418.696 3.691 40 0 HHABRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000224831150 568599131 /nfs/dbraw/zinc/59/91/31/568599131.db2.gz BQNSQSSBNYHKBA-UHFFFAOYSA-N -1 0 423.903 3.587 40 0 HHABRM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)s2)c1 ZINC000225114480 568615235 /nfs/dbraw/zinc/61/52/35/568615235.db2.gz IJMACGLXCPYRPJ-UHFFFAOYSA-N -1 0 422.919 3.861 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2-c2ccccc2)cc1F ZINC000225115735 568615290 /nfs/dbraw/zinc/61/52/90/568615290.db2.gz ZQSNTVXXIZYZHH-UHFFFAOYSA-N -1 0 415.442 3.781 40 0 HHABRM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C)CCCC2 ZINC000225125983 568615963 /nfs/dbraw/zinc/61/59/63/568615963.db2.gz KFVULJQHTHMIEX-UHFFFAOYSA-N -1 0 409.529 3.840 40 0 HHABRM 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(=O)[C@@]21C ZINC000253609803 568755061 /nfs/dbraw/zinc/75/50/61/568755061.db2.gz MIHNUBCEFJLAGN-UXEJYNNFSA-N -1 0 406.563 3.657 40 0 HHABRM CCCC[C@@H](NC(=O)COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)C(=O)[O-] ZINC000256027777 568774624 /nfs/dbraw/zinc/77/46/24/568774624.db2.gz BCQZRJKDRSIUQE-LJQANCHMSA-N -1 0 409.438 3.598 40 0 HHABRM Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)CCCC(=O)[O-])CC[C@@H]3O[C@H]21 ZINC000257259246 568792710 /nfs/dbraw/zinc/79/27/10/568792710.db2.gz KXMIJAILCOPUFE-VIRVFLBCSA-N -1 0 401.503 3.716 40 0 HHABRM CCCS(=O)(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])c(-c2cccc(Cl)c2)n1 ZINC000257278362 568798220 /nfs/dbraw/zinc/79/82/20/568798220.db2.gz OBYRNJCIEIBNFU-KRWDZBQOSA-N -1 0 408.907 3.977 40 0 HHABRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)ccc1-n1cccc1 ZINC000257305576 568806178 /nfs/dbraw/zinc/80/61/78/568806178.db2.gz SQPOMCWWXKLFCS-UHFFFAOYSA-N -1 0 419.300 3.667 40 0 HHABRM COc1ccc(Nc2ncccc2C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC000257320505 568810406 /nfs/dbraw/zinc/81/04/06/568810406.db2.gz VXDBBNNAERZFPP-UHFFFAOYSA-N -1 0 405.454 3.603 40 0 HHABRM O=C([O-])[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218242833 568928724 /nfs/dbraw/zinc/92/87/24/568928724.db2.gz ATUVSBBERVEMRU-KFWWJZLASA-N -1 0 415.692 3.743 40 0 HHABRM O=C([O-])CNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000329020327 568973072 /nfs/dbraw/zinc/97/30/72/568973072.db2.gz OAWNWYYTKTVUAJ-UHFFFAOYSA-N -1 0 422.794 3.900 40 0 HHABRM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000011847587 569326655 /nfs/dbraw/zinc/32/66/55/569326655.db2.gz WKBREAHLDIKPDY-XUJVJEKNSA-N -1 0 404.797 3.505 40 0 HHABRM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1C ZINC000006026928 569329343 /nfs/dbraw/zinc/32/93/43/569329343.db2.gz LJBCJOZMYYDFEZ-DEDYPNTBSA-N -1 0 417.465 3.912 40 0 HHABRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)o2)cc1 ZINC000006966386 569336571 /nfs/dbraw/zinc/33/65/71/569336571.db2.gz AQJGJCANFHDLID-GZTJUZNOSA-N -1 0 405.435 3.801 40 0 HHABRM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1ccccc1Sc1ccccc1 ZINC000007096171 569336856 /nfs/dbraw/zinc/33/68/56/569336856.db2.gz XBKOHIWZJFZQAV-AQTBWJFISA-N -1 0 401.447 3.899 40 0 HHABRM COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)ccc1F ZINC000007360972 569337294 /nfs/dbraw/zinc/33/72/94/569337294.db2.gz BYTIXIUDCQDOPM-UHFFFAOYSA-N -1 0 406.479 3.698 40 0 HHABRM Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])o1 ZINC000007365680 569337441 /nfs/dbraw/zinc/33/74/41/569337441.db2.gz BABIMVUFRHUAQN-SXGWCWSVSA-N -1 0 400.416 3.912 40 0 HHABRM CCOC(=O)Cn1c(C)c(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])c2ccccc21 ZINC000007365631 569337457 /nfs/dbraw/zinc/33/74/57/569337457.db2.gz MDXWRUILBUPQCG-YBEGLDIGSA-N -1 0 415.471 3.676 40 0 HHABRM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1 ZINC000008477183 569341557 /nfs/dbraw/zinc/34/15/57/569341557.db2.gz ANWGKKRHGCNFTK-FYJGNVAPSA-N -1 0 415.449 3.542 40 0 HHABRM O=C([O-])CCNC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000062715212 569388341 /nfs/dbraw/zinc/38/83/41/569388341.db2.gz AFFQNFSUDHFJOO-RMKNXTFCSA-N -1 0 404.260 3.632 40 0 HHABRM C[C@@H](NC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)[O-] ZINC000062715207 569388369 /nfs/dbraw/zinc/38/83/69/569388369.db2.gz DFEITBXWDOMQEK-UTSBKAFOSA-N -1 0 404.260 3.631 40 0 HHABRM CC(C)(C)OC(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)[O-] ZINC000071606117 571304214 /nfs/dbraw/zinc/30/42/14/571304214.db2.gz FATGZMFSCKUQGO-OAHLLOKOSA-N -1 0 404.463 3.945 40 0 HHABRM CCc1nnc([N-]c2cc([C@@H]3CCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)s1 ZINC000585292727 571310022 /nfs/dbraw/zinc/31/00/22/571310022.db2.gz RWWSUYZXVAQJGB-DXRVJIQQSA-N -1 0 420.542 4.319 40 0 HHABRM Cc1nn(-c2ccc(Cl)cc2C)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCC(=O)[O-])C1 ZINC000008636126 291256842 /nfs/dbraw/zinc/25/68/42/291256842.db2.gz HTCCGKFZRUGXDH-NVXWUHKLSA-N -1 0 401.894 3.844 40 0 biogenic,in-vitro HHABRM O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CC1=NCCc2cc(F)ccc21 ZINC000049590572 291259450 /nfs/dbraw/zinc/25/94/50/291259450.db2.gz IBKLYEBFFBAJSE-HKUYNNGSSA-N -1 0 408.473 3.814 40 0 biogenic,in-vitro HHABRM COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000008703676 132332282 /nfs/dbraw/zinc/33/22/82/132332282.db2.gz PFYVVFZODKUGNY-QFIPXVFZSA-N -1 0 404.422 3.930 40 0 HHABRM Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000032508838 526282463 /nfs/dbraw/zinc/28/24/63/526282463.db2.gz BKNWZDHUOAOUDS-HUUCEWRRSA-N -1 0 407.417 3.644 40 0 HHABRM O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)OCc1ccccc1 ZINC000044909881 526304881 /nfs/dbraw/zinc/30/48/81/526304881.db2.gz AEZOBAUIBGSWQP-KRWDZBQOSA-N -1 0 417.259 3.853 40 0 HHABRM COc1ccc(-c2c(C)c(C)[nH]c(=O)c2C(=O)[O-])c(OCc2ccccc2)c1OC ZINC000001725043 557283045 /nfs/dbraw/zinc/28/30/45/557283045.db2.gz LTWZOGCDNOJOLZ-UHFFFAOYSA-N -1 0 409.438 3.953 40 0 HHABRM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000408561708 557460213 /nfs/dbraw/zinc/46/02/13/557460213.db2.gz KKFIWAJLTYZBHL-UHFFFAOYSA-N -1 0 411.845 3.535 40 0 HHABRM O=C([O-])CN1C(=O)N/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000408587717 557491070 /nfs/dbraw/zinc/49/10/70/557491070.db2.gz ADQPXXIPOPJLGJ-YBFXNURJSA-N -1 0 420.396 3.535 40 0 HHABRM Cc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)nc(Cl)c1Cc1ccccc1 ZINC000003848730 557500613 /nfs/dbraw/zinc/50/06/13/557500613.db2.gz SXKMEPSXSDQDOW-UHFFFAOYSA-N -1 0 416.890 3.540 40 0 HHABRM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 ZINC000408621414 557546315 /nfs/dbraw/zinc/54/63/15/557546315.db2.gz MDTGKEBFJFIGNV-UHFFFAOYSA-N -1 0 402.472 3.555 40 0 HHABRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000035897855 557651028 /nfs/dbraw/zinc/65/10/28/557651028.db2.gz LUXNNMIEGIKAMQ-NONVJHHQSA-N -1 0 422.506 3.769 40 0 HHABRM 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COC(=O)C(=C1OC(=O)C(c2ccc(OC(C)=O)cc2)=C1[O-])c1ccc(Cl)cc1 ZINC000104207815 559159042 /nfs/dbraw/zinc/15/90/42/559159042.db2.gz ASRCJQHCHDYBAZ-HTXNQAPBSA-N -1 0 414.797 3.676 40 0 HHABRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C(=O)N1CCCC1 ZINC000113941072 559182416 /nfs/dbraw/zinc/18/24/16/559182416.db2.gz GRTLYTHPNCOJKU-UHFFFAOYSA-N -1 0 418.515 3.519 40 0 HHABRM Cn1c(C[C@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514290428 560029679 /nfs/dbraw/zinc/02/96/79/560029679.db2.gz ZEUIKYDAEOFCIS-IRXDYDNUSA-N -1 0 406.486 3.761 40 0 biogenic,in-vitro HHABRM O=C(CSc1nc2[nH]c(=O)cc([O-])c2s1)Nc1cc(Cl)ccc1Cl ZINC000004945367 560616994 /nfs/dbraw/zinc/61/69/94/560616994.db2.gz RIWUTSGHACLVCD-UHFFFAOYSA-N -1 0 402.284 3.728 40 0 HHABRM Cc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408896217 560650746 /nfs/dbraw/zinc/65/07/46/560650746.db2.gz QMYZDTYKPCMZTL-UHFFFAOYSA-N -1 0 415.902 3.939 40 0 HHABRM COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409239455 560699803 /nfs/dbraw/zinc/69/98/03/560699803.db2.gz NKLVPRIEATUMDO-MFVBVHDHSA-N -1 0 413.451 3.784 40 0 HHABRM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000409329408 560709991 /nfs/dbraw/zinc/70/99/91/560709991.db2.gz FKTVXTMHMKTWEY-UHFFFAOYSA-N -1 0 422.553 3.967 40 0 HHABRM CCCc1[n-]n(-c2nc3ccccc3o2)c(=O)c1[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000101983901 560730268 /nfs/dbraw/zinc/73/02/68/560730268.db2.gz YLUSFTFJWOTXJJ-OAHLLOKOSA-N -1 0 422.485 3.847 40 0 HHABRM Cc1ccccc1OCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000006234613 560740622 /nfs/dbraw/zinc/74/06/22/560740622.db2.gz VIYUNZGACORJPI-UHFFFAOYSA-N -1 0 413.282 3.892 40 0 HHABRM Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000006826059 560747475 /nfs/dbraw/zinc/74/74/75/560747475.db2.gz GTFFUHKDPKLLMS-UHFFFAOYSA-N -1 0 413.282 3.892 40 0 HHABRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)sc2C)c1 ZINC000013996555 560831938 /nfs/dbraw/zinc/83/19/38/560831938.db2.gz 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HHABRM Cc1cccc(CCN(CC(=O)[O-])C(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000257312053 568807970 /nfs/dbraw/zinc/80/79/70/568807970.db2.gz UMGNPYZDKFRKKA-UHFFFAOYSA-N -1 0 419.403 3.519 40 0 HHABRM Cc1ccc(Nc2ncc(C(=O)N(CCc3ccccc3)CC(=O)[O-])c(C)n2)cc1 ZINC000257328214 568812665 /nfs/dbraw/zinc/81/26/65/568812665.db2.gz XERSMYPHRJFAJY-UHFFFAOYSA-N -1 0 404.470 3.607 40 0 HHABRM COC[C@]1(C(=O)[O-])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218571958 568882201 /nfs/dbraw/zinc/88/22/01/568882201.db2.gz CQLKZNPTHAXMKX-RYRKJORJSA-N -1 0 415.294 3.651 40 0 HHABRM CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(COC)C(=O)[O-])cc1 ZINC000218592910 568939027 /nfs/dbraw/zinc/93/90/27/568939027.db2.gz MHXDKUISFDSFLG-NSHGMRRFSA-N -1 0 408.903 3.560 40 0 HHABRM O=C(CCn1ccc2cc(Br)ccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000101568019 569014139 /nfs/dbraw/zinc/01/41/39/569014139.db2.gz SPQRHRDJNDPTTO-OKILXGFUSA-N -1 0 407.308 3.801 40 0 HHABRM Cc1c(Cl)cccc1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1F ZINC000001092999 569023379 /nfs/dbraw/zinc/02/33/79/569023379.db2.gz GGFFKKMHZFUAEI-UHFFFAOYSA-N -1 0 419.865 3.770 40 0 HHABRM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2CO)cc1 ZINC000314821439 569060032 /nfs/dbraw/zinc/06/00/32/569060032.db2.gz QPWIWUYJOODQQH-UHFFFAOYSA-N -1 0 416.065 3.981 40 0 HHABRM Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2Cl)c(=O)[n-]1 ZINC000016777184 569262631 /nfs/dbraw/zinc/26/26/31/569262631.db2.gz CJDFYCIULFXAKG-UHFFFAOYSA-N -1 0 400.891 3.861 40 0 HHABRM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017082905 569273240 /nfs/dbraw/zinc/27/32/40/569273240.db2.gz HHIPYHRVBWDGOQ-YUTCNCBUSA-N -1 0 404.532 3.595 40 0 HHABRM C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)[O-])cc4)c3)C(=O)[C@H]2C1 ZINC000251717041 569317278 /nfs/dbraw/zinc/31/72/78/569317278.db2.gz IJBFMVNASOWCFB-ZNOIYHFQSA-N -1 0 406.438 3.563 40 0 HHABRM C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O ZINC000006184779 569329726 /nfs/dbraw/zinc/32/97/26/569329726.db2.gz BDTJWVOLELIRBM-ZDLGFXPLSA-N -1 0 406.419 3.650 40 0 HHABRM CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccnc2)C1=O ZINC000006345936 569331138 /nfs/dbraw/zinc/33/11/38/569331138.db2.gz MSFSWZFHMOANNY-XDHOZWIPSA-N -1 0 401.422 3.688 40 0 HHABRM COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2C)C(=O)[N-]C1=S ZINC000006969390 569336661 /nfs/dbraw/zinc/33/66/61/569336661.db2.gz QFFYLICEUNKDRY-SAPNQHFASA-N -1 0 417.490 3.626 40 0 HHABRM COc1cccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])c1 ZINC000007342160 569336973 /nfs/dbraw/zinc/33/69/73/569336973.db2.gz HNEDWMQSFWQNMV-IUXPMGMMSA-N -1 0 414.439 3.980 40 0 HHABRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000007468817 569337571 /nfs/dbraw/zinc/33/75/71/569337571.db2.gz SMNAJWRJVZSJBO-KGENOOAVSA-N -1 0 420.513 3.565 40 0 HHABRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000010131057 569343020 /nfs/dbraw/zinc/34/30/20/569343020.db2.gz RSQBMWYIAKCOCT-QGOAFFKASA-N -1 0 422.506 3.654 40 0 HHABRM COc1cc(/C=C/C(=O)NCC(=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000062714818 569388314 /nfs/dbraw/zinc/38/83/14/569388314.db2.gz PPNNXPPMEQJCID-SOFGYWHQSA-N -1 0 410.253 3.795 40 0 HHABRM C[C@H](NC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)[O-] ZINC000062715206 569388353 /nfs/dbraw/zinc/38/83/53/569388353.db2.gz DFEITBXWDOMQEK-RSPDNQDQSA-N -1 0 404.260 3.631 40 0 HHABRM O=C([O-])c1nn(-c2ccc(Br)cc2)nc1N1CC[C@H](c2ccccc2)C1 ZINC000256049316 569396987 /nfs/dbraw/zinc/39/69/87/569396987.db2.gz ZHTUPFQDGOPAHU-AWEZNQCLSA-N -1 0 413.275 3.722 40 0 HHABRM O=C([O-])CNc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329065651 571307927 /nfs/dbraw/zinc/30/79/27/571307927.db2.gz XTGPFKYPCSHZNX-UHFFFAOYSA-N -1 0 422.338 4.421 40 0 HHABRM CCc1nnc([N-]c2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3ccco3)n2)s1 ZINC000585291761 571310081 /nfs/dbraw/zinc/31/00/81/571310081.db2.gz FRSDPYNKYHLEMR-ZNFPLGDCSA-N -1 0 424.530 4.303 40 0 HHABRM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000014224677 962449851 /nfs/dbraw/zinc/44/98/51/962449851.db2.gz CQOBJMHSCBRRKC-UHFFFAOYSA-N -1 0 415.515 3.675 40 0 HHABRM Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCC(=O)[O-])C1 ZINC000008624048 291257746 /nfs/dbraw/zinc/25/77/46/291257746.db2.gz HBLMQBGHLPYHCN-GDBMZVCRSA-N -1 0 421.419 3.901 40 0 biogenic,in-vitro HHABRM CCC(=O)Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000034868732 557028572 /nfs/dbraw/zinc/02/85/72/557028572.db2.gz PTYZYGRKLQDXLI-WJDWOHSUSA-N -1 0 408.410 3.826 40 0 HHABRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC000408590118 557499543 /nfs/dbraw/zinc/49/95/43/557499543.db2.gz JHPIDRQMFHZXSH-UHFFFAOYSA-N -1 0 403.504 3.904 40 0 HHABRM CCc1c(C)sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000035897810 557650695 /nfs/dbraw/zinc/65/06/95/557650695.db2.gz SOKFIIRCISZMOK-GFOFROLCSA-N -1 0 416.543 3.753 40 0 HHABRM Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000035897785 557650777 /nfs/dbraw/zinc/65/07/77/557650777.db2.gz XXEGYENHXBILJS-NONVJHHQSA-N -1 0 416.543 3.889 40 0 HHABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408671850 557663186 /nfs/dbraw/zinc/66/31/86/557663186.db2.gz LQKBIEDRJIYMSB-ROUUACIJSA-N -1 0 406.438 3.625 40 0 HHABRM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000005632948 557665918 /nfs/dbraw/zinc/66/59/18/557665918.db2.gz SWZHUSWDGRDFDQ-PMACEKPBSA-N -1 0 413.518 3.992 40 0 HHABRM Cc1ccc(C(=O)[O-])c(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)c1 ZINC000408673614 557673228 /nfs/dbraw/zinc/67/32/28/557673228.db2.gz UFPZIBLNOBLIEF-LXGCGDOSSA-N -1 0 418.449 3.647 40 0 HHABRM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)sc2c1CCCC2 ZINC000408696283 557710872 /nfs/dbraw/zinc/71/08/72/557710872.db2.gz ZFYDMWCDHZONSC-UHFFFAOYSA-N -1 0 413.492 3.752 40 0 HHABRM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000010053644 557854590 /nfs/dbraw/zinc/85/45/90/557854590.db2.gz LSXXFGAGPYSKQP-UHFFFAOYSA-N -1 0 416.524 3.666 40 0 HHABRM Cc1cc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cc(C(=O)[O-])c1O ZINC000020153743 558341885 /nfs/dbraw/zinc/34/18/85/558341885.db2.gz NOCGUUGUKRYNFA-UHFFFAOYSA-N -1 0 410.904 3.658 40 0 HHABRM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000022535257 558497970 /nfs/dbraw/zinc/49/79/70/558497970.db2.gz ZQRVLWBPVVZREA-UHFFFAOYSA-N -1 0 416.524 3.878 40 0 HHABRM Cc1nc(C)n(CCc2cc(=O)n3[n-]c(C(F)(F)F)c(-c4ccc(C)cc4)c3n2)n1 ZINC000019212054 558848763 /nfs/dbraw/zinc/84/87/63/558848763.db2.gz MRGCYQRRVAUGAF-UHFFFAOYSA-N -1 0 416.407 3.880 40 0 HHABRM O=C([O-])[C@H]1CC(=O)N(c2ccc3nc(Cc4ccc(Br)cc4)oc3c2)C1 ZINC000070461416 558892174 /nfs/dbraw/zinc/89/21/74/558892174.db2.gz MNRCWDUMDXOWAY-LBPRGKRZSA-N -1 0 415.243 3.619 40 0 HHABRM COc1ccccc1-c1ccc(NC(=O)c2sc([N-]S(C)(=O)=O)nc2C)cc1 ZINC000019664517 558955074 /nfs/dbraw/zinc/95/50/74/558955074.db2.gz ZCSUITYANASWLI-UHFFFAOYSA-N -1 0 417.512 3.751 40 0 HHABRM COc1cc(CCC(=O)N(Cc2ccccc2)Cc2ccc(C(=O)[O-])cc2)ccn1 ZINC000585091793 559022943 /nfs/dbraw/zinc/02/29/43/559022943.db2.gz OXBULXOCSOUNJQ-UHFFFAOYSA-N -1 0 404.466 3.950 40 0 HHABRM CCc1ccccc1N1C(=O)C[C@H](c2c(C)[n-]n(-c3nc4ccccc4o3)c2=O)C1=O ZINC000100068969 559129457 /nfs/dbraw/zinc/12/94/57/559129457.db2.gz BBRLCRFXMREQGG-OAHLLOKOSA-N -1 0 416.437 3.637 40 0 HHABRM Cc1[n-]n(-c2nc3ccccc3o2)c(=O)c1[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000100068985 559129485 /nfs/dbraw/zinc/12/94/85/559129485.db2.gz USWAJPRQCTXXAK-INIZCTEOSA-N -1 0 416.437 3.691 40 0 HHABRM Cc1cccc(CC(=O)N[C@H](c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)C(C)C)c1 ZINC000100769440 559140136 /nfs/dbraw/zinc/14/01/36/559140136.db2.gz JSNXKAQDBSOTSF-DEOSSOPVSA-N -1 0 422.529 3.693 40 0 HHABRM COCc1[n-]n2c(nc(CCc3c(C)noc3C)cc2=O)c1-c1ccc(OC)cc1 ZINC000100776484 559140689 /nfs/dbraw/zinc/14/06/89/559140689.db2.gz WSTBQWMBZRKKAF-UHFFFAOYSA-N -1 0 408.458 3.647 40 0 HHABRM CC(=O)N[C@H](c1c(=O)n(-c2ccccc2)[n-]c1C(C)(C)C)C(Cl)(Cl)Cl ZINC000100989698 559142493 /nfs/dbraw/zinc/14/24/93/559142493.db2.gz NBOQKBNWTMRJQQ-TZMCWYRMSA-N -1 0 404.725 3.926 40 0 HHABRM CC(=O)C(=C([O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1csc(N)n1 ZINC000102953217 559153773 /nfs/dbraw/zinc/15/37/73/559153773.db2.gz ALOHHYYQTOUGIM-LLVKDONJSA-N -1 0 406.678 3.566 40 0 HHABRM O=C(Nc1ccccc1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21 ZINC000102983409 559154078 /nfs/dbraw/zinc/15/40/78/559154078.db2.gz DBBVNDGQANXYMF-KNQAVFIVSA-N -1 0 417.392 3.744 40 0 HHABRM Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccccc2)c1 ZINC000044791814 559173386 /nfs/dbraw/zinc/17/33/86/559173386.db2.gz VZRPBBYMFHDNSM-UHFFFAOYSA-N -1 0 424.478 3.527 40 0 HHABRM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c2ccccc12 ZINC000226856239 559274146 /nfs/dbraw/zinc/27/41/46/559274146.db2.gz WWIGRVKLOHKMRW-UHFFFAOYSA-N -1 0 419.842 3.918 40 0 HHABRM Cn1c(C[C@H]2CN(C(=O)c3cccc(F)c3)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514288470 560035081 /nfs/dbraw/zinc/03/50/81/560035081.db2.gz 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3.630 40 0 HHABRM O=C([O-])c1cnc(NCCOc2ccc(F)cc2)nc1COc1ccc(F)cc1 ZINC000257222357 568782800 /nfs/dbraw/zinc/78/28/00/568782800.db2.gz DSZRXVBULJWZKV-UHFFFAOYSA-N -1 0 401.369 3.523 40 0 HHABRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(F)F ZINC000257293026 568802460 /nfs/dbraw/zinc/80/24/60/568802460.db2.gz QNVVUNZLKOAHPT-UHFFFAOYSA-N -1 0 413.442 3.713 40 0 HHABRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000257341162 568816441 /nfs/dbraw/zinc/81/64/41/568816441.db2.gz ZJBQXNLTTUWBDJ-UHFFFAOYSA-N -1 0 423.918 3.918 40 0 HHABRM Cn1ncc(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)c1C(=O)[O-] ZINC000002793184 568932213 /nfs/dbraw/zinc/93/22/13/568932213.db2.gz FSEFKXIREXBSJZ-UHFFFAOYSA-N -1 0 401.778 3.840 40 0 HHABRM COc1ccc(NC(=O)COc2ccc(Br)cc2C(=O)[O-])cc1Cl ZINC000217719653 569281613 /nfs/dbraw/zinc/28/16/13/569281613.db2.gz AUUQIVZSYQWYSS-UHFFFAOYSA-N -1 0 414.639 3.827 40 0 HHABRM Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(O)cc2)c(=O)[n-]1 ZINC000016777438 569262767 /nfs/dbraw/zinc/26/27/67/569262767.db2.gz LPKWBGQMHWSWSS-UHFFFAOYSA-N -1 0 402.863 3.642 40 0 HHABRM Cc1sc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(F)cc1 ZINC000017090614 569274722 /nfs/dbraw/zinc/27/47/22/569274722.db2.gz LCNOIVZFZCBWSU-KNPMLCFXSA-N -1 0 416.474 3.647 40 0 HHABRM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])n1 ZINC000006588260 569333569 /nfs/dbraw/zinc/33/35/69/569333569.db2.gz ZBLPVTSSEUQTQI-YVLHZVERSA-N -1 0 412.427 3.818 40 0 HHABRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000006761218 569334436 /nfs/dbraw/zinc/33/44/36/569334436.db2.gz WPTVZRCZVKOWRU-CPNJWEJPSA-N -1 0 402.406 3.660 40 0 HHABRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(CC)CC)cc1OCC ZINC000007360549 569337187 /nfs/dbraw/zinc/33/71/87/569337187.db2.gz RSMZNNSTKJKBIV-UHFFFAOYSA-N -1 0 420.531 3.767 40 0 HHABRM COc1cc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1OCCC(C)C ZINC000062714874 569388269 /nfs/dbraw/zinc/38/82/69/569388269.db2.gz REEBNSRNVYWFSK-ZAHGZRRWSA-N -1 0 411.498 3.945 40 0 HHABRM O=C([O-])CNc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329047097 571307907 /nfs/dbraw/zinc/30/79/07/571307907.db2.gz UERYZDRPQRCREJ-UHFFFAOYSA-N -1 0 404.257 4.386 40 0 HHABRM COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)CC(C)(C)C)CC[C@H]1CC(=O)[O-] ZINC000049590448 291255339 /nfs/dbraw/zinc/25/53/39/291255339.db2.gz PFGAVINXLCPHQI-WMZOPIPTSA-N -1 0 414.546 3.806 40 0 biogenic,in-vitro HHABRM COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1CC(=O)[O-] ZINC000049590464 291255344 /nfs/dbraw/zinc/25/53/44/291255344.db2.gz KTHACZIFAIXYEI-HKUYNNGSSA-N -1 0 412.530 3.560 40 0 biogenic,in-vitro HHABRM C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000096296947 291256547 /nfs/dbraw/zinc/25/65/47/291256547.db2.gz YNSDIAWLFHNHQN-SNVBAGLBSA-N -1 0 414.801 3.913 40 0 biogenic,in-vitro HHABRM COCCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc2sc(Cl)nc2c1 ZINC000225980446 523263002 /nfs/dbraw/zinc/26/30/02/523263002.db2.gz YXZYFDKAXPPZCP-UHFFFAOYSA-N -1 0 408.863 3.920 40 0 HHABRM O=C([O-])c1cc(NC(=O)c2ccccc2I)ccc1Cl ZINC000020137853 526350963 /nfs/dbraw/zinc/35/09/63/526350963.db2.gz QYJQVARWFYIQNE-UHFFFAOYSA-N -1 0 401.587 3.895 40 0 HHABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c1C ZINC000408546926 557369822 /nfs/dbraw/zinc/36/98/22/557369822.db2.gz HKDZLIRVBUSBCI-MRXNPFEDSA-N -1 0 422.934 3.666 40 0 HHABRM O=C([O-])CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000408589007 557495418 /nfs/dbraw/zinc/49/54/18/557495418.db2.gz COXVTKSRELOPAS-OVCLIPMQSA-N -1 0 421.236 3.550 40 0 HHABRM Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000035898015 557650965 /nfs/dbraw/zinc/65/09/65/557650965.db2.gz HOXIIWMCUSQMAB-FZCLSBEQSA-N -1 0 424.522 3.901 40 0 HHABRM COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1OC ZINC000408673781 557669861 /nfs/dbraw/zinc/66/98/61/557669861.db2.gz VGVWLACNPWGAGZ-UHFFFAOYSA-N -1 0 420.421 3.907 40 0 HHABRM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1NC(=O)CC ZINC000408699529 557712025 /nfs/dbraw/zinc/71/20/25/557712025.db2.gz XOYULJNEMTVPBO-UHFFFAOYSA-N -1 0 412.895 3.897 40 0 HHABRM CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(F)c3)c(C(=O)[O-])s2)CC1 ZINC000016158363 558774056 /nfs/dbraw/zinc/77/40/56/558774056.db2.gz FQBKAXQECWRVCP-UHFFFAOYSA-N -1 0 407.467 3.705 40 0 HHABRM O=C([O-])[C@@H]1CC(=O)N(c2ccc3nc(Cc4ccc(Br)cc4)oc3c2)C1 ZINC000070461415 558892180 /nfs/dbraw/zinc/89/21/80/558892180.db2.gz MNRCWDUMDXOWAY-GFCCVEGCSA-N -1 0 415.243 3.619 40 0 HHABRM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000256430735 558912723 /nfs/dbraw/zinc/91/27/23/558912723.db2.gz MAFJMPFLJJCSTB-UUDDBPBDSA-N -1 0 404.547 3.865 40 0 HHABRM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000256430720 558912743 /nfs/dbraw/zinc/91/27/43/558912743.db2.gz MAFJMPFLJJCSTB-HDTFWHKASA-N -1 0 404.547 3.865 40 0 HHABRM Cc1nc2ncccn2c1C(=O)N(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000585091808 559022934 /nfs/dbraw/zinc/02/29/34/559022934.db2.gz RZBSWZYPYMKWMD-UHFFFAOYSA-N -1 0 400.438 3.579 40 0 HHABRM COCc1[n-]n2c(nc(CCc3cc(OC)no3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000100776320 559140691 /nfs/dbraw/zinc/14/06/91/559140691.db2.gz PMZHUGGMPVCMDG-UHFFFAOYSA-N -1 0 414.849 3.684 40 0 HHABRM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000101983656 559148724 /nfs/dbraw/zinc/14/87/24/559148724.db2.gz USPXKUPUWNRQNS-OAHLLOKOSA-N -1 0 418.478 3.539 40 0 HHABRM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000102637985 559151666 /nfs/dbraw/zinc/15/16/66/559151666.db2.gz LUXNNMIEGIKAMQ-DACLVMHWSA-N -1 0 422.506 3.769 40 0 HHABRM O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000791028 559279527 /nfs/dbraw/zinc/27/95/27/559279527.db2.gz FFZLEHQGKSZKHQ-UHFFFAOYSA-N -1 0 417.874 3.553 40 0 HHABRM Cn1c(C[C@H]2CN(C(=O)NC3CCCCC3)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514290312 560029769 /nfs/dbraw/zinc/02/97/69/560029769.db2.gz XAQYWINYNGXPJV-IRXDYDNUSA-N -1 0 412.534 3.571 40 0 biogenic,in-vitro HHABRM Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1 ZINC000408800005 560642224 /nfs/dbraw/zinc/64/22/24/560642224.db2.gz MQGDEEAIHCOSKH-UHFFFAOYSA-N -1 0 403.867 3.875 40 0 HHABRM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000100763444 560850822 /nfs/dbraw/zinc/85/08/22/560850822.db2.gz CKVHTTDFJBGBCN-HRCADAONSA-N -1 0 415.486 3.520 40 0 HHABRM CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)cc1 ZINC000017321576 560868835 /nfs/dbraw/zinc/86/88/35/560868835.db2.gz MCJPRSNXMACHEE-UHFFFAOYSA-N -1 0 404.532 3.515 40 0 HHABRM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004613972 560898633 /nfs/dbraw/zinc/89/86/33/560898633.db2.gz WXURSZVIEHWLFE-IHRRRGAJSA-N -1 0 418.559 3.994 40 0 HHABRM O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000216480964 568465717 /nfs/dbraw/zinc/46/57/17/568465717.db2.gz FCHBTIAJSXGKOA-UHFFFAOYSA-N -1 0 417.874 3.553 40 0 HHABRM CC(C)OCCCNc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000217612674 568473052 /nfs/dbraw/zinc/47/30/52/568473052.db2.gz ACDUCQDUSASLRP-MRXNPFEDSA-N -1 0 420.531 3.651 40 0 HHABRM CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000409215924 568512987 /nfs/dbraw/zinc/51/29/87/568512987.db2.gz CEVSLVLHDXRPDM-XGICHPGQSA-N -1 0 404.271 3.935 40 0 HHABRM Cc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1C ZINC000223110791 568537847 /nfs/dbraw/zinc/53/78/47/568537847.db2.gz GWEDOQVJQFGAPH-UHFFFAOYSA-N -1 0 402.501 3.516 40 0 HHABRM Cc1cc(C)c([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 ZINC000223244387 568542496 /nfs/dbraw/zinc/54/24/96/568542496.db2.gz FRYGQRVHISWGOE-UHFFFAOYSA-N -1 0 416.528 3.825 40 0 HHABRM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000223330436 568545388 /nfs/dbraw/zinc/54/53/88/568545388.db2.gz AHIAPFLQFXGSJI-UHFFFAOYSA-N -1 0 424.862 3.532 40 0 HHABRM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F)oc(=O)n2C ZINC000223339269 568545714 /nfs/dbraw/zinc/54/57/14/568545714.db2.gz VOVCNXNSIAOVOM-UHFFFAOYSA-N -1 0 420.796 3.913 40 0 HHABRM CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)s1 ZINC000223480679 568550092 /nfs/dbraw/zinc/55/00/92/568550092.db2.gz WHWZOSMSAILLHX-UHFFFAOYSA-N -1 0 400.334 3.766 40 0 HHABRM CCc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)ccc1OC ZINC000223686462 568556173 /nfs/dbraw/zinc/55/61/73/568556173.db2.gz RGFMZPKREGLTFD-UHFFFAOYSA-N -1 0 402.516 3.685 40 0 HHABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCOc2ccccc2C)cc1 ZINC000223934267 568563473 /nfs/dbraw/zinc/56/34/73/568563473.db2.gz YQRROVLXPSFARL-UHFFFAOYSA-N -1 0 424.522 3.913 40 0 HHABRM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000224051979 568567810 /nfs/dbraw/zinc/56/78/10/568567810.db2.gz CMKONOSFXNPJHD-UHFFFAOYSA-N -1 0 407.488 3.723 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2)c(Cl)c1Cl ZINC000224614734 568588234 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3.922 40 0 HHABRM COc1ccc(CN(CC(=O)[O-])C(=O)c2cccnc2Nc2ccc(OC)cc2)cc1 ZINC000257258507 568792457 /nfs/dbraw/zinc/79/24/57/568792457.db2.gz KUHWKTLJXGVISM-UHFFFAOYSA-N -1 0 421.453 3.569 40 0 HHABRM Cc1ccc(Nc2ncc(C(=O)N(CC(=O)[O-])Cc3cccc(F)c3)c(C)n2)cc1 ZINC000257278215 568797909 /nfs/dbraw/zinc/79/79/09/568797909.db2.gz OBHXZXANJJABRA-UHFFFAOYSA-N -1 0 408.433 3.703 40 0 HHABRM COc1cc(CC(=O)N(C)CC(=O)[O-])cc2c1O[C@@H](c1ccc(Cl)cc1)[C@H](C)C2 ZINC000257308996 568807151 /nfs/dbraw/zinc/80/71/51/568807151.db2.gz TZBZYPSWZWVMHS-LRTDBIEQSA-N -1 0 417.889 3.746 40 0 HHABRM CCc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(Br)cc3)cc2c1C ZINC000257344010 568817152 /nfs/dbraw/zinc/81/71/52/568817152.db2.gz ZVKMNKURMYMZGG-UHFFFAOYSA-N -1 0 421.316 3.920 40 0 HHABRM COC[C@@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218572172 568882178 /nfs/dbraw/zinc/88/21/78/568882178.db2.gz CQLKZNPTHAXMKX-XYJFISCASA-N -1 0 415.294 3.651 40 0 HHABRM 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HHABRM O=S(=O)(Cc1c(F)cccc1Cl)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223632196 568554106 /nfs/dbraw/zinc/55/41/06/568554106.db2.gz HNLUNQVJYBXKFT-UHFFFAOYSA-N -1 0 416.261 3.802 40 0 HHABRM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000223639154 568554454 /nfs/dbraw/zinc/55/44/54/568554454.db2.gz OTBHZFSUWOAYFR-UHFFFAOYSA-N -1 0 420.270 3.598 40 0 HHABRM CCc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)ccc1OC ZINC000223682221 568556127 /nfs/dbraw/zinc/55/61/27/568556127.db2.gz OEELRDVSOYOSKQ-UHFFFAOYSA-N -1 0 424.522 3.988 40 0 HHABRM CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)s1 ZINC000224310200 568577456 /nfs/dbraw/zinc/57/74/56/568577456.db2.gz UKJFOXJLYPQSBJ-UHFFFAOYSA-N -1 0 418.500 3.726 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)cc2C)c(Cl)c1Cl ZINC000224611514 568587997 /nfs/dbraw/zinc/58/79/97/568587997.db2.gz LOBHQOJTTPLDRZ-UHFFFAOYSA-N -1 0 418.298 3.899 40 0 HHABRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2c(C)cccc2C)c(Cl)c1Cl ZINC000224612323 568588041 /nfs/dbraw/zinc/58/80/41/568588041.db2.gz KJRRNEVPEQBOJA-UHFFFAOYSA-N -1 0 418.298 3.899 40 0 HHABRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)cc1 ZINC000224756112 568595538 /nfs/dbraw/zinc/59/55/38/568595538.db2.gz JNBTWWWCTJZTJA-UHFFFAOYSA-N -1 0 402.501 3.516 40 0 HHABRM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3Cl)s2)c1 ZINC000225047907 568611047 /nfs/dbraw/zinc/61/10/47/568611047.db2.gz GEPGALSXUKYQGG-UHFFFAOYSA-N -1 0 408.892 3.553 40 0 HHABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C)CCCC2 ZINC000225789693 568674937 /nfs/dbraw/zinc/67/49/37/568674937.db2.gz ILYONFCCLPQONH-UHFFFAOYSA-N -1 0 416.543 3.903 40 0 HHABRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3c(C)cc(OC)cc3C)s2)cc1 ZINC000225886635 568683324 /nfs/dbraw/zinc/68/33/24/568683324.db2.gz NQIDCDYTLRHEAA-UHFFFAOYSA-N -1 0 405.501 3.640 40 0 HHABRM CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000225968440 568689336 /nfs/dbraw/zinc/68/93/36/568689336.db2.gz BODZSCOIFSFMLB-UHFFFAOYSA-N -1 0 402.756 3.832 40 0 HHABRM Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000260677683 568725566 /nfs/dbraw/zinc/72/55/66/568725566.db2.gz KKIVIVMLZOPWSJ-MRXNPFEDSA-N -1 0 402.299 3.618 40 0 HHABRM Cc1ccc(S(=O)(=O)N(C)[C@H](Cc2cccc(Cl)c2Cl)C(=O)[O-])cc1 ZINC000260680901 568726137 /nfs/dbraw/zinc/72/61/37/568726137.db2.gz XLJYZSAFXRAQPZ-OAHLLOKOSA-N -1 0 402.299 3.618 40 0 HHABRM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2Br)cc1 ZINC000000916989 568750565 /nfs/dbraw/zinc/75/05/65/568750565.db2.gz NPSCVBFPJKQFRZ-UHFFFAOYSA-N -1 0 420.288 3.882 40 0 HHABRM CCn1c(C)nc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(OC(C)C)cc3)ccc21 ZINC000257201322 568776428 /nfs/dbraw/zinc/77/64/28/568776428.db2.gz AHDTZJVJRAFVOR-UHFFFAOYSA-N -1 0 409.486 3.879 40 0 HHABRM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)c4ccc(C(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000257277760 568797832 /nfs/dbraw/zinc/79/78/32/568797832.db2.gz NZGDVWFYBAQCBX-QGZVKYPTSA-N -1 0 423.465 3.622 40 0 HHABRM CCCS(=O)(=O)N1CCC[C@@H]1c1nc(CCCc2ccccc2)c(C(=O)[O-])s1 ZINC000257327960 568812635 /nfs/dbraw/zinc/81/26/35/568812635.db2.gz XDNMUCWLUVLBHB-QGZVFWFLSA-N -1 0 422.572 3.893 40 0 HHABRM Cc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)[nH]c(=O)n1 ZINC000257338821 568815557 /nfs/dbraw/zinc/81/55/57/568815557.db2.gz YZBPYVXROXXTBV-HNNXBMFYSA-N -1 0 412.877 3.743 40 0 HHABRM FC(F)(F)c1ccn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)n1 ZINC000002731133 568931619 /nfs/dbraw/zinc/93/16/19/568931619.db2.gz UXTLKQYPABJQSB-UHFFFAOYSA-N -1 0 405.409 3.790 40 0 HHABRM O=C([O-])c1cn(-c2ccc(N3CCCC3)c(F)c2)c2c(F)c(F)c(F)cc2c1=O ZINC000004622729 568934220 /nfs/dbraw/zinc/93/42/20/568934220.db2.gz HXOKIQCTQSFSFF-UHFFFAOYSA-N -1 0 406.335 3.846 40 0 HHABRM O=C([O-])CNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328981995 568971143 /nfs/dbraw/zinc/97/11/43/568971143.db2.gz GXLGSDZAJRKTFD-UHFFFAOYSA-N -1 0 420.416 3.839 40 0 HHABRM CCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Br)c1 ZINC000085342865 569271147 /nfs/dbraw/zinc/27/11/47/569271147.db2.gz LIWLQNSPKQEPPI-UHFFFAOYSA-N -1 0 423.288 3.673 40 0 HHABRM CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000017091533 569274741 /nfs/dbraw/zinc/27/47/41/569274741.db2.gz VLLUAGVDCRMXJZ-JIMPKYJGSA-N -1 0 418.559 3.828 40 0 HHABRM CCc1nc(SC(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])n[nH]1 ZINC000007342616 569337147 /nfs/dbraw/zinc/33/71/47/569337147.db2.gz UHUVXVCPZBTGJC-CAOOACKPSA-N -1 0 412.471 3.721 40 0 HHABRM O=C([O-])c1ccc(NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000008470167 569341132 /nfs/dbraw/zinc/34/11/32/569341132.db2.gz ZTVACEDNKMMRIY-UHFFFAOYSA-N -1 0 405.366 3.798 40 0 HHABRM CCc1ccc(N2C(=O)C(=Cc3ccccc3N3CCOCC3)C(=O)[N-]C2=S)cc1 ZINC000033423471 569350516 /nfs/dbraw/zinc/35/05/16/569350516.db2.gz STRRFGYBHVZQOJ-CYVLTUHYSA-N -1 0 421.522 3.757 40 0 HHABRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(C)=O ZINC000033620434 569350771 /nfs/dbraw/zinc/35/07/71/569350771.db2.gz RTAFDJLIRCWRKU-BOPFTXTBSA-N -1 0 408.410 3.826 40 0 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