smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2nc(N3CCOCC3)[n-]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000040386867 527200825 /nfs/dbraw/zinc/20/08/25/527200825.db2.gz XVHXBQPNNBIAIA-UHFFFAOYSA-N -1 1 424.313 3.702 40 0 HHABMM Cc1nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c2c(=S)n1-c1ccccc1 ZINC000040386889 527200893 /nfs/dbraw/zinc/20/08/93/527200893.db2.gz OONBJCIVDGAZGT-UHFFFAOYSA-N -1 1 401.495 3.709 40 0 HHABMM Cc1nc2nc(N3CCOCC3)[n-]c(=O)c2c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000040386865 527201709 /nfs/dbraw/zinc/20/17/09/527201709.db2.gz TXWJNTRIHOGMFO-UHFFFAOYSA-N -1 1 424.313 3.702 40 0 HHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1OC ZINC000010008880 557853278 /nfs/dbraw/zinc/85/32/78/557853278.db2.gz LURJXEIVKGNSRV-UHFFFAOYSA-N -1 1 403.287 3.553 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1 ZINC000020039198 558325608 /nfs/dbraw/zinc/32/56/08/558325608.db2.gz NTXWFAORLNYPIR-UHFFFAOYSA-N -1 1 404.875 3.972 40 0 HHABMM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000022523385 558495194 /nfs/dbraw/zinc/49/51/94/558495194.db2.gz QZWHKNKJDLNIFY-INIZCTEOSA-N -1 1 410.495 3.987 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000015420477 558739508 /nfs/dbraw/zinc/73/95/08/558739508.db2.gz YDGZGVAHRLKZGI-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000015420411 558739562 /nfs/dbraw/zinc/73/95/62/558739562.db2.gz ZPUKQRQBUJGOKX-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1cc(C(=O)NCc2ccco2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000055631106 558883816 /nfs/dbraw/zinc/88/38/16/558883816.db2.gz HCNJNWLQSIDEMN-UHFFFAOYSA-N -1 1 404.875 3.972 40 0 HHABMM COc1cccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c1OC ZINC000019567873 558926944 /nfs/dbraw/zinc/92/69/44/558926944.db2.gz PTXBLHZMOWKPON-IBGZPJMESA-N -1 1 406.486 3.989 40 0 HHABMM COc1cc([C@H](c2c([O-])c3ccccc3oc2=O)N2CCCC2)cc(OC)c1OC ZINC000104241882 559159410 /nfs/dbraw/zinc/15/94/10/559159410.db2.gz XQYQKPOXYGXFIH-HXUWFJFHSA-N -1 1 411.454 3.710 40 0 HHABMM Cc1nnc2ccc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCCC5)cc3)nn12 ZINC000005150864 559253723 /nfs/dbraw/zinc/25/37/23/559253723.db2.gz NCJDZOSOMCDRML-UHFFFAOYSA-N -1 1 419.510 3.779 40 0 HHABMM O=C([O-])C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289401 560032748 /nfs/dbraw/zinc/03/27/48/560032748.db2.gz SDJCBWBHYHJOKV-GJZGRUSLSA-N -1 1 416.497 3.700 40 0 biogenic,in-vitro HHABMM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O)Nc1ccc(F)cc1 ZINC000408868767 560648779 /nfs/dbraw/zinc/64/87/79/560648779.db2.gz BFJWFUYYLFNSCW-NVNXTCNLSA-N -1 1 406.822 3.860 40 0 HHABMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)N1 ZINC000408917004 560653441 /nfs/dbraw/zinc/65/34/41/560653441.db2.gz KPJYKIJTLLPELD-RIYZIHGNSA-N -1 1 407.651 3.862 40 0 HHABMM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000409117233 560679084 /nfs/dbraw/zinc/67/90/84/560679084.db2.gz NVXSKWHJNLCBRL-UHFFFAOYSA-N -1 1 404.271 3.736 40 0 HHABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409125783 560680979 /nfs/dbraw/zinc/68/09/79/560680979.db2.gz FFZXVSPZWXWPSA-DZBQEORWSA-N -1 1 411.527 3.929 40 0 HHABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000409148533 560683868 /nfs/dbraw/zinc/68/38/68/560683868.db2.gz QJXDJBXBRVLXKT-WQRHYEAKSA-N -1 1 411.527 3.786 40 0 HHABMM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)S1 ZINC000409144721 560684405 /nfs/dbraw/zinc/68/44/05/560684405.db2.gz POHPGUGDOAULQO-OCKHKDLRSA-N -1 1 408.435 3.773 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010372435 560768553 /nfs/dbraw/zinc/76/85/53/560768553.db2.gz OOIBWUGLZISIJM-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(OC)c1 ZINC000013567320 560813929 /nfs/dbraw/zinc/81/39/29/560813929.db2.gz NIKWNDKDSJAHQW-MRXNPFEDSA-N -1 1 423.494 3.554 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585899 560817213 /nfs/dbraw/zinc/81/72/13/560817213.db2.gz JHEZSRCBEHYRLJ-UHFFFAOYSA-N -1 1 418.540 3.760 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1OCC(=O)N(C)C ZINC000223245252 568542426 /nfs/dbraw/zinc/54/24/26/568542426.db2.gz ALPGJEPCJMEMAA-UHFFFAOYSA-N -1 1 417.314 3.570 40 0 HHABMM COC(=O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223415394 568548170 /nfs/dbraw/zinc/54/81/70/568548170.db2.gz RVVAXJXEETUKND-INIZCTEOSA-N -1 1 424.906 3.518 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC(C)C)cc1 ZINC000223425970 568548632 /nfs/dbraw/zinc/54/86/32/568548632.db2.gz BNOXEPGVESTLKG-UHFFFAOYSA-N -1 1 406.504 3.882 40 0 HHABMM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000223630106 568554139 /nfs/dbraw/zinc/55/41/39/568554139.db2.gz OZGCMSDQROJBKV-UHFFFAOYSA-N -1 1 412.298 3.971 40 0 HHABMM Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)c1 ZINC000223645593 568554695 /nfs/dbraw/zinc/55/46/95/568554695.db2.gz YHSUQCHUGFRXDI-UHFFFAOYSA-N -1 1 412.298 3.971 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)COc3ccccc3)c2)c1 ZINC000223953321 568564321 /nfs/dbraw/zinc/56/43/21/568564321.db2.gz VQGQNEDTQKFGGZ-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000225826292 568678210 /nfs/dbraw/zinc/67/82/10/568678210.db2.gz GHKSALSQELOKSO-UHFFFAOYSA-N -1 1 409.305 3.549 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000007363510 569337435 /nfs/dbraw/zinc/33/74/35/569337435.db2.gz LUTZJSOXYZJYIS-UHFFFAOYSA-N -1 1 402.516 3.677 40 0 HHABMM COC(=O)c1ccc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010315024 569343552 /nfs/dbraw/zinc/34/35/52/569343552.db2.gz INXVFRGBTUODKR-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000022405846 569349790 /nfs/dbraw/zinc/34/97/90/569349790.db2.gz UVVGPYWGILACOT-UHFFFAOYSA-N -1 1 409.467 3.698 40 0 HHABMM Cc1ccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@H]3C)[n-]c2=O)c(C)c1 ZINC000040385632 525266915 /nfs/dbraw/zinc/26/69/15/525266915.db2.gz JQIQBKDOVAZWAY-CQSZACIVSA-N -1 1 405.527 3.839 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)c1 ZINC000408555739 557451799 /nfs/dbraw/zinc/45/17/99/557451799.db2.gz FXMHZEGNAODMPH-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408603490 557524060 /nfs/dbraw/zinc/52/40/60/557524060.db2.gz KKMRYOAIEGHJQX-AWEZNQCLSA-N -1 1 408.545 3.501 40 0 HHABMM O=C1c2ccccc2C(=O)N1c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000408721414 557769243 /nfs/dbraw/zinc/76/92/43/557769243.db2.gz GXOKNWMQTISJRH-UHFFFAOYSA-N -1 1 412.854 3.941 40 0 HHABMM COc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000008033673 557770785 /nfs/dbraw/zinc/77/07/85/557770785.db2.gz LEOWQYOOXUKXLG-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)[N-]c3ccccc3)c1)C2=O ZINC000408723156 557772623 /nfs/dbraw/zinc/77/26/23/557772623.db2.gz ZQHBTXFTFIHIBI-PGRDOPGGSA-N -1 1 412.511 3.803 40 0 HHABMM CC(C)OCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020492758 558378742 /nfs/dbraw/zinc/37/87/42/558378742.db2.gz CZQNPINDUYNBDA-UHFFFAOYSA-N -1 1 410.923 3.686 40 0 HHABMM Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Cl)c(Cl)c2)C3)cn1 ZINC000019239049 558857727 /nfs/dbraw/zinc/85/77/27/558857727.db2.gz PLOMUPBNCGLUOR-UHFFFAOYSA-N -1 1 402.285 3.813 40 0 HHABMM COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000514288413 560034970 /nfs/dbraw/zinc/03/49/70/560034970.db2.gz DEUDXARZSTWKHL-ROUUACIJSA-N -1 1 421.497 3.676 40 0 biogenic,in-vitro HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cc1 ZINC000004913857 560618540 /nfs/dbraw/zinc/61/85/40/560618540.db2.gz LSFAMAAVDNXAIW-UHFFFAOYSA-N -1 1 408.479 3.721 40 0 HHABMM Cc1cc(/C=C2/NC(=S)[N-]C2=O)cc(C)c1OCc1ccc(Br)cc1 ZINC000408849783 560647048 /nfs/dbraw/zinc/64/70/48/560647048.db2.gz YZQAMTNZTJFRFA-CXUHLZMHSA-N -1 1 417.328 3.990 40 0 HHABMM CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O ZINC000409208562 560691939 /nfs/dbraw/zinc/69/19/39/560691939.db2.gz CKAYMDZZSNFMFD-MRACZJACSA-N -1 1 414.277 3.533 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000409222745 560698939 /nfs/dbraw/zinc/69/89/39/560698939.db2.gz DJVDZRANXVBDEJ-UHFFFAOYSA-N -1 1 423.796 3.711 40 0 HHABMM O=C1[N-]C(=S)NC1=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000100415283 560724530 /nfs/dbraw/zinc/72/45/30/560724530.db2.gz ZQJDHLKVGAYLMD-RIYZIHGNSA-N -1 1 407.264 3.512 40 0 HHABMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102724550 560731600 /nfs/dbraw/zinc/73/16/00/560731600.db2.gz KERNKEUSBXMSQX-BHIFYINESA-N -1 1 400.434 3.746 40 0 HHABMM O=c1cc(COc2ccc(Cl)cc2Cl)[nH]c2nn(-c3ccccc3)c([O-])c21 ZINC000008020713 560753004 /nfs/dbraw/zinc/75/30/04/560753004.db2.gz LLBUURCOOCEKAA-UHFFFAOYSA-N -1 1 402.237 3.893 40 0 HHABMM O=c1c2c([O-])cc(COc3ccc(Cl)cc3Cl)[nH]c-2nn1-c1ccccc1 ZINC000008020713 560753005 /nfs/dbraw/zinc/75/30/05/560753005.db2.gz LLBUURCOOCEKAA-UHFFFAOYSA-N -1 1 402.237 3.893 40 0 HHABMM CCOC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010112264 560764051 /nfs/dbraw/zinc/76/40/51/560764051.db2.gz XJYVKORGTCMTBA-UHFFFAOYSA-N -1 1 424.478 3.916 40 0 HHABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000010112651 560764177 /nfs/dbraw/zinc/76/41/77/560764177.db2.gz SHIRYRGYORCENE-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010369609 560768562 /nfs/dbraw/zinc/76/85/62/560768562.db2.gz ZRCVTFWVAKYXKR-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1cc([C@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)ccc1OCc1ccccc1 ZINC000013567326 560813961 /nfs/dbraw/zinc/81/39/61/560813961.db2.gz XATHSJJMGNXIPA-OAHLLOKOSA-N -1 1 423.494 3.554 40 0 HHABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)ccc1Cl ZINC000216445321 568465444 /nfs/dbraw/zinc/46/54/44/568465444.db2.gz AQQVMLVAKMBHAU-UHFFFAOYSA-N -1 1 404.271 3.980 40 0 HHABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000222641509 568521948 /nfs/dbraw/zinc/52/19/48/568521948.db2.gz XFUCSOSWGPREAS-UHFFFAOYSA-N -1 1 410.417 3.805 40 0 HHABMM CCC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223420357 568548345 /nfs/dbraw/zinc/54/83/45/568548345.db2.gz HGILSFFTFZBOPT-AWEZNQCLSA-N -1 1 406.504 3.883 40 0 HHABMM CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223923417 568563010 /nfs/dbraw/zinc/56/30/10/568563010.db2.gz CHYLSALQSIKFBR-UHFFFAOYSA-N -1 1 424.478 3.916 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3C)cc2)cc1 ZINC000223930379 568563301 /nfs/dbraw/zinc/56/33/01/568563301.db2.gz FLFKSTCNNPVKJV-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM C[C@@H](COc1ccccc1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224026204 568566823 /nfs/dbraw/zinc/56/68/23/568566823.db2.gz IWBWUJJQGAXTAN-KRWDZBQOSA-N -1 1 410.495 3.685 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)COc3ccccc3)c2)cc1 ZINC000224027287 568566902 /nfs/dbraw/zinc/56/69/02/568566902.db2.gz TVJFPNIGEQHKAO-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224046763 568567616 /nfs/dbraw/zinc/56/76/16/568567616.db2.gz ATSYCSWMVGTOQW-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 ZINC000224319935 568577876 /nfs/dbraw/zinc/57/78/76/568577876.db2.gz FMDYBRHRXZAKEM-UHFFFAOYSA-N -1 1 420.556 3.592 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(=O)C(C)C ZINC000225432992 568637562 /nfs/dbraw/zinc/63/75/62/568637562.db2.gz CKPYNGDTKJDRBT-UHFFFAOYSA-N -1 1 422.528 3.575 40 0 HHABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2sc1=O ZINC000225687392 568664342 /nfs/dbraw/zinc/66/43/42/568664342.db2.gz PGYUFTVVTNJPNJ-UHFFFAOYSA-N -1 1 402.419 3.903 40 0 HHABMM CCc1nnc([N-]c2cccc([C@@H]3CN(Cc4cnc(C)s4)CCO3)n2)s1 ZINC000257245475 568789171 /nfs/dbraw/zinc/78/91/71/568789171.db2.gz IPQYJVTVYWLVNY-HNNXBMFYSA-N -1 1 402.549 3.578 40 0 HHABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000974923 569023167 /nfs/dbraw/zinc/02/31/67/569023167.db2.gz BETXQROPAUMXBT-LICLKQGHSA-N -1 1 400.412 3.896 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010315240 569343616 /nfs/dbraw/zinc/34/36/16/569343616.db2.gz QJNZEJUUIUPZKB-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COc1ccc(CCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010361622 569344138 /nfs/dbraw/zinc/34/41/38/569344138.db2.gz NAEDAHLBHCVPCS-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM Cc1cccc(C)c1NC(=S)c1c(N)nc(N2c3ccccc3C[C@H]2C)[n-]c1=O ZINC000040385626 524299950 /nfs/dbraw/zinc/29/99/50/524299950.db2.gz YAVPKABVRZNRKM-CQSZACIVSA-N -1 1 405.527 3.839 40 0 HHABMM Cc1ccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@@H]3C)[n-]c2=O)c(C)c1 ZINC000040385629 525266306 /nfs/dbraw/zinc/26/63/06/525266306.db2.gz JQIQBKDOVAZWAY-AWEZNQCLSA-N -1 1 405.527 3.839 40 0 HHABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(C)=O ZINC000408559029 557456439 /nfs/dbraw/zinc/45/64/39/557456439.db2.gz VDODNIJRPFXJSH-UHFFFAOYSA-N -1 1 413.293 3.607 40 0 HHABMM CC1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)CC1 ZINC000408601046 557521742 /nfs/dbraw/zinc/52/17/42/557521742.db2.gz DVKVRMDAGVZYPD-UHFFFAOYSA-N -1 1 422.934 3.778 40 0 HHABMM O=C1N[C@@H](c2ccc(F)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163731 557522379 /nfs/dbraw/zinc/52/23/79/557522379.db2.gz DJBWFJHVCRDNDT-KEYYUXOJSA-N -1 1 416.758 3.583 40 0 HHABMM O=C1N[C@@H](c2ccccc2F)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163775 557522691 /nfs/dbraw/zinc/52/26/91/557522691.db2.gz KHYAUCQBMIYWPD-KEYYUXOJSA-N -1 1 416.758 3.583 40 0 HHABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)C(=O)NC1CCCCC1 ZINC000408614185 557538317 /nfs/dbraw/zinc/53/83/17/557538317.db2.gz ZNKNYPHGSCAIFG-HNNXBMFYSA-N -1 1 420.506 3.843 40 0 HHABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020455826 558369497 /nfs/dbraw/zinc/36/94/97/558369497.db2.gz YBTAWGYGGFIYKD-UHFFFAOYSA-N -1 1 410.923 3.606 40 0 HHABMM COc1ccc(-n2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3n2)cc1Cl ZINC000020610824 558391003 /nfs/dbraw/zinc/39/10/03/558391003.db2.gz ONLLKFDEHNHQCQ-UHFFFAOYSA-N -1 1 414.874 3.883 40 0 HHABMM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000021923027 558455659 /nfs/dbraw/zinc/45/56/59/558455659.db2.gz JWZIZLHXDXFLLD-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM CCOc1ccc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[n-]2)cc1 ZINC000022607779 558500906 /nfs/dbraw/zinc/50/09/06/558500906.db2.gz AIFYWWXJZVZGNQ-UHFFFAOYSA-N -1 1 406.490 3.668 40 0 HHABMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000026528676 558662342 /nfs/dbraw/zinc/66/23/42/558662342.db2.gz MLYNCCKWQBEMNO-UHFFFAOYSA-N -1 1 422.659 3.829 40 0 HHABMM COc1ccccc1[C@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000101039778 558825635 /nfs/dbraw/zinc/82/56/35/558825635.db2.gz DVRPZJPCGJGFTH-FSSWDIPSSA-N -1 1 418.424 3.885 40 0 HHABMM CC(C)[C@@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445607 558885817 /nfs/dbraw/zinc/88/58/17/558885817.db2.gz GHHOFCKUUOIDAY-HXUWFJFHSA-N -1 1 408.527 3.899 40 0 HHABMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000113936299 559182240 /nfs/dbraw/zinc/18/22/40/559182240.db2.gz PWWYTSNIAVKYHS-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM O=C([O-])C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514288935 560033646 /nfs/dbraw/zinc/03/36/46/560033646.db2.gz LMCZMNWKDARDDS-GJZGRUSLSA-N -1 1 410.449 3.889 40 0 biogenic,in-vitro HHABMM COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000005154880 560624530 /nfs/dbraw/zinc/62/45/30/560624530.db2.gz AMZQXAJUFFZLKL-UHFFFAOYSA-N -1 1 401.875 3.830 40 0 HHABMM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000006416148 560742048 /nfs/dbraw/zinc/74/20/48/560742048.db2.gz AQXKGWBBQHEVKS-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000223368596 568546657 /nfs/dbraw/zinc/54/66/57/568546657.db2.gz MWFLLWSNHZGBMD-UHFFFAOYSA-N -1 1 401.415 3.904 40 0 HHABMM COC(=O)c1ccc(NC2CCCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223417724 568548229 /nfs/dbraw/zinc/54/82/29/568548229.db2.gz UDVGSWLJICXNNI-UHFFFAOYSA-N -1 1 404.488 3.637 40 0 HHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1Cl ZINC000223826215 568560068 /nfs/dbraw/zinc/56/00/68/568560068.db2.gz CAYRNHJZQFCLRH-UHFFFAOYSA-N -1 1 404.669 3.690 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223916412 568562893 /nfs/dbraw/zinc/56/28/93/568562893.db2.gz WVPUHMKLHNJWDW-UHFFFAOYSA-N -1 1 410.451 3.526 40 0 HHABMM COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223927154 568563220 /nfs/dbraw/zinc/56/32/20/568563220.db2.gz GSSZDYFKIBNNCD-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223940747 568563789 /nfs/dbraw/zinc/56/37/89/568563789.db2.gz HVZZMBKDQQWIGA-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM C[C@H](COc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223971440 568564868 /nfs/dbraw/zinc/56/48/68/568564868.db2.gz UJOLRRNHVPXQQB-QGZVFWFLSA-N -1 1 410.495 3.685 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)COc3ccccc3)cc2)cc1 ZINC000223972430 568564967 /nfs/dbraw/zinc/56/49/67/568564967.db2.gz MSXQGYZTFHUZDI-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000223984869 568565240 /nfs/dbraw/zinc/56/52/40/568565240.db2.gz HCQRYGLYEBWQHW-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000223984968 568565364 /nfs/dbraw/zinc/56/53/64/568565364.db2.gz QVUQWYLADWPOIG-UHFFFAOYSA-N -1 1 408.479 3.699 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCCCC3)c2)cc1 ZINC000224068959 568568414 /nfs/dbraw/zinc/56/84/14/568568414.db2.gz GHSVSPIXZMDSTP-UHFFFAOYSA-N -1 1 408.907 3.776 40 0 HHABMM Cc1cc(C(=O)NCCc2ccc(F)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224088963 568569327 /nfs/dbraw/zinc/56/93/27/568569327.db2.gz HSBIORWTLCPVDZ-UHFFFAOYSA-N -1 1 412.486 3.907 40 0 HHABMM Cc1cc(C(=O)NCCOCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224089314 568569480 /nfs/dbraw/zinc/56/94/80/568569480.db2.gz XIHPUKSKLTZRGR-UHFFFAOYSA-N -1 1 424.522 3.742 40 0 HHABMM CSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)s1 ZINC000224329599 568578097 /nfs/dbraw/zinc/57/80/97/568578097.db2.gz NDLTUTBKCGQLIR-UHFFFAOYSA-N -1 1 420.541 3.622 40 0 HHABMM O=C1[N-]C(=S)SC1=Cc1cc(Br)c(I)o1 ZINC000059105236 568700651 /nfs/dbraw/zinc/70/06/51/568700651.db2.gz IPXKXXYGQIQREK-GORDUTHDSA-N -1 1 416.059 3.976 40 0 HHABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059132886 568700797 /nfs/dbraw/zinc/70/07/97/568700797.db2.gz CEHMWRZPMCWXSR-UHFFFAOYSA-N -1 1 416.524 3.905 40 0 HHABMM COc1cc(C)ccc1CN1CCO[C@H](c2cccc([N-]c3nnc(C)s3)n2)C1 ZINC000257262706 568793633 /nfs/dbraw/zinc/79/36/33/568793633.db2.gz LMMOJICLGCAYLM-IBGZPJMESA-N -1 1 411.531 3.876 40 0 HHABMM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000005978730 569329171 /nfs/dbraw/zinc/32/91/71/569329171.db2.gz AJTZDABAYMGNGN-UHFFFAOYSA-N -1 1 417.314 3.699 40 0 HHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(F)cc3)C(=O)[O-])n2)c1 ZINC000213370687 569356054 /nfs/dbraw/zinc/35/60/54/569356054.db2.gz GCUYWIREKUZEAN-APSNUPSMSA-N -1 1 401.419 3.846 40 0 HHABMM CC1CCN(c2nc(N)c(C(=S)Nc3ccc(Cl)c(Cl)c3)c(=O)[n-]2)CC1 ZINC000040385558 521045642 /nfs/dbraw/zinc/04/56/42/521045642.db2.gz FEOHHHVUOMIFRS-UHFFFAOYSA-N -1 1 412.346 3.683 40 0 HHABMM CCOc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000044901077 521499679 /nfs/dbraw/zinc/49/96/79/521499679.db2.gz PUQOSHBDQFPUJB-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM CCc1ccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@@H]3C)[n-]c2=O)cc1 ZINC000040385611 523993252 /nfs/dbraw/zinc/99/32/52/523993252.db2.gz YARIKEFZDSORTD-ZDUSSCGKSA-N -1 1 405.527 3.785 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040400373 525329062 /nfs/dbraw/zinc/32/90/62/525329062.db2.gz GLVQEKCZDCYACI-QGZVFWFLSA-N -1 1 417.469 3.503 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1NC(=O)c1ccccc1 ZINC000408557088 557453945 /nfs/dbraw/zinc/45/39/45/557453945.db2.gz KWWMJMKUDMNMAE-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408588296 557492092 /nfs/dbraw/zinc/49/20/92/557492092.db2.gz FMUYJDHSNLGRIZ-INIZCTEOSA-N -1 1 412.511 3.933 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)NC(C)C ZINC000408604268 557525674 /nfs/dbraw/zinc/52/56/74/557525674.db2.gz LQLDRLZMIXAZHG-UHFFFAOYSA-N -1 1 400.422 3.953 40 0 HHABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3C)ccc21 ZINC000408685364 557699287 /nfs/dbraw/zinc/69/92/87/557699287.db2.gz PEEBTQSHBKKGAO-UHFFFAOYSA-N -1 1 423.332 3.776 40 0 HHABMM CCOc1cccc2c(C)nc(Nc3nc(-c4cccc(OC)c4)cc(=O)[n-]3)nc12 ZINC000020633997 558395473 /nfs/dbraw/zinc/39/54/73/558395473.db2.gz FIFUQQDVBKNMHB-UHFFFAOYSA-N -1 1 403.442 3.839 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000015976629 558764874 /nfs/dbraw/zinc/76/48/74/558764874.db2.gz ZPKAEHGQBVJADD-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000016321220 558786173 /nfs/dbraw/zinc/78/61/73/558786173.db2.gz MGWPYSLFMIRNSI-UHFFFAOYSA-N -1 1 409.467 3.698 40 0 HHABMM CCC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1C ZINC000035289536 558789572 /nfs/dbraw/zinc/78/95/72/558789572.db2.gz WOYRSJOLNSVUJM-UHFFFAOYSA-N -1 1 422.510 3.825 40 0 HHABMM COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000017155068 558824364 /nfs/dbraw/zinc/82/43/64/558824364.db2.gz UTAOEFRNGCABKX-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)c1 ZINC000017850252 558828262 /nfs/dbraw/zinc/82/82/62/558828262.db2.gz RANFSHWHOKXEFD-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000047156142 558841823 /nfs/dbraw/zinc/84/18/23/558841823.db2.gz IAVZBNMTDXASSL-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM Cc1cccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c1 ZINC000019234840 558854048 /nfs/dbraw/zinc/85/40/48/558854048.db2.gz NZRKTOLXHMCJBI-QHCPKHFHSA-N -1 1 424.504 3.783 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)cc1 ZINC000055639233 558883822 /nfs/dbraw/zinc/88/38/22/558883822.db2.gz DADYZJFSZLPUOA-UHFFFAOYSA-N -1 1 402.516 3.867 40 0 HHABMM CC(C)[C@H](NC(=O)c1cc2c(s1)CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445589 558885712 /nfs/dbraw/zinc/88/57/12/558885712.db2.gz LDHYRXHAJPKMMO-FQEVSTJZSA-N -1 1 408.527 3.899 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c1 ZINC000000916424 560550062 /nfs/dbraw/zinc/55/00/62/560550062.db2.gz NVZKNXDTFKJNCD-NRFANRHFSA-N -1 1 424.478 3.574 40 0 HHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1O ZINC000004944398 560616394 /nfs/dbraw/zinc/61/63/94/560616394.db2.gz BTHQINPVTBCCTI-AWEZNQCLSA-N -1 1 409.467 3.663 40 0 HHABMM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)cc1 ZINC000409155669 560685331 /nfs/dbraw/zinc/68/53/31/560685331.db2.gz QXEJBJJPQPQSDR-CXUHLZMHSA-N -1 1 418.858 3.729 40 0 HHABMM COc1c(Br)cc(Br)cc1CNn1c(C)n[n-]c1=S ZINC000007541623 560751567 /nfs/dbraw/zinc/75/15/67/560751567.db2.gz GHFBDDIMZJRANU-UHFFFAOYSA-N -1 1 408.119 3.526 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000010112217 560763882 /nfs/dbraw/zinc/76/38/82/560763882.db2.gz WJFHMMPAQPJNRH-UHFFFAOYSA-N -1 1 410.451 3.526 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)N(C)C ZINC000223245176 568542441 /nfs/dbraw/zinc/54/24/41/568542441.db2.gz NMIFDEZMEKIZIG-UHFFFAOYSA-N -1 1 417.314 3.570 40 0 HHABMM COC(=O)c1ccc(NCc2ccccn2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411374 568547831 /nfs/dbraw/zinc/54/78/31/568547831.db2.gz DXDUHFHAWIEVPG-UHFFFAOYSA-N -1 1 411.483 3.590 40 0 HHABMM COC(=O)c1ccc(NCc2ccncc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411551 568547848 /nfs/dbraw/zinc/54/78/48/568547848.db2.gz RPQBHPLKJKLYIF-UHFFFAOYSA-N -1 1 411.483 3.590 40 0 HHABMM COC(=O)c1ccc(N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223419765 568548427 /nfs/dbraw/zinc/54/84/27/568548427.db2.gz ZFLMERFCGVJVAF-UHFFFAOYSA-N -1 1 418.515 3.519 40 0 HHABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000223768610 568558587 /nfs/dbraw/zinc/55/85/87/568558587.db2.gz AYDMHQCSDXZQPB-UHFFFAOYSA-N -1 1 421.316 3.549 40 0 HHABMM Cc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000223921304 568563053 /nfs/dbraw/zinc/56/30/53/568563053.db2.gz GWAKYQQFSOBZDT-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223927399 568563184 /nfs/dbraw/zinc/56/31/84/568563184.db2.gz OUUKFDGHALLCQQ-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)COc2ccccc2)c1 ZINC000223946009 568564007 /nfs/dbraw/zinc/56/40/07/568564007.db2.gz ALFTZDZFFRWKPZ-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000224036574 568567147 /nfs/dbraw/zinc/56/71/47/568567147.db2.gz ZDBNXYNHWSFUKV-INIZCTEOSA-N -1 1 410.495 3.987 40 0 HHABMM Cc1cccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224083147 568569061 /nfs/dbraw/zinc/56/90/61/568569061.db2.gz TWJFHZTWRQHXQW-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)c1 ZINC000224558168 568585159 /nfs/dbraw/zinc/58/51/59/568585159.db2.gz HJCIHTNKDLKOSR-UHFFFAOYSA-N -1 1 410.495 3.986 40 0 HHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225177623 568620820 /nfs/dbraw/zinc/62/08/20/568620820.db2.gz SNDHJJCSWALHRO-UHFFFAOYSA-N -1 1 420.512 3.540 40 0 HHABMM CCOc1cc(-c2cc(-c3ccc([O-])c(Br)c3)nn2CCO)ccc1O ZINC000257233257 568785815 /nfs/dbraw/zinc/78/58/15/568785815.db2.gz GOLSAFLSSDFWBH-UHFFFAOYSA-N -1 1 419.275 3.782 40 0 HHABMM O=S(=O)([N-]c1ccc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000013533957 569004712 /nfs/dbraw/zinc/00/47/12/569004712.db2.gz QYEZSKVNNCRMKL-INIZCTEOSA-N -1 1 416.528 3.587 40 0 HHABMM O=S(=O)(Nc1ccc(-c2n[n-]c(=S)n2C[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000013533957 569004713 /nfs/dbraw/zinc/00/47/13/569004713.db2.gz QYEZSKVNNCRMKL-INIZCTEOSA-N -1 1 416.528 3.587 40 0 HHABMM COc1ccc2cc(CNc3ccc(N4CCCCC4)cc3C(=O)[O-])c(=O)[nH]c2c1 ZINC000013565087 569051979 /nfs/dbraw/zinc/05/19/79/569051979.db2.gz GIAICABFXOOCQG-UHFFFAOYSA-N -1 1 407.470 3.837 40 0 HHABMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)cc3cccc1c32 ZINC000001926358 960466364 /nfs/dbraw/zinc/46/63/64/960466364.db2.gz GNFGMBZMPGCUPF-UHFFFAOYSA-N -1 1 402.431 3.677 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1N1CCCC1=O ZINC000044880791 525085795 /nfs/dbraw/zinc/08/57/95/525085795.db2.gz RIHZGCQEUHLPCI-UHFFFAOYSA-N -1 1 414.405 3.642 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000408598142 557508461 /nfs/dbraw/zinc/50/84/61/557508461.db2.gz XIQXUNOCRSXKNL-UHFFFAOYSA-N -1 1 403.504 3.904 40 0 HHABMM CC(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635446 557600789 /nfs/dbraw/zinc/60/07/89/557600789.db2.gz BIJMEJXJJCEMPE-UHFFFAOYSA-N -1 1 417.314 3.698 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000005204155 557639962 /nfs/dbraw/zinc/63/99/62/557639962.db2.gz AESNBYILJKDBNW-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1OC ZINC000408699832 557718928 /nfs/dbraw/zinc/71/89/28/557718928.db2.gz ZPAOREXTOBTSCC-UHFFFAOYSA-N -1 1 413.293 3.607 40 0 HHABMM COc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000010112612 557855680 /nfs/dbraw/zinc/85/56/80/557855680.db2.gz KEQBFFORTATHKM-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM COc1ccc(OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010367989 557861714 /nfs/dbraw/zinc/86/17/14/557861714.db2.gz KKNLPSOXVLADMB-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM Cc1c(C(=O)N[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C(C)C)c2ccccc2n1C ZINC000019581777 558937090 /nfs/dbraw/zinc/93/70/90/558937090.db2.gz QFKRDUIRSSKWIQ-QFIPXVFZSA-N -1 1 415.497 3.759 40 0 HHABMM Cc1ccc2nc(C[C@H]3CN(C(=O)NC4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289119 560033087 /nfs/dbraw/zinc/03/30/87/560033087.db2.gz OYUCNLVTQIPSRD-IRXDYDNUSA-N -1 1 412.534 3.869 40 0 biogenic,in-vitro HHABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409129621 560681619 /nfs/dbraw/zinc/68/16/19/560681619.db2.gz UZFHENNESYEXTC-WQRHYEAKSA-N -1 1 411.527 3.977 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585897 560817270 /nfs/dbraw/zinc/81/72/70/560817270.db2.gz SPWKCDOHUKWUPM-UHFFFAOYSA-N -1 1 418.540 3.760 40 0 HHABMM CCN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409100450 568504787 /nfs/dbraw/zinc/50/47/87/568504787.db2.gz NKAGPGHYUIWLGA-RUDMXATFSA-N -1 1 409.632 3.706 40 0 HHABMM COC(=O)c1ccc(NCc2ccco2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411157 568547845 /nfs/dbraw/zinc/54/78/45/568547845.db2.gz BTHGWTCHDNGUEA-UHFFFAOYSA-N -1 1 400.456 3.788 40 0 HHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)ccc1C ZINC000223801252 568559526 /nfs/dbraw/zinc/55/95/26/568559526.db2.gz GHYYXKIIBMWVDY-UHFFFAOYSA-N -1 1 418.696 3.998 40 0 HHABMM COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223927245 568563111 /nfs/dbraw/zinc/56/31/11/568563111.db2.gz ACTWXNHYIYDYIM-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223935435 568563461 /nfs/dbraw/zinc/56/34/61/568563461.db2.gz JHWPRZJOWPXUFY-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224083228 568569096 /nfs/dbraw/zinc/56/90/96/568569096.db2.gz VLVLPANMRFZXKM-UHFFFAOYSA-N -1 1 412.486 3.907 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)c1 ZINC000224571374 568585728 /nfs/dbraw/zinc/58/57/28/568585728.db2.gz KXRAKGUCDFUBTJ-UHFFFAOYSA-N -1 1 414.458 3.952 40 0 HHABMM Cc1nnc(SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])[nH]1 ZINC000006455882 569332619 /nfs/dbraw/zinc/33/26/19/569332619.db2.gz DVAKHCDKNZLKBJ-YVLHZVERSA-N -1 1 412.427 3.818 40 0 HHABMM Cc1nc(SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[nH]1 ZINC000006455882 569332621 /nfs/dbraw/zinc/33/26/21/569332621.db2.gz DVAKHCDKNZLKBJ-YVLHZVERSA-N -1 1 412.427 3.818 40 0 HHABMM CCc1nc(SC(=Cc2cc(Br)cc(Cl)c2O)C(=O)[O-])n[nH]1 ZINC000007342412 569337053 /nfs/dbraw/zinc/33/70/53/569337053.db2.gz YZMWKFQBGIQPHR-WTKPLQERSA-N -1 1 404.673 3.706 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010315015 569343515 /nfs/dbraw/zinc/34/35/15/569343515.db2.gz ZDKGHPCWBFZZSY-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CC[C@@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCCC[C@@H]32)C(=O)[N-]C1=S ZINC000008997609 132334823 /nfs/dbraw/zinc/33/48/23/132334823.db2.gz FAXHGYNNSDBMHI-PJUBBZNESA-N -1 1 419.978 3.673 40 0 HHABMM CC1=C[C@@H](CNC(=O)CCCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320918 520880225 /nfs/dbraw/zinc/88/02/25/520880225.db2.gz ALAJIRBPTNHUAF-BZSNNMDCSA-N -1 1 412.534 3.726 40 0 biogenic,in-vitro HHABMM CC1=C[C@@H](CNC(=O)CCCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320918 520880232 /nfs/dbraw/zinc/88/02/32/520880232.db2.gz ALAJIRBPTNHUAF-BZSNNMDCSA-N -1 1 412.534 3.726 40 0 biogenic,in-vitro HHABMM COC(=O)CC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000044138830 523111885 /nfs/dbraw/zinc/11/18/85/523111885.db2.gz LQSSSUAWROAMPP-JOCHJYFZSA-N -1 1 403.478 3.975 40 0 HHABMM O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000408609055 557532391 /nfs/dbraw/zinc/53/23/91/557532391.db2.gz NQZRDQCLZOOLJG-HUUFRCNWSA-N -1 1 410.558 3.953 40 0 HHABMM COc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000008379351 557784511 /nfs/dbraw/zinc/78/45/11/557784511.db2.gz XEUBAXMNHSNODD-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010113002 557855841 /nfs/dbraw/zinc/85/58/41/557855841.db2.gz TYCVHIYEQACMHN-UHFFFAOYSA-N -1 1 410.451 3.777 40 0 HHABMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)cc2sc1=O ZINC000012117112 558328766 /nfs/dbraw/zinc/32/87/66/558328766.db2.gz SCEDTPISJKMZQC-UHFFFAOYSA-N -1 1 413.480 3.588 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1N1CCCC1=O ZINC000020450715 558365521 /nfs/dbraw/zinc/36/55/21/558365521.db2.gz NHQNEEYRXKHPNL-UHFFFAOYSA-N -1 1 409.305 3.685 40 0 HHABMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)NC1CCCCC1 ZINC000036612318 558725303 /nfs/dbraw/zinc/72/53/03/558725303.db2.gz SGJRQGZHLFENLF-MHWRWJLKSA-N -1 1 406.529 3.852 40 0 HHABMM CCOC(=O)C(Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)=C(C)[O-] ZINC000016682129 558799495 /nfs/dbraw/zinc/79/94/95/558799495.db2.gz AYEFHWGPGBBFMZ-HNNXBMFYSA-N -1 1 401.362 3.595 40 0 HHABMM CN1c2ccccc2[C@H](NCCCCCCC(=O)[O-])c2ccccc2S1(=O)=O ZINC000049538510 558850019 /nfs/dbraw/zinc/85/00/19/558850019.db2.gz JMFDJSZIOWLQSP-NRFANRHFSA-N -1 1 402.516 3.539 40 0 in-vitro HHABMM O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc2ccccc2cc1[O-] ZINC000585111564 559030602 /nfs/dbraw/zinc/03/06/02/559030602.db2.gz WJIJQVGCPFKRAK-QHCPKHFHSA-N -1 1 413.477 3.834 40 0 HHABMM COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000409409328 560722799 /nfs/dbraw/zinc/72/27/99/560722799.db2.gz HOZDTAXKFKUDDH-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)ccc1O ZINC000013567407 560813916 /nfs/dbraw/zinc/81/39/16/560813916.db2.gz FYCSRCOKIOUKJT-HNNXBMFYSA-N -1 1 423.494 3.559 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccnc3)c(Cl)c2)cc1 ZINC000216461698 568465515 /nfs/dbraw/zinc/46/55/15/568465515.db2.gz IKUBHRIXNFZWMJ-UHFFFAOYSA-N -1 1 415.902 3.774 40 0 HHABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000223289859 568544253 /nfs/dbraw/zinc/54/42/53/568544253.db2.gz UMFLFVFSCLWQLF-RUDMXATFSA-N -1 1 418.824 3.919 40 0 HHABMM COC(=O)c1ccc(NCCCOC(C)C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223412674 568548046 /nfs/dbraw/zinc/54/80/46/568548046.db2.gz AXGXWOWIPADJJW-UHFFFAOYSA-N -1 1 420.531 3.809 40 0 HHABMM COC(=O)c1ccc(N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223419819 568548355 /nfs/dbraw/zinc/54/83/55/568548355.db2.gz VILFWWHXTHHDNW-UHFFFAOYSA-N -1 1 418.515 3.663 40 0 HHABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1OC ZINC000223916728 568562883 /nfs/dbraw/zinc/56/28/83/568562883.db2.gz UTEFQEOKZFICPZ-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223923871 568563005 /nfs/dbraw/zinc/56/30/05/568563005.db2.gz YGLMSONKNQRENR-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223944333 568563945 /nfs/dbraw/zinc/56/39/45/568563945.db2.gz HABBAUOMWXPHDH-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccc(C)c(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000224000940 568565775 /nfs/dbraw/zinc/56/57/75/568565775.db2.gz BYQZBXLKYSDPLD-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000225088055 568613402 /nfs/dbraw/zinc/61/34/02/568613402.db2.gz RVPWWIDUHOIODR-UHFFFAOYSA-N -1 1 406.463 3.808 40 0 HHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225702943 568665921 /nfs/dbraw/zinc/66/59/21/568665921.db2.gz LCRPZDMCGCFKET-UHFFFAOYSA-N -1 1 420.512 3.621 40 0 HHABMM COc1cc(C)ccc1CN1CCO[C@@H](c2cccc([N-]c3nnc(C)s3)n2)C1 ZINC000257262707 568793645 /nfs/dbraw/zinc/79/36/45/568793645.db2.gz LMMOJICLGCAYLM-LJQANCHMSA-N -1 1 411.531 3.876 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314571 569343437 /nfs/dbraw/zinc/34/34/37/569343437.db2.gz IRTHFGWDVXETKF-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1 ZINC000000800802 557084942 /nfs/dbraw/zinc/08/49/42/557084942.db2.gz KOAPNFUAFXUJMM-UHFFFAOYSA-N -1 1 406.467 3.761 40 0 HHABMM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408589732 557497833 /nfs/dbraw/zinc/49/78/33/557497833.db2.gz FFSNFCYYYRYCOY-AWEZNQCLSA-N -1 1 410.923 3.680 40 0 HHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1C ZINC000408612106 557530125 /nfs/dbraw/zinc/53/01/25/557530125.db2.gz YKCWISCONIHLJA-UHFFFAOYSA-N -1 1 411.321 3.698 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000005184715 557639145 /nfs/dbraw/zinc/63/91/45/557639145.db2.gz QMQAJHGXSNHPEU-UHFFFAOYSA-N -1 1 410.451 3.777 40 0 HHABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1OC ZINC000408696930 557714140 /nfs/dbraw/zinc/71/41/40/557714140.db2.gz GIGHFYULLGDQEC-UHFFFAOYSA-N -1 1 402.394 3.863 40 0 HHABMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000008033301 557770442 /nfs/dbraw/zinc/77/04/42/557770442.db2.gz OFXPOWBVGHOVKM-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccccn1 ZINC000011582425 558264369 /nfs/dbraw/zinc/26/43/69/558264369.db2.gz MJQGWYFYAQTZTH-QHAWAJNXSA-N -1 1 403.413 3.580 40 0 HHABMM O=C(NCCSCc1ccco1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000013678032 558565103 /nfs/dbraw/zinc/56/51/03/558565103.db2.gz OLOIPFUKAMQNNV-UHFFFAOYSA-N -1 1 416.524 3.744 40 0 HHABMM O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015976844 558765081 /nfs/dbraw/zinc/76/50/81/558765081.db2.gz OHRUQPSETQHGDL-UHFFFAOYSA-N -1 1 402.422 3.696 40 0 HHABMM CC(C)[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445583 558885761 /nfs/dbraw/zinc/88/57/61/558885761.db2.gz LWHAZXJGZZTREF-HXUWFJFHSA-N -1 1 405.433 3.579 40 0 HHABMM CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)c2cc(Cl)ccc2[O-])CC3)c1 ZINC000585111546 559030588 /nfs/dbraw/zinc/03/05/88/559030588.db2.gz VFVMESQRLLRBBQ-UHFFFAOYSA-N -1 1 424.888 3.566 40 0 HHABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000006270309 560740808 /nfs/dbraw/zinc/74/08/08/560740808.db2.gz KEESPOMUCRNCAY-UHFFFAOYSA-N -1 1 416.524 3.905 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C(=O)N1CCCCC1 ZINC000007361540 560750589 /nfs/dbraw/zinc/75/05/89/560750589.db2.gz PHLNJVCBFSCYIJ-UHFFFAOYSA-N -1 1 420.556 3.844 40 0 HHABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000008339135 560754286 /nfs/dbraw/zinc/75/42/86/560754286.db2.gz XALHUSHUAYWQTK-UHFFFAOYSA-N -1 1 405.911 3.883 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010315192 560767502 /nfs/dbraw/zinc/76/75/02/560767502.db2.gz ATTRZNPFJWUHOT-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)c1 ZINC000013567422 560813994 /nfs/dbraw/zinc/81/39/94/560813994.db2.gz SYRNCKDBOIPFRL-OAHLLOKOSA-N -1 1 421.478 3.573 40 0 HHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000216377492 568464927 /nfs/dbraw/zinc/46/49/27/568464927.db2.gz RTKDJCRPINKERR-UHFFFAOYSA-N -1 1 408.545 3.746 40 0 HHABMM CCc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)ccc1OC ZINC000223689432 568556266 /nfs/dbraw/zinc/55/62/66/568556266.db2.gz JVCRQHJMOIQQPD-UHFFFAOYSA-N -1 1 402.516 3.685 40 0 HHABMM COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223926612 568563141 /nfs/dbraw/zinc/56/31/41/568563141.db2.gz ZUFWPKAHPLNIOC-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223935517 568563498 /nfs/dbraw/zinc/56/34/98/568563498.db2.gz MCSYWBLYFUXSLA-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3OC)c2)cc1 ZINC000224038001 568567328 /nfs/dbraw/zinc/56/73/28/568567328.db2.gz GVVACELNNUYTDI-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM Cc1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224046816 568567648 /nfs/dbraw/zinc/56/76/48/568567648.db2.gz ATSYCSWMVGTOQW-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM Cc1cc(C)cc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000224072755 568568560 /nfs/dbraw/zinc/56/85/60/568568560.db2.gz HQOJBJVQQUYXRL-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1C(=O)C1(c2ccccc2)CCCCC1 ZINC000257239658 568787430 /nfs/dbraw/zinc/78/74/30/568787430.db2.gz HQGSDALPXKFLKL-SFHVURJKSA-N -1 1 415.559 3.769 40 0 HHABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)C1(c2ccccc2)CCCCC1 ZINC000257239658 568787432 /nfs/dbraw/zinc/78/74/32/568787432.db2.gz HQGSDALPXKFLKL-SFHVURJKSA-N -1 1 415.559 3.769 40 0 HHABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000257301453 568804805 /nfs/dbraw/zinc/80/48/05/568804805.db2.gz RYMMMEPJYAWHJD-IBGZPJMESA-N -1 1 423.538 3.699 40 0 HHABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000257301453 568804807 /nfs/dbraw/zinc/80/48/07/568804807.db2.gz RYMMMEPJYAWHJD-IBGZPJMESA-N -1 1 423.538 3.699 40 0 HHABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000016779123 569046425 /nfs/dbraw/zinc/04/64/25/569046425.db2.gz CENWZZDSTXLKJR-SXGWCWSVSA-N -1 1 418.858 3.690 40 0 HHABMM Cc1nc(SC(=Cc2cccn2-c2ccc(Br)cc2)C(=O)[O-])n[nH]1 ZINC000006328694 569331160 /nfs/dbraw/zinc/33/11/60/569331160.db2.gz UWWYMALYWLHUMK-ZROIWOOFSA-N -1 1 405.277 3.884 40 0 HHABMM Cc1nnc(SC(=Cc2cccn2-c2ccc(Br)cc2)C(=O)[O-])[nH]1 ZINC000006328694 569331159 /nfs/dbraw/zinc/33/11/59/569331159.db2.gz UWWYMALYWLHUMK-ZROIWOOFSA-N -1 1 405.277 3.884 40 0 HHABMM Cc1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)[O-])n1 ZINC000006328678 569331187 /nfs/dbraw/zinc/33/11/87/569331187.db2.gz PWXZTKNDBVALMP-LFIBNONCSA-N -1 1 403.464 3.620 40 0 HHABMM Cc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)[O-])n[nH]1 ZINC000006328678 569331188 /nfs/dbraw/zinc/33/11/88/569331188.db2.gz PWXZTKNDBVALMP-LFIBNONCSA-N -1 1 403.464 3.620 40 0 HHABMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010331021 569343797 /nfs/dbraw/zinc/34/37/97/569343797.db2.gz WTNIHKYCGZXLST-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM CCOC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010332392 569343832 /nfs/dbraw/zinc/34/38/32/569343832.db2.gz NDNYPJAFHXTIKO-UHFFFAOYSA-N -1 1 424.478 3.916 40 0 HHABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 ZINC000028206634 569350046 /nfs/dbraw/zinc/35/00/46/569350046.db2.gz LAGZKMGRPOSXHP-UHFFFAOYSA-N -1 1 420.490 3.893 40 0 HHABMM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408589733 557497701 /nfs/dbraw/zinc/49/77/01/557497701.db2.gz FFSNFCYYYRYCOY-CQSZACIVSA-N -1 1 410.923 3.680 40 0 HHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NC1CCCC1 ZINC000408593959 557511868 /nfs/dbraw/zinc/51/18/68/557511868.db2.gz QWMLEQLUBZYCON-UHFFFAOYSA-N -1 1 408.907 3.578 40 0 HHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1Cl ZINC000020104757 558333046 /nfs/dbraw/zinc/33/30/46/558333046.db2.gz MIDBTQIWYPSELO-UHFFFAOYSA-N -1 1 404.271 3.980 40 0 HHABMM COc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000022411829 558488044 /nfs/dbraw/zinc/48/80/44/558488044.db2.gz QHDNLKYKNXZRMF-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000022525409 558495710 /nfs/dbraw/zinc/49/57/10/558495710.db2.gz BVWJARHDAGPCDB-UHFFFAOYSA-N -1 1 406.529 3.735 40 0 HHABMM COc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000013670837 558562213 /nfs/dbraw/zinc/56/22/13/558562213.db2.gz QNHQWKYYIOXFJC-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000013675243 558563996 /nfs/dbraw/zinc/56/39/96/558563996.db2.gz UEPZSOBHXUNLIL-UHFFFAOYSA-N -1 1 424.478 3.916 40 0 HHABMM Cc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000036667940 558800953 /nfs/dbraw/zinc/80/09/53/558800953.db2.gz YLFGOLIWBHYNPU-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c1 ZINC000017304750 558826750 /nfs/dbraw/zinc/82/67/50/558826750.db2.gz MHLHOUXXWBYDNO-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc4C3)c2)c1 ZINC000017322029 558827045 /nfs/dbraw/zinc/82/70/45/558827045.db2.gz HOMYYZHIQQOABB-UHFFFAOYSA-N -1 1 406.507 3.994 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C)cc3)c2)cc1 ZINC000018075099 558830583 /nfs/dbraw/zinc/83/05/83/558830583.db2.gz WZIINLIRBUJNSB-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccc2nc(C[C@H]3CN(C(=O)c4cccc(F)c4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289653 560031951 /nfs/dbraw/zinc/03/19/51/560031951.db2.gz XXALLUMWOZTYSX-RDJZCZTQSA-N -1 1 409.461 3.806 40 0 biogenic,in-vitro HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1OC ZINC000004957333 560617468 /nfs/dbraw/zinc/61/74/68/560617468.db2.gz MWFKDQJWMUUUDT-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)c1 ZINC000409409200 560722720 /nfs/dbraw/zinc/72/27/20/560722720.db2.gz FYDGAYCNSHAQFA-UHFFFAOYSA-N -1 1 409.511 3.738 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010329075 560768129 /nfs/dbraw/zinc/76/81/29/560768129.db2.gz LNMCSIUJCLOMKA-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000013567429 560814068 /nfs/dbraw/zinc/81/40/68/560814068.db2.gz ZYFVHDRXCGDMEC-HNNXBMFYSA-N -1 1 421.478 3.573 40 0 HHABMM O=C(NCCSCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000014155347 560840017 /nfs/dbraw/zinc/84/00/17/560840017.db2.gz NXQFACUOLJOCID-UHFFFAOYSA-N -1 1 416.524 3.744 40 0 HHABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)cc1NC(C)=O ZINC000223262350 568543184 /nfs/dbraw/zinc/54/31/84/568543184.db2.gz GTKJAIHFTCQUBF-UHFFFAOYSA-N -1 1 414.487 3.543 40 0 HHABMM COc1ccccc1[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223282457 568544067 /nfs/dbraw/zinc/54/40/67/568544067.db2.gz CJXVARPZNHWBDY-INIZCTEOSA-N -1 1 410.495 3.987 40 0 HHABMM COC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223423860 568548499 /nfs/dbraw/zinc/54/84/99/568548499.db2.gz DRWAPZUVTOKBNW-MRXNPFEDSA-N -1 1 420.531 3.808 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CC2)cc1 ZINC000223426486 568548620 /nfs/dbraw/zinc/54/86/20/568548620.db2.gz GEHMEPRVFVTKDC-UHFFFAOYSA-N -1 1 404.488 3.636 40 0 HHABMM CCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000223929271 568563311 /nfs/dbraw/zinc/56/33/11/568563311.db2.gz JYFBSVSRBKSFRZ-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223938397 568563715 /nfs/dbraw/zinc/56/37/15/568563715.db2.gz UYKUYYWDUBUOKB-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000223980284 568565221 /nfs/dbraw/zinc/56/52/21/568565221.db2.gz NVWZTZAYLUULHV-MRXNPFEDSA-N -1 1 410.495 3.987 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2C)cc1 ZINC000224008972 568566088 /nfs/dbraw/zinc/56/60/88/568566088.db2.gz XPURVJUGCUQGHI-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccccc3C)c2)cc1 ZINC000224075170 568568721 /nfs/dbraw/zinc/56/87/21/568568721.db2.gz ZEVVCIDIFMWACU-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1N1CCCC1=O ZINC000224378477 568579576 /nfs/dbraw/zinc/57/95/76/568579576.db2.gz SYEVYXMRNWSEJQ-UHFFFAOYSA-N -1 1 422.506 3.875 40 0 HHABMM CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1[O-] ZINC000006537216 569333265 /nfs/dbraw/zinc/33/32/65/569333265.db2.gz IZKHUOYHRSNCPO-MHWRWJLKSA-N -1 1 415.287 3.819 40 0 HHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(C)c3C)C(=O)[O-])n2)c1 ZINC000007342144 569336951 /nfs/dbraw/zinc/33/69/51/569336951.db2.gz QQCGDWINAPNTCR-MFOYZWKCSA-N -1 1 414.487 3.662 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000040400515 525330253 /nfs/dbraw/zinc/33/02/53/525330253.db2.gz MLANXVRKYFXLAN-INIZCTEOSA-N -1 1 417.469 3.503 40 0 HHABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1OCC ZINC000408585823 557489778 /nfs/dbraw/zinc/48/97/78/557489778.db2.gz JUQSVABNSZDRNX-UHFFFAOYSA-N -1 1 406.460 3.657 40 0 HHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1C ZINC000408617857 557534609 /nfs/dbraw/zinc/53/46/09/557534609.db2.gz DQWCEHYGKZTDIV-UHFFFAOYSA-N -1 1 400.422 3.954 40 0 HHABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)c(Br)cc3C)ccc21 ZINC000408687207 557702822 /nfs/dbraw/zinc/70/28/22/557702822.db2.gz TWVAWJHQLWIELV-UHFFFAOYSA-N -1 1 423.332 3.776 40 0 HHABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1OC ZINC000009903462 557851211 /nfs/dbraw/zinc/85/12/11/557851211.db2.gz RBZDLBLADLUZKC-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)NC(C)C ZINC000010009035 557853352 /nfs/dbraw/zinc/85/33/52/557853352.db2.gz ZZCZISYLWLXCLU-UHFFFAOYSA-N -1 1 416.421 3.653 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3cccc(C)c3)c2)cc1 ZINC000021785964 558448484 /nfs/dbraw/zinc/44/84/84/558448484.db2.gz BPVOTVZVBZTVPM-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM CC(C)OCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022515747 558493895 /nfs/dbraw/zinc/49/38/95/558493895.db2.gz OMTQNSYQRSYBID-UHFFFAOYSA-N -1 1 410.923 3.686 40 0 HHABMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)N1CCCCC1 ZINC000014225832 558638589 /nfs/dbraw/zinc/63/85/89/558638589.db2.gz SABHFJKJCTXEFS-UHFFFAOYSA-N -1 1 423.332 3.876 40 0 HHABMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000031357155 558750289 /nfs/dbraw/zinc/75/02/89/558750289.db2.gz IJETZPATXMFFRJ-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(OC)c1 ZINC000047156152 558841808 /nfs/dbraw/zinc/84/18/08/558841808.db2.gz CCACEDLLYHBFLR-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C ZINC000006471863 559206748 /nfs/dbraw/zinc/20/67/48/559206748.db2.gz FKYHZQWXINFGDV-UHFFFAOYSA-N -1 1 404.271 3.654 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1Cl ZINC000409228772 560698388 /nfs/dbraw/zinc/69/83/88/560698388.db2.gz DWQRZAYQIMCWSX-UHFFFAOYSA-N -1 1 404.271 3.654 40 0 HHABMM CCOc1c(Br)cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1OC ZINC000005644865 560738645 /nfs/dbraw/zinc/73/86/45/560738645.db2.gz WMNJORJOHRILRM-GHXNOFRVSA-N -1 1 414.281 3.501 40 0 HHABMM CCOc1c(Br)cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1OC ZINC000005644865 560738647 /nfs/dbraw/zinc/73/86/47/560738647.db2.gz WMNJORJOHRILRM-GHXNOFRVSA-N -1 1 414.281 3.501 40 0 HHABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010364232 560768500 /nfs/dbraw/zinc/76/85/00/560768500.db2.gz HRDKCZPZQUYUNA-UHFFFAOYSA-N -1 1 424.478 3.916 40 0 HHABMM COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000013567272 560813925 /nfs/dbraw/zinc/81/39/25/560813925.db2.gz CWUDTRLBTFXZDB-MRXNPFEDSA-N -1 1 423.494 3.554 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1 ZINC000223981667 568565150 /nfs/dbraw/zinc/56/51/50/568565150.db2.gz NSGGNFHWRLFTDO-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccccc3)c2C)cc1 ZINC000224080164 568568877 /nfs/dbraw/zinc/56/88/77/568568877.db2.gz QIXKTFMOMINDHW-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCOc1ccccc1 ZINC000224078069 568568970 /nfs/dbraw/zinc/56/89/70/568568970.db2.gz DONMKKZYWYQAEV-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1 ZINC000224097543 568569715 /nfs/dbraw/zinc/56/97/15/568569715.db2.gz WXROVEXXVDJIRK-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)sc(=O)n4C)ccc2c1 ZINC000225070476 568612548 /nfs/dbraw/zinc/61/25/48/568612548.db2.gz XQPYBXYVGHBLLS-UHFFFAOYSA-N -1 1 400.481 3.563 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1Cl ZINC000008336358 569340079 /nfs/dbraw/zinc/34/00/79/569340079.db2.gz CSYIORULYJWYGB-UHFFFAOYSA-N -1 1 404.271 3.654 40 0 HHABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1OC ZINC000010328060 569343730 /nfs/dbraw/zinc/34/37/30/569343730.db2.gz OGEIAMKMCHOIHM-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM O=c1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2Cl)[n-]1 ZINC000008686638 571308103 /nfs/dbraw/zinc/30/81/03/571308103.db2.gz PKLAZZCULBNLKE-UHFFFAOYSA-N -1 1 407.904 3.929 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040400381 525328886 /nfs/dbraw/zinc/32/88/86/525328886.db2.gz KKDQDBHFOJCYEI-MRXNPFEDSA-N -1 1 417.469 3.503 40 0 HHABMM O=C([O-])[C@H]1SC2=NC(=O)SC2[C@@H](c2ccco2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000035053060 557279515 /nfs/dbraw/zinc/27/95/15/557279515.db2.gz VLJQADBFDVUVNF-HUBLWGQQSA-N -1 1 405.428 3.771 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)N1CCCC1 ZINC000408592982 557506772 /nfs/dbraw/zinc/50/67/72/557506772.db2.gz LIGLSLXQJBYTRC-UHFFFAOYSA-N -1 1 423.332 3.794 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)NC(C)C ZINC000408598147 557508379 /nfs/dbraw/zinc/50/83/79/557508379.db2.gz XKRNOAXZXPYNNS-UHFFFAOYSA-N -1 1 411.321 3.697 40 0 HHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC)c2)cc1 ZINC000408601074 557521715 /nfs/dbraw/zinc/52/17/15/557521715.db2.gz FBLQXNRGGDLWKL-UHFFFAOYSA-N -1 1 418.515 3.502 40 0 HHABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c1 ZINC000408625926 557558448 /nfs/dbraw/zinc/55/84/48/557558448.db2.gz UOYJTXNIZKPHDP-UHFFFAOYSA-N -1 1 400.500 3.625 40 0 HHABMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000007230251 557737236 /nfs/dbraw/zinc/73/72/36/557737236.db2.gz ROVDOEJLAJFIQF-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408721707 557768271 /nfs/dbraw/zinc/76/82/71/557768271.db2.gz LJOUYBNNSHLTRF-UHFFFAOYSA-N -1 1 412.854 3.941 40 0 HHABMM CCOc1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000408722435 557769674 /nfs/dbraw/zinc/76/96/74/557769674.db2.gz UFAJTJBWWYEQCO-UHFFFAOYSA-N -1 1 422.462 3.687 40 0 HHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)cc2oc1=O ZINC000019936896 558312319 /nfs/dbraw/zinc/31/23/19/558312319.db2.gz ZKDFLUDOHFSEHA-UHFFFAOYSA-N -1 1 404.341 3.573 40 0 HHABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000020455785 558369557 /nfs/dbraw/zinc/36/95/57/558369557.db2.gz OSVHVFXYXHJJEJ-UHFFFAOYSA-N -1 1 410.495 3.986 40 0 HHABMM CCOc1ccc2nc(Nc3nc(-c4cccc(OC)c4)cc(=O)[n-]3)nc(C)c2c1 ZINC000020634000 558395516 /nfs/dbraw/zinc/39/55/16/558395516.db2.gz IDVRWFGULHQHQP-UHFFFAOYSA-N -1 1 403.442 3.839 40 0 HHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)ccc1OC ZINC000013676747 558564701 /nfs/dbraw/zinc/56/47/01/558564701.db2.gz YCBALVKFLUZWFE-UHFFFAOYSA-N -1 1 410.495 3.913 40 0 HHABMM O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000039768191 558686255 /nfs/dbraw/zinc/68/62/55/558686255.db2.gz ISEAVOCXOWOCJQ-UHFFFAOYSA-N -1 1 400.394 3.947 40 0 HHABMM O=C(Oc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1ccc(Br)cc1 ZINC000083252475 558833147 /nfs/dbraw/zinc/83/31/47/558833147.db2.gz MFIHZJSPDZWLGM-NTEUORMPSA-N -1 1 404.241 3.992 40 0 HHABMM Cc1ccc2cc(C(=O)N[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)[nH]c2c1 ZINC000019221796 558852165 /nfs/dbraw/zinc/85/21/65/558852165.db2.gz WCHJEHMZUYWEKF-OAQYLSRUSA-N -1 1 401.470 3.749 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1OC ZINC000055650898 558883843 /nfs/dbraw/zinc/88/38/43/558883843.db2.gz KVCRCBYUHBLOBX-UHFFFAOYSA-N -1 1 418.515 3.521 40 0 HHABMM CC(C)[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445597 558885787 /nfs/dbraw/zinc/88/57/87/558885787.db2.gz BSHFWUBVIHBFGM-QFIPXVFZSA-N -1 1 402.498 3.838 40 0 HHABMM C[C@]12C[C@H](CC(C)(C)C1)[N@H+]([C@H](C(=O)[O-])c1cn(CC(=O)[O-])c3cc(F)ccc13)C2 ZINC000036353364 558932996 /nfs/dbraw/zinc/93/29/96/558932996.db2.gz KSSPRYIMSPGLPO-DVXDUOKCSA-N -1 1 402.466 3.891 40 0 HHABMM Cc1nnc([N-]c2cccc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)s1 ZINC000072376143 558965315 /nfs/dbraw/zinc/96/53/15/558965315.db2.gz KTKZNZGILCOPIK-UHFFFAOYSA-N -1 1 415.544 3.553 40 0 HHABMM Cc1nn(C)cc1-c1ccc2c(c1)C1(CN2C(=O)c2ccccc2[O-])CCOCC1 ZINC000585105696 559026788 /nfs/dbraw/zinc/02/67/88/559026788.db2.gz DOZSPPPBCGNITH-UHFFFAOYSA-N -1 1 403.482 3.810 40 0 HHABMM COc1ccc2nc(NC(=O)C([O-])=C(C)C(=O)c3ccc(Cl)cc3)sc2c1 ZINC000104274714 559159698 /nfs/dbraw/zinc/15/96/98/559159698.db2.gz AWEHWMYWQWEHAS-SNVBAGLBSA-N -1 1 402.859 3.985 40 0 HHABMM Cc1cc2nc3s/c(=C\c4ccc([O-])c(Br)c4)c(=O)n3c2cc1C ZINC000409389818 560720521 /nfs/dbraw/zinc/72/05/21/560720521.db2.gz CISJOSLGVPSISX-PXNMLYILSA-N -1 1 401.285 3.542 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000008560366 560730737 /nfs/dbraw/zinc/73/07/37/560730737.db2.gz JMHJETOGSXWCDY-UHFFFAOYSA-N -1 1 408.907 3.694 40 0 HHABMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000008033299 560753213 /nfs/dbraw/zinc/75/32/13/560753213.db2.gz UCWAZQCYMWETJA-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)ccc1O ZINC000013567303 560813937 /nfs/dbraw/zinc/81/39/37/560813937.db2.gz DFUJEPMLVWMWFS-HNNXBMFYSA-N -1 1 423.494 3.559 40 0 HHABMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)c1 ZINC000013567421 560814061 /nfs/dbraw/zinc/81/40/61/560814061.db2.gz SYRNCKDBOIPFRL-HNNXBMFYSA-N -1 1 421.478 3.573 40 0 HHABMM O=C([O-])Cc1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000020765387 568458832 /nfs/dbraw/zinc/45/88/32/568458832.db2.gz RYYDPYPKXOJPPS-UHFFFAOYSA-N -1 1 420.288 3.683 40 0 HHABMM COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3ccc(C(=O)[O-])cc3)o2)c1 ZINC000022108564 568475396 /nfs/dbraw/zinc/47/53/96/568475396.db2.gz LHERHTFYBQJPOE-UHFFFAOYSA-N -1 1 423.421 3.508 40 0 HHABMM NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000223299109 568544487 /nfs/dbraw/zinc/54/44/87/568544487.db2.gz FNPFSHGCJDFATM-UHFFFAOYSA-N -1 1 414.508 3.503 40 0 HHABMM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000223635476 568554243 /nfs/dbraw/zinc/55/42/43/568554243.db2.gz CBPFERXJSREBDV-UHFFFAOYSA-N -1 1 412.298 3.971 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cc1 ZINC000223930290 568563357 /nfs/dbraw/zinc/56/33/57/568563357.db2.gz CCTJLSTWFACZFI-UHFFFAOYSA-N -1 1 412.486 3.907 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)COc3ccccc3)c2)cc1 ZINC000223959950 568564571 /nfs/dbraw/zinc/56/45/71/568564571.db2.gz XLLPGCPYIXLATH-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000223981450 568565153 /nfs/dbraw/zinc/56/51/53/568565153.db2.gz POHNAXUOIRBIQP-UHFFFAOYSA-N -1 1 422.506 3.695 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3)cc2)cc1 ZINC000223984491 568565311 /nfs/dbraw/zinc/56/53/11/568565311.db2.gz FTFCFWHCCBQEIP-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccco3)cc2C)cc1 ZINC000224092146 568569451 /nfs/dbraw/zinc/56/94/51/568569451.db2.gz XWWJLCDPVRQQIA-UHFFFAOYSA-N -1 1 414.483 3.670 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)c1 ZINC000224572476 568585839 /nfs/dbraw/zinc/58/58/39/568585839.db2.gz YPKLPPYAMNIDJH-UHFFFAOYSA-N -1 1 414.458 3.952 40 0 HHABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000225076360 568612810 /nfs/dbraw/zinc/61/28/10/568612810.db2.gz KOIKNLRTHRYFIM-UHFFFAOYSA-N -1 1 422.528 3.590 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000033415074 569350542 /nfs/dbraw/zinc/35/05/42/569350542.db2.gz QVQYVUSAFPTTHL-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM C[C@@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000040385605 525535952 /nfs/dbraw/zinc/53/59/52/525535952.db2.gz BJSWUHRJEUOPRM-LLVKDONJSA-N -1 1 411.918 3.876 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1OC ZINC000408595227 557512813 /nfs/dbraw/zinc/51/28/13/557512813.db2.gz UJQMDADZVXVSNY-UHFFFAOYSA-N -1 1 419.503 3.522 40 0 HHABMM O=C1c2ccccc2C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000408721430 557769195 /nfs/dbraw/zinc/76/91/95/557769195.db2.gz HPWLDPORIAGPQS-UHFFFAOYSA-N -1 1 412.854 3.941 40 0 HHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000010112827 557855640 /nfs/dbraw/zinc/85/56/40/557855640.db2.gz UUGYUIYONAMLIW-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000030848483 558739545 /nfs/dbraw/zinc/73/95/45/558739545.db2.gz CJUKDINTDNDMTN-UHFFFAOYSA-N -1 1 420.556 3.844 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1 ZINC000017304747 558826747 /nfs/dbraw/zinc/82/67/47/558826747.db2.gz HXAWGMDZYGCSFP-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM CN(CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000017840710 558828216 /nfs/dbraw/zinc/82/82/16/558828216.db2.gz WLIDOOVUPYYRLA-UHFFFAOYSA-N -1 1 423.538 3.744 40 0 HHABMM Cc1ccc2cc(C(=O)N[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)[nH]c2c1 ZINC000019221798 558852144 /nfs/dbraw/zinc/85/21/44/558852144.db2.gz WCHJEHMZUYWEKF-NRFANRHFSA-N -1 1 401.470 3.749 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000056100965 558884955 /nfs/dbraw/zinc/88/49/55/558884955.db2.gz JNWYXXHEVQQXOY-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2C)cc1C ZINC000409412729 560723015 /nfs/dbraw/zinc/72/30/15/560723015.db2.gz ZSARKPLOZLZYGD-UHFFFAOYSA-N -1 1 409.511 3.738 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCCC1 ZINC000008560364 560730707 /nfs/dbraw/zinc/73/07/07/560730707.db2.gz LGQCCWKFOQOGQH-UHFFFAOYSA-N -1 1 408.907 3.694 40 0 HHABMM Cc1[nH]c2nn(-c3ccccc3)c([O-])c2c(=O)c1Cc1ccc(Br)cc1 ZINC000017088396 560863402 /nfs/dbraw/zinc/86/34/02/560863402.db2.gz PBDNEFVTFDJJNY-UHFFFAOYSA-N -1 1 410.271 3.669 40 0 HHABMM Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c([O-])c1Cc1ccc(Br)cc1 ZINC000017088396 560863404 /nfs/dbraw/zinc/86/34/04/560863404.db2.gz PBDNEFVTFDJJNY-UHFFFAOYSA-N -1 1 410.271 3.669 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3noc(C(C)C)n3)cc2)cc1OC ZINC000222978724 568532868 /nfs/dbraw/zinc/53/28/68/568532868.db2.gz SZJLBTLWUFPYKM-UHFFFAOYSA-N -1 1 417.487 3.602 40 0 HHABMM COc1ccc(C(=O)N2CCc3ccc([N-]S(=O)(=O)c4ccccc4)cc32)cc1 ZINC000222983375 568533216 /nfs/dbraw/zinc/53/32/16/568533216.db2.gz DMHUTIPSBXLHBC-UHFFFAOYSA-N -1 1 408.479 3.699 40 0 HHABMM COC(=O)c1ccc(N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223412282 568548006 /nfs/dbraw/zinc/54/80/06/568548006.db2.gz DACBYTKXRWYEGQ-UHFFFAOYSA-N -1 1 402.516 3.963 40 0 HHABMM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1nc(-c2cccs2)no1 ZINC000223646171 568554653 /nfs/dbraw/zinc/55/46/53/568554653.db2.gz ATBXSDNZWOZFJR-UHFFFAOYSA-N -1 1 404.300 3.725 40 0 HHABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 ZINC000223790776 568559215 /nfs/dbraw/zinc/55/92/15/568559215.db2.gz YIIPKGMVUJBNCA-UHFFFAOYSA-N -1 1 420.556 3.844 40 0 HHABMM CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223916489 568562936 /nfs/dbraw/zinc/56/29/36/568562936.db2.gz JBANGECHXMHMFW-UHFFFAOYSA-N -1 1 424.478 3.916 40 0 HHABMM Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223927920 568563283 /nfs/dbraw/zinc/56/32/83/568563283.db2.gz SYTRCPUPTGPIKW-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cccc(C)c3)cc2)cc1 ZINC000223930245 568563307 /nfs/dbraw/zinc/56/33/07/568563307.db2.gz QXCALDFIFDXBFG-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccc(C(=O)NCCOc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223937945 568563604 /nfs/dbraw/zinc/56/36/04/568563604.db2.gz USDVRJGDLNGIGE-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2C)cc1 ZINC000224011851 568566371 /nfs/dbraw/zinc/56/63/71/568566371.db2.gz FTOCGCGIJZNBPX-MRUHUIDDSA-N -1 1 414.527 3.723 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C(C)C)C(C)C)c2)cc1 ZINC000224039432 568567249 /nfs/dbraw/zinc/56/72/49/568567249.db2.gz ZRDKJVQEMITOJN-UHFFFAOYSA-N -1 1 404.532 3.906 40 0 HHABMM CCOCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224052981 568567913 /nfs/dbraw/zinc/56/79/13/568567913.db2.gz LPTBGBSSVHWXGN-UHFFFAOYSA-N -1 1 410.923 3.606 40 0 HHABMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000224074661 568568731 /nfs/dbraw/zinc/56/87/31/568568731.db2.gz RBHQNSHQYOYZCW-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000224572928 568585733 /nfs/dbraw/zinc/58/57/33/568585733.db2.gz FHMDGNIHBGZKJL-UHFFFAOYSA-N -1 1 414.458 3.952 40 0 HHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2sc1=O ZINC000225686954 568664404 /nfs/dbraw/zinc/66/44/04/568664404.db2.gz RZCVUFTYMLYTHN-UHFFFAOYSA-N -1 1 413.318 3.646 40 0 HHABMM Cc1ccc(C(NCCOCCOCC(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000169723031 569148318 /nfs/dbraw/zinc/14/83/18/569148318.db2.gz FPSCLHPNDAPRAN-UHFFFAOYSA-N -1 1 419.521 3.994 40 0 HHABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000253572672 569318076 /nfs/dbraw/zinc/31/80/76/569318076.db2.gz QLTSFQSGMBTDJL-SJORKVTESA-N -1 1 423.517 3.578 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCCCC1 ZINC000026116151 569350023 /nfs/dbraw/zinc/35/00/23/569350023.db2.gz MNMQWQWBAMWSLA-UHFFFAOYSA-N -1 1 408.520 3.975 40 0 HHABMM Cc1csc([N-]c2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000585292690 571309605 /nfs/dbraw/zinc/30/96/05/571309605.db2.gz QVYYLFFGDJBMJS-QZEKMECESA-N -1 1 405.527 4.405 40 0 HHABMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000019936570 527039146 /nfs/dbraw/zinc/03/91/46/527039146.db2.gz VGRVBJOOCDKKOL-UHFFFAOYSA-N -1 1 406.769 3.605 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCCOC(C)C)ccc1C ZINC000408543972 557360668 /nfs/dbraw/zinc/36/06/68/557360668.db2.gz GKQZUMZHXGTNPW-UHFFFAOYSA-N -1 1 404.532 3.649 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)c2ccccc2O3)cc1 ZINC000005729469 557671637 /nfs/dbraw/zinc/67/16/37/557671637.db2.gz NILJZAXTTNJTDB-UHFFFAOYSA-N -1 1 401.465 3.734 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)cc1 ZINC000015555111 558743710 /nfs/dbraw/zinc/74/37/10/558743710.db2.gz RMELKZLPFRHHAZ-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM O=C(NCCSC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000046457064 558840457 /nfs/dbraw/zinc/84/04/57/558840457.db2.gz QCVRHUAJDRBFAB-UHFFFAOYSA-N -1 1 404.557 3.893 40 0 HHABMM CC(C)[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445595 558885716 /nfs/dbraw/zinc/88/57/16/558885716.db2.gz BSHFWUBVIHBFGM-JOCHJYFZSA-N -1 1 402.498 3.838 40 0 HHABMM COc1cccc(OC)c1CN1CCCC[C@H]1c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019567083 558926509 /nfs/dbraw/zinc/92/65/09/558926509.db2.gz UVTOPXYRIBKDFQ-IBGZPJMESA-N -1 1 406.486 3.989 40 0 HHABMM O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc2ccccc2cc1[O-] ZINC000585111563 559030569 /nfs/dbraw/zinc/03/05/69/559030569.db2.gz WJIJQVGCPFKRAK-HSZRJFAPSA-N -1 1 413.477 3.834 40 0 HHABMM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1)NC1CCCCC1 ZINC000001381467 560583052 /nfs/dbraw/zinc/58/30/52/560583052.db2.gz UFMBMLKWNYOWBF-UHFFFAOYSA-N -1 1 412.487 3.610 40 0 HHABMM CC(C)c1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000004943250 560616046 /nfs/dbraw/zinc/61/60/46/560616046.db2.gz MTEAYAFKAFCFKP-UHFFFAOYSA-N -1 1 404.492 3.887 40 0 HHABMM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(SCc3ccccc3)nc2N1 ZINC000004944461 560616376 /nfs/dbraw/zinc/61/63/76/560616376.db2.gz PGZCTRUBIAHBJB-AWEZNQCLSA-N -1 1 407.451 3.677 40 0 HHABMM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408906260 560651902 /nfs/dbraw/zinc/65/19/02/560651902.db2.gz DSBIQHURIGNYQZ-UHFFFAOYSA-N -1 1 402.497 3.597 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1Cl ZINC000409221164 560698773 /nfs/dbraw/zinc/69/87/73/560698773.db2.gz LVEFNOKMHLHBME-UHFFFAOYSA-N -1 1 404.271 3.654 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2C)c(C)c1 ZINC000409411086 560721491 /nfs/dbraw/zinc/72/14/91/560721491.db2.gz UFRVVRXBGNIEMR-UHFFFAOYSA-N -1 1 409.511 3.738 40 0 HHABMM Cc1cccc(Cc2c(C)[nH]c3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2=O)c1 ZINC000010152745 560764770 /nfs/dbraw/zinc/76/47/70/560764770.db2.gz MYVROPDOLNUGIY-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM Cc1cccc(Cc2c(C)[nH]c3nn(-c4nc5ccccc5s4)c([O-])c3c2=O)c1 ZINC000010152745 560764772 /nfs/dbraw/zinc/76/47/72/560764772.db2.gz MYVROPDOLNUGIY-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM Cc1cccc(Cc2c(C)[nH]c3nn(-c4nc5ccccc5s4)c(=O)c-3c2[O-])c1 ZINC000010152745 560764774 /nfs/dbraw/zinc/76/47/74/560764774.db2.gz MYVROPDOLNUGIY-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(OC)c1 ZINC000013567319 560813957 /nfs/dbraw/zinc/81/39/57/560813957.db2.gz NIKWNDKDSJAHQW-INIZCTEOSA-N -1 1 423.494 3.554 40 0 HHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)ccc1O ZINC000013567304 560813973 /nfs/dbraw/zinc/81/39/73/560813973.db2.gz DFUJEPMLVWMWFS-OAHLLOKOSA-N -1 1 423.494 3.559 40 0 HHABMM O=C1N[C@@H](c2c(F)cccc2Cl)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163853 560893305 /nfs/dbraw/zinc/89/33/05/560893305.db2.gz MQQPRDGKIBHENW-JKIFEVAISA-N -1 1 416.758 3.583 40 0 HHABMM COC(=O)c1ccc(NCc2cccnc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411466 568547822 /nfs/dbraw/zinc/54/78/22/568547822.db2.gz URTIZHJIXZJFIP-UHFFFAOYSA-N -1 1 411.483 3.590 40 0 HHABMM Cc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000223654228 568554989 /nfs/dbraw/zinc/55/49/89/568554989.db2.gz CPNMCUHNIGCNSN-UHFFFAOYSA-N -1 1 412.298 3.971 40 0 HHABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c1 ZINC000223836595 568560480 /nfs/dbraw/zinc/56/04/80/568560480.db2.gz AOMKVAUOYTZVEJ-UHFFFAOYSA-N -1 1 418.696 3.998 40 0 HHABMM Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223927971 568563363 /nfs/dbraw/zinc/56/33/63/568563363.db2.gz SYTRCPUPTGPIKW-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM O=C(NCCCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223970305 568564951 /nfs/dbraw/zinc/56/49/51/568564951.db2.gz IFCZEMGCWHXPQN-UHFFFAOYSA-N -1 1 402.447 3.582 40 0 HHABMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000224977647 568607097 /nfs/dbraw/zinc/60/70/97/568607097.db2.gz PSVNJEKYNACAIP-UHFFFAOYSA-N -1 1 408.907 3.918 40 0 HHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)ccc1C ZINC000225177512 568620752 /nfs/dbraw/zinc/62/07/52/568620752.db2.gz FMZDVFNQHFFCFY-UHFFFAOYSA-N -1 1 420.512 3.540 40 0 HHABMM COc1cc(S(=O)(=O)[N-]c2ccc(I)cc2C)ccc1F ZINC000218902008 569281696 /nfs/dbraw/zinc/28/16/96/569281696.db2.gz KTSUXWDRWIHSQR-UHFFFAOYSA-N -1 1 421.231 3.548 40 0 HHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OC)C(=O)[O-])n2)c1 ZINC000213370250 569356048 /nfs/dbraw/zinc/35/60/48/569356048.db2.gz OSOPNRDJKCREIA-YVLHZVERSA-N -1 1 413.455 3.715 40 0 HHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NC1CCCCC1 ZINC000408593169 557507014 /nfs/dbraw/zinc/50/70/14/557507014.db2.gz PHHQLXJKROQMCF-UHFFFAOYSA-N -1 1 422.934 3.969 40 0 HHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000007708312 557757060 /nfs/dbraw/zinc/75/70/60/557757060.db2.gz OWFZUOHBGVZXIU-UHFFFAOYSA-N -1 1 416.499 3.571 40 0 HHABMM COc1ccc2nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[n-]3)nc(C)c2c1 ZINC000009936693 557852030 /nfs/dbraw/zinc/85/20/30/557852030.db2.gz BWNDYOFJNHSLIK-UHFFFAOYSA-N -1 1 401.470 3.981 40 0 HHABMM Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010113010 557855853 /nfs/dbraw/zinc/85/58/53/557855853.db2.gz NYDJNRDLRSMHRS-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2oc1=O ZINC000019936793 558312225 /nfs/dbraw/zinc/31/22/25/558312225.db2.gz QWIDWXJTLTVNDN-UHFFFAOYSA-N -1 1 424.478 3.994 40 0 HHABMM O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000039767415 558686167 /nfs/dbraw/zinc/68/61/67/558686167.db2.gz HBWABPWHPSJHJO-UHFFFAOYSA-N -1 1 400.394 3.947 40 0 HHABMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCc2ccccc2C1 ZINC000015339339 558734229 /nfs/dbraw/zinc/73/42/29/558734229.db2.gz PCJPXRSIPHMZBV-UHFFFAOYSA-N -1 1 410.470 3.825 40 0 HHABMM O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000017298517 558826587 /nfs/dbraw/zinc/82/65/87/558826587.db2.gz WSIGFUMGGFDFQM-UHFFFAOYSA-N -1 1 412.486 3.989 40 0 HHABMM CC(C)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445591 558885744 /nfs/dbraw/zinc/88/57/44/558885744.db2.gz CRRBGFNVCOWREO-HXUWFJFHSA-N -1 1 405.433 3.579 40 0 HHABMM Cc1nc(-c2ccccc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000019579521 558935059 /nfs/dbraw/zinc/93/50/59/558935059.db2.gz RVBFRRLCWGPWHC-CQSZACIVSA-N -1 1 404.495 3.775 40 0 HHABMM Cc1cccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)[O-])c2)c1 ZINC000013996918 559132604 /nfs/dbraw/zinc/13/26/04/559132604.db2.gz ZHXTWYIDIIVFQM-UHFFFAOYSA-N -1 1 416.480 3.808 40 0 HHABMM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514288659 560034317 /nfs/dbraw/zinc/03/43/17/560034317.db2.gz JYZAMTAOORLKMR-HOTGVXAUSA-N -1 1 401.482 3.764 40 0 biogenic,in-vitro HHABMM COc1ccc2nc(C[C@H]3CN(C(=O)C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288374 560035220 /nfs/dbraw/zinc/03/52/20/560035220.db2.gz BPXDVZVIYXGJNZ-IRXDYDNUSA-N -1 1 413.518 3.634 40 0 biogenic,in-vitro HHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1O ZINC000004944399 560616419 /nfs/dbraw/zinc/61/64/19/560616419.db2.gz BTHQINPVTBCCTI-CQSZACIVSA-N -1 1 409.467 3.663 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c(C)c1 ZINC000409409447 560722804 /nfs/dbraw/zinc/72/28/04/560722804.db2.gz PAQPMLSPVAQEMM-UHFFFAOYSA-N -1 1 418.559 3.958 40 0 HHABMM COC(=O)c1ccc(-c2ccc(CNn3c(=S)[n-]nc3-c3ccncc3)o2)cc1 ZINC000008378285 560754554 /nfs/dbraw/zinc/75/45/54/560754554.db2.gz ATMVJVKHLKHQAQ-UHFFFAOYSA-N -1 1 407.455 3.793 40 0 HHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1O ZINC000013567306 560813954 /nfs/dbraw/zinc/81/39/54/560813954.db2.gz ZVPHFTRNBMVFHS-OAHLLOKOSA-N -1 1 423.494 3.559 40 0 HHABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Br)c1OC ZINC000022111151 568475544 /nfs/dbraw/zinc/47/55/44/568475544.db2.gz ONBVNHFFFFYXEW-UHFFFAOYSA-N -1 1 422.308 3.526 40 0 HHABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc2oc1=O ZINC000223355428 568546242 /nfs/dbraw/zinc/54/62/42/568546242.db2.gz NQORJRQTJSRACB-UHFFFAOYSA-N -1 1 400.378 3.742 40 0 HHABMM CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000223856631 568561094 /nfs/dbraw/zinc/56/10/94/568561094.db2.gz WCGKIZNLIWVHED-UHFFFAOYSA-N -1 1 420.541 3.622 40 0 HHABMM COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223927318 568563210 /nfs/dbraw/zinc/56/32/10/568563210.db2.gz CWXPRLNSXQKUQK-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM C[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223930252 568563247 /nfs/dbraw/zinc/56/32/47/568563247.db2.gz YJSBQJRYUJIFBP-QGZVFWFLSA-N -1 1 410.495 3.685 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSC(C)(C)C)c2)cc1 ZINC000224040349 568567350 /nfs/dbraw/zinc/56/73/50/568567350.db2.gz MUAFUOOJPCNJJW-UHFFFAOYSA-N -1 1 422.572 3.758 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOCc3ccccc3)c2)cc1 ZINC000224075241 568568662 /nfs/dbraw/zinc/56/86/62/568568662.db2.gz YZNIENKESVEKGS-UHFFFAOYSA-N -1 1 424.522 3.742 40 0 HHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCc1ccc(F)cc1 ZINC000224078608 568568940 /nfs/dbraw/zinc/56/89/40/568568940.db2.gz HFMZAVUHXZIJPY-UHFFFAOYSA-N -1 1 412.486 3.907 40 0 HHABMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224087788 568569298 /nfs/dbraw/zinc/56/92/98/568569298.db2.gz LHWOBVOZRWPFRT-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)ccc1Cl ZINC000225175288 568620611 /nfs/dbraw/zinc/62/06/11/568620611.db2.gz GZIWJCBGXYNWKG-UHFFFAOYSA-N -1 1 416.886 3.913 40 0 HHABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2sc1=O ZINC000225686922 568664379 /nfs/dbraw/zinc/66/43/79/568664379.db2.gz BYSMAFPSXPLNPV-UHFFFAOYSA-N -1 1 413.318 3.646 40 0 HHABMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000006362107 569331706 /nfs/dbraw/zinc/33/17/06/569331706.db2.gz CKGZJDJOVVPEDC-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314605 569343390 /nfs/dbraw/zinc/34/33/90/569343390.db2.gz PKEVPSKCWWGIIN-UHFFFAOYSA-N -1 1 410.451 3.526 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010331298 569343792 /nfs/dbraw/zinc/34/37/92/569343792.db2.gz DXHWOABKENLUAW-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040400371 525329861 /nfs/dbraw/zinc/32/98/61/525329861.db2.gz GLVQEKCZDCYACI-KRWDZBQOSA-N -1 1 417.469 3.503 40 0 HHABMM CC(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408534460 557321307 /nfs/dbraw/zinc/32/13/07/557321307.db2.gz SLKSQTPTVGWLJK-UHFFFAOYSA-N -1 1 417.314 3.698 40 0 HHABMM O=C([O-])C1(c2ccccc2)CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000408545889 557376123 /nfs/dbraw/zinc/37/61/23/557376123.db2.gz BCFHPGGYXHWDJG-UHFFFAOYSA-N -1 1 406.404 3.762 40 0 HHABMM CC(C)CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408589922 557495957 /nfs/dbraw/zinc/49/59/57/557495957.db2.gz IHHJEEHWGIJZDA-UHFFFAOYSA-N -1 1 410.923 3.682 40 0 HHABMM COc1ccc(Cl)cc1C(=O)N1CCN([C@@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408613197 557531238 /nfs/dbraw/zinc/53/12/38/557531238.db2.gz XXJJJECKPCWLPY-IBGZPJMESA-N -1 1 416.905 3.713 40 0 HHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1C ZINC000408619716 557555565 /nfs/dbraw/zinc/55/55/65/557555565.db2.gz IQYZRVVSVKWFKO-UHFFFAOYSA-N -1 1 400.422 3.954 40 0 HHABMM CCCc1nnc2sc(-c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)nn12 ZINC000020609680 558389763 /nfs/dbraw/zinc/38/97/63/558389763.db2.gz DETUNSIOOJVNPF-UHFFFAOYSA-N -1 1 413.528 3.915 40 0 HHABMM Cc1cc(C(=O)N2CCc3ccccc3C2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013680066 558566196 /nfs/dbraw/zinc/56/61/96/558566196.db2.gz AUOMXEOSDYJCDQ-UHFFFAOYSA-N -1 1 406.507 3.994 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000015267476 558729917 /nfs/dbraw/zinc/72/99/17/558729917.db2.gz XRHCQNXMJUSJSM-UHFFFAOYSA-N -1 1 410.451 3.777 40 0 HHABMM CCOC(=O)C(Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)=C(C)[O-] ZINC000016682130 558799520 /nfs/dbraw/zinc/79/95/20/558799520.db2.gz AYEFHWGPGBBFMZ-OAHLLOKOSA-N -1 1 401.362 3.595 40 0 HHABMM O=C(c1ccccc1-c1ccccc1)N1CCc2nc(N3CCCCC3)[n-]c(=O)c2C1 ZINC000019374245 558881149 /nfs/dbraw/zinc/88/11/49/558881149.db2.gz IJSJIKYJPHFCNO-UHFFFAOYSA-N -1 1 414.509 3.626 40 0 HHABMM COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c1OC ZINC000019567870 558927014 /nfs/dbraw/zinc/92/70/14/558927014.db2.gz PTXBLHZMOWKPON-LJQANCHMSA-N -1 1 406.486 3.989 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c1 ZINC000000916421 560550070 /nfs/dbraw/zinc/55/00/70/560550070.db2.gz NVZKNXDTFKJNCD-OAQYLSRUSA-N -1 1 424.478 3.574 40 0 HHABMM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1)Nc1ccc(F)cc1 ZINC000001371463 560577899 /nfs/dbraw/zinc/57/78/99/560577899.db2.gz QMJHBEVDMMYZCP-UHFFFAOYSA-N -1 1 424.429 3.939 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000008560380 560730813 /nfs/dbraw/zinc/73/08/13/560730813.db2.gz ZQDZMTDPJSGSAC-UHFFFAOYSA-N -1 1 412.870 3.525 40 0 HHABMM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000006368666 560741336 /nfs/dbraw/zinc/74/13/36/560741336.db2.gz MSARMTVKLDECGB-UHFFFAOYSA-N -1 1 412.467 3.514 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585895 560817233 /nfs/dbraw/zinc/81/72/33/560817233.db2.gz GYSYSYYHGYQSET-UHFFFAOYSA-N -1 1 418.540 3.760 40 0 HHABMM Cc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000223645674 568554699 /nfs/dbraw/zinc/55/46/99/568554699.db2.gz WPICWDSFJSALMU-UHFFFAOYSA-N -1 1 412.298 3.971 40 0 HHABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 ZINC000223721771 568557376 /nfs/dbraw/zinc/55/73/76/568557376.db2.gz TYGNXSCAXUCKOB-UHFFFAOYSA-N -1 1 422.528 3.590 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)COc3ccccc3)cc2)cc1 ZINC000223972377 568564859 /nfs/dbraw/zinc/56/48/59/568564859.db2.gz MSXQGYZTFHUZDI-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1 ZINC000224084440 568569211 /nfs/dbraw/zinc/56/92/11/568569211.db2.gz UZDGORZHZRKCEN-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000261141626 568928766 /nfs/dbraw/zinc/92/87/66/568928766.db2.gz NEIMGUMPOQWCKI-UHFFFAOYSA-N -1 1 412.854 3.941 40 0 HHABMM COc1ccccc1CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314575 569343448 /nfs/dbraw/zinc/34/34/48/569343448.db2.gz UEDOOQAVABIYMY-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000026115754 569349919 /nfs/dbraw/zinc/34/99/19/569349919.db2.gz RGRTYUMNJYNTED-UHFFFAOYSA-N -1 1 420.556 3.844 40 0 HHABMM CC[C@@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCCC[C@@H]32)C(=O)[N-]C1=S ZINC000008997607 132334819 /nfs/dbraw/zinc/33/48/19/132334819.db2.gz FAXHGYNNSDBMHI-QKAVXHIFSA-N -1 1 419.978 3.673 40 0 HHABMM CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399197 519837595 /nfs/dbraw/zinc/83/75/95/519837595.db2.gz JUSKINDASLRPAK-QGZVFWFLSA-N -1 1 417.469 3.701 40 0 HHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000408564048 557470780 /nfs/dbraw/zinc/47/07/80/557470780.db2.gz XGECNOTXJZDKAO-UHFFFAOYSA-N -1 1 419.503 3.538 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 ZINC000408586670 557492892 /nfs/dbraw/zinc/49/28/92/557492892.db2.gz BIZILPIANBCFSD-UHFFFAOYSA-N -1 1 412.467 3.514 40 0 HHABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1C ZINC000408600341 557510748 /nfs/dbraw/zinc/51/07/48/557510748.db2.gz AGHJHDPPNOZGBK-UHFFFAOYSA-N -1 1 406.813 3.828 40 0 HHABMM Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013678139 558565108 /nfs/dbraw/zinc/56/51/08/558565108.db2.gz RQHSUKWPFFCZRF-UHFFFAOYSA-N -1 1 410.451 3.777 40 0 HHABMM O=C(NCCSC1CCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046457063 558840398 /nfs/dbraw/zinc/84/03/98/558840398.db2.gz XRDGUVFTLXZYLQ-UHFFFAOYSA-N -1 1 404.557 3.893 40 0 HHABMM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c(OC)c1 ZINC000019552319 558915835 /nfs/dbraw/zinc/91/58/35/558915835.db2.gz PLALAACMFLPRQF-HXUWFJFHSA-N -1 1 406.486 3.989 40 0 HHABMM O=C1N[C@@H](c2cccs2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000001143845 560571761 /nfs/dbraw/zinc/57/17/61/560571761.db2.gz FPEQHSJHBCNENB-TYNCELHUSA-N -1 1 404.797 3.505 40 0 HHABMM CC(C)(C)c1csc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)n1 ZINC000005021685 560623717 /nfs/dbraw/zinc/62/37/17/560623717.db2.gz XMXOUGCBZKFDKA-UHFFFAOYSA-N -1 1 400.529 3.922 40 0 HHABMM COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)c(Br)c1[O-] ZINC000408815841 560644471 /nfs/dbraw/zinc/64/44/71/560644471.db2.gz VFVSPTAHORFZCC-DAXSKMNVSA-N -1 1 423.082 3.592 40 0 HHABMM Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409409862 560721172 /nfs/dbraw/zinc/72/11/72/560721172.db2.gz JQJYUTGNVBTMEG-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)N1CCCCC1 ZINC000007361461 560750495 /nfs/dbraw/zinc/75/04/95/560750495.db2.gz RPXSUKIRRYOHDK-UHFFFAOYSA-N -1 1 402.516 3.739 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010314504 560767391 /nfs/dbraw/zinc/76/73/91/560767391.db2.gz VAJBMXJLIRXYCA-UHFFFAOYSA-N -1 1 410.451 3.526 40 0 HHABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000223309849 568544705 /nfs/dbraw/zinc/54/47/05/568544705.db2.gz MIZXFSOCKAWWKG-UHFFFAOYSA-N -1 1 420.840 3.838 40 0 HHABMM CCN(CC)c1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223427259 568548678 /nfs/dbraw/zinc/54/86/78/568548678.db2.gz PNPLZTIZNMFLRG-UHFFFAOYSA-N -1 1 420.531 3.907 40 0 HHABMM CSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000223682763 568556105 /nfs/dbraw/zinc/55/61/05/568556105.db2.gz XUHBAIANPRDYOH-UHFFFAOYSA-N -1 1 420.541 3.622 40 0 HHABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c1 ZINC000223792741 568559316 /nfs/dbraw/zinc/55/93/16/568559316.db2.gz LTCXSBITGXNPGU-UHFFFAOYSA-N -1 1 404.669 3.690 40 0 HHABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)c1 ZINC000223795275 568559428 /nfs/dbraw/zinc/55/94/28/568559428.db2.gz GWSHHJRVPTUTLR-UHFFFAOYSA-N -1 1 411.479 3.896 40 0 HHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)ccc1Cl ZINC000223828492 568560083 /nfs/dbraw/zinc/56/00/83/568560083.db2.gz IDKAOIVHDMFVBW-UHFFFAOYSA-N -1 1 418.696 3.998 40 0 HHABMM O=C(NCCSCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223919452 568562876 /nfs/dbraw/zinc/56/28/76/568562876.db2.gz SYVCGFAVHGASLN-UHFFFAOYSA-N -1 1 416.524 3.744 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C(C)C)C(C)C)cc2)cc1 ZINC000223982311 568565258 /nfs/dbraw/zinc/56/52/58/568565258.db2.gz JFVHIOISIJZROI-UHFFFAOYSA-N -1 1 404.532 3.906 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)C)c(Cl)c2)cc1 ZINC000224024299 568566742 /nfs/dbraw/zinc/56/67/42/568566742.db2.gz YOFKHYJSEDYODP-UHFFFAOYSA-N -1 1 410.923 3.925 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)COc3ccccc3)c2)cc1 ZINC000224027235 568566885 /nfs/dbraw/zinc/56/68/85/568566885.db2.gz TVJFPNIGEQHKAO-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1 ZINC000224071063 568568463 /nfs/dbraw/zinc/56/84/63/568568463.db2.gz MZGAKERMFLJWTA-UHFFFAOYSA-N -1 1 420.874 3.672 40 0 HHABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)ccc1OC ZINC000224221610 568574227 /nfs/dbraw/zinc/57/42/27/568574227.db2.gz OTCHQPQZLYRGDV-UHFFFAOYSA-N -1 1 410.451 3.755 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1C ZINC000225061946 568611707 /nfs/dbraw/zinc/61/17/07/568611707.db2.gz KPLJBMYXGLUIPK-UHFFFAOYSA-N -1 1 402.516 3.739 40 0 HHABMM CCc1nnc(S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)[O-])o1 ZINC000007342650 569337081 /nfs/dbraw/zinc/33/70/81/569337081.db2.gz QCMCPVMPJIDONP-WTKPLQERSA-N -1 1 405.657 3.971 40 0 HHABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000007363439 569337469 /nfs/dbraw/zinc/33/74/69/569337469.db2.gz DCIJIJKJCUHRNC-UHFFFAOYSA-N -1 1 416.543 3.931 40 0 HHABMM COc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1 ZINC000213370425 569356077 /nfs/dbraw/zinc/35/60/77/569356077.db2.gz KKKQLNUIKUMNLT-IUXPMGMMSA-N -1 1 413.455 3.715 40 0 HHABMM Cc1cccc(C)c1NC(=S)c1c(N)nc(N2c3ccccc3C[C@@H]2C)[n-]c1=O ZINC000040385623 524299356 /nfs/dbraw/zinc/29/93/56/524299356.db2.gz YAVPKABVRZNRKM-AWEZNQCLSA-N -1 1 405.527 3.839 40 0 HHABMM O=C1N[C@@H](c2ccc(F)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163734 557522466 /nfs/dbraw/zinc/52/24/66/557522466.db2.gz DJBWFJHVCRDNDT-ZQIUZPCESA-N -1 1 416.758 3.583 40 0 HHABMM COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000008033435 557770769 /nfs/dbraw/zinc/77/07/69/557770769.db2.gz HVSHRMTYSUUPHE-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000010329767 557860587 /nfs/dbraw/zinc/86/05/87/557860587.db2.gz UVMSFAGZYDJJBR-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000010336474 557861198 /nfs/dbraw/zinc/86/11/98/557861198.db2.gz RDAZDQIXUYDIDI-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445593 558885783 /nfs/dbraw/zinc/88/57/83/558885783.db2.gz CRRBGFNVCOWREO-FQEVSTJZSA-N -1 1 405.433 3.579 40 0 HHABMM COc1ccccc1CN[C@H](c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1)C(C)C ZINC000100769456 559140182 /nfs/dbraw/zinc/14/01/82/559140182.db2.gz WERSGTBCFSIPNN-QHCPKHFHSA-N -1 1 410.518 3.824 40 0 HHABMM COc1ccc2nc(C[C@H]3CN(C(=O)Nc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288607 560034695 /nfs/dbraw/zinc/03/46/95/560034695.db2.gz JBMNMOLXHLJQAT-HOTGVXAUSA-N -1 1 422.485 3.759 40 0 biogenic,in-vitro HHABMM O=C1N[C@@H](c2ccccc2F)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000001155319 560571707 /nfs/dbraw/zinc/57/17/07/560571707.db2.gz KHYAUCQBMIYWPD-JKIFEVAISA-N -1 1 416.758 3.583 40 0 HHABMM CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000408819759 560645375 /nfs/dbraw/zinc/64/53/75/560645375.db2.gz RSPIFEUOQKOEDZ-MRXNPFEDSA-N -1 1 420.874 3.654 40 0 HHABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000408909678 560652937 /nfs/dbraw/zinc/65/29/37/560652937.db2.gz HTIAZFZATJOHJQ-UHFFFAOYSA-N -1 1 424.450 3.566 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)N1CCCC1 ZINC000008560362 560730739 /nfs/dbraw/zinc/73/07/39/560730739.db2.gz PKOQUTVMDYBWFY-UHFFFAOYSA-N -1 1 408.907 3.694 40 0 HHABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000007361472 560750416 /nfs/dbraw/zinc/75/04/16/560750416.db2.gz RSZARKWZCUOKQV-UHFFFAOYSA-N -1 1 402.516 3.685 40 0 HHABMM CCOc1ccc2nc(Nc3nc(CSc4ccccn4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939027 560760788 /nfs/dbraw/zinc/76/07/88/560760788.db2.gz DSOQHPZJDIXMAG-UHFFFAOYSA-N -1 1 420.498 3.851 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585893 560817241 /nfs/dbraw/zinc/81/72/41/560817241.db2.gz FTJXKPCOMLHKND-UHFFFAOYSA-N -1 1 418.540 3.760 40 0 HHABMM O=C1N[C@@H](c2c(F)cccc2Cl)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000016805348 560861576 /nfs/dbraw/zinc/86/15/76/560861576.db2.gz MQQPRDGKIBHENW-KEYYUXOJSA-N -1 1 416.758 3.583 40 0 HHABMM Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223928112 568563254 /nfs/dbraw/zinc/56/32/54/568563254.db2.gz UCIRLYBCZLWSNE-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000223929348 568563347 /nfs/dbraw/zinc/56/33/47/568563347.db2.gz JATONVIPHMCVPU-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC000223934738 568563394 /nfs/dbraw/zinc/56/33/94/568563394.db2.gz POGFMJGCIWYCGA-UHFFFAOYSA-N -1 1 406.507 3.994 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223933609 568563491 /nfs/dbraw/zinc/56/34/91/568563491.db2.gz QIRUOVVGOCGFKC-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000223938082 568563579 /nfs/dbraw/zinc/56/35/79/568563579.db2.gz REUVZURUVPNLAP-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM C[C@@H](COc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223971385 568564976 /nfs/dbraw/zinc/56/49/76/568564976.db2.gz UJOLRRNHVPXQQB-KRWDZBQOSA-N -1 1 410.495 3.685 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000224043024 568567533 /nfs/dbraw/zinc/56/75/33/568567533.db2.gz RSHGUCWAGFRESC-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1NC(=O)C(C)C ZINC000225389435 568633441 /nfs/dbraw/zinc/63/34/41/568633441.db2.gz PPVCIQBBFWNEAS-UHFFFAOYSA-N -1 1 421.544 3.762 40 0 HHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc2sc1=O ZINC000225691364 568664845 /nfs/dbraw/zinc/66/48/45/568664845.db2.gz SJVILYSPDORPHV-UHFFFAOYSA-N -1 1 402.419 3.903 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(C)=O ZINC000225878437 568683068 /nfs/dbraw/zinc/68/30/68/568683068.db2.gz KTYQGGXZFJDMOJ-UHFFFAOYSA-N -1 1 415.334 3.930 40 0 HHABMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CNc1cc[nH+]cc1 ZINC000001103293 557179719 /nfs/dbraw/zinc/17/97/19/557179719.db2.gz KWEKHEFJSXTKGY-UHFFFAOYSA-N -1 1 404.264 3.830 40 0 HHABMM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408535329 557331148 /nfs/dbraw/zinc/33/11/48/557331148.db2.gz VYGDUWHQMZWWGZ-UHFFFAOYSA-N -1 1 417.314 3.699 40 0 HHABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(C)=O ZINC000408556506 557453013 /nfs/dbraw/zinc/45/30/13/557453013.db2.gz DFHZJTKYPQBONH-UHFFFAOYSA-N -1 1 402.394 3.863 40 0 HHABMM O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000408609058 557532474 /nfs/dbraw/zinc/53/24/74/557532474.db2.gz NQZRDQCLZOOLJG-LFCNWEHWSA-N -1 1 410.558 3.953 40 0 HHABMM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Br ZINC000007708543 557757226 /nfs/dbraw/zinc/75/72/26/557757226.db2.gz HDOLSQKDYKKUJB-UHFFFAOYSA-N -1 1 409.305 3.685 40 0 HHABMM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)[N-]c3ccccc3)cc1)C2=O ZINC000408721417 557769220 /nfs/dbraw/zinc/76/92/20/557769220.db2.gz GZQDJNDBLKHVEL-PGRDOPGGSA-N -1 1 412.511 3.803 40 0 HHABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000011582498 558264304 /nfs/dbraw/zinc/26/43/04/558264304.db2.gz VGAJYRKEVKPHAO-FSSWDIPSSA-N -1 1 400.434 3.746 40 0 HHABMM CCOc1cccc2c(C)nc(Nc3nc(-c4ccc(OC)cc4)cc(=O)[n-]3)nc12 ZINC000020633980 558395425 /nfs/dbraw/zinc/39/54/25/558395425.db2.gz LZMQVSOAYVEPNZ-UHFFFAOYSA-N -1 1 403.442 3.839 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)NC(C)C ZINC000013681704 558566766 /nfs/dbraw/zinc/56/67/66/558566766.db2.gz XRAGKHOIYDFSDY-UHFFFAOYSA-N -1 1 417.314 3.941 40 0 HHABMM C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000038386461 558811295 /nfs/dbraw/zinc/81/12/95/558811295.db2.gz UXCGFUMFNJHZNH-UHFFFAOYSA-N -1 1 400.331 3.546 40 0 HHABMM C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+]([C@H](C(=O)[O-])c1cn(CC(=O)[O-])c3cc(F)ccc13)C2 ZINC000036353366 558933015 /nfs/dbraw/zinc/93/30/15/558933015.db2.gz KSSPRYIMSPGLPO-YFYZNPQRSA-N -1 1 402.466 3.891 40 0 HHABMM CC(C)Oc1ccc(CN[C@@H](C)c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)cc1 ZINC000100769428 559140220 /nfs/dbraw/zinc/14/02/20/559140220.db2.gz LMIZSVISGSPKCR-INIZCTEOSA-N -1 1 410.518 3.967 40 0 HHABMM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006269950 560740785 /nfs/dbraw/zinc/74/07/85/560740785.db2.gz SYRCKFRFNQPTOD-UHFFFAOYSA-N -1 1 412.467 3.514 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010314725 560767422 /nfs/dbraw/zinc/76/74/22/560767422.db2.gz JHCXABPCCBQNDP-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)ccc1O ZINC000013567408 560813884 /nfs/dbraw/zinc/81/38/84/560813884.db2.gz FYCSRCOKIOUKJT-OAHLLOKOSA-N -1 1 423.494 3.559 40 0 HHABMM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1)Nc1ccccc1F ZINC000015935984 560857535 /nfs/dbraw/zinc/85/75/35/560857535.db2.gz OITMWHIHBBQUSF-UHFFFAOYSA-N -1 1 424.429 3.939 40 0 HHABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)oc(=O)n2C ZINC000223336146 568545602 /nfs/dbraw/zinc/54/56/02/568545602.db2.gz UTRNQJCQQLJNPM-UHFFFAOYSA-N -1 1 420.796 3.913 40 0 HHABMM O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223920161 568563071 /nfs/dbraw/zinc/56/30/71/568563071.db2.gz NEFOVFNJXVTPJP-UHFFFAOYSA-N -1 1 410.451 3.511 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223934339 568563493 /nfs/dbraw/zinc/56/34/93/568563493.db2.gz BGZJFJFAIHUMSD-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)cc2)cc1 ZINC000223981606 568565122 /nfs/dbraw/zinc/56/51/22/568565122.db2.gz IIRAQJIPBSMVBX-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCC3)cc2)cc1 ZINC000223983113 568565252 /nfs/dbraw/zinc/56/52/52/568565252.db2.gz VDSHZCUKZSNSNT-UHFFFAOYSA-N -1 1 402.516 3.949 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000223994286 568565661 /nfs/dbraw/zinc/56/56/61/568565661.db2.gz GGHSGUJRDXKQAS-UHFFFAOYSA-N -1 1 402.497 3.732 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000224042731 568567503 /nfs/dbraw/zinc/56/75/03/568567503.db2.gz ZFCBCDMPFYBDBA-UHFFFAOYSA-N -1 1 408.479 3.699 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000224542297 568584392 /nfs/dbraw/zinc/58/43/92/568584392.db2.gz AQCYLCBKWHTROY-OAQYLSRUSA-N -1 1 424.478 3.574 40 0 HHABMM CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cccc([O-])c1Cl ZINC000261361793 568819283 /nfs/dbraw/zinc/81/92/83/568819283.db2.gz AYUYPTSWMSEXIF-KRWDZBQOSA-O -1 1 401.899 3.970 40 0 HHABMM CN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)[N-]C1=S ZINC000006949790 569335518 /nfs/dbraw/zinc/33/55/18/569335518.db2.gz MJMRDORIBYSVKJ-YBEGLDIGSA-N -1 1 409.898 3.600 40 0 HHABMM Cc1nc(SCC(=O)N2CCCc3ccccc32)[n-]c(=O)c1Cc1ccccc1 ZINC000010382499 132247643 /nfs/dbraw/zinc/24/76/43/132247643.db2.gz BHMRTNGVIQDGAK-UHFFFAOYSA-N -1 1 405.523 3.741 40 0 HHABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1OC ZINC000408588065 557491680 /nfs/dbraw/zinc/49/16/80/557491680.db2.gz WWRQBWLPFLMSOK-UHFFFAOYSA-N -1 1 402.831 3.857 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000005598765 557664553 /nfs/dbraw/zinc/66/45/53/557664553.db2.gz IQQRMWNEJOHQFX-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000010112755 557855648 /nfs/dbraw/zinc/85/56/48/557855648.db2.gz PVWQXVHSRLFKFY-UHFFFAOYSA-N -1 1 406.507 3.994 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)NC(C)C ZINC000013679865 558565969 /nfs/dbraw/zinc/56/59/69/558565969.db2.gz NQXOWCLVNZVTCA-UHFFFAOYSA-N -1 1 416.421 3.653 40 0 HHABMM O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000039759198 558689593 /nfs/dbraw/zinc/68/95/93/558689593.db2.gz UPBIETZAKYQORE-UHFFFAOYSA-N -1 1 400.394 3.947 40 0 HHABMM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)N1 ZINC000015012711 558701045 /nfs/dbraw/zinc/70/10/45/558701045.db2.gz GGNFYUZSSJDACD-ZSOIEALJSA-N -1 1 407.651 3.862 40 0 HHABMM CCOc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000030758911 558737904 /nfs/dbraw/zinc/73/79/04/558737904.db2.gz OESRELNCLWSOSA-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM COc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000030851098 558739942 /nfs/dbraw/zinc/73/99/42/558739942.db2.gz NRRRPYUBOJJMKX-INIZCTEOSA-N -1 1 410.495 3.987 40 0 HHABMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013751306 558864445 /nfs/dbraw/zinc/86/44/45/558864445.db2.gz KERNKEUSBXMSQX-FSSWDIPSSA-N -1 1 400.434 3.746 40 0 HHABMM COc1cc([C@@H](c2c([O-])c3ccccc3oc2=O)N2CCCC2)cc(OC)c1OC ZINC000104241878 559159385 /nfs/dbraw/zinc/15/93/85/559159385.db2.gz XQYQKPOXYGXFIH-FQEVSTJZSA-N -1 1 411.454 3.710 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000007360843 560750509 /nfs/dbraw/zinc/75/05/09/560750509.db2.gz UQFLQNZQILOWLK-UHFFFAOYSA-N -1 1 418.515 3.521 40 0 HHABMM CCOc1cccc2c(C)nc(Nc3nc(CSc4ccccn4)cc(=O)[n-]3)nc12 ZINC000009939055 560760812 /nfs/dbraw/zinc/76/08/12/560760812.db2.gz TYJDNOZJAOLHAG-UHFFFAOYSA-N -1 1 420.498 3.851 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCOC(C)C)c2C)cc1 ZINC000010314595 560767372 /nfs/dbraw/zinc/76/73/72/560767372.db2.gz YVBGBYQUOOGIHO-UHFFFAOYSA-N -1 1 404.532 3.649 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585901 560817280 /nfs/dbraw/zinc/81/72/80/560817280.db2.gz VPJPECHKKKDPJP-UHFFFAOYSA-N -1 1 418.540 3.760 40 0 HHABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nc(-c2cccs2)no1 ZINC000223654698 568555161 /nfs/dbraw/zinc/55/51/61/568555161.db2.gz LGDCGQALAJCQSA-UHFFFAOYSA-N -1 1 404.300 3.725 40 0 HHABMM COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223925680 568563167 /nfs/dbraw/zinc/56/31/67/568563167.db2.gz VSEFIXDHDKZMAY-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224017972 568566561 /nfs/dbraw/zinc/56/65/61/568566561.db2.gz GHCPJSVDPRBWIF-UHFFFAOYSA-N -1 1 417.314 3.561 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000224038401 568567318 /nfs/dbraw/zinc/56/73/18/568567318.db2.gz BTGUWFZJRIEUSQ-UHFFFAOYSA-N -1 1 422.506 3.695 40 0 HHABMM Cc1ccc(C(=O)NCCOCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224083582 568569072 /nfs/dbraw/zinc/56/90/72/568569072.db2.gz PRGFCYGPWJXWPW-UHFFFAOYSA-N -1 1 424.522 3.742 40 0 HHABMM CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000224174159 568572463 /nfs/dbraw/zinc/57/24/63/568572463.db2.gz QHEMIIAFGFDCSV-UHFFFAOYSA-N -1 1 400.500 3.574 40 0 HHABMM O=S(=O)(Cc1ccccc1F)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000224548875 568584536 /nfs/dbraw/zinc/58/45/36/568584536.db2.gz WBECHUZIJVKTCQ-UHFFFAOYSA-N -1 1 420.487 3.568 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1OC ZINC000224818049 568598516 /nfs/dbraw/zinc/59/85/16/568598516.db2.gz WNMFAVCGENZQGH-UHFFFAOYSA-N -1 1 424.544 3.821 40 0 HHABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cc4ccncc4)cc3)ccc21 ZINC000225174708 568620329 /nfs/dbraw/zinc/62/03/29/568620329.db2.gz HKEUGPLBMIYKIJ-UHFFFAOYSA-N -1 1 421.522 3.772 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCC(C)CC3)cc2)cc1 ZINC000033716914 569351150 /nfs/dbraw/zinc/35/11/50/569351150.db2.gz XAUDZAKYNSWZIZ-UHFFFAOYSA-N -1 1 400.544 3.987 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCN(C)c3ccccc3)c2)cc1 ZINC000028719039 571037633 /nfs/dbraw/zinc/03/76/33/571037633.db2.gz VWUOHDJKWKWCAR-UHFFFAOYSA-N -1 1 423.538 3.662 40 0 HHABMM Cc1csc([N-]c2nccnc2[C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000585292688 571309633 /nfs/dbraw/zinc/30/96/33/571309633.db2.gz QVYYLFFGDJBMJS-BBVFFXRHSA-N -1 1 405.527 4.405 40 0 HHABMM CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399198 519837682 /nfs/dbraw/zinc/83/76/82/519837682.db2.gz JUSKINDASLRPAK-KRWDZBQOSA-N -1 1 417.469 3.701 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)c(Cl)c2)cc1 ZINC000044903983 525599631 /nfs/dbraw/zinc/59/96/31/525599631.db2.gz PBRRBILONHSINS-UHFFFAOYSA-N -1 1 404.875 3.972 40 0 HHABMM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccn1 ZINC000004092499 557512797 /nfs/dbraw/zinc/51/27/97/557512797.db2.gz MJQGWYFYAQTZTH-NJDAHSKKSA-N -1 1 403.413 3.580 40 0 HHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 ZINC000408606440 557518560 /nfs/dbraw/zinc/51/85/60/557518560.db2.gz LZXRQOKSLLFMDE-UHFFFAOYSA-N -1 1 404.488 3.711 40 0 HHABMM O=C1N[C@@H](c2cccs2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004144250 557519869 /nfs/dbraw/zinc/51/98/69/557519869.db2.gz FPEQHSJHBCNENB-XUJVJEKNSA-N -1 1 404.797 3.505 40 0 HHABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408603287 557523652 /nfs/dbraw/zinc/52/36/52/557523652.db2.gz GEDKAZNOJHLABJ-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408603492 557524122 /nfs/dbraw/zinc/52/41/22/557524122.db2.gz KKMRYOAIEGHJQX-CQSZACIVSA-N -1 1 408.545 3.501 40 0 HHABMM CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000006405313 557701580 /nfs/dbraw/zinc/70/15/80/557701580.db2.gz JCPGSLRZYRKSDI-UHFFFAOYSA-N -1 1 404.488 3.960 40 0 HHABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1OC ZINC000408699115 557716332 /nfs/dbraw/zinc/71/63/32/557716332.db2.gz UVWASGAZAFBFKI-UHFFFAOYSA-N -1 1 402.394 3.863 40 0 HHABMM COc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000008033679 557770753 /nfs/dbraw/zinc/77/07/53/557770753.db2.gz ASJYQHTVLQGWPK-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000009676683 557848299 /nfs/dbraw/zinc/84/82/99/557848299.db2.gz BXFAMDKJEZGGOD-UHFFFAOYSA-N -1 1 421.316 3.549 40 0 HHABMM O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009903600 557851221 /nfs/dbraw/zinc/85/12/21/557851221.db2.gz ASUJGDXARBVKSI-UHFFFAOYSA-N -1 1 400.431 3.644 40 0 HHABMM CCOc1ccc(-n2nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000020610272 558390554 /nfs/dbraw/zinc/39/05/54/558390554.db2.gz CPNCWWPILSHWCU-UHFFFAOYSA-N -1 1 408.483 3.928 40 0 HHABMM COc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015353253 558735322 /nfs/dbraw/zinc/73/53/22/558735322.db2.gz PNNJQNUOZTXFKN-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC000054363177 558867822 /nfs/dbraw/zinc/86/78/22/558867822.db2.gz XZYGIEDVRKTRDO-UHFFFAOYSA-N -1 1 404.669 3.910 40 0 HHABMM O=C(CC1CCCC1)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019369420 558877933 /nfs/dbraw/zinc/87/79/33/558877933.db2.gz AAJRKLHCDOKADI-NRFANRHFSA-N -1 1 402.498 3.812 40 0 HHABMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@]2(CCN2c2ccc3nccnc3c2)C1 ZINC000585101731 559024790 /nfs/dbraw/zinc/02/47/90/559024790.db2.gz CBBOYKYANRHJQQ-QFIPXVFZSA-N -1 1 408.889 3.874 40 0 HHABMM COc1cc(CN[C@@H](C)c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)cc(OC)c1OC ZINC000100217700 559132135 /nfs/dbraw/zinc/13/21/35/559132135.db2.gz MVXSXBAYEBMAOK-ZDUSSCGKSA-N -1 1 414.506 3.609 40 0 HHABMM CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000408819756 560645424 /nfs/dbraw/zinc/64/54/24/560645424.db2.gz RSPIFEUOQKOEDZ-INIZCTEOSA-N -1 1 420.874 3.654 40 0 HHABMM CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O ZINC000409208564 560691960 /nfs/dbraw/zinc/69/19/60/560691960.db2.gz CKAYMDZZSNFMFD-PBJWJZLWSA-N -1 1 414.277 3.533 40 0 HHABMM Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(Cl)c3)C2=O)cc1 ZINC000409216300 560697198 /nfs/dbraw/zinc/69/71/98/560697198.db2.gz GTENLFBUORBNRS-MFOYZWKCSA-N -1 1 416.886 3.707 40 0 HHABMM CCOc1c(Br)cc(Br)cc1CNn1cn[n-]c1=S ZINC000008253327 560753444 /nfs/dbraw/zinc/75/34/44/560753444.db2.gz KNKXGMAJTVCNEB-UHFFFAOYSA-N -1 1 408.119 3.608 40 0 HHABMM O=C1N[C@@H](c2ccccc2F)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736401 560726201 /nfs/dbraw/zinc/72/62/01/560726201.db2.gz KHYAUCQBMIYWPD-GRDNDAEWSA-N -1 1 416.758 3.583 40 0 HHABMM Cc1ccc2nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939156 560760901 /nfs/dbraw/zinc/76/09/01/560760901.db2.gz XYTSWDNGMAYBAN-UHFFFAOYSA-N -1 1 419.514 3.773 40 0 HHABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010315114 560767521 /nfs/dbraw/zinc/76/75/21/560767521.db2.gz SORXUADTRUMCMB-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM CCc1ccc([N-]S(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000013585907 560817237 /nfs/dbraw/zinc/81/72/37/560817237.db2.gz GZLCCVPZJCNAEE-UHFFFAOYSA-N -1 1 418.540 3.705 40 0 HHABMM Cc1ccccc1Cc1c(C)[nH]c2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1=O ZINC000014607081 560846847 /nfs/dbraw/zinc/84/68/47/560846847.db2.gz PFLLNZHYBQYOGU-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM Cc1ccccc1Cc1c(C)[nH]c2nn(-c3nc4ccccc4s3)c([O-])c2c1=O ZINC000014607081 560846849 /nfs/dbraw/zinc/84/68/49/560846849.db2.gz PFLLNZHYBQYOGU-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM Cc1ccccc1Cc1c(C)[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c1[O-] ZINC000014607081 560846851 /nfs/dbraw/zinc/84/68/51/560846851.db2.gz PFLLNZHYBQYOGU-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 ZINC000026115747 568540545 /nfs/dbraw/zinc/54/05/45/568540545.db2.gz CZTLIVQJWXRDJL-UHFFFAOYSA-N -1 1 420.556 3.844 40 0 HHABMM CCC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223420296 568548389 /nfs/dbraw/zinc/54/83/89/568548389.db2.gz HGILSFFTFZBOPT-CQSZACIVSA-N -1 1 406.504 3.883 40 0 HHABMM COCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223421995 568548551 /nfs/dbraw/zinc/54/85/51/568548551.db2.gz DVZPJYNJORNXPA-UHFFFAOYSA-N -1 1 420.531 3.809 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCCC2)cc1 ZINC000223427342 568548642 /nfs/dbraw/zinc/54/86/42/568548642.db2.gz HMZDURNJIISXGL-UHFFFAOYSA-N -1 1 418.515 3.661 40 0 HHABMM CCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223425891 568548661 /nfs/dbraw/zinc/54/86/61/568548661.db2.gz BZLXCLAMTLKVFI-UHFFFAOYSA-N -1 1 406.504 3.883 40 0 HHABMM COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223924375 568563120 /nfs/dbraw/zinc/56/31/20/568563120.db2.gz VYYZMXSTLKHVJG-INIZCTEOSA-N -1 1 410.495 3.987 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)COc2ccccc2)c1 ZINC000223946068 568564032 /nfs/dbraw/zinc/56/40/32/568564032.db2.gz ALFTZDZFFRWKPZ-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM CC(C)(C)SCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223965899 568564765 /nfs/dbraw/zinc/56/47/65/568564765.db2.gz KQMRUIFTXKZNKN-UHFFFAOYSA-N -1 1 410.536 3.888 40 0 HHABMM Cc1ccccc1OCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000224078685 568568968 /nfs/dbraw/zinc/56/89/68/568568968.db2.gz VANZNBXEJBGGMU-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1 ZINC000224098384 568569760 /nfs/dbraw/zinc/56/97/60/568569760.db2.gz IDONLFGCHVWJJJ-UHFFFAOYSA-N -1 1 416.524 3.830 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c(Cl)c1Cl ZINC000224991920 568607655 /nfs/dbraw/zinc/60/76/55/568607655.db2.gz RLOVOMHZLFMTEB-UHFFFAOYSA-N -1 1 417.314 3.639 40 0 HHABMM O=C([O-])CCCCCN(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575422320 569026212 /nfs/dbraw/zinc/02/62/12/569026212.db2.gz UWBMSVPTJCXGLM-OAQYLSRUSA-N -1 1 415.555 3.910 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1 ZINC000020571025 525087390 /nfs/dbraw/zinc/08/73/90/525087390.db2.gz AGXAYYYALUAWKY-UHFFFAOYSA-N -1 1 424.478 3.951 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccncc3)c(Cl)c2)cc1 ZINC000044948901 525599839 /nfs/dbraw/zinc/59/98/39/525599839.db2.gz PKLKWJYEEJNYGQ-UHFFFAOYSA-N -1 1 415.902 3.774 40 0 HHABMM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408588294 557492137 /nfs/dbraw/zinc/49/21/37/557492137.db2.gz FMEOSIGGWZMJBJ-UHFFFAOYSA-N -1 1 410.923 3.826 40 0 HHABMM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408597273 557516700 /nfs/dbraw/zinc/51/67/00/557516700.db2.gz YHCKLIHAIISUBR-CQSZACIVSA-N -1 1 410.923 3.824 40 0 HHABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408605639 557517894 /nfs/dbraw/zinc/51/78/94/557517894.db2.gz NEPTWGYEAOESCH-OAHLLOKOSA-N -1 1 422.572 3.749 40 0 HHABMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1C ZINC000408606974 557518793 /nfs/dbraw/zinc/51/87/93/557518793.db2.gz PNPLOSFJCTXMDA-UHFFFAOYSA-N -1 1 404.532 3.604 40 0 HHABMM O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904078 557851116 /nfs/dbraw/zinc/85/11/16/557851116.db2.gz VSQDXLCLESZYPK-UHFFFAOYSA-N -1 1 400.431 3.644 40 0 HHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N1CCc2ccccc2C1 ZINC000010112815 557855607 /nfs/dbraw/zinc/85/56/07/557855607.db2.gz CJOAMALLFJFTBS-UHFFFAOYSA-N -1 1 406.507 3.994 40 0 HHABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000013674902 558564046 /nfs/dbraw/zinc/56/40/46/558564046.db2.gz OGALXIACPPYLPT-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1 ZINC000013683172 558567877 /nfs/dbraw/zinc/56/78/77/558567877.db2.gz WCYLXZBONKVWIV-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000101077779 558826510 /nfs/dbraw/zinc/82/65/10/558826510.db2.gz ODAQEXPEXRLXOF-FSSWDIPSSA-N -1 1 400.434 3.746 40 0 HHABMM Cc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019209941 558848243 /nfs/dbraw/zinc/84/82/43/558848243.db2.gz VOCOIEJDHNDHTO-QHCPKHFHSA-N -1 1 424.504 3.783 40 0 HHABMM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1)C1CCCCC1 ZINC000019369412 558877865 /nfs/dbraw/zinc/87/78/65/558877865.db2.gz CBVAXSPJCAQGHK-OAQYLSRUSA-N -1 1 402.498 3.812 40 0 HHABMM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1)C1CCCCC1 ZINC000019369414 558877983 /nfs/dbraw/zinc/87/79/83/558877983.db2.gz CBVAXSPJCAQGHK-NRFANRHFSA-N -1 1 402.498 3.812 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2C)cc1 ZINC000055651299 558883750 /nfs/dbraw/zinc/88/37/50/558883750.db2.gz LBYXVKGURMPANH-UHFFFAOYSA-N -1 1 402.516 3.677 40 0 HHABMM CC(C)[C@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445609 558885792 /nfs/dbraw/zinc/88/57/92/558885792.db2.gz GHHOFCKUUOIDAY-FQEVSTJZSA-N -1 1 408.527 3.899 40 0 HHABMM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c(OC)c1 ZINC000019552323 558915747 /nfs/dbraw/zinc/91/57/47/558915747.db2.gz PLALAACMFLPRQF-FQEVSTJZSA-N -1 1 406.486 3.989 40 0 HHABMM COc1cc(CN[C@H](C)c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)cc(OC)c1OC ZINC000100217703 559132126 /nfs/dbraw/zinc/13/21/26/559132126.db2.gz MVXSXBAYEBMAOK-CYBMUJFWSA-N -1 1 414.506 3.609 40 0 HHABMM Cc1ccc2nc(C[C@H]3CN(C(=O)Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289007 560033425 /nfs/dbraw/zinc/03/34/25/560033425.db2.gz MBCZSRRXPKLVPI-OALUTQOASA-N -1 1 405.498 3.596 40 0 biogenic,in-vitro HHABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409125790 560681029 /nfs/dbraw/zinc/68/10/29/560681029.db2.gz FFZXVSPZWXWPSA-JVVDOCDTSA-N -1 1 411.527 3.929 40 0 HHABMM COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000409410038 560721241 /nfs/dbraw/zinc/72/12/41/560721241.db2.gz KQXBOFVBEJWFEE-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)cc1C ZINC000409411080 560721484 /nfs/dbraw/zinc/72/14/84/560721484.db2.gz UBIVENMBYREZPS-UHFFFAOYSA-N -1 1 409.511 3.738 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010314566 560767325 /nfs/dbraw/zinc/76/73/25/560767325.db2.gz NAXHCZXXXBGTLS-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC ZINC000013567284 560813978 /nfs/dbraw/zinc/81/39/78/560813978.db2.gz JMUXPCMMZIUCQX-OAHLLOKOSA-N -1 1 423.494 3.554 40 0 HHABMM CCOc1c(Br)cc(Br)cc1CNn1c(C)n[n-]c1=S ZINC000022109461 568475362 /nfs/dbraw/zinc/47/53/62/568475362.db2.gz OMWNEHSAWUMDNO-UHFFFAOYSA-N -1 1 422.146 3.917 40 0 HHABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000222987302 568533339 /nfs/dbraw/zinc/53/33/39/568533339.db2.gz KRWKKTOFPLIPSJ-UHFFFAOYSA-N -1 1 424.316 3.845 40 0 HHABMM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4=O)c3)ccc2O1 ZINC000223668934 568555630 /nfs/dbraw/zinc/55/56/30/568555630.db2.gz ZXXRYPRAAOKSCH-UHFFFAOYSA-N -1 1 400.500 3.718 40 0 HHABMM CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223916325 568562872 /nfs/dbraw/zinc/56/28/72/568562872.db2.gz ZVKQFTXEZDNXKR-UHFFFAOYSA-N -1 1 424.478 3.916 40 0 HHABMM Cc1cc(C(=O)N[C@@H](C)COc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224000488 568565789 /nfs/dbraw/zinc/56/57/89/568565789.db2.gz AUJFFRKCNQNNKG-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3C)c2)cc1 ZINC000224038606 568567234 /nfs/dbraw/zinc/56/72/34/568567234.db2.gz GFIBODCQLGZYKZ-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1 ZINC000224038663 568567297 /nfs/dbraw/zinc/56/72/97/568567297.db2.gz XBROMXSSLLYZHQ-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3F)c2)cc1 ZINC000224039510 568567314 /nfs/dbraw/zinc/56/73/14/568567314.db2.gz TYSYQMDGIUWANS-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM Cc1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000224089043 568569439 /nfs/dbraw/zinc/56/94/39/568569439.db2.gz HUMPMZRNXRAYRO-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2sc1=O ZINC000224897235 568602879 /nfs/dbraw/zinc/60/28/79/568602879.db2.gz ODGKUHGEZOXEBT-UHFFFAOYSA-N -1 1 418.418 3.782 40 0 HHABMM CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1C(=O)C1(c2ccccc2)CCCCC1 ZINC000257239657 568787563 /nfs/dbraw/zinc/78/75/63/568787563.db2.gz HQGSDALPXKFLKL-GOSISDBHSA-N -1 1 415.559 3.769 40 0 HHABMM CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)C1(c2ccccc2)CCCCC1 ZINC000257239657 568787565 /nfs/dbraw/zinc/78/75/65/568787565.db2.gz HQGSDALPXKFLKL-GOSISDBHSA-N -1 1 415.559 3.769 40 0 HHABMM CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cccc([O-])c1Cl ZINC000261361794 568819291 /nfs/dbraw/zinc/81/92/91/568819291.db2.gz AYUYPTSWMSEXIF-QGZVFWFLSA-O -1 1 401.899 3.970 40 0 HHABMM O=C([O-])C[C@@H]1CCN(C(=O)c2cccc(F)c2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289580 569070060 /nfs/dbraw/zinc/07/00/60/569070060.db2.gz VQXMYGMNUDPWKI-ZFWWWQNUSA-N -1 1 413.424 3.637 40 0 biogenic,in-vitro HHABMM C[C@]12C[C@H](CC(C)(C)C1)[N@H+]([C@@H](C(=O)[O-])c1cn(CC(=O)[O-])c3cc(F)ccc13)C2 ZINC000217931318 569281562 /nfs/dbraw/zinc/28/15/62/569281562.db2.gz KSSPRYIMSPGLPO-BANJIEJESA-N -1 1 402.466 3.891 40 0 HHABMM Cc1nnc(SC(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)[O-])[nH]1 ZINC000006588261 569333489 /nfs/dbraw/zinc/33/34/89/569333489.db2.gz BEYCGJNHARIRJQ-NVMNQCDNSA-N -1 1 411.439 3.639 40 0 HHABMM Cc1nc(SC(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)[O-])n[nH]1 ZINC000006588261 569333490 /nfs/dbraw/zinc/33/34/90/569333490.db2.gz BEYCGJNHARIRJQ-NVMNQCDNSA-N -1 1 411.439 3.639 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000008560502 569341746 /nfs/dbraw/zinc/34/17/46/569341746.db2.gz VCZWFBJZILIXBE-UHFFFAOYSA-N -1 1 408.907 3.776 40 0 HHABMM CC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010361088 569344144 /nfs/dbraw/zinc/34/41/44/569344144.db2.gz FOTJLVIMHBASKZ-UHFFFAOYSA-N -1 1 409.467 3.698 40 0 HHABMM Cc1sc2nc(-c3ccc(Sc4nnnn4-c4ccccc4)o3)[n-]c(=O)c2c1C ZINC000033536610 569350607 /nfs/dbraw/zinc/35/06/07/569350607.db2.gz BDNXGXIRFHYAKZ-UHFFFAOYSA-N -1 1 422.495 3.988 40 0 HHABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1ccc(F)cc1F ZINC000033853388 569351437 /nfs/dbraw/zinc/35/14/37/569351437.db2.gz XHHRDZPOZLASRZ-GIDUJCDVSA-N -1 1 424.812 3.999 40 0 HHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225710441 521547368 /nfs/dbraw/zinc/54/73/68/521547368.db2.gz ATTFAVLJMCBTAO-UHFFFAOYSA-N -1 1 420.512 3.621 40 0 HHABMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)C1=O)O2 ZINC000001563285 557272498 /nfs/dbraw/zinc/27/24/98/557272498.db2.gz KUYIDZTUWKUSGO-XMMPIXPASA-N -1 1 416.433 3.990 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2C)c1C ZINC000408546281 557383411 /nfs/dbraw/zinc/38/34/11/557383411.db2.gz DJCGXTNFJBAPPJ-UHFFFAOYSA-N -1 1 409.511 3.738 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)NC(C)C ZINC000408592959 557506518 /nfs/dbraw/zinc/50/65/18/557506518.db2.gz LDNRDKDBXQRBPP-UHFFFAOYSA-N -1 1 411.321 3.697 40 0 HHABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000004884676 557609928 /nfs/dbraw/zinc/60/99/28/557609928.db2.gz JQEOLWSUIUWUEK-UHFFFAOYSA-N -1 1 410.417 3.805 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1 ZINC000008180466 557774413 /nfs/dbraw/zinc/77/44/13/557774413.db2.gz PMXFCAIYHLHLCM-UHFFFAOYSA-N -1 1 410.451 3.777 40 0 HHABMM CCOCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000019932208 558310713 /nfs/dbraw/zinc/31/07/13/558310713.db2.gz JMSFZHXAYTZQJE-UHFFFAOYSA-N -1 1 410.923 3.606 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCOC(C)C)c(Cl)c2)cc1 ZINC000020045309 558327222 /nfs/dbraw/zinc/32/72/22/558327222.db2.gz QJNKKDSWUKPKFE-UHFFFAOYSA-N -1 1 424.950 3.994 40 0 HHABMM CCOc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000020483142 558375688 /nfs/dbraw/zinc/37/56/88/558375688.db2.gz RHAYQWFUVWEYRR-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCN(C)c3ccccc3)c2)c1 ZINC000012612852 558439196 /nfs/dbraw/zinc/43/91/96/558439196.db2.gz MODVJOCFDBEEMC-UHFFFAOYSA-N -1 1 423.538 3.662 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1N1CCCC1=O ZINC000022522084 558494935 /nfs/dbraw/zinc/49/49/35/558494935.db2.gz GZEFBILZIPQEGY-UHFFFAOYSA-N -1 1 415.298 3.930 40 0 HHABMM CCOc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000013673817 558563376 /nfs/dbraw/zinc/56/33/76/558563376.db2.gz LJAXYVVOJWYLJU-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000015339272 558734324 /nfs/dbraw/zinc/73/43/24/558734324.db2.gz SSUWRKIHDZCGKE-UHFFFAOYSA-N -1 1 406.507 3.994 40 0 HHABMM COC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223416226 568548173 /nfs/dbraw/zinc/54/81/73/568548173.db2.gz FPHKPFQGXJAVRV-UHFFFAOYSA-N -1 1 408.907 3.918 40 0 HHABMM COC(=O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223415454 568548198 /nfs/dbraw/zinc/54/81/98/568548198.db2.gz RVVAXJXEETUKND-MRXNPFEDSA-N -1 1 424.906 3.518 40 0 HHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 ZINC000223838929 568560475 /nfs/dbraw/zinc/56/04/75/568560475.db2.gz HJWGNLIYDLHVPC-UHFFFAOYSA-N -1 1 405.472 3.539 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000223982937 568565297 /nfs/dbraw/zinc/56/52/97/568565297.db2.gz VBRAADYNJVLJQI-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCCCCC3)c2)cc1 ZINC000224040410 568567383 /nfs/dbraw/zinc/56/73/83/568567383.db2.gz FDYHZEVVZUHFFP-UHFFFAOYSA-N -1 1 402.516 3.949 40 0 HHABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000225276137 568627183 /nfs/dbraw/zinc/62/71/83/568627183.db2.gz NYBPNNSUJDDGOR-UHFFFAOYSA-N -1 1 409.305 3.549 40 0 HHABMM CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)c4ncccc4[O-])CC3)C[C@@H]21 ZINC000257287017 568800596 /nfs/dbraw/zinc/80/05/96/568800596.db2.gz POCLDWAQRJVCCG-LAUBAEHRSA-N -1 1 424.497 3.664 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCCOC(C)C)ccc2C)cc1 ZINC000010315049 569343525 /nfs/dbraw/zinc/34/35/25/569343525.db2.gz RDJDOHFWGZDUEQ-UHFFFAOYSA-N -1 1 404.532 3.649 40 0 HHABMM COc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010357957 569344044 /nfs/dbraw/zinc/34/40/44/569344044.db2.gz ZNHKQCMQVFCGGR-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1F ZINC000046698137 569352128 /nfs/dbraw/zinc/35/21/28/569352128.db2.gz XGMGJZAQNIRPMU-UHFFFAOYSA-N -1 1 421.231 3.548 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040400375 525329214 /nfs/dbraw/zinc/32/92/14/525329214.db2.gz VSGLDTLLAVFEIA-KRWDZBQOSA-N -1 1 417.469 3.503 40 0 HHABMM O=C1[N-]C(=S)NC1=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000001208553 557242453 /nfs/dbraw/zinc/24/24/53/557242453.db2.gz KWAJEDHNMYEMEJ-RIYZIHGNSA-N -1 1 407.264 3.512 40 0 HHABMM O=C([O-])[C@H]1SC2=NC(=O)SC2[C@H](c2ccco2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000035053062 557279712 /nfs/dbraw/zinc/27/97/12/557279712.db2.gz VLJQADBFDVUVNF-XUJVJEKNSA-N -1 1 405.428 3.771 40 0 HHABMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)C1=O)O2 ZINC000002028612 557299686 /nfs/dbraw/zinc/29/96/86/557299686.db2.gz KUYIDZTUWKUSGO-DEOSSOPVSA-N -1 1 416.433 3.990 40 0 HHABMM COc1ccc(Cl)cc1C(=O)N1CCN([C@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408613202 557531242 /nfs/dbraw/zinc/53/12/42/557531242.db2.gz XXJJJECKPCWLPY-LJQANCHMSA-N -1 1 416.905 3.713 40 0 HHABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1C ZINC000408612861 557531259 /nfs/dbraw/zinc/53/12/59/557531259.db2.gz ZHODYWBIABXJSI-UHFFFAOYSA-N -1 1 411.321 3.698 40 0 HHABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)C(=O)NC1CCCCC1 ZINC000408614186 557538334 /nfs/dbraw/zinc/53/83/34/557538334.db2.gz ZNKNYPHGSCAIFG-OAHLLOKOSA-N -1 1 420.506 3.843 40 0 HHABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000005204152 557639954 /nfs/dbraw/zinc/63/99/54/557639954.db2.gz PYPSCALKEJCBSL-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000008180475 557774500 /nfs/dbraw/zinc/77/45/00/557774500.db2.gz STCATWRYSOKOKV-UHFFFAOYSA-N -1 1 414.414 3.608 40 0 HHABMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2oc1=O ZINC000019936574 558312011 /nfs/dbraw/zinc/31/20/11/558312011.db2.gz PJOMGIVSCQRAEC-UHFFFAOYSA-N -1 1 410.451 3.511 40 0 HHABMM COC(=O)c1cc2cc(NC(=O)c3cnc(-c4ccccc4)[n-]c3=O)ccc2s1 ZINC000019937350 558312464 /nfs/dbraw/zinc/31/24/64/558312464.db2.gz NDMXNBWGXOIQMU-UHFFFAOYSA-N -1 1 405.435 3.691 40 0 HHABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000012200185 558351030 /nfs/dbraw/zinc/35/10/30/558351030.db2.gz FAEZJGZMOLDXTN-UHFFFAOYSA-N -1 1 422.462 3.933 40 0 HHABMM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000020483966 558375979 /nfs/dbraw/zinc/37/59/79/558375979.db2.gz SRSPYTSNCJDZKI-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCN(C)c3ccccc3)c2)cc1 ZINC000012612821 558439250 /nfs/dbraw/zinc/43/92/50/558439250.db2.gz JNSWGOVUIAPGNL-UHFFFAOYSA-N -1 1 423.538 3.662 40 0 HHABMM CCCc1cc(=O)[n-]c(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)n1 ZINC000016768280 558806258 /nfs/dbraw/zinc/80/62/58/558806258.db2.gz CGUVEQYPJPGKFZ-UHFFFAOYSA-N -1 1 422.510 3.873 40 0 HHABMM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1)c1ccccc1 ZINC000019369025 558877761 /nfs/dbraw/zinc/87/77/61/558877761.db2.gz IOKSTRSPSXNUAY-NRFANRHFSA-N -1 1 414.440 3.685 40 0 HHABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000095630004 559087732 /nfs/dbraw/zinc/08/77/32/559087732.db2.gz VGAJYRKEVKPHAO-FKBYEOEOSA-N -1 1 400.434 3.746 40 0 HHABMM COc1ccccc1CN[C@@H](c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1)C(C)C ZINC000100769457 559140188 /nfs/dbraw/zinc/14/01/88/559140188.db2.gz WERSGTBCFSIPNN-HSZRJFAPSA-N -1 1 410.518 3.824 40 0 HHABMM O=C1N[C@@H](c2ccc(F)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000001153780 560571715 /nfs/dbraw/zinc/57/17/15/560571715.db2.gz DJBWFJHVCRDNDT-JKIFEVAISA-N -1 1 416.758 3.583 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)N1CCCC1 ZINC000008560360 560730698 /nfs/dbraw/zinc/73/06/98/560730698.db2.gz ABANEEANUIUPDH-UHFFFAOYSA-N -1 1 408.907 3.694 40 0 HHABMM CCOc1ccc(Br)cc1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000008324605 560754003 /nfs/dbraw/zinc/75/40/03/560754003.db2.gz MIEGCGPWWPOHQP-UHFFFAOYSA-N -1 1 406.309 3.908 40 0 HHABMM Nc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000020520988 560885828 /nfs/dbraw/zinc/88/58/28/560885828.db2.gz SCMWAOOUTVPNEU-UHFFFAOYSA-N -1 1 406.099 3.595 40 0 HHABMM COc1ccc(N2OC3=C([O-])N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000004949835 568425842 /nfs/dbraw/zinc/42/58/42/568425842.db2.gz NFRIQTUVSBIGGV-YPAWHYETSA-N -1 1 400.434 3.746 40 0 HHABMM CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223923952 568563022 /nfs/dbraw/zinc/56/30/22/568563022.db2.gz ONTXGNFFFBEYHS-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000223936382 568563533 /nfs/dbraw/zinc/56/35/33/568563533.db2.gz DGWQVEIGHAWHLZ-UHFFFAOYSA-N -1 1 410.451 3.777 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCN(C)c2ccccc2)c1 ZINC000223944479 568564023 /nfs/dbraw/zinc/56/40/23/568564023.db2.gz ZCSQGKKLMLIAHV-UHFFFAOYSA-N -1 1 423.538 3.662 40 0 HHABMM C[C@H](COc1ccccc1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224026266 568566772 /nfs/dbraw/zinc/56/67/72/568566772.db2.gz IWBWUJJQGAXTAN-QGZVFWFLSA-N -1 1 410.495 3.685 40 0 HHABMM CCc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224074568 568568688 /nfs/dbraw/zinc/56/86/88/568568688.db2.gz YQJNDBPZRURSBX-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM Cc1ccc(C(=O)NCCOc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224082757 568569094 /nfs/dbraw/zinc/56/90/94/568569094.db2.gz AFVOYCVWCHOTGA-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM COc1cccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224098767 568569812 /nfs/dbraw/zinc/56/98/12/568569812.db2.gz XRLPVZZAKMDYRL-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000253572671 569318045 /nfs/dbraw/zinc/31/80/45/569318045.db2.gz QLTSFQSGMBTDJL-IAGOWNOFSA-N -1 1 423.517 3.578 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000008288815 569339974 /nfs/dbraw/zinc/33/99/74/569339974.db2.gz ZBNOSOZACHWGSB-UHFFFAOYSA-N -1 1 410.451 3.526 40 0 HHABMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010315301 569343610 /nfs/dbraw/zinc/34/36/10/569343610.db2.gz HZVPSGYFADALAF-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM CC(=O)Nc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010371226 569344297 /nfs/dbraw/zinc/34/42/97/569344297.db2.gz NWJZZQOCUOSTDZ-UHFFFAOYSA-N -1 1 409.467 3.698 40 0 HHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(C)=O ZINC000408555799 557451808 /nfs/dbraw/zinc/45/18/08/557451808.db2.gz GIWIHLOEZZIYHZ-UHFFFAOYSA-N -1 1 413.293 3.607 40 0 HHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCCC1 ZINC000408562526 557461362 /nfs/dbraw/zinc/46/13/62/557461362.db2.gz QQVLFOZCGMPYGT-UHFFFAOYSA-N -1 1 424.320 3.878 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N1CCOCC1 ZINC000408612835 557530983 /nfs/dbraw/zinc/53/09/83/557530983.db2.gz ZDNSGMIYWZUODL-UHFFFAOYSA-N -1 1 416.543 3.700 40 0 HHABMM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635733 557603707 /nfs/dbraw/zinc/60/37/07/557603707.db2.gz HZVHGCSZQUSIJS-UHFFFAOYSA-N -1 1 417.314 3.699 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccc(F)cc3)c2)cc1 ZINC000008033522 557770805 /nfs/dbraw/zinc/77/08/05/557770805.db2.gz IWUMSYZQWCGQEB-UHFFFAOYSA-N -1 1 412.486 3.907 40 0 HHABMM Cc1cccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000021785662 558448443 /nfs/dbraw/zinc/44/84/43/558448443.db2.gz JIHJPUOQHOBQBI-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1OC ZINC000013680149 558566208 /nfs/dbraw/zinc/56/62/08/558566208.db2.gz QQXKTJRKSWFJOW-UHFFFAOYSA-N -1 1 403.287 3.553 40 0 HHABMM O=C(Oc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1ccccc1Br ZINC000083252331 558833154 /nfs/dbraw/zinc/83/31/54/558833154.db2.gz COIYRKWELZQWGP-NTEUORMPSA-N -1 1 404.241 3.992 40 0 HHABMM CC(C)[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445587 558885689 /nfs/dbraw/zinc/88/56/89/558885689.db2.gz LDHYRXHAJPKMMO-HXUWFJFHSA-N -1 1 408.527 3.899 40 0 HHABMM Cc1sc(NC(=O)CSc2nc(O)cc(=O)[n-]2)nc1-c1ccc(Cl)cc1 ZINC000409411541 560721614 /nfs/dbraw/zinc/72/16/14/560721614.db2.gz IUYANVREXPFHOG-UHFFFAOYSA-N -1 1 408.892 3.704 40 0 HHABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1OC ZINC000009903475 560760390 /nfs/dbraw/zinc/76/03/90/560760390.db2.gz IYEJEFOBVLIBTN-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585921 560817274 /nfs/dbraw/zinc/81/72/74/560817274.db2.gz WFHPLAWGFDKBJS-UHFFFAOYSA-N -1 1 424.931 3.796 40 0 HHABMM Cc1ccc(Cc2c(C)[nH]c3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2=O)cc1 ZINC000014607077 560846828 /nfs/dbraw/zinc/84/68/28/560846828.db2.gz KLKQRCCUDMFOMC-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM Cc1ccc(Cc2c(C)[nH]c3nn(-c4nc5ccccc5s4)c([O-])c3c2=O)cc1 ZINC000014607077 560846830 /nfs/dbraw/zinc/84/68/30/560846830.db2.gz KLKQRCCUDMFOMC-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM Cc1ccc(Cc2c(C)[nH]c3nn(-c4nc5ccccc5s4)c(=O)c-3c2[O-])cc1 ZINC000014607077 560846832 /nfs/dbraw/zinc/84/68/32/560846832.db2.gz KLKQRCCUDMFOMC-UHFFFAOYSA-N -1 1 402.479 3.824 40 0 HHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCC3)cc2)cc1Cl ZINC000223010328 568534260 /nfs/dbraw/zinc/53/42/60/568534260.db2.gz AAJIJIIXERGKHV-UHFFFAOYSA-N -1 1 422.934 3.704 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223923326 568563007 /nfs/dbraw/zinc/56/30/07/568563007.db2.gz HVOFHVMXSRNHIU-UHFFFAOYSA-N -1 1 410.451 3.526 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000223921031 568563042 /nfs/dbraw/zinc/56/30/42/568563042.db2.gz CLGQHCMJXQAYJH-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223954066 568564437 /nfs/dbraw/zinc/56/44/37/568564437.db2.gz NWLQJPCJGLIPJR-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)COc3ccccc3)c2)cc1 ZINC000223959900 568564563 /nfs/dbraw/zinc/56/45/63/568564563.db2.gz XLLPGCPYIXLATH-SFHVURJKSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000223980238 568565216 /nfs/dbraw/zinc/56/52/16/568565216.db2.gz NVWZTZAYLUULHV-INIZCTEOSA-N -1 1 410.495 3.987 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)c1 ZINC000224531808 568583866 /nfs/dbraw/zinc/58/38/66/568583866.db2.gz IKCFQCPRCOSAFV-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)c1 ZINC000224540682 568584286 /nfs/dbraw/zinc/58/42/86/568584286.db2.gz NEQZSBDZSCLMQM-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225463860 568640404 /nfs/dbraw/zinc/64/04/04/568640404.db2.gz AOMDJHDSRNGCBR-UHFFFAOYSA-N -1 1 402.541 3.899 40 0 HHABMM CCc1nnc([N-]c2cccc([C@H]3CN(Cc4cnc(C)s4)CCO3)n2)s1 ZINC000257245476 568789150 /nfs/dbraw/zinc/78/91/50/568789150.db2.gz IPQYJVTVYWLVNY-OAHLLOKOSA-N -1 1 402.549 3.578 40 0 HHABMM Cc1nnc(SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])[nH]1 ZINC000006588325 569333640 /nfs/dbraw/zinc/33/36/40/569333640.db2.gz QACZDQLHRMJZEE-YVLHZVERSA-N -1 1 412.427 3.818 40 0 HHABMM Cc1nc(SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])n[nH]1 ZINC000006588325 569333642 /nfs/dbraw/zinc/33/36/42/569333642.db2.gz QACZDQLHRMJZEE-YVLHZVERSA-N -1 1 412.427 3.818 40 0 HHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)OC)c2)cc1OCC ZINC000008049030 569339287 /nfs/dbraw/zinc/33/92/87/569339287.db2.gz LOQGZWKJDUKTJB-UHFFFAOYSA-N -1 1 413.879 3.725 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1Cl ZINC000008330313 569340035 /nfs/dbraw/zinc/34/00/35/569340035.db2.gz BFVSOAWNLHJKMM-UHFFFAOYSA-N -1 1 404.271 3.654 40 0 HHABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000007323200 132323789 /nfs/dbraw/zinc/32/37/89/132323789.db2.gz KONYDNBIISNPGV-UHFFFAOYSA-N -1 1 409.305 3.549 40 0 HHABMM CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000408543294 557360424 /nfs/dbraw/zinc/36/04/24/557360424.db2.gz CREIUKAQYJPCNF-UHFFFAOYSA-N -1 1 404.532 3.569 40 0 HHABMM O=C1N[C@@H](c2cccs2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004144251 557519847 /nfs/dbraw/zinc/51/98/47/557519847.db2.gz FPEQHSJHBCNENB-HUBLWGQQSA-N -1 1 404.797 3.505 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1NC(=O)c1ccccc1 ZINC000408617079 557543877 /nfs/dbraw/zinc/54/38/77/557543877.db2.gz CEFRPEBDKDFJKP-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000408705648 557731561 /nfs/dbraw/zinc/73/15/61/557731561.db2.gz KKYPERKTKZTNHE-UHFFFAOYSA-N -1 1 406.479 3.507 40 0 HHABMM O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904878 557851258 /nfs/dbraw/zinc/85/12/58/557851258.db2.gz HKZGGTHRETYIAR-UHFFFAOYSA-N -1 1 424.478 3.787 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000010112218 557855401 /nfs/dbraw/zinc/85/54/01/557855401.db2.gz UUYYMDWAMIFDBM-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CCCc1c(=O)[n-]c(N2CCN(c3ccccc3OC)CC2)nc1-c1ccccc1 ZINC000013611421 558548459 /nfs/dbraw/zinc/54/84/59/558548459.db2.gz GCHWUNGCHFJHOD-UHFFFAOYSA-N -1 1 404.514 3.725 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCCOC(C)C)c2)cc1 ZINC000030870349 558743124 /nfs/dbraw/zinc/74/31/24/558743124.db2.gz VFVZIPABJSQNEJ-UHFFFAOYSA-N -1 1 424.950 3.994 40 0 HHABMM COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000017155090 558824359 /nfs/dbraw/zinc/82/43/59/558824359.db2.gz VRSFGSKMDFQRHB-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM Cc1ccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019209943 558848183 /nfs/dbraw/zinc/84/81/83/558848183.db2.gz VOCOIEJDHNDHTO-HSZRJFAPSA-N -1 1 424.504 3.783 40 0 HHABMM Cc1cccc2[nH]c(C(=O)N[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)cc21 ZINC000019236683 558855933 /nfs/dbraw/zinc/85/59/33/558855933.db2.gz NKPXRNMUBKDBSM-NRFANRHFSA-N -1 1 401.470 3.749 40 0 HHABMM O=C(CC1CCCC1)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019369417 558877970 /nfs/dbraw/zinc/87/79/70/558877970.db2.gz AAJRKLHCDOKADI-OAQYLSRUSA-N -1 1 402.498 3.812 40 0 HHABMM COc1cccc(OC)c1CN1CCCC[C@@H]1c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019567080 558926477 /nfs/dbraw/zinc/92/64/77/558926477.db2.gz UVTOPXYRIBKDFQ-LJQANCHMSA-N -1 1 406.486 3.989 40 0 HHABMM COc1ccc2nc(NC(=O)C([O-])=C(C)C(=O)c3ccc(Cl)cc3)sc2c1 ZINC000104274710 559159763 /nfs/dbraw/zinc/15/97/63/559159763.db2.gz AWEHWMYWQWEHAS-JTQLQIEISA-N -1 1 402.859 3.985 40 0 HHABMM O=C1N[C@@H](c2c(F)cccc2Cl)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000002511873 560560125 /nfs/dbraw/zinc/56/01/25/560560125.db2.gz MQQPRDGKIBHENW-GRDNDAEWSA-N -1 1 416.758 3.583 40 0 HHABMM CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O ZINC000409207804 560691500 /nfs/dbraw/zinc/69/15/00/560691500.db2.gz AHNMYFWOHYVEJD-MDWZMJQESA-N -1 1 414.277 3.534 40 0 HHABMM Cc1ccnc(SCc2cc(=O)[n-]c(Nc3nc(C)c4cc(C)c(C)cc4n3)n2)n1 ZINC000008017782 560753014 /nfs/dbraw/zinc/75/30/14/560753014.db2.gz AZVAPRWVHJIZLV-UHFFFAOYSA-N -1 1 419.514 3.773 40 0 HHABMM COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009296690 560758000 /nfs/dbraw/zinc/75/80/00/560758000.db2.gz UYGOZZWNPGHYNS-AWNIVKPZSA-N -1 1 423.277 3.566 40 0 HHABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2)CC1 ZINC000222980367 568532994 /nfs/dbraw/zinc/53/29/94/568532994.db2.gz VOUFRQQQUUUSKT-UHFFFAOYSA-N -1 1 409.891 3.744 40 0 HHABMM COc1ccccc1[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223282395 568544107 /nfs/dbraw/zinc/54/41/07/568544107.db2.gz CJXVARPZNHWBDY-MRXNPFEDSA-N -1 1 410.495 3.987 40 0 HHABMM COC(=O)c1ccc(N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223412247 568547892 /nfs/dbraw/zinc/54/78/92/568547892.db2.gz XXPJHKRSDNPMIG-UHFFFAOYSA-N -1 1 402.516 3.819 40 0 HHABMM Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223928060 568563261 /nfs/dbraw/zinc/56/32/61/568563261.db2.gz UCIRLYBCZLWSNE-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOCc3ccccc3)cc2)cc1 ZINC000223930642 568563366 /nfs/dbraw/zinc/56/33/66/568563366.db2.gz CGXARJQKSQQTOR-UHFFFAOYSA-N -1 1 424.522 3.742 40 0 HHABMM COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223935601 568563505 /nfs/dbraw/zinc/56/35/05/568563505.db2.gz NUGWINZHHVPHSW-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223938475 568563661 /nfs/dbraw/zinc/56/36/61/568563661.db2.gz SOMMFEZIMHARPO-UHFFFAOYSA-N -1 1 412.486 3.907 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3ccccc3)c2)cc1 ZINC000224042230 568567405 /nfs/dbraw/zinc/56/74/05/568567405.db2.gz BJBXMFCUCJKARQ-UHFFFAOYSA-N -1 1 424.522 3.859 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCC(C)C)c2)cc1 ZINC000224072223 568568525 /nfs/dbraw/zinc/56/85/25/568568525.db2.gz HLHBAOKQDGOACC-UHFFFAOYSA-N -1 1 410.923 3.925 40 0 HHABMM Cc1ccccc1OCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224074242 568568678 /nfs/dbraw/zinc/56/86/78/568568678.db2.gz YBZHZZQOYGNBFU-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCOc3ccccc3)ccc2C)cc1 ZINC000224084572 568569207 /nfs/dbraw/zinc/56/92/07/568569207.db2.gz BLENZSHKIRUTRL-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM CSc1nnc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000225834721 568679209 /nfs/dbraw/zinc/67/92/09/568679209.db2.gz IGAJJZNEKHNAHT-UHFFFAOYSA-N -1 1 420.541 3.622 40 0 HHABMM CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000257301454 568804750 /nfs/dbraw/zinc/80/47/50/568804750.db2.gz RYMMMEPJYAWHJD-LJQANCHMSA-N -1 1 423.538 3.699 40 0 HHABMM CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000257301454 568804751 /nfs/dbraw/zinc/80/47/51/568804751.db2.gz RYMMMEPJYAWHJD-LJQANCHMSA-N -1 1 423.538 3.699 40 0 HHABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253565763 569317915 /nfs/dbraw/zinc/31/79/15/569317915.db2.gz ICZUEABKUWZZRA-CKEIUWERSA-N -1 1 423.517 3.576 40 0 HHABMM CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(COC)c(C(=O)OC)c3c2)cc1 ZINC000000911337 569320414 /nfs/dbraw/zinc/32/04/14/569320414.db2.gz KMBHFBQDRHSWHK-UHFFFAOYSA-N -1 1 403.456 3.729 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1Cl ZINC000006362094 569331709 /nfs/dbraw/zinc/33/17/09/569331709.db2.gz FBJUQFJBNWNFTE-UHFFFAOYSA-N -1 1 405.859 3.846 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)N1CCCC1 ZINC000007361369 569337322 /nfs/dbraw/zinc/33/73/22/569337322.db2.gz IDQINCRCUUUMQI-UHFFFAOYSA-N -1 1 402.516 3.855 40 0 HHABMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc3cccc1c32 ZINC000008870364 961600084 /nfs/dbraw/zinc/60/00/84/961600084.db2.gz XXMDPCFKKXZGGR-UHFFFAOYSA-N -1 1 421.261 3.831 40 0 HHABMM CCc1ccc(NC(=S)c2c(N)nc(N3c4ccccc4C[C@H]3C)[n-]c2=O)cc1 ZINC000040385614 523993583 /nfs/dbraw/zinc/99/35/83/523993583.db2.gz YARIKEFZDSORTD-CYBMUJFWSA-N -1 1 405.527 3.785 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2)cc1 ZINC000020571851 525081328 /nfs/dbraw/zinc/08/13/28/525081328.db2.gz VUDAVABDECHMDR-UHFFFAOYSA-N -1 1 424.478 3.951 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)cc1C ZINC000408545379 557364650 /nfs/dbraw/zinc/36/46/50/557364650.db2.gz LABCJQHWONHYSS-UHFFFAOYSA-N -1 1 418.559 3.958 40 0 HHABMM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408588298 557492126 /nfs/dbraw/zinc/49/21/26/557492126.db2.gz FMUYJDHSNLGRIZ-MRXNPFEDSA-N -1 1 412.511 3.933 40 0 HHABMM COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000003569911 557493556 /nfs/dbraw/zinc/49/35/56/557493556.db2.gz OHEYEZFTKNBDFI-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1N1CCCC1=O ZINC000020483042 558375520 /nfs/dbraw/zinc/37/55/20/558375520.db2.gz VNJKSZIZYIFRNO-UHFFFAOYSA-N -1 1 409.305 3.685 40 0 HHABMM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000022523379 558495217 /nfs/dbraw/zinc/49/52/17/558495217.db2.gz QZWHKNKJDLNIFY-MRXNPFEDSA-N -1 1 410.495 3.987 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccccn3)c2)cc1 ZINC000030847480 558739403 /nfs/dbraw/zinc/73/94/03/558739403.db2.gz QQKOGSMEIBVHFH-UHFFFAOYSA-N -1 1 415.902 3.774 40 0 HHABMM COc1ccc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000030851092 558740022 /nfs/dbraw/zinc/74/00/22/558740022.db2.gz NRRRPYUBOJJMKX-MRXNPFEDSA-N -1 1 410.495 3.987 40 0 HHABMM Cc1cccc2[nH]c(C(=O)N[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C(C)C)cc21 ZINC000019236682 558855915 /nfs/dbraw/zinc/85/59/15/558855915.db2.gz NKPXRNMUBKDBSM-OAQYLSRUSA-N -1 1 401.470 3.749 40 0 HHABMM Cc1cc(Br)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000054363179 558867834 /nfs/dbraw/zinc/86/78/34/558867834.db2.gz NUOZASSCBXXUMC-UHFFFAOYSA-N -1 1 404.669 3.910 40 0 HHABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000136617311 559277652 /nfs/dbraw/zinc/27/76/52/559277652.db2.gz VGAJYRKEVKPHAO-FDFHNCONSA-N -1 1 400.434 3.746 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000409235346 560701029 /nfs/dbraw/zinc/70/10/29/560701029.db2.gz BLJBKVCAIUMXDB-UHFFFAOYSA-N -1 1 424.689 3.999 40 0 HHABMM CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000409412019 560721687 /nfs/dbraw/zinc/72/16/87/560721687.db2.gz PWBIRGKVGSHINS-UHFFFAOYSA-N -1 1 404.532 3.569 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c1 ZINC000006352427 560741170 /nfs/dbraw/zinc/74/11/70/560741170.db2.gz FAWBTRNXLZIYPU-UHFFFAOYSA-N -1 1 404.532 3.649 40 0 HHABMM COc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1OC ZINC000013567261 560813934 /nfs/dbraw/zinc/81/39/34/560813934.db2.gz LIPSPIJPVRFVNQ-HNNXBMFYSA-N -1 1 423.494 3.554 40 0 HHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)ccc1OCc1ccccc1 ZINC000013567325 560813969 /nfs/dbraw/zinc/81/39/69/560813969.db2.gz XATHSJJMGNXIPA-HNNXBMFYSA-N -1 1 423.494 3.554 40 0 HHABMM Cc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000013996906 560831960 /nfs/dbraw/zinc/83/19/60/560831960.db2.gz YUZRBVMUDRLNIH-UHFFFAOYSA-N -1 1 416.480 3.808 40 0 HHABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2oc1=O ZINC000223355355 568546257 /nfs/dbraw/zinc/54/62/57/568546257.db2.gz FBLSXBDIJYTECV-UHFFFAOYSA-N -1 1 400.378 3.742 40 0 HHABMM COC(=O)c1ccc(NCCC(C)C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223420254 568548380 /nfs/dbraw/zinc/54/83/80/568548380.db2.gz UEYMSSDAXLANCE-UHFFFAOYSA-N -1 1 406.504 3.741 40 0 HHABMM CCCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223420179 568548438 /nfs/dbraw/zinc/54/84/38/568548438.db2.gz QCSRTPWJSAWFPE-UHFFFAOYSA-N -1 1 406.504 3.885 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3)cc2)cc1 ZINC000223929886 568563243 /nfs/dbraw/zinc/56/32/43/568563243.db2.gz RMYWIHGOUNQVOB-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM Cc1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223928942 568563318 /nfs/dbraw/zinc/56/33/18/568563318.db2.gz QDXKMRWDPIUORY-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM Cc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223938553 568563686 /nfs/dbraw/zinc/56/36/86/568563686.db2.gz DVHOAPBEYDNAMM-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000223946824 568563965 /nfs/dbraw/zinc/56/39/65/568563965.db2.gz WWNSFLXERDFOHN-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC(C)(C)C)cc2)cc1 ZINC000223983066 568565245 /nfs/dbraw/zinc/56/52/45/568565245.db2.gz ZUVUSJIWHXLQHO-UHFFFAOYSA-N -1 1 422.572 3.758 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC000224021326 568566708 /nfs/dbraw/zinc/56/67/08/568566708.db2.gz MRCRPSMVFSYQBK-UHFFFAOYSA-N -1 1 408.907 3.776 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000224042603 568567369 /nfs/dbraw/zinc/56/73/69/568567369.db2.gz UHEPEHAYHYLCRS-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000224085569 568569183 /nfs/dbraw/zinc/56/91/83/568569183.db2.gz JEMYOXGWRYEYJW-UHFFFAOYSA-N -1 1 416.524 3.830 40 0 HHABMM Cc1cc(C(=O)NCCOc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224088541 568569293 /nfs/dbraw/zinc/56/92/93/568569293.db2.gz ULQCURSDIJBFSO-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1Cl ZINC000224893989 568602706 /nfs/dbraw/zinc/60/27/06/568602706.db2.gz PEBMYDAUXZIJFJ-UHFFFAOYSA-N -1 1 409.769 3.826 40 0 HHABMM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009903506 569342603 /nfs/dbraw/zinc/34/26/03/569342603.db2.gz GUXPUPSKXVGMTB-NTUHNPAUSA-N -1 1 422.462 3.868 40 0 HHABMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010315250 569343649 /nfs/dbraw/zinc/34/36/49/569343649.db2.gz UWVCDDSDGMVAOM-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2nn(Cc3ccc(F)cc3)cc2Br)cc1 ZINC000014235121 962452207 /nfs/dbraw/zinc/45/22/07/962452207.db2.gz FGGGSMGNIDORSG-UHFFFAOYSA-N -1 1 424.295 3.942 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1N1CCCC1=O ZINC000005329566 557645047 /nfs/dbraw/zinc/64/50/47/557645047.db2.gz ONYGCQPUGGFTCW-UHFFFAOYSA-N -1 1 409.305 3.685 40 0 HHABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C)c(Br)c(C)c3)ccc21 ZINC000408676109 557680135 /nfs/dbraw/zinc/68/01/35/557680135.db2.gz AAZRVYFWDZSGGL-UHFFFAOYSA-N -1 1 423.332 3.776 40 0 HHABMM COc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000008033680 557770808 /nfs/dbraw/zinc/77/08/08/557770808.db2.gz VDRYMGJYKVDKFC-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM CCOc1ccc2nc(Nc3nc(-c4ccccc4OC)cc(=O)[n-]3)nc(C)c2c1 ZINC000010157425 557856415 /nfs/dbraw/zinc/85/64/15/557856415.db2.gz IFLWFMOKRGISCL-UHFFFAOYSA-N -1 1 403.442 3.839 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cc1 ZINC000020458529 558371482 /nfs/dbraw/zinc/37/14/82/558371482.db2.gz FLQHFPMTVYXRTL-UHFFFAOYSA-N -1 1 415.902 3.774 40 0 HHABMM COc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000016505622 558794916 /nfs/dbraw/zinc/79/49/16/558794916.db2.gz IQUNPTRPGZBZOX-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000046655222 558840884 /nfs/dbraw/zinc/84/08/84/558840884.db2.gz QZFKVCGISMAHJS-UHFFFAOYSA-N -1 1 402.422 3.696 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000055652342 558883830 /nfs/dbraw/zinc/88/38/30/558883830.db2.gz WTHQKMMGKSHDNR-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM CC(C)[C@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445585 558885765 /nfs/dbraw/zinc/88/57/65/558885765.db2.gz LWHAZXJGZZTREF-FQEVSTJZSA-N -1 1 405.433 3.579 40 0 HHABMM Cc1cc(C)n(CCc2nnc([N-]C(=O)c3cc(-c4ccc(C)cc4)on3)s2)n1 ZINC000019665771 558955889 /nfs/dbraw/zinc/95/58/89/558955889.db2.gz YUJKOPZZDNAISQ-UHFFFAOYSA-N -1 1 408.487 3.810 40 0 HHABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101104969 559143388 /nfs/dbraw/zinc/14/33/88/559143388.db2.gz VGAJYRKEVKPHAO-BHIFYINESA-N -1 1 400.434 3.746 40 0 HHABMM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000102734382 560731663 /nfs/dbraw/zinc/73/16/63/560731663.db2.gz ODAQEXPEXRLXOF-BHIFYINESA-N -1 1 400.434 3.746 40 0 HHABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Br)c1OCC ZINC000008339010 560754216 /nfs/dbraw/zinc/75/42/16/560754216.db2.gz UCXGHPMHOODOIF-UHFFFAOYSA-N -1 1 401.330 3.807 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000010112221 560764001 /nfs/dbraw/zinc/76/40/01/560764001.db2.gz TWDYKPIZFIRRLV-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCOC(C)C)cc2C)cc1 ZINC000010315019 560767504 /nfs/dbraw/zinc/76/75/04/560767504.db2.gz KLUBHYCGLKFRHW-UHFFFAOYSA-N -1 1 404.532 3.649 40 0 HHABMM Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585903 560817220 /nfs/dbraw/zinc/81/72/20/560817220.db2.gz SZMFHPVUHWMFSW-UHFFFAOYSA-N -1 1 418.540 3.760 40 0 HHABMM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000006576876 568455942 /nfs/dbraw/zinc/45/59/42/568455942.db2.gz ODAQEXPEXRLXOF-FKBYEOEOSA-N -1 1 400.434 3.746 40 0 HHABMM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1 ZINC000223633078 568554211 /nfs/dbraw/zinc/55/42/11/568554211.db2.gz ZLLPZTVRYQHAIX-UHFFFAOYSA-N -1 1 403.479 3.793 40 0 HHABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000223929510 568563329 /nfs/dbraw/zinc/56/33/29/568563329.db2.gz TYVWJLUOGFZQQN-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)c(Cl)c2)cc1 ZINC000224021108 568566700 /nfs/dbraw/zinc/56/67/00/568566700.db2.gz CDDYCAAKEQVQPG-UHFFFAOYSA-N -1 1 408.907 3.822 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1Cl ZINC000224560222 568585126 /nfs/dbraw/zinc/58/51/26/568585126.db2.gz CKCAFEZNQQOXAH-UHFFFAOYSA-N -1 1 400.909 3.830 40 0 HHABMM O=S(=O)([N-]c1ccc(-c2n[nH]c(=S)n2C[C@H]2CCCO2)cc1)c1ccccc1 ZINC000013533962 569004650 /nfs/dbraw/zinc/00/46/50/569004650.db2.gz QYEZSKVNNCRMKL-MRXNPFEDSA-N -1 1 416.528 3.587 40 0 HHABMM O=S(=O)(Nc1ccc(-c2n[n-]c(=S)n2C[C@H]2CCCO2)cc1)c1ccccc1 ZINC000013533962 569004651 /nfs/dbraw/zinc/00/46/51/569004651.db2.gz QYEZSKVNNCRMKL-MRXNPFEDSA-N -1 1 416.528 3.587 40 0 HHABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000015243136 132461445 /nfs/dbraw/zinc/46/14/45/132461445.db2.gz DRQCYYBMSFPFPQ-UHFFFAOYSA-N -1 1 409.305 3.549 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040400379 525330110 /nfs/dbraw/zinc/33/01/10/525330110.db2.gz KKDQDBHFOJCYEI-INIZCTEOSA-N -1 1 417.469 3.503 40 0 HHABMM O=C([O-])C1(c2ccccc2)CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000408549539 557396270 /nfs/dbraw/zinc/39/62/70/557396270.db2.gz ZRYYHCNMLPQOCE-UHFFFAOYSA-N -1 1 406.404 3.762 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1ccccc1 ZINC000408552104 557440645 /nfs/dbraw/zinc/44/06/45/557440645.db2.gz OFTRNWPMOJIDIC-UHFFFAOYSA-N -1 1 424.478 3.951 40 0 HHABMM CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)[n-]c1=O ZINC000005021660 557626816 /nfs/dbraw/zinc/62/68/16/557626816.db2.gz FJMNHDBUUAZEKT-UHFFFAOYSA-N -1 1 404.492 3.634 40 0 HHABMM Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010112921 557855894 /nfs/dbraw/zinc/85/58/94/557855894.db2.gz YHYHZURJSHMYCY-UHFFFAOYSA-N -1 1 424.478 3.819 40 0 HHABMM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010330431 557860655 /nfs/dbraw/zinc/86/06/55/557860655.db2.gz OOIAGHKFYXYAFA-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000012117099 558328757 /nfs/dbraw/zinc/32/87/57/558328757.db2.gz VEDSSJGBITUNHU-UHFFFAOYSA-N -1 1 421.522 3.908 40 0 HHABMM CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000021281324 558434887 /nfs/dbraw/zinc/43/48/87/558434887.db2.gz PGVQKJTVBCFLAI-UHFFFAOYSA-N -1 1 420.541 3.703 40 0 HHABMM CC(C)(C)c1cc(I)c([O-])c(I)c1 ZINC000038388871 558811292 /nfs/dbraw/zinc/81/12/92/558811292.db2.gz CZMBOODZJMDOJH-UHFFFAOYSA-N -1 1 402.013 3.899 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3F)c2)cc1 ZINC000055600201 558883633 /nfs/dbraw/zinc/88/36/33/558883633.db2.gz VSWGENZQGSWMRH-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM CC(C)Oc1ccc(CN[C@H](C)c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)cc1 ZINC000100769429 559140142 /nfs/dbraw/zinc/14/01/42/559140142.db2.gz LMIZSVISGSPKCR-MRXNPFEDSA-N -1 1 410.518 3.967 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1OC ZINC000004941213 560615907 /nfs/dbraw/zinc/61/59/07/560615907.db2.gz RNRPUHAWZCKRSU-UHFFFAOYSA-N -1 1 409.467 3.819 40 0 HHABMM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O)Nc1ccccc1F ZINC000408943047 560656618 /nfs/dbraw/zinc/65/66/18/560656618.db2.gz XWIFGIFBPWMBOZ-NVNXTCNLSA-N -1 1 406.822 3.860 40 0 HHABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000409026496 560668063 /nfs/dbraw/zinc/66/80/63/560668063.db2.gz QUNZYYWWBNOONH-UHFFFAOYSA-N -1 1 422.915 3.942 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCCCCC1 ZINC000008405202 560754653 /nfs/dbraw/zinc/75/46/53/560754653.db2.gz FKAFSFTYLMUEMN-UHFFFAOYSA-N -1 1 406.479 3.651 40 0 HHABMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010371518 560768582 /nfs/dbraw/zinc/76/85/82/560768582.db2.gz JWSQXMXJBMPWKX-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C ZINC000013585905 560817216 /nfs/dbraw/zinc/81/72/16/560817216.db2.gz SZRAGYVBLKJBKG-UHFFFAOYSA-N -1 1 418.540 3.705 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014396542 560841401 /nfs/dbraw/zinc/84/14/01/560841401.db2.gz JJNCGHVIKUTWPW-UHFFFAOYSA-N -1 1 424.469 3.646 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccnc3)c2)cc1 ZINC000216466823 568465565 /nfs/dbraw/zinc/46/55/65/568465565.db2.gz ABKLNTRAXYQHGR-UHFFFAOYSA-N -1 1 415.902 3.774 40 0 HHABMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000223255727 568542872 /nfs/dbraw/zinc/54/28/72/568542872.db2.gz XEWJGSDMSHKCJU-UHFFFAOYSA-N -1 1 407.469 3.506 40 0 HHABMM CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223923795 568563038 /nfs/dbraw/zinc/56/30/38/568563038.db2.gz XMGONKVVMJOSDY-UHFFFAOYSA-N -1 1 410.495 3.816 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2)ccc1C ZINC000223940101 568563735 /nfs/dbraw/zinc/56/37/35/568563735.db2.gz UHZWBGAGRUFJCV-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000223980334 568565169 /nfs/dbraw/zinc/56/51/69/568565169.db2.gz XCCGDGZXVHSNSV-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM Cc1cc(C(=O)N[C@H](C)COc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224000539 568565817 /nfs/dbraw/zinc/56/58/17/568565817.db2.gz AUJFFRKCNQNNKG-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2C)cc1 ZINC000224011094 568566244 /nfs/dbraw/zinc/56/62/44/568566244.db2.gz HZHUGOUEUJTYPP-UHFFFAOYSA-N -1 1 402.516 3.821 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)c(Cl)c2)cc1 ZINC000224023220 568566677 /nfs/dbraw/zinc/56/66/77/568566677.db2.gz XQBYBTNUHVYWFM-UHFFFAOYSA-N -1 1 420.874 3.672 40 0 HHABMM COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000224074312 568568640 /nfs/dbraw/zinc/56/86/40/568568640.db2.gz IPRXVFZFWQJDNG-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM Cc1cc(C)cc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224078040 568568845 /nfs/dbraw/zinc/56/88/45/568568845.db2.gz IDYYISGDOBOHQB-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1cccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000224078534 568568953 /nfs/dbraw/zinc/56/89/53/568568953.db2.gz KSNQMHRSXIHJFJ-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCOCc1ccccc1 ZINC000224078971 568568958 /nfs/dbraw/zinc/56/89/58/568568958.db2.gz VGFNSCZCCYDOAL-UHFFFAOYSA-N -1 1 424.522 3.742 40 0 HHABMM Cc1ccc(C(=O)NCCOc2ccccc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224083304 568569105 /nfs/dbraw/zinc/56/91/05/568569105.db2.gz XMSNXZPSHLNCJU-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1C(=O)NC(C)C ZINC000224226615 568574456 /nfs/dbraw/zinc/57/44/56/568574456.db2.gz IWHDIIBNWQUDON-UHFFFAOYSA-N -1 1 424.522 3.886 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1 ZINC000224521843 568583489 /nfs/dbraw/zinc/58/34/89/568583489.db2.gz IGFSUUZNANDEFC-UHFFFAOYSA-N -1 1 412.467 3.514 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000224571951 568585855 /nfs/dbraw/zinc/58/58/55/568585855.db2.gz BOEUWESPBIUUDA-UHFFFAOYSA-N -1 1 414.458 3.952 40 0 HHABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1C ZINC000225708466 568666544 /nfs/dbraw/zinc/66/65/44/568666544.db2.gz PHQCHQNAJDKQJS-UHFFFAOYSA-N -1 1 420.512 3.540 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1NC(=O)C(C)C ZINC000225860445 568681446 /nfs/dbraw/zinc/68/14/46/568681446.db2.gz LTGFPODNEFNXEP-UHFFFAOYSA-N -1 1 421.544 3.762 40 0 HHABMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010331666 569343842 /nfs/dbraw/zinc/34/38/42/569343842.db2.gz RULBLCNKLJWIHS-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM C[C@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000040385608 524993939 /nfs/dbraw/zinc/99/39/39/524993939.db2.gz BJSWUHRJEUOPRM-NSHDSACASA-N -1 1 411.918 3.876 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccncc3)c2)cc1 ZINC000044899897 525604511 /nfs/dbraw/zinc/60/45/11/525604511.db2.gz INKIGJXXMQMUSE-UHFFFAOYSA-N -1 1 415.902 3.774 40 0 HHABMM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408597272 557516691 /nfs/dbraw/zinc/51/66/91/557516691.db2.gz YHCKLIHAIISUBR-AWEZNQCLSA-N -1 1 410.923 3.824 40 0 HHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCCCC1 ZINC000408610738 557534126 /nfs/dbraw/zinc/53/41/26/557534126.db2.gz VMLIQEWSHPBWQI-UHFFFAOYSA-N -1 1 408.907 3.532 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(OC)c3)cc2)cc1 ZINC000005204153 557639940 /nfs/dbraw/zinc/63/99/40/557639940.db2.gz KFQLPORQQFQDON-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000005598749 557664575 /nfs/dbraw/zinc/66/45/75/557664575.db2.gz JOAXKIYEAGDMQV-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000408689200 557705644 /nfs/dbraw/zinc/70/56/44/557705644.db2.gz XUHBTXBJROHPRJ-UHFFFAOYSA-N -1 1 423.332 3.721 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1N1CCCC1=O ZINC000020489889 558377625 /nfs/dbraw/zinc/37/76/25/558377625.db2.gz XOBPJDFWORLXEL-UHFFFAOYSA-N -1 1 415.298 3.930 40 0 HHABMM CCOc1cccc2c(C)nc(Nc3nc(-c4ccccc4OC)cc(=O)[n-]3)nc12 ZINC000020633993 558395456 /nfs/dbraw/zinc/39/54/56/558395456.db2.gz YXRILDGPXFCQEL-UHFFFAOYSA-N -1 1 403.442 3.839 40 0 HHABMM COc1ccc2nc(Nc3nc(C)c(Cc4cccc(C)c4)c(=O)[n-]3)nc(C)c2c1 ZINC000020797966 558414918 /nfs/dbraw/zinc/41/49/18/558414918.db2.gz IWFNBYNCEHCNEQ-UHFFFAOYSA-N -1 1 401.470 3.981 40 0 HHABMM CCSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000021281334 558434860 /nfs/dbraw/zinc/43/48/60/558434860.db2.gz AJJVHGKSPODIMH-UHFFFAOYSA-N -1 1 420.541 3.703 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccccc3)c2)cc1 ZINC000015554571 558743719 /nfs/dbraw/zinc/74/37/19/558743719.db2.gz YXMVWECFEBFCNZ-UHFFFAOYSA-N -1 1 410.495 3.605 40 0 HHABMM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1)c1ccccc1 ZINC000019369023 558877744 /nfs/dbraw/zinc/87/77/44/558877744.db2.gz IOKSTRSPSXNUAY-OAQYLSRUSA-N -1 1 414.440 3.685 40 0 HHABMM Cc1c(C(=O)N[C@@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C(C)C)c2ccccc2n1C ZINC000019581773 558937189 /nfs/dbraw/zinc/93/71/89/558937189.db2.gz QFKRDUIRSSKWIQ-JOCHJYFZSA-N -1 1 415.497 3.759 40 0 HHABMM O=C1N[C@@H](c2ccc(F)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736344 560726199 /nfs/dbraw/zinc/72/61/99/560726199.db2.gz DJBWFJHVCRDNDT-GRDNDAEWSA-N -1 1 416.758 3.583 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(=O)N1CCCCCC1 ZINC000007360822 560750349 /nfs/dbraw/zinc/75/03/49/560750349.db2.gz MPCNZAWODNTYMJ-UHFFFAOYSA-N -1 1 402.516 3.821 40 0 HHABMM CCc1ccc2nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939105 560760846 /nfs/dbraw/zinc/76/08/46/560760846.db2.gz WUNCNGJCCKTRDZ-UHFFFAOYSA-N -1 1 419.514 3.718 40 0 HHABMM Cc1cc(C)c2nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939115 560760905 /nfs/dbraw/zinc/76/09/05/560760905.db2.gz ACGZTVNDXGBBEX-UHFFFAOYSA-N -1 1 419.514 3.773 40 0 HHABMM O=C(NCCCc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000010112604 560764193 /nfs/dbraw/zinc/76/41/93/560764193.db2.gz ZGEUFTLJYBTNQI-UHFFFAOYSA-N -1 1 412.486 3.989 40 0 HHABMM O=C1N[C@@H](c2c(F)cccc2Cl)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000170595630 560767601 /nfs/dbraw/zinc/76/76/01/560767601.db2.gz MQQPRDGKIBHENW-ZQIUZPCESA-N -1 1 416.758 3.583 40 0 HHABMM CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000014154794 560840075 /nfs/dbraw/zinc/84/00/75/560840075.db2.gz BMLFHZIZKXMGOX-UHFFFAOYSA-N -1 1 404.532 3.569 40 0 HHABMM COc1ccc(-n2nc3[nH]c(CSc4ccc(Cl)cc4)cc(=O)c3c2[O-])cc1 ZINC000017089714 560864570 /nfs/dbraw/zinc/86/45/70/560864570.db2.gz NGBJNQQZJVTPMN-UHFFFAOYSA-N -1 1 413.886 3.961 40 0 HHABMM COc1ccc(-n2nc3[nH]c(CSc4ccc(Cl)cc4)cc([O-])c-3c2=O)cc1 ZINC000017089714 560864571 /nfs/dbraw/zinc/86/45/71/560864571.db2.gz NGBJNQQZJVTPMN-UHFFFAOYSA-N -1 1 413.886 3.961 40 0 HHABMM CCc1n[n-]c(=S)n1NCc1cc(Br)cc(Br)c1OC ZINC000022110532 568475494 /nfs/dbraw/zinc/47/54/94/568475494.db2.gz CLWHSDCYHDAWMK-UHFFFAOYSA-N -1 1 422.146 3.780 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CCCCC1 ZINC000026116045 568540686 /nfs/dbraw/zinc/54/06/86/568540686.db2.gz DJXNKTUGUZKWSX-UHFFFAOYSA-N -1 1 408.520 3.975 40 0 HHABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OCc3ccccc3)cc1)oc(=O)n2C ZINC000223336754 568545619 /nfs/dbraw/zinc/54/56/19/568545619.db2.gz ZGVNMQBKCDTQRJ-UHFFFAOYSA-N -1 1 424.478 3.820 40 0 HHABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(F)cc1 ZINC000223755974 568558249 /nfs/dbraw/zinc/55/82/49/568558249.db2.gz MMIRNSMNJHFMAV-UHFFFAOYSA-N -1 1 424.450 3.566 40 0 HHABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000223824064 568559973 /nfs/dbraw/zinc/55/99/73/568559973.db2.gz YAVHEMXSUWPVTO-UHFFFAOYSA-N -1 1 405.472 3.539 40 0 HHABMM O=C(NCCCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223927066 568563117 /nfs/dbraw/zinc/56/31/17/568563117.db2.gz OWNXOENULUYPGP-UHFFFAOYSA-N -1 1 412.486 3.989 40 0 HHABMM Cc1cccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000223928143 568563325 /nfs/dbraw/zinc/56/33/25/568563325.db2.gz LWCOVRBMIKKVPU-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000223982363 568565359 /nfs/dbraw/zinc/56/53/59/568565359.db2.gz VIVVLBRQYWFTQN-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM Cc1ccc(C)c(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224007371 568566010 /nfs/dbraw/zinc/56/60/10/568566010.db2.gz MNZVZWVXSFGEIE-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccc(C(=O)NCc2ccco2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224051151 568567808 /nfs/dbraw/zinc/56/78/08/568567808.db2.gz RMSUNYSWRWSUFY-UHFFFAOYSA-N -1 1 404.875 3.972 40 0 HHABMM COCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224065357 568568303 /nfs/dbraw/zinc/56/83/03/568568303.db2.gz VMWQASSYKVHROH-UHFFFAOYSA-N -1 1 417.314 3.561 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3)cc2C)cc1 ZINC000224090563 568569508 /nfs/dbraw/zinc/56/95/08/568569508.db2.gz UPVKXIAPLWZVQJ-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000224542256 568584402 /nfs/dbraw/zinc/58/44/02/568584402.db2.gz AQCYLCBKWHTROY-NRFANRHFSA-N -1 1 424.478 3.574 40 0 HHABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225706664 568666382 /nfs/dbraw/zinc/66/63/82/568666382.db2.gz KNVITLNFYMLXOO-UHFFFAOYSA-N -1 1 420.512 3.540 40 0 HHABMM CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000226080378 568693403 /nfs/dbraw/zinc/69/34/03/568693403.db2.gz QRFRJMYPQOYSFT-UHFFFAOYSA-N -1 1 410.923 3.682 40 0 HHABMM O=C([O-])CCCCCN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575422309 569026136 /nfs/dbraw/zinc/02/61/36/569026136.db2.gz UWBMSVPTJCXGLM-NRFANRHFSA-N -1 1 415.555 3.910 40 0 HHABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000253575225 569318041 /nfs/dbraw/zinc/31/80/41/569318041.db2.gz UIRUGOZPXRSKLF-CVEARBPZSA-N -1 1 423.517 3.578 40 0 HHABMM Cc1nnc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])[nH]1 ZINC000006588260 569333570 /nfs/dbraw/zinc/33/35/70/569333570.db2.gz ZBLPVTSSEUQTQI-YVLHZVERSA-N -1 1 412.427 3.818 40 0 HHABMM Cc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])n[nH]1 ZINC000006588260 569333572 /nfs/dbraw/zinc/33/35/72/569333572.db2.gz ZBLPVTSSEUQTQI-YVLHZVERSA-N -1 1 412.427 3.818 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1C(=O)N1CCCCC1 ZINC000007361513 569337310 /nfs/dbraw/zinc/33/73/10/569337310.db2.gz LYILQWOWVOQPCL-UHFFFAOYSA-N -1 1 420.556 3.844 40 0 HHABMM COc1ccc(N2Oc3c(O)n(-c4ccc(F)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000018121883 569383693 /nfs/dbraw/zinc/38/36/93/569383693.db2.gz DMTLHMBJHHIBLA-BHIFYINESA-N -1 1 418.424 3.885 40 0 HHABMM Cc1ccc(Cn2cc(Br)c([N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000014235427 962451941 /nfs/dbraw/zinc/45/19/41/962451941.db2.gz LERITKAOVDFVSV-UHFFFAOYSA-N -1 1 424.295 3.942 40 0 HHABMM CC1CCN(c2nc(N)c(C(=S)Nc3cc(Cl)cc(Cl)c3)c(=O)[n-]2)CC1 ZINC000040385560 521046592 /nfs/dbraw/zinc/04/65/92/521046592.db2.gz SXJNJORVBDSWKK-UHFFFAOYSA-N -1 1 412.346 3.683 40 0 HHABMM Cc1nc2nc(N3CCOCC3)[n-]c(=O)c2c(=S)n1-c1ccc2ccccc2c1 ZINC000040386869 527201338 /nfs/dbraw/zinc/20/13/38/527201338.db2.gz RPFMLOBINVDNEJ-UHFFFAOYSA-N -1 1 405.483 3.549 40 0 HHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1)N1CCCC1 ZINC000408559630 557456929 /nfs/dbraw/zinc/45/69/29/557456929.db2.gz AJPAQQIDKXCWON-UHFFFAOYSA-N -1 1 424.320 3.878 40 0 HHABMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1Cl ZINC000408589881 557499605 /nfs/dbraw/zinc/49/96/05/557499605.db2.gz GHQGLVWCBQGFON-UHFFFAOYSA-N -1 1 410.923 3.844 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)N1CCCC1 ZINC000408595677 557513501 /nfs/dbraw/zinc/51/35/01/557513501.db2.gz RAHBHCBWEXSYFF-UHFFFAOYSA-N -1 1 423.332 3.794 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(OC)c3)c2)cc1 ZINC000005184744 557639061 /nfs/dbraw/zinc/63/90/61/557639061.db2.gz HYHDGDLHGMTXJZ-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000006316602 557699087 /nfs/dbraw/zinc/69/90/87/557699087.db2.gz RMVZKXJZYJRJME-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM Cc1ccc2c(C)nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[n-]3)nc2c1 ZINC000019817393 558287616 /nfs/dbraw/zinc/28/76/16/558287616.db2.gz FNKYSSQTTJIEDZ-UHFFFAOYSA-N -1 1 419.514 3.773 40 0 HHABMM COc1cccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000022411835 558488055 /nfs/dbraw/zinc/48/80/55/558488055.db2.gz MMOLCVRPRNCHPL-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000015139605 558724972 /nfs/dbraw/zinc/72/49/72/558724972.db2.gz VCFQPZROTORKFI-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000018075103 558830517 /nfs/dbraw/zinc/83/05/17/558830517.db2.gz BYPQVLNKVKKRNV-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 ZINC000055629863 558883679 /nfs/dbraw/zinc/88/36/79/558883679.db2.gz AELKJRNMAWIPNG-UHFFFAOYSA-N -1 1 414.458 3.565 40 0 HHABMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000058611679 558929010 /nfs/dbraw/zinc/92/90/10/558929010.db2.gz OPPAKGIHVVUMDE-UHFFFAOYSA-N -1 1 403.481 3.683 40 0 HHABMM Cc1nc(-c2ccccc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019579524 558935199 /nfs/dbraw/zinc/93/51/99/558935199.db2.gz RVBFRRLCWGPWHC-AWEZNQCLSA-N -1 1 404.495 3.775 40 0 HHABMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 ZINC000013996899 559132597 /nfs/dbraw/zinc/13/25/97/559132597.db2.gz GNKBQEXYZZRNCI-UHFFFAOYSA-N -1 1 416.480 3.808 40 0 HHABMM O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(SCc3ccccc3)nc2N1 ZINC000004944460 560616437 /nfs/dbraw/zinc/61/64/37/560616437.db2.gz PGZCTRUBIAHBJB-CQSZACIVSA-N -1 1 407.451 3.677 40 0 HHABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409142372 560681974 /nfs/dbraw/zinc/68/19/74/560681974.db2.gz LAZHRYJKNWAKRN-PDGQHHTCSA-N -1 1 411.527 3.930 40 0 HHABMM COc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1OC ZINC000013567262 560813879 /nfs/dbraw/zinc/81/38/79/560813879.db2.gz LIPSPIJPVRFVNQ-OAHLLOKOSA-N -1 1 423.494 3.554 40 0 HHABMM CSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)s1 ZINC000223238829 568542159 /nfs/dbraw/zinc/54/21/59/568542159.db2.gz TYQUTKVCEKRJIM-UHFFFAOYSA-N -1 1 420.541 3.622 40 0 HHABMM O=S(=O)([N-]c1cccc(OCCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000223645839 568554649 /nfs/dbraw/zinc/55/46/49/568554649.db2.gz IWQXHHUZXZYBMS-UHFFFAOYSA-N -1 1 411.479 3.880 40 0 HHABMM Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)n2)c1 ZINC000223654155 568555019 /nfs/dbraw/zinc/55/50/19/568555019.db2.gz HBUCGVNQCMPFQB-UHFFFAOYSA-N -1 1 412.298 3.971 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2C)cc1 ZINC000224011806 568566414 /nfs/dbraw/zinc/56/64/14/568566414.db2.gz FTOCGCGIJZNBPX-GCKMJXCFSA-N -1 1 414.527 3.723 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000224036639 568567138 /nfs/dbraw/zinc/56/71/38/568567138.db2.gz ZDBNXYNHWSFUKV-MRXNPFEDSA-N -1 1 410.495 3.987 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CCCC3)c2)cc1 ZINC000224068722 568568500 /nfs/dbraw/zinc/56/85/00/568568500.db2.gz IGMOTFPOVBKZKZ-UHFFFAOYSA-N -1 1 408.907 3.822 40 0 HHABMM CSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)s1 ZINC000225001161 568608187 /nfs/dbraw/zinc/60/81/87/568608187.db2.gz LACKLYBRTPJWFQ-UHFFFAOYSA-N -1 1 420.541 3.622 40 0 HHABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1C ZINC000225016441 568609402 /nfs/dbraw/zinc/60/94/02/568609402.db2.gz ZDCQEPFICWMPND-UHFFFAOYSA-N -1 1 422.528 3.653 40 0 HHABMM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@@H+](Cc4cccc(C(=O)[O-])c4)[C@@H]3C[C@@H]21 ZINC000257312165 568807877 /nfs/dbraw/zinc/80/78/77/568807877.db2.gz UMTFUJUSADOGPS-IZZBFERCSA-N -1 1 409.482 3.982 40 0 HHABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000044849551 523910390 /nfs/dbraw/zinc/91/03/90/523910390.db2.gz VJVQVNSLVFFZJG-UHFFFAOYSA-N -1 1 410.495 3.986 40 0 HHABMM CCCCOC(=O)c1cc(NC(=O)CSc2nc(C)cc(=O)[n-]2)ccc1Cl ZINC000408544125 557360893 /nfs/dbraw/zinc/36/08/93/557360893.db2.gz SDDLLSIUIUPSGF-UHFFFAOYSA-N -1 1 409.895 3.832 40 0 HHABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c1 ZINC000408545010 557363283 /nfs/dbraw/zinc/36/32/83/557363283.db2.gz LVQJPGADTUTBHR-UHFFFAOYSA-N -1 1 418.559 3.958 40 0 HHABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408575752 557479169 /nfs/dbraw/zinc/47/91/69/557479169.db2.gz QIFIHLMDMZFPMO-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408590343 557499783 /nfs/dbraw/zinc/49/97/83/557499783.db2.gz GDIDODYRRDLIEL-UHFFFAOYSA-N -1 1 423.796 3.711 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000005184748 557639074 /nfs/dbraw/zinc/63/90/74/557639074.db2.gz WRLZXGWKUJPGEC-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000005598761 557664613 /nfs/dbraw/zinc/66/46/13/557664613.db2.gz LCUPRKONEPVRJM-UHFFFAOYSA-N -1 1 400.431 3.887 40 0 HHABMM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)ccc1Br ZINC000019932150 558310675 /nfs/dbraw/zinc/31/06/75/558310675.db2.gz IPYSAFKENHIAAD-UHFFFAOYSA-N -1 1 423.332 3.994 40 0 HHABMM COc1ccc(-n2nc3cc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000020611275 558391361 /nfs/dbraw/zinc/39/13/61/558391361.db2.gz HDEXUHGMVOZSRA-UHFFFAOYSA-N -1 1 408.483 3.847 40 0 HHABMM Cc1cc([O-])c(CC(Cc2c(O)cc(C)oc2=O)c2cccc(Cl)c2)c(=O)o1 ZINC000016756432 558805807 /nfs/dbraw/zinc/80/58/07/558805807.db2.gz DGVSMEDOBASZOR-UHFFFAOYSA-N -1 1 402.830 3.843 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1OC ZINC000057122913 558887807 /nfs/dbraw/zinc/88/78/07/558887807.db2.gz DEFVSWGZLHJIDS-UHFFFAOYSA-N -1 1 418.515 3.567 40 0 HHABMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@]2(CCN2c2ccc3nccnc3c2)C1 ZINC000585101730 559024737 /nfs/dbraw/zinc/02/47/37/559024737.db2.gz CBBOYKYANRHJQQ-JOCHJYFZSA-N -1 1 408.889 3.874 40 0 HHABMM CCCCCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccc(OC)cc3[nH]2)C1 ZINC000514288370 560035262 /nfs/dbraw/zinc/03/52/62/560035262.db2.gz BIGKPZGVEQNRRK-HOTGVXAUSA-N -1 1 401.507 3.634 40 0 biogenic,in-vitro HHABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1cccc(F)c1 ZINC000409236509 560699176 /nfs/dbraw/zinc/69/91/76/560699176.db2.gz SMMFFZSHUAHALX-VIZOYTHASA-N -1 1 406.822 3.860 40 0 HHABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OC)c(OCC)c1 ZINC000007601368 560751731 /nfs/dbraw/zinc/75/17/31/560751731.db2.gz XCVLFYGMCKSSKG-UHFFFAOYSA-N -1 1 401.330 3.807 40 0 HHABMM CCc1nnc(S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)[O-])o1 ZINC000007603398 560751850 /nfs/dbraw/zinc/75/18/50/560751850.db2.gz PKPWQVKWOMLRSX-WTKPLQERSA-N -1 1 405.657 3.971 40 0 HHABMM Cc1cc(C)nc(SCc2cc(=O)[n-]c(Nc3nc(C)c4cccc(C)c4n3)n2)n1 ZINC000009939150 560760909 /nfs/dbraw/zinc/76/09/09/560760909.db2.gz PDAGQNFIHPBQEF-UHFFFAOYSA-N -1 1 419.514 3.773 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)N1CCCCCC1 ZINC000113939520 560806509 /nfs/dbraw/zinc/80/65/09/560806509.db2.gz UTLOWXOTXIJCOC-UHFFFAOYSA-N -1 1 424.469 3.790 40 0 HHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)c1 ZINC000014155835 560840287 /nfs/dbraw/zinc/84/02/87/560840287.db2.gz AJWSKEVSSXCGOE-UHFFFAOYSA-N -1 1 409.511 3.738 40 0 HHABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 ZINC000223224598 568541543 /nfs/dbraw/zinc/54/15/43/568541543.db2.gz FIYPEVHTYJWIAW-UHFFFAOYSA-N -1 1 422.528 3.653 40 0 HHABMM C[C@@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223930197 568563369 /nfs/dbraw/zinc/56/33/69/568563369.db2.gz YJSBQJRYUJIFBP-KRWDZBQOSA-N -1 1 410.495 3.685 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2C)cc1 ZINC000224009274 568566123 /nfs/dbraw/zinc/56/61/23/568566123.db2.gz QLNJLBZZWVCFRQ-UHFFFAOYSA-N -1 1 424.522 3.777 40 0 HHABMM COc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000224075821 568568738 /nfs/dbraw/zinc/56/87/38/568568738.db2.gz FABJDJIUVHQFCM-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM Cc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224088891 568569347 /nfs/dbraw/zinc/56/93/47/568569347.db2.gz ZGUXRTGWXIMTKP-UHFFFAOYSA-N -1 1 424.522 3.913 40 0 HHABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(C)=O ZINC000224156094 568571795 /nfs/dbraw/zinc/57/17/95/568571795.db2.gz UGMVRICTIKDRJA-UHFFFAOYSA-N -1 1 415.334 3.930 40 0 HHABMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 ZINC000225188403 568621284 /nfs/dbraw/zinc/62/12/84/568621284.db2.gz NHBBAGKUGUMMCM-UHFFFAOYSA-N -1 1 408.545 3.950 40 0 HHABMM CCc1nc(SC(=Cc2cc(Cl)cc(Br)c2O)C(=O)[O-])n[nH]1 ZINC000007342591 569337120 /nfs/dbraw/zinc/33/71/20/569337120.db2.gz YOGHYHNKJRGHHI-WTKPLQERSA-N -1 1 404.673 3.706 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000007363442 569337483 /nfs/dbraw/zinc/33/74/83/569337483.db2.gz DAOUROKBIUNUOH-UHFFFAOYSA-N -1 1 416.543 3.985 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000008560504 569341756 /nfs/dbraw/zinc/34/17/56/569341756.db2.gz ZWGKTIHLFVMZHS-UHFFFAOYSA-N -1 1 408.907 3.776 40 0 HHABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC000010314700 569343444 /nfs/dbraw/zinc/34/34/44/569343444.db2.gz FQNNSJKEGDOGKC-UHFFFAOYSA-N -1 1 412.467 3.757 40 0 HHABMM COc1cccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])c1 ZINC000213371037 569356068 /nfs/dbraw/zinc/35/60/68/569356068.db2.gz MDTPXXFSCYBLHS-IUXPMGMMSA-N -1 1 413.455 3.715 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000040400517 525330437 /nfs/dbraw/zinc/33/04/37/525330437.db2.gz MLANXVRKYFXLAN-MRXNPFEDSA-N -1 1 417.469 3.503 40 0 HHABMM Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408547662 557370415 /nfs/dbraw/zinc/37/04/15/557370415.db2.gz KTOQSRJQTZDEQI-UHFFFAOYSA-N -1 1 410.451 3.777 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)NC(C)C ZINC000408601795 557522459 /nfs/dbraw/zinc/52/24/59/557522459.db2.gz HKVZTDZDDXDVEC-UHFFFAOYSA-N -1 1 400.422 3.953 40 0 HHABMM O=C1N[C@@H](c2ccccc2F)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163777 557522671 /nfs/dbraw/zinc/52/26/71/557522671.db2.gz KHYAUCQBMIYWPD-ZQIUZPCESA-N -1 1 416.758 3.583 40 0 HHABMM COC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010336726 557861224 /nfs/dbraw/zinc/86/12/24/557861224.db2.gz UKNYAUACMDROSJ-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000013680821 558566424 /nfs/dbraw/zinc/56/64/24/558566424.db2.gz IGXQCLDDQARWJS-UHFFFAOYSA-N -1 1 422.812 3.528 40 0 HHABMM CN1c2ccccc2[C@@H](NCCCCCCC(=O)[O-])c2ccccc2S1(=O)=O ZINC000049538511 558849998 /nfs/dbraw/zinc/84/99/98/558849998.db2.gz JMFDJSZIOWLQSP-OAQYLSRUSA-N -1 1 402.516 3.539 40 0 in-vitro HHABMM O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1cccn1-c1ccccc1Cl)C2 ZINC000019368483 558877486 /nfs/dbraw/zinc/87/74/86/558877486.db2.gz KBGOWUXPUGVHAX-UHFFFAOYSA-N -1 1 417.900 3.834 40 0 HHABMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(Cl)cc1Br ZINC000096305774 559109100 /nfs/dbraw/zinc/10/91/00/559109100.db2.gz RREISYDUTCDDJG-UHFFFAOYSA-N -1 1 404.669 3.910 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C ZINC000006471858 559206736 /nfs/dbraw/zinc/20/67/36/559206736.db2.gz BFXIEVDKOUGOBT-UHFFFAOYSA-N -1 1 404.271 3.654 40 0 HHABMM COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O ZINC000409199139 560690879 /nfs/dbraw/zinc/69/08/79/560690879.db2.gz BPAGAPRMOLJJRZ-SXGWCWSVSA-N -1 1 418.858 3.729 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)c(C)c1 ZINC000409410302 560721252 /nfs/dbraw/zinc/72/12/52/560721252.db2.gz MHGALBUCEDAPJR-UHFFFAOYSA-N -1 1 409.511 3.738 40 0 HHABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)ccc1O ZINC000013567305 560813903 /nfs/dbraw/zinc/81/39/03/560813903.db2.gz ZVPHFTRNBMVFHS-HNNXBMFYSA-N -1 1 423.494 3.559 40 0 HHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCCC2)cc1 ZINC000223422871 568548521 /nfs/dbraw/zinc/54/85/21/568548521.db2.gz VFRNIXMZFPONHV-UHFFFAOYSA-N -1 1 402.516 3.961 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC000223755591 568558159 /nfs/dbraw/zinc/55/81/59/568558159.db2.gz NFMIUUSWDOKUGC-UHFFFAOYSA-N -1 1 420.487 3.736 40 0 HHABMM COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223919371 568562915 /nfs/dbraw/zinc/56/29/15/568562915.db2.gz BGNMXKBINVPCMU-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM Cc1ccc(C(=O)NCCOCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223938868 568563737 /nfs/dbraw/zinc/56/37/37/568563737.db2.gz MFIWYRYCWFHXNL-UHFFFAOYSA-N -1 1 424.522 3.742 40 0 HHABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)COc3ccccc3)c2)c1 ZINC000223953368 568564293 /nfs/dbraw/zinc/56/42/93/568564293.db2.gz VQGQNEDTQKFGGZ-GOSISDBHSA-N -1 1 424.522 3.993 40 0 HHABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224006371 568565967 /nfs/dbraw/zinc/56/59/67/568565967.db2.gz VHPMXOJJVVMDLC-UHFFFAOYSA-N -1 1 410.923 3.606 40 0 HHABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)cc1C ZINC000224030884 568567026 /nfs/dbraw/zinc/56/70/26/568567026.db2.gz RXVZSXZSONRUKW-UHFFFAOYSA-N -1 1 402.516 3.739 40 0 HHABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c(C)c1 ZINC000225315728 568629410 /nfs/dbraw/zinc/62/94/10/568629410.db2.gz MKINKLCWPSEGHA-UHFFFAOYSA-N -1 1 422.528 3.653 40 0 HHABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040400377 525329000 /nfs/dbraw/zinc/32/90/00/525329000.db2.gz VSGLDTLLAVFEIA-QGZVFWFLSA-N -1 1 417.469 3.503 40 0 HHABMM CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408545694 557367250 /nfs/dbraw/zinc/36/72/50/557367250.db2.gz MLYCGUDZQSTFRA-UHFFFAOYSA-N -1 1 404.532 3.569 40 0 HHABMM CC(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408550161 557425432 /nfs/dbraw/zinc/42/54/32/557425432.db2.gz AQEAOLXYDWHEAW-UHFFFAOYSA-N -1 1 417.314 3.698 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)NC1CCCCC1 ZINC000408557124 557453875 /nfs/dbraw/zinc/45/38/75/557453875.db2.gz LEOWVJWDJKAZEE-UHFFFAOYSA-N -1 1 416.499 3.587 40 0 HHABMM COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c1 ZINC000408557477 557454312 /nfs/dbraw/zinc/45/43/12/557454312.db2.gz MYMOGWAKAIPGLR-UHFFFAOYSA-N -1 1 402.516 3.867 40 0 HHABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000003570049 557493594 /nfs/dbraw/zinc/49/35/94/557493594.db2.gz BAZWKBQIPVPAJO-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408605636 557517878 /nfs/dbraw/zinc/51/78/78/557517878.db2.gz NEPTWGYEAOESCH-HNNXBMFYSA-N -1 1 422.572 3.749 40 0 HHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCCCCC1 ZINC000408610739 557534117 /nfs/dbraw/zinc/53/41/17/557534117.db2.gz VMNAKRWFMDNJSV-UHFFFAOYSA-N -1 1 422.934 3.922 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)NC(C)C ZINC000010009042 557853557 /nfs/dbraw/zinc/85/35/57/557853557.db2.gz CTXALYNVTJJYBE-UHFFFAOYSA-N -1 1 417.314 3.941 40 0 HHABMM COc1ccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010357313 557861605 /nfs/dbraw/zinc/86/16/05/557861605.db2.gz IJBKXVDTAJSEAT-UHFFFAOYSA-N -1 1 410.495 3.734 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1N1CCCC1=O ZINC000020459625 558371945 /nfs/dbraw/zinc/37/19/45/558371945.db2.gz YFARDEQERMQWBQ-UHFFFAOYSA-N -1 1 414.405 3.642 40 0 HHABMM COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000047156092 558841785 /nfs/dbraw/zinc/84/17/85/558841785.db2.gz PKNGUWCKIJPGDA-UHFFFAOYSA-N -1 1 410.451 3.526 40 0 HHABMM Cc1cccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c1 ZINC000019234841 558854028 /nfs/dbraw/zinc/85/40/28/558854028.db2.gz NZRKTOLXHMCJBI-HSZRJFAPSA-N -1 1 424.504 3.783 40 0 HHABMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000042266852 559156511 /nfs/dbraw/zinc/15/65/11/559156511.db2.gz PAIKEFODXYOZFA-UHFFFAOYSA-N -1 1 410.698 3.751 40 0 HHABMM O=C([O-])c1ccccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000408831950 560645695 /nfs/dbraw/zinc/64/56/95/560645695.db2.gz WJVBPEQPPKVYKF-UHFFFAOYSA-N -1 1 415.493 3.959 40 0 HHABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCC(N)=O ZINC000408987696 560661859 /nfs/dbraw/zinc/66/18/59/560661859.db2.gz GIVWXNFGWWQLON-UHFFFAOYSA-N -1 1 413.499 3.596 40 0 HHABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000409228864 560698415 /nfs/dbraw/zinc/69/84/15/560698415.db2.gz GDOOUQJWZGCQHL-UHFFFAOYSA-N -1 1 423.796 3.711 40 0 HHABMM O=C1N[C@@H](c2cccs2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000101249969 560728340 /nfs/dbraw/zinc/72/83/40/560728340.db2.gz FPEQHSJHBCNENB-SLEUVZQESA-N -1 1 404.797 3.505 40 0 HHABMM Cc1nnc(SC(=Cc2cc(Br)c(N3CCCCC3)o2)C(=O)[O-])[nH]1 ZINC000006455876 560742431 /nfs/dbraw/zinc/74/24/31/560742431.db2.gz HBNIDCICNBRUHY-WQLSENKSSA-N -1 1 413.297 3.677 40 0 HHABMM Cc1nc(SC(=Cc2cc(Br)c(N3CCCCC3)o2)C(=O)[O-])n[nH]1 ZINC000006455876 560742432 /nfs/dbraw/zinc/74/24/32/560742432.db2.gz HBNIDCICNBRUHY-WQLSENKSSA-N -1 1 413.297 3.677 40 0 HHABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCC)c(OC)c1 ZINC000007601358 560751689 /nfs/dbraw/zinc/75/16/89/560751689.db2.gz SEJNNRRUQQSLRZ-UHFFFAOYSA-N -1 1 401.330 3.807 40 0 HHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN(C)c3ccccc3)cc2)cc1 ZINC000010112617 560764202 /nfs/dbraw/zinc/76/42/02/560764202.db2.gz UUTJGSNYFCHMCY-UHFFFAOYSA-N -1 1 423.538 3.662 40 0 HHABMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC ZINC000013567283 560813921 /nfs/dbraw/zinc/81/39/21/560813921.db2.gz JMUXPCMMZIUCQX-HNNXBMFYSA-N -1 1 423.494 3.554 40 0 HHABMM COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000013567271 560813942 /nfs/dbraw/zinc/81/39/42/560813942.db2.gz CWUDTRLBTFXZDB-INIZCTEOSA-N -1 1 423.494 3.554 40 0 HHABMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000013567430 560814027 /nfs/dbraw/zinc/81/40/27/560814027.db2.gz ZYFVHDRXCGDMEC-OAHLLOKOSA-N -1 1 421.478 3.573 40 0 HHABMM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000223318191 568545090 /nfs/dbraw/zinc/54/50/90/568545090.db2.gz NSUGTBFKYOUZHB-UHFFFAOYSA-N -1 1 406.769 3.903 40 0 HHABMM COC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223423916 568548466 /nfs/dbraw/zinc/54/84/66/568548466.db2.gz DRWAPZUVTOKBNW-INIZCTEOSA-N -1 1 420.531 3.808 40 0 HHABMM COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223924313 568563176 /nfs/dbraw/zinc/56/31/76/568563176.db2.gz VYYZMXSTLKHVJG-MRXNPFEDSA-N -1 1 410.495 3.987 40 0 HHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000224036722 568567124 /nfs/dbraw/zinc/56/71/24/568567124.db2.gz FCTQYMYLKDXWRM-UHFFFAOYSA-N -1 1 410.495 3.768 40 0 HHABMM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000224573334 568585853 /nfs/dbraw/zinc/58/58/53/568585853.db2.gz OCVORALDXFSDDM-UHFFFAOYSA-N -1 1 412.467 3.514 40 0 HHABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000253575226 569318071 /nfs/dbraw/zinc/31/80/71/569318071.db2.gz UIRUGOZPXRSKLF-HZPDHXFCSA-N -1 1 423.517 3.578 40 0 HHABMM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000022410345 569349810 /nfs/dbraw/zinc/34/98/10/569349810.db2.gz QPNTVANKXGHKQO-UHFFFAOYSA-N -1 1 424.478 3.835 40 0 HHABMM