smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(N2CCCCC2)cc1 ZINC000012549421 132363038 /nfs/dbraw/zinc/36/30/38/132363038.db2.gz RMNTVZRHRZNUFO-UHFFFAOYSA-N -1 3 405.495 3.123 50 0 HGAAHM CCOC(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000032905349 521505342 /nfs/dbraw/zinc/50/53/42/521505342.db2.gz ZAXYLNWGAMXHAO-UHFFFAOYSA-N -1 3 411.458 3.452 50 0 HGAAHM COc1cc(CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C2CC2)ccc1OC(F)F ZINC000032841795 522337142 /nfs/dbraw/zinc/33/71/42/522337142.db2.gz HOYBVHITCLYEKY-UHFFFAOYSA-N -1 3 421.444 3.121 50 0 HGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](C)c3ccccc3Cl)cc(C3CC3)nc21 ZINC000032078838 523090153 /nfs/dbraw/zinc/09/01/53/523090153.db2.gz PKLLOHPXWHHLEH-NSHDSACASA-N -1 3 412.877 3.127 50 0 HGAAHM Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)n1C(C)C ZINC000032672061 524197317 /nfs/dbraw/zinc/19/73/17/524197317.db2.gz MUZDGJHJNHQBQY-HNNXBMFYSA-N -1 3 406.504 3.486 50 0 HGAAHM Cc1csc(C(=O)[N-]c2nnc(SCC(=O)Nc3nnc(C)s3)s2)c1 ZINC000042379270 526318222 /nfs/dbraw/zinc/31/82/22/526318222.db2.gz FTPCWBYCIAHYLG-UHFFFAOYSA-N -1 3 412.547 3.051 50 0 HGAAHM COc1ccccc1C(=O)[N-]N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000714099 557067354 /nfs/dbraw/zinc/06/73/54/557067354.db2.gz VZRKDBHUROBSAH-BBITVKMKSA-N -1 3 424.456 3.232 50 0 HGAAHM COC(=O)[C@]([N-]c1ncc(C)s1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000002050295 557300670 /nfs/dbraw/zinc/30/06/70/557300670.db2.gz ZGPGVUGARCFZOG-CQSZACIVSA-N -1 3 407.801 3.378 50 0 HGAAHM CCOC(=O)c1c([N-]C(=O)C(=O)NCc2ccccc2)sc2c1CC(C)(C)OC2 ZINC000002886101 557422034 /nfs/dbraw/zinc/42/20/34/557422034.db2.gz BNXAJGYQRIABBS-UHFFFAOYSA-N -1 3 416.499 3.031 50 0 HGAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(F)c1 ZINC000034739313 557451163 /nfs/dbraw/zinc/45/11/63/557451163.db2.gz HZENMXNYUKHOBR-SJORKVTESA-N -1 3 418.412 3.251 50 0 HGAAHM Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)n1 ZINC000010555898 557530452 /nfs/dbraw/zinc/53/04/52/557530452.db2.gz ONFNOVHTGHXICD-UHFFFAOYSA-N -1 3 406.316 3.451 50 0 HGAAHM Cc1ccc(-c2nnc(SCC(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2C)cc1 ZINC000008746754 557805254 /nfs/dbraw/zinc/80/52/54/557805254.db2.gz DMWIPUJSLRPTCV-UHFFFAOYSA-N -1 3 416.528 3.137 50 0 HGAAHM CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854083 557840820 /nfs/dbraw/zinc/84/08/20/557840820.db2.gz KDBGTGKCXKCSHI-MRXNPFEDSA-N -1 3 418.494 3.126 50 0 HGAAHM COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cccc([O-])c4)c(=O)[nH]c3C2)cc1 ZINC000013363492 558530490 /nfs/dbraw/zinc/53/04/90/558530490.db2.gz WCCZJEJPNCODQX-AWEZNQCLSA-N -1 3 404.422 3.254 50 0 HGAAHM COc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1 ZINC000013944265 558605736 /nfs/dbraw/zinc/60/57/36/558605736.db2.gz OJZGPYMEJUWMAI-LLVKDONJSA-N -1 3 400.485 3.381 50 0 HGAAHM Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000024987044 558625325 /nfs/dbraw/zinc/62/53/25/558625325.db2.gz FVEWWNUUWOMDLK-GOSISDBHSA-N -1 3 413.474 3.057 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nccn2-c2cccc(F)c2)cc1 ZINC000026107163 558655258 /nfs/dbraw/zinc/65/52/58/558655258.db2.gz WMRYSQIAVNRUKC-UHFFFAOYSA-N -1 3 405.476 3.358 50 0 HGAAHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)n(C)c(=O)n2C ZINC000064591832 558964628 /nfs/dbraw/zinc/96/46/28/558964628.db2.gz VJVPBJIGSRMDEJ-UHFFFAOYSA-N -1 3 400.287 3.293 50 0 HGAAHM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023156952 559022055 /nfs/dbraw/zinc/02/20/55/559022055.db2.gz NZUGJLXMEVJLHS-OAHLLOKOSA-N -1 3 420.922 3.387 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccccc3Br)n2)cc1 ZINC000033276266 559036111 /nfs/dbraw/zinc/03/61/11/559036111.db2.gz ROHIHCSNCWLEIZ-UHFFFAOYSA-N -1 3 408.277 3.461 50 0 HGAAHM C[C@@H](c1ccon1)N(C)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091650710 559072576 /nfs/dbraw/zinc/07/25/76/559072576.db2.gz ZVUVTDCYYRJXRX-JTQLQIEISA-N -1 3 407.257 3.489 50 0 HGAAHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000004874023 559194925 /nfs/dbraw/zinc/19/49/25/559194925.db2.gz RGCMACRYWACECS-GOSISDBHSA-N -1 3 416.524 3.285 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)NC1CCCCCC1 ZINC000004880353 559196320 /nfs/dbraw/zinc/19/63/20/559196320.db2.gz URYFAECMOUROOI-UHFFFAOYSA-N -1 3 409.371 3.018 50 0 HGAAHM O=C(NCc1ccc(F)cc1)C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000004908961 559201117 /nfs/dbraw/zinc/20/11/17/559201117.db2.gz HISOZTLIXLLMLL-UHFFFAOYSA-N -1 3 410.536 3.288 50 0 HGAAHM Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011720067 559255172 /nfs/dbraw/zinc/25/51/72/559255172.db2.gz PWOJIMISVLUGQM-INIZCTEOSA-N -1 3 421.588 3.135 50 0 HGAAHM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)c([O-])c(OC)c2)NC(=O)N1 ZINC000000647116 560178567 /nfs/dbraw/zinc/17/85/67/560178567.db2.gz ACXYAIZBAYFXGU-AWEZNQCLSA-N -1 3 413.268 3.135 50 0 biogenic,in-vitro HGAAHM COc1ccccc1NC(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccc(C)cc1 ZINC000012462140 560212200 /nfs/dbraw/zinc/21/22/00/560212200.db2.gz ILFXTFOFBZONOR-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 biogenic,in-vitro HGAAHM C[C@H](OC(=O)[C@H]1SCCc2ccccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000078951634 560541010 /nfs/dbraw/zinc/54/10/10/560541010.db2.gz VKMLINHDBJABKC-DJJJIMSYSA-N -1 3 419.524 3.203 50 0 HGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc21 ZINC000017286981 560705813 /nfs/dbraw/zinc/70/58/13/560705813.db2.gz AZRMOICVHHBMJL-UHFFFAOYSA-N -1 3 408.545 3.288 50 0 HGAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1cccc(Cl)c1 ZINC000100848862 560759975 /nfs/dbraw/zinc/75/99/75/560759975.db2.gz SOENXTDVYFRIHY-HIFRSBDPSA-N -1 3 405.635 3.395 50 0 HGAAHM COc1ccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c(OC)c1 ZINC000101249477 560789576 /nfs/dbraw/zinc/78/95/76/560789576.db2.gz VKUQRBISRFOJKN-WBVHZDCISA-N -1 3 421.236 3.303 50 0 HGAAHM COC(=O)c1c(C)c(C)sc1-n1c([O-])c2onc(-c3ccccc3Cl)c2c1O ZINC000103525368 560842920 /nfs/dbraw/zinc/84/29/20/560842920.db2.gz GMQQVSUQIRXXOD-ZFWWWQNUSA-N -1 3 418.858 3.097 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)c(C)c1 ZINC000051316676 560856512 /nfs/dbraw/zinc/85/65/12/560856512.db2.gz YBEXAAONPBDLNG-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)c(C)c1 ZINC000051316676 560856513 /nfs/dbraw/zinc/85/65/13/560856513.db2.gz YBEXAAONPBDLNG-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM CCCOc1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1OCC ZINC000047169058 560883282 /nfs/dbraw/zinc/88/32/82/560883282.db2.gz LEMOIKCGNSGBEC-JOCHJYFZSA-N -1 3 411.458 3.181 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(CC)cc1)CC(=O)N2 ZINC000046074239 568426817 /nfs/dbraw/zinc/42/68/17/568426817.db2.gz OWBMQNWEXNSNAQ-CQSZACIVSA-N -1 3 400.504 3.289 50 0 HGAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)c1 ZINC000046074775 568426927 /nfs/dbraw/zinc/42/69/27/568426927.db2.gz TWJJNQIGAJWRBB-MRXNPFEDSA-N -1 3 420.494 3.435 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075347 568426999 /nfs/dbraw/zinc/42/69/99/568426999.db2.gz GBRCLRSNEASLIM-HNNXBMFYSA-N -1 3 424.457 3.266 50 0 HGAAHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000095449601 568613823 /nfs/dbraw/zinc/61/38/23/568613823.db2.gz QDRKFZFYSVUOEP-OAHLLOKOSA-N -1 3 404.496 3.044 50 0 HGAAHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccccc3Cn3cncn3)cc2[nH]1 ZINC000095466420 568624414 /nfs/dbraw/zinc/62/44/14/568624414.db2.gz VPCXDOWPMKWSFQ-UHFFFAOYSA-N -1 3 410.503 3.301 50 0 HGAAHM COc1ccc2cc([C@H]3SCC(=O)Nc4c3c(=O)[n-]n4C(C)C)c(=O)[nH]c2c1 ZINC000095480366 568633171 /nfs/dbraw/zinc/63/31/71/568633171.db2.gz ZDBWRHQPCBTCIP-MRXNPFEDSA-N -1 3 400.460 3.032 50 0 HGAAHM CC(=O)n1c2ccccc2c([O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020579818 568635409 /nfs/dbraw/zinc/63/54/09/568635409.db2.gz MFHUNMZILYKAPN-FQEVSTJZSA-N -1 3 403.404 3.403 50 0 HGAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc21 ZINC000020902265 568650386 /nfs/dbraw/zinc/65/03/86/568650386.db2.gz RBTDBYAPSXKWBH-UHFFFAOYSA-N -1 3 416.377 3.131 50 0 HGAAHM O=C([N-]c1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1cccs1 ZINC000020984036 568654707 /nfs/dbraw/zinc/65/47/07/568654707.db2.gz HMJLAJXGZDYWKC-UHFFFAOYSA-N -1 3 407.527 3.214 50 0 HGAAHM COc1ccc(CCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000095989771 568677454 /nfs/dbraw/zinc/67/74/54/568677454.db2.gz ARGFTQYYYVHFNO-HSZRJFAPSA-N -1 3 414.477 3.003 50 0 HGAAHM O=c1cc(C2CCCC2)ncn1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000096119185 568698844 /nfs/dbraw/zinc/69/88/44/568698844.db2.gz WROICWGJDVXYCV-UHFFFAOYSA-N -1 3 416.330 3.186 50 0 HGAAHM CCOC(=O)c1c([N-]C(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CCC2 ZINC000002768402 568807563 /nfs/dbraw/zinc/80/75/63/568807563.db2.gz VCYHWHVCJXQRGY-UHFFFAOYSA-N -1 3 421.429 3.350 50 0 HGAAHM COc1cccc(Nc2nnc(SCC(=O)[N-]C(=O)c3cccs3)s2)c1 ZINC000012532753 568844596 /nfs/dbraw/zinc/84/45/96/568844596.db2.gz QAJMLCUFTYAHOW-UHFFFAOYSA-N -1 3 406.514 3.401 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1nc2ccccc2n1C(F)F ZINC000012560230 568857540 /nfs/dbraw/zinc/85/75/40/568857540.db2.gz RSJHOEBTNOCRQZ-SECBINFHSA-N -1 3 415.443 3.319 50 0 HGAAHM Cc1cc(=NC(=O)C2=CC(c3ccc(Cl)cc3)N=N2)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159238 568863169 /nfs/dbraw/zinc/86/31/69/568863169.db2.gz WADXVFHNDRWPKD-UAEXMCFFSA-N -1 3 419.894 3.272 50 0 HGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1N1CCCCCC1 ZINC000031097442 568913050 /nfs/dbraw/zinc/91/30/50/568913050.db2.gz BDMHWAZQERDYON-UHFFFAOYSA-N -1 3 406.486 3.099 50 0 HGAAHM CCOc1cc2c(cc1CNC(=O)c1c(C)[n-]sc1=NC(=O)OC)O[C@H](C)C2 ZINC000012739211 568925683 /nfs/dbraw/zinc/92/56/83/568925683.db2.gz YLDANPINQFBACY-SNVBAGLBSA-N -1 3 405.476 3.282 50 0 HGAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@](O)(c1ccccc1)C1CCOCC1 ZINC000575610790 569032401 /nfs/dbraw/zinc/03/24/01/569032401.db2.gz APDFNSCSWWUTMY-FQEVSTJZSA-N -1 3 409.935 3.074 50 0 HGAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006226312 569033583 /nfs/dbraw/zinc/03/35/83/569033583.db2.gz ZJKLTAKCAJZVHD-UHFFFAOYSA-N -1 3 417.560 3.420 50 0 HGAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H](c2csc3ccccc32)N(C)C)cn1C ZINC000575622169 569038991 /nfs/dbraw/zinc/03/89/91/569038991.db2.gz XCUODIUPLNCPDI-MRXNPFEDSA-N -1 3 406.577 3.339 50 0 HGAAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000135898960 569053663 /nfs/dbraw/zinc/05/36/63/569053663.db2.gz CAUKAGFZMJWBNQ-FDFHNCONSA-N -1 3 416.433 3.452 50 0 HGAAHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(OC)ccc3OC)cs2)cc1 ZINC000006559508 569065690 /nfs/dbraw/zinc/06/56/90/569065690.db2.gz GXZGKEJIKIKOHA-UHFFFAOYSA-N -1 3 420.512 3.314 50 0 HGAAHM COc1cc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)cc(OC)c1 ZINC000006624146 569075504 /nfs/dbraw/zinc/07/55/04/569075504.db2.gz FBZHLBKQISORMN-UHFFFAOYSA-N -1 3 401.415 3.171 50 0 biogenic HGAAHM CCN(c1cccc(C)c1)S(=O)(=O)c1nnc([N-]C(=O)c2cccs2)s1 ZINC000006818320 569138338 /nfs/dbraw/zinc/13/83/38/569138338.db2.gz RHIQRBACZYEQSQ-UHFFFAOYSA-N -1 3 408.530 3.376 50 0 HGAAHM CCCOc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000006981085 569195624 /nfs/dbraw/zinc/19/56/24/569195624.db2.gz DOBMDOFGSYKEPA-AWEZNQCLSA-N -1 3 405.472 3.275 50 0 HGAAHM COc1ccccc1Nc1nnc(SCC(=O)[N-]C(=O)c2cccs2)s1 ZINC000006984316 569195778 /nfs/dbraw/zinc/19/57/78/569195778.db2.gz FXPSFEGNUSMZEY-UHFFFAOYSA-N -1 3 406.514 3.401 50 0 HGAAHM COC(=O)C[C@H](c1ccco1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1[O-] ZINC000524731862 569212488 /nfs/dbraw/zinc/21/24/88/569212488.db2.gz MVEBLBOJZXTKFF-GOSISDBHSA-N -1 3 409.438 3.192 50 0 biogenic HGAAHM O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000007211216 569228886 /nfs/dbraw/zinc/22/88/86/569228886.db2.gz IAUUWBLHCLMGCD-UHFFFAOYSA-N -1 3 408.435 3.114 50 0 HGAAHM O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000007312731 569232703 /nfs/dbraw/zinc/23/27/03/569232703.db2.gz SKJGTSWZOHENNT-INIZCTEOSA-N -1 3 406.891 3.034 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(-c2ccccc2)nn1 ZINC000016960129 569269011 /nfs/dbraw/zinc/26/90/11/569269011.db2.gz OOUYTHMIZKCUHZ-UHFFFAOYSA-N -1 3 419.890 3.163 50 0 HGAAHM COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1oc2ccccc2c(=O)c1[O-] ZINC000253398828 569365591 /nfs/dbraw/zinc/36/55/91/569365591.db2.gz CILJOTJKNMEONB-CQSZACIVSA-N -1 3 414.410 3.219 50 0 biogenic HGAAHM CSCC[C@@H](NC(=O)c1c[n-]c2c(F)cccc2c1=O)c1nnc2ccccn21 ZINC000253496397 569381717 /nfs/dbraw/zinc/38/17/17/569381717.db2.gz PBPSMMDOWUXIFV-OAHLLOKOSA-N -1 3 411.462 3.346 50 0 HGAAHM COc1ccc(-c2cc(C(=O)Nc3c(=O)[n-]cnc3N(C)C)c3ccccc3n2)cc1 ZINC000079110669 569428038 /nfs/dbraw/zinc/42/80/38/569428038.db2.gz REMLVRAGDMIONE-UHFFFAOYSA-N -1 3 415.453 3.312 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1 ZINC000008661381 571099835 /nfs/dbraw/zinc/09/98/35/571099835.db2.gz LIJASCFNOKMJJO-UHFFFAOYSA-N -1 3 423.741 3.471 50 0 HGAAHM Nc1c([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccccn1 ZINC000008726389 571108568 /nfs/dbraw/zinc/10/85/68/571108568.db2.gz OPVLVOSIROTGKA-QGZVFWFLSA-N -1 3 405.405 3.317 50 0 HGAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1C ZINC000009043523 571215187 /nfs/dbraw/zinc/21/51/87/571215187.db2.gz OFPYRGDDWSJYRC-QGZVFWFLSA-N -1 3 405.454 3.448 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165641 571232452 /nfs/dbraw/zinc/23/24/52/571232452.db2.gz MOSAWPXLQJRDAD-UHFFFAOYSA-N -1 3 404.488 3.268 50 0 HGAAHM CCOc1ccccc1-n1nnnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000009174313 571234287 /nfs/dbraw/zinc/23/42/87/571234287.db2.gz XIQHKZYUNPKSCS-UHFFFAOYSA-N -1 3 420.454 3.336 50 0 HGAAHM Cc1ccccc1CN(C)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000009377783 571253174 /nfs/dbraw/zinc/25/31/74/571253174.db2.gz KRJOMOJOMTVGFK-UHFFFAOYSA-N -1 3 419.510 3.168 50 0 HGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009449024 571259879 /nfs/dbraw/zinc/25/98/79/571259879.db2.gz KFHVPOIDTLHADJ-KRWDZBQOSA-N -1 3 420.494 3.053 50 0 HGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)N[C@@H](C)C2CC2)c1OC ZINC000009515175 571264783 /nfs/dbraw/zinc/26/47/83/571264783.db2.gz FVEJBYQOWPIPDJ-LBPRGKRZSA-N -1 3 422.478 3.172 50 0 HGAAHM CC(C)[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)n1cnc2ccccc21 ZINC000032932579 519789487 /nfs/dbraw/zinc/78/94/87/519789487.db2.gz WINLFKURDXUYDA-SFHVURJKSA-N -1 3 404.467 3.383 50 0 HGAAHM CNC(=O)NC(=O)CCS[C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000032778729 524077407 /nfs/dbraw/zinc/07/74/07/524077407.db2.gz JNXMBRBRVXPXAZ-NSHDSACASA-N -1 3 416.528 3.292 50 0 HGAAHM COc1ccc(S(=O)(=O)N(C)C)cc1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000032833291 525000870 /nfs/dbraw/zinc/00/08/70/525000870.db2.gz APKAJAKAIHIJPS-UHFFFAOYSA-N -1 3 415.471 3.161 50 0 HGAAHM CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc([O-])ccc1Br ZINC000000683302 557057231 /nfs/dbraw/zinc/05/72/31/557057231.db2.gz YFDXPWJTESMHGF-KRWDZBQOSA-N -1 3 417.259 3.483 50 0 HGAAHM COc1ccccc1C(=O)[N-]N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000714101 557067310 /nfs/dbraw/zinc/06/73/10/557067310.db2.gz VZRKDBHUROBSAH-BWWMBTDCSA-N -1 3 424.456 3.232 50 0 HGAAHM Cn1nc(-c2ccc(S(=O)(=O)[N-]Cc3cccnc3)s2)cc1C(F)(F)F ZINC000001038101 557151705 /nfs/dbraw/zinc/15/17/05/557151705.db2.gz DCTQLDIVEXXUPY-UHFFFAOYSA-N -1 3 402.423 3.041 50 0 HGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)cc1 ZINC000002137080 557317543 /nfs/dbraw/zinc/31/75/43/557317543.db2.gz HHAZDKNKTAWJPA-UHFFFAOYSA-N -1 3 421.544 3.355 50 0 HGAAHM CCCCN1C(=O)[N-][C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O ZINC000003017249 557441912 /nfs/dbraw/zinc/44/19/12/557441912.db2.gz XEZXWOUMAASMFO-CQSZACIVSA-N -1 3 412.195 3.334 50 0 HGAAHM O=C([N-]C1=NCCS1)[C@@H](NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043493 557629097 /nfs/dbraw/zinc/62/90/97/557629097.db2.gz FMRBFQUKWVQMDL-XCLLZBPDSA-N -1 3 403.592 3.487 50 0 HGAAHM C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)[N-]C1=NCCS1 ZINC000009096497 557823848 /nfs/dbraw/zinc/82/38/48/557823848.db2.gz VEQBFFICTHGIOX-ZDUSSCGKSA-N -1 3 410.528 3.029 50 0 HGAAHM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCC(O)CC2)cc1 ZINC000022855217 557842546 /nfs/dbraw/zinc/84/25/46/557842546.db2.gz IHSLNNHCEHAJLU-KRWDZBQOSA-N -1 3 402.520 3.004 50 0 HGAAHM COc1ccc(NC(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)c(C)c1 ZINC000012577085 558431315 /nfs/dbraw/zinc/43/13/15/558431315.db2.gz NVTDTGNWLMPYAK-HNNXBMFYSA-N -1 3 423.560 3.288 50 0 HGAAHM O=C(c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000021905487 558455120 /nfs/dbraw/zinc/45/51/20/558455120.db2.gz GEYAXWYFEXRZDO-UKRRQHHQSA-N -1 3 404.454 3.180 50 0 HGAAHM C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012797118 558469809 /nfs/dbraw/zinc/46/98/09/558469809.db2.gz YEFPHUXFRPJYPS-ZDUSSCGKSA-N -1 3 403.429 3.348 50 0 HGAAHM CCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000022377992 558484565 /nfs/dbraw/zinc/48/45/65/558484565.db2.gz VOQVAPNBNJODDK-UHFFFAOYSA-N -1 3 402.929 3.083 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022469074 558491319 /nfs/dbraw/zinc/49/13/19/558491319.db2.gz KKUJEQNZWKPCRN-AWEZNQCLSA-N -1 3 418.443 3.011 50 0 HGAAHM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1OCC ZINC000013672292 558562952 /nfs/dbraw/zinc/56/29/52/558562952.db2.gz CAJXCEAXUYLCEP-CQSZACIVSA-N -1 3 406.504 3.347 50 0 HGAAHM O=C(NCc1cn2ccccc2n1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000023754766 558574054 /nfs/dbraw/zinc/57/40/54/558574054.db2.gz LVRAXUCEKPFFPT-UHFFFAOYSA-N -1 3 424.457 3.204 50 0 HGAAHM COc1ccc([C@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)cc1OC ZINC000004459143 558590343 /nfs/dbraw/zinc/59/03/43/558590343.db2.gz PGUDQFZDQCLXMT-SFHVURJKSA-N -1 3 401.422 3.471 50 0 HGAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000024193285 558591519 /nfs/dbraw/zinc/59/15/19/558591519.db2.gz DTLHIYGOCZNWJN-SFHVURJKSA-N -1 3 415.342 3.345 50 0 HGAAHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014141933 558625278 /nfs/dbraw/zinc/62/52/78/558625278.db2.gz QWRIHRGBBFFGMO-UHFFFAOYSA-N -1 3 424.508 3.414 50 0 HGAAHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014141933 558625282 /nfs/dbraw/zinc/62/52/82/558625282.db2.gz QWRIHRGBBFFGMO-UHFFFAOYSA-N -1 3 424.508 3.414 50 0 HGAAHM Cc1cc2ccccc2n1CC(=O)O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000025191233 558634383 /nfs/dbraw/zinc/63/43/83/558634383.db2.gz WOOCGKHJVAMRAX-OAHLLOKOSA-N -1 3 414.483 3.136 50 0 HGAAHM CC(=O)c1cccc(Nc2[n-]c(=NN3CCOCC3)nnc2-c2cccc(F)c2)c1 ZINC000027643489 558677515 /nfs/dbraw/zinc/67/75/15/558677515.db2.gz VQZJNDOLYTZFPK-UHFFFAOYSA-N -1 3 408.437 3.283 50 0 HGAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000028021127 558689875 /nfs/dbraw/zinc/68/98/75/558689875.db2.gz VVOFFSPYAAMNGE-VOTSOKGWSA-N -1 3 408.863 3.135 50 0 HGAAHM CCOC(=O)[C@@]([N-]c1cc(C)on1)(NC(=O)c1ccccc1OCC)C(F)(F)F ZINC000003103570 558750065 /nfs/dbraw/zinc/75/00/65/558750065.db2.gz RFZBUYLIQMWIHG-QGZVFWFLSA-N -1 3 415.368 3.045 50 0 HGAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCOC)CC3)cc2)cc1 ZINC000033274635 558764430 /nfs/dbraw/zinc/76/44/30/558764430.db2.gz GTNBIRMJWDEPNQ-UHFFFAOYSA-N -1 3 416.543 3.234 50 0 HGAAHM CCc1nc2sc([C@H](c3cccs3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000004584892 558780208 /nfs/dbraw/zinc/78/02/08/558780208.db2.gz UGQLNMFGGXGDQB-AWEZNQCLSA-N -1 3 406.533 3.049 50 0 HGAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)NCc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000034866244 558785935 /nfs/dbraw/zinc/78/59/35/558785935.db2.gz NNHRUDJXYMAGOO-LLVKDONJSA-N -1 3 415.471 3.049 50 0 HGAAHM CCn1c2cc(Br)c([N-]S(=O)(=O)c3ccccc3)cc2n(CC)c1=O ZINC000016474436 558793027 /nfs/dbraw/zinc/79/30/27/558793027.db2.gz UNPXPBLHMMWUTJ-UHFFFAOYSA-N -1 3 424.320 3.406 50 0 HGAAHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3snnc3-c3ccccc3)sc2c1 ZINC000036358576 558799440 /nfs/dbraw/zinc/79/94/40/558799440.db2.gz MFMNWJSEFFXSGG-UHFFFAOYSA-N -1 3 416.509 3.471 50 0 HGAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccc(C)cc1 ZINC000017043282 558812594 /nfs/dbraw/zinc/81/25/94/558812594.db2.gz HXAXOIBEXFQAJM-QGZVFWFLSA-N -1 3 405.454 3.448 50 0 HGAAHM Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000058312628 558919081 /nfs/dbraw/zinc/91/90/81/558919081.db2.gz UZMDIUXVGJMIET-UHFFFAOYSA-N -1 3 413.524 3.484 50 0 HGAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2c(Br)c3ccccc3n2C)on1 ZINC000046410694 558932784 /nfs/dbraw/zinc/93/27/84/558932784.db2.gz LDJKGHNMIUQLFJ-SNVBAGLBSA-N -1 3 406.236 3.421 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1OC ZINC000060108270 558941267 /nfs/dbraw/zinc/94/12/67/558941267.db2.gz JDNHFUCWIIGYRM-HNNXBMFYSA-N -1 3 405.476 3.102 50 0 HGAAHM O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000067713025 558991943 /nfs/dbraw/zinc/99/19/43/558991943.db2.gz JVKWYCWQUHMWJE-OAHLLOKOSA-N -1 3 405.483 3.166 50 0 HGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccc4cc[nH]c4c2)C3)cc1 ZINC000097124935 558995919 /nfs/dbraw/zinc/99/59/19/558995919.db2.gz ZSRIQDLKGOYDFH-UHFFFAOYSA-N -1 3 400.438 3.125 50 0 HGAAHM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023156950 559022068 /nfs/dbraw/zinc/02/20/68/559022068.db2.gz NZUGJLXMEVJLHS-HNNXBMFYSA-N -1 3 420.922 3.387 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3cncc(Br)c3)n2)cc1 ZINC000033276370 559036197 /nfs/dbraw/zinc/03/61/97/559036197.db2.gz LQDYYIJILKEPHI-UHFFFAOYSA-N -1 3 409.265 3.323 50 0 HGAAHM C[C@H](c1ccon1)N(C)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091650712 559072723 /nfs/dbraw/zinc/07/27/23/559072723.db2.gz ZVUVTDCYYRJXRX-SNVBAGLBSA-N -1 3 407.257 3.489 50 0 HGAAHM CC(C)c1ccccc1OCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449978 559076608 /nfs/dbraw/zinc/07/66/08/559076608.db2.gz ZAPQRMVBNNZTTG-UHFFFAOYSA-N -1 3 422.572 3.220 50 0 HGAAHM O=C(c1ccc(C(F)(F)F)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450526 559076654 /nfs/dbraw/zinc/07/66/54/559076654.db2.gz RHZWQQAHVHVOIX-UHFFFAOYSA-N -1 3 418.462 3.350 50 0 HGAAHM O=C([O-])CC[C@@H]1CN(c2ccnc3cc(Cl)ccc32)CC[C@@H]1N1CCOCC1 ZINC000095381046 559080555 /nfs/dbraw/zinc/08/05/55/559080555.db2.gz QEOMOJLCHAEBSX-BEFAXECRSA-N -1 3 403.910 3.280 50 0 HGAAHM CCOc1ccc(-n2c(O)c3n(-c4ccc(Cl)cc4)[n-]c(C(C)=O)c-3c2=O)cc1 ZINC000100982829 559142434 /nfs/dbraw/zinc/14/24/34/559142434.db2.gz XPFUFHULHQBIPD-HKUYNNGSSA-N -1 3 411.845 3.062 50 0 HGAAHM CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([O-])cc2O)sc(C)c1CC ZINC000005104106 559246762 /nfs/dbraw/zinc/24/67/62/559246762.db2.gz DWHVNGQAQKGCLR-UHFFFAOYSA-N -1 3 407.444 3.002 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1NC(C)=O ZINC000005109723 559246914 /nfs/dbraw/zinc/24/69/14/559246914.db2.gz XEEPTUMXSVNSBM-UHFFFAOYSA-N -1 3 404.275 3.343 50 0 HGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCO)C3=O)cc1Cl ZINC000005343748 560566547 /nfs/dbraw/zinc/56/65/47/560566547.db2.gz FSORTSWYVBZPRE-LJQANCHMSA-N -1 3 401.825 3.421 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000017327129 560709170 /nfs/dbraw/zinc/70/91/70/560709170.db2.gz SOIMIRHOXRFLET-CALCHBBNSA-N -1 3 402.516 3.354 50 0 HGAAHM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(Br)c1 ZINC000018212386 560784692 /nfs/dbraw/zinc/78/46/92/560784692.db2.gz JFBRZAOPWSNAJU-HOCLYGCPSA-N -1 3 403.207 3.189 50 0 HGAAHM CCc1ccc(NCc2cc(=O)n3nc(NCc4ccc(OC)cc4)[n-]c3n2)cc1 ZINC000101796352 560801686 /nfs/dbraw/zinc/80/16/86/560801686.db2.gz APUXVONVUSOTKM-UHFFFAOYSA-N -1 3 404.474 3.213 50 0 HGAAHM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)C1 ZINC000102896628 560834862 /nfs/dbraw/zinc/83/48/62/560834862.db2.gz QUXMOPZEVORLNA-NVXWUHKLSA-N -1 3 414.531 3.423 50 0 HGAAHM CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)c3ccccc31)CSCC2 ZINC000103824811 560844481 /nfs/dbraw/zinc/84/44/81/560844481.db2.gz OMLUSLYGDIGVTN-ZROIWOOFSA-N -1 3 414.508 3.437 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 ZINC000046074198 568426830 /nfs/dbraw/zinc/42/68/30/568426830.db2.gz JQVXYHGJOKZOJW-LBPRGKRZSA-N -1 3 406.895 3.380 50 0 HGAAHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074535 568427011 /nfs/dbraw/zinc/42/70/11/568427011.db2.gz CNLXUUBXROEESO-INIZCTEOSA-N -1 3 420.494 3.435 50 0 HGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCN(C4CC4)C3)c2)c1 ZINC000048274830 568435473 /nfs/dbraw/zinc/43/54/73/568435473.db2.gz CWTQTXBSHUKIMA-IBGZPJMESA-N -1 3 413.543 3.071 50 0 HGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)ccc2Br)ccc1F ZINC000024929451 568514452 /nfs/dbraw/zinc/51/44/52/568514452.db2.gz DSIRQZQGTFAPLY-UHFFFAOYSA-N -1 3 405.220 3.351 50 0 HGAAHM COc1ccccc1NC(=O)C(=O)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000020059989 568587010 /nfs/dbraw/zinc/58/70/10/568587010.db2.gz INDVDENVCSNEFZ-GOSISDBHSA-N -1 3 413.396 3.053 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3cccc(C)c3)cc2)S1 ZINC000020895389 568648893 /nfs/dbraw/zinc/64/88/93/568648893.db2.gz HIONRRGSNZEMJI-HXUWFJFHSA-N -1 3 413.499 3.454 50 0 HGAAHM COc1ccc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H]([N-]S(=O)(=O)c2cccs2)C3)c(C)c1 ZINC000096095770 568688744 /nfs/dbraw/zinc/68/87/44/568688744.db2.gz LKWFMHLBDNAIDP-XOKHGSTOSA-N -1 3 421.544 3.038 50 0 HGAAHM CSc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000096103224 568691696 /nfs/dbraw/zinc/69/16/96/568691696.db2.gz LPHMSENBTQYQHX-LLVKDONJSA-N -1 3 408.364 3.244 50 0 HGAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc1O ZINC000096118320 568697877 /nfs/dbraw/zinc/69/78/77/568697877.db2.gz AQQQLILPLRSATO-INIZCTEOSA-N -1 3 407.517 3.146 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000238901133 568727420 /nfs/dbraw/zinc/72/74/20/568727420.db2.gz LECMBOBJABEQBY-GJYPPUQNSA-N -1 3 408.376 3.108 50 0 HGAAHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000019080203 568752623 /nfs/dbraw/zinc/75/26/23/568752623.db2.gz SXKHPOKHHZYOQV-HNNXBMFYSA-N -1 3 405.501 3.053 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)NCc1ccco1 ZINC000002717860 568802519 /nfs/dbraw/zinc/80/25/19/568802519.db2.gz WWGUTVAXHMNQAE-UHFFFAOYSA-N -1 3 415.862 3.176 50 0 HGAAHM CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000012507485 568839681 /nfs/dbraw/zinc/83/96/81/568839681.db2.gz BLKWXYUTFCPUQG-UHFFFAOYSA-N -1 3 407.455 3.035 50 0 HGAAHM CCOC(=O)c1[n-]c(COC(=O)[C@]2(C)CC2(Cl)Cl)c(C(=O)OCC)c1C ZINC000003247306 568867263 /nfs/dbraw/zinc/86/72/63/568867263.db2.gz IDNWBIGHNIQADG-INIZCTEOSA-N -1 3 406.262 3.304 50 0 HGAAHM O=C(NC[C@H]1CCCO1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000003417356 568899241 /nfs/dbraw/zinc/89/92/41/568899241.db2.gz CWDYRFODLYVLRF-CQSZACIVSA-N -1 3 412.870 3.189 50 0 HGAAHM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000012653385 568906622 /nfs/dbraw/zinc/90/66/22/568906622.db2.gz IYGIFJVRPPAQNN-UHFFFAOYSA-N -1 3 420.434 3.046 50 0 HGAAHM Cc1cccc(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2cccc(C)c2)c1 ZINC000004061368 568937084 /nfs/dbraw/zinc/93/70/84/568937084.db2.gz PBJBKFBJAVKTJL-UHFFFAOYSA-N -1 3 419.510 3.144 50 0 HGAAHM Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccccc2C)c1 ZINC000004061367 568937197 /nfs/dbraw/zinc/93/71/97/568937197.db2.gz VNQKQLPPSOKQRF-UHFFFAOYSA-N -1 3 419.510 3.144 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1 ZINC000015671319 568961990 /nfs/dbraw/zinc/96/19/90/568961990.db2.gz CEDPPICVUIXAGC-UHFFFAOYSA-N -1 3 413.503 3.404 50 0 HGAAHM Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)c1 ZINC000015732539 568982551 /nfs/dbraw/zinc/98/25/51/568982551.db2.gz BBUMOMSHLLKCOG-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000008315919 568990048 /nfs/dbraw/zinc/99/00/48/568990048.db2.gz USPYPTWYBDKXEG-UHFFFAOYSA-N -1 3 411.433 3.304 50 0 HGAAHM O=C(CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000085703887 569007292 /nfs/dbraw/zinc/00/72/92/569007292.db2.gz GLEOPLOSSPOPIQ-UHFFFAOYSA-N -1 3 417.494 3.180 50 0 HGAAHM CCOC(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000012896417 569020284 /nfs/dbraw/zinc/02/02/84/569020284.db2.gz AJVVRPPGCDHRRA-UHFFFAOYSA-N -1 3 414.833 3.258 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)NC[C@@H]3CCCO3)cc2)cc1 ZINC000006502366 569061683 /nfs/dbraw/zinc/06/16/83/569061683.db2.gz PHWBGJDASHCXBY-KRWDZBQOSA-N -1 3 405.545 3.261 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCCC1=CCCCC1 ZINC000006653678 569082621 /nfs/dbraw/zinc/08/26/21/569082621.db2.gz QUBYSLHLKJKQTQ-UHFFFAOYSA-N -1 3 409.515 3.208 50 0 HGAAHM Cc1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1C ZINC000064991770 569149194 /nfs/dbraw/zinc/14/91/94/569149194.db2.gz MQHKGYUKCZDPOI-UHFFFAOYSA-N -1 3 420.491 3.025 50 0 HGAAHM CN(C)S(=O)(=O)c1ccc2nc([N-]C(=O)c3nc4ccccc4s3)sc2c1 ZINC000016913916 569267180 /nfs/dbraw/zinc/26/71/80/569267180.db2.gz HEPKQOYDZUTJDA-UHFFFAOYSA-N -1 3 418.525 3.409 50 0 HGAAHM O=C([N-]c1nnc(SCc2nc3ccccc3[nH]c2=O)s1)c1cccs1 ZINC000013361135 569411883 /nfs/dbraw/zinc/41/18/83/569411883.db2.gz YTTRGPYNBNLTHX-UHFFFAOYSA-N -1 3 401.498 3.381 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000078958566 569422197 /nfs/dbraw/zinc/42/21/97/569422197.db2.gz DTMXOFKHBWLDBF-UHFFFAOYSA-N -1 3 422.409 3.032 50 0 HGAAHM CCN1CCC[C@H]1CNC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000008879713 571131147 /nfs/dbraw/zinc/13/11/47/571131147.db2.gz QPFQUDVKEBEAJM-KRWDZBQOSA-N -1 3 422.481 3.145 50 0 biogenic HGAAHM CCN1CCC[C@H]1CNC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008879713 571131148 /nfs/dbraw/zinc/13/11/48/571131148.db2.gz QPFQUDVKEBEAJM-KRWDZBQOSA-N -1 3 422.481 3.145 50 0 biogenic HGAAHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n[n-]1 ZINC000040088560 571158682 /nfs/dbraw/zinc/15/86/82/571158682.db2.gz NEMIFEDIMWOWBL-CYBMUJFWSA-N -1 3 411.487 3.033 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)NC(=O)[N-]C1=O ZINC000040110853 571168928 /nfs/dbraw/zinc/16/89/28/571168928.db2.gz IOLFFJQMUIUFFU-SFHVURJKSA-N -1 3 408.241 3.066 50 0 HGAAHM Cc1nc(-c2ccc(NC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(=O)[n-]1 ZINC000040116018 571173617 /nfs/dbraw/zinc/17/36/17/571173617.db2.gz TWDNJMRWNLJGMD-UHFFFAOYSA-N -1 3 420.513 3.016 50 0 HGAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1C ZINC000008961643 571190141 /nfs/dbraw/zinc/19/01/41/571190141.db2.gz LYUKEXJZXBYGEY-UHFFFAOYSA-N -1 3 418.515 3.357 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)c(C)c1 ZINC000008977116 571197814 /nfs/dbraw/zinc/19/78/14/571197814.db2.gz JVONGLIZPDRYIW-UHFFFAOYSA-N -1 3 402.516 3.345 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 ZINC000008977381 571198245 /nfs/dbraw/zinc/19/82/45/571198245.db2.gz OQCYPLFCRALIEK-UHFFFAOYSA-N -1 3 400.500 3.181 50 0 HGAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1F ZINC000008995353 571208575 /nfs/dbraw/zinc/20/85/75/571208575.db2.gz TVEOAEXRZXAUGM-OAHLLOKOSA-N -1 3 409.417 3.279 50 0 HGAAHM COc1ccccc1OCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000009095035 571220655 /nfs/dbraw/zinc/22/06/55/571220655.db2.gz DGRWGCIPVCONLE-UHFFFAOYSA-N -1 3 418.405 3.389 50 0 HGAAHM CC(C)(C)OC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000009195551 571235971 /nfs/dbraw/zinc/23/59/71/571235971.db2.gz INUPKMCEVKWOOL-UHFFFAOYSA-N -1 3 410.478 3.090 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]CCCc3ccccc3)s2)on1 ZINC000009688833 571280223 /nfs/dbraw/zinc/28/02/23/571280223.db2.gz MWPUPZQMTYJLSV-UHFFFAOYSA-N -1 3 420.512 3.491 50 0 HGAAHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3cc(OC)ccc3c2)ccc1Cl ZINC000009936901 571290953 /nfs/dbraw/zinc/29/09/53/571290953.db2.gz VDGGPUPLWIVJFL-UHFFFAOYSA-N -1 3 418.902 3.340 50 0 HGAAHM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000006784659 132316296 /nfs/dbraw/zinc/31/62/96/132316296.db2.gz AUIMBDDOJXVVHA-UHFFFAOYSA-N -1 3 418.544 3.102 50 0 HGAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ncccn2)CC1)c1ccco1 ZINC000007001651 132321863 /nfs/dbraw/zinc/32/18/63/132321863.db2.gz QQVHTYANEMIUIR-UHFFFAOYSA-N -1 3 417.425 3.031 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(Br)c2)cc1 ZINC000020611591 132470307 /nfs/dbraw/zinc/47/03/07/132470307.db2.gz JKXSCAWZWWMNQJ-UHFFFAOYSA-N -1 3 411.321 3.395 50 0 HGAAHM CCN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1 ZINC000032096721 521693613 /nfs/dbraw/zinc/69/36/13/521693613.db2.gz LZFOXNCSDTZOCU-NRFANRHFSA-N -1 3 406.486 3.183 50 0 HGAAHM COc1cc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1OCCC(C)C ZINC000032930829 522434395 /nfs/dbraw/zinc/43/43/95/522434395.db2.gz KHAZFQMPVPZDPQ-UHFFFAOYSA-N -1 3 420.531 3.422 50 0 HGAAHM CCn1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c2ccccc21 ZINC000032865730 523328763 /nfs/dbraw/zinc/32/87/63/523328763.db2.gz GJNUJHGXQGAVHC-UHFFFAOYSA-N -1 3 417.556 3.306 50 0 HGAAHM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]Cc3ccccc3Cl)c(Cl)cc21 ZINC000006893129 534802134 /nfs/dbraw/zinc/80/21/34/534802134.db2.gz ZPEZRWJRNTZKKY-UHFFFAOYSA-N -1 3 415.298 3.217 50 0 HGAAHM COc1ccc([O-])c(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000032760790 524728295 /nfs/dbraw/zinc/72/82/95/524728295.db2.gz MGNATCSINJAMKA-UHFFFAOYSA-N -1 3 409.269 3.306 50 0 HGAAHM Cc1ccc2nc(NC(=O)CC[N-]S(=O)(=O)c3ccc(F)c(F)c3)sc2c1 ZINC000032855813 526253103 /nfs/dbraw/zinc/25/31/03/526253103.db2.gz WTZIPOANENEIQL-UHFFFAOYSA-N -1 3 411.455 3.190 50 0 HGAAHM O=S(=O)([N-]Cc1nccn1C(F)F)c1ccc(Br)cc1Cl ZINC000072307373 527234341 /nfs/dbraw/zinc/23/43/41/527234341.db2.gz BGNNIKDKNGRBDF-UHFFFAOYSA-N -1 3 400.632 3.173 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 ZINC000002881981 557419630 /nfs/dbraw/zinc/41/96/30/557419630.db2.gz HFCFHLAUGZJMMT-UHFFFAOYSA-N -1 3 400.456 3.084 50 0 HGAAHM CCCCN1C(=O)[N-][C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O ZINC000003017247 557441884 /nfs/dbraw/zinc/44/18/84/557441884.db2.gz XEZXWOUMAASMFO-AWEZNQCLSA-N -1 3 412.195 3.334 50 0 HGAAHM Cc1cccc(C[N-]S(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000034738665 557448726 /nfs/dbraw/zinc/44/87/26/557448726.db2.gz UZUJVYCADVRNII-ZWKOTPCHSA-N -1 3 414.449 3.420 50 0 HGAAHM CN1OC[C@@H](S(=O)(=O)[N-]CCc2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739037 557450002 /nfs/dbraw/zinc/45/00/02/557450002.db2.gz OPYWWEIMZNOKPI-RTWAWAEBSA-N -1 3 402.560 3.433 50 0 HGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C(C)C)cc1 ZINC000034739295 557451174 /nfs/dbraw/zinc/45/11/74/557451174.db2.gz QSETTYVGZPLHPP-VXKWHMMOSA-N -1 3 418.559 3.267 50 0 HGAAHM CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000004599243 557570969 /nfs/dbraw/zinc/57/09/69/557570969.db2.gz IIYUIYLVLKSQDM-VAWYXSNFSA-N -1 3 402.472 3.162 50 0 HGAAHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(Br)s2)s1 ZINC000020989014 558425859 /nfs/dbraw/zinc/42/58/59/558425859.db2.gz JUFBUPVXPWNQJS-UHFFFAOYSA-N -1 3 408.324 3.270 50 0 HGAAHM COc1ccc(NC(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)c(C)c1 ZINC000012577095 558431421 /nfs/dbraw/zinc/43/14/21/558431421.db2.gz NVTDTGNWLMPYAK-OAHLLOKOSA-N -1 3 423.560 3.288 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000012794759 558467961 /nfs/dbraw/zinc/46/79/61/558467961.db2.gz CUUWJVQRTGSTJZ-UHFFFAOYSA-N -1 3 413.455 3.498 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCn3ccnc3)c2)cc1 ZINC000023238652 558544756 /nfs/dbraw/zinc/54/47/56/558544756.db2.gz SDZWBNIWWLFEEO-UHFFFAOYSA-N -1 3 412.515 3.121 50 0 HGAAHM CCc1cc2c(CN3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc2cc1[O-] ZINC000023303291 558548347 /nfs/dbraw/zinc/54/83/47/558548347.db2.gz NNGAAYWORPQSKB-UHFFFAOYSA-N -1 3 420.509 3.314 50 0 HGAAHM COc1cccc(-c2nnc(SCC(=O)c3ccc(OC)c([O-])c3OC)n2C)c1 ZINC000072191455 558563005 /nfs/dbraw/zinc/56/30/05/558563005.db2.gz JEYQANRBCRBDOY-UHFFFAOYSA-N -1 3 415.471 3.189 50 0 HGAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000026996659 558668097 /nfs/dbraw/zinc/66/80/97/558668097.db2.gz VFCHMEBXGSMECN-UHFFFAOYSA-N -1 3 416.481 3.209 50 0 HGAAHM Cc1cc2oc(=O)cc(COC(=O)c3cccc([N-]S(C)(=O)=O)c3)c2cc1Cl ZINC000028939486 558707699 /nfs/dbraw/zinc/70/76/99/558707699.db2.gz POLGJHYUHUDECF-UHFFFAOYSA-N -1 3 421.858 3.483 50 0 HGAAHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000029600498 558717698 /nfs/dbraw/zinc/71/76/98/558717698.db2.gz KBOPYXCRGNWROH-UHFFFAOYSA-N -1 3 424.766 3.344 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000030020200 558726119 /nfs/dbraw/zinc/72/61/19/558726119.db2.gz OQIWYFWAFMNOKT-ZFWWWQNUSA-N -1 3 407.536 3.034 50 0 HGAAHM CC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000015825239 558754766 /nfs/dbraw/zinc/75/47/66/558754766.db2.gz ALOIVZUEBCNBOP-UHFFFAOYSA-N -1 3 419.466 3.455 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1 ZINC000033274779 558764608 /nfs/dbraw/zinc/76/46/08/558764608.db2.gz MNDOKDFCJWNOGD-UHFFFAOYSA-N -1 3 402.516 3.300 50 0 HGAAHM C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000072308220 558769107 /nfs/dbraw/zinc/76/91/07/558769107.db2.gz UNSRGGVBAPTYJP-QGZVFWFLSA-N -1 3 403.482 3.330 50 0 HGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000016299337 558784656 /nfs/dbraw/zinc/78/46/56/558784656.db2.gz ATHOHNJKTPHFGS-INIZCTEOSA-N -1 3 415.902 3.087 50 0 HGAAHM COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000039532021 558822240 /nfs/dbraw/zinc/82/22/40/558822240.db2.gz GMVOZDVFWRWNLB-GOSISDBHSA-N -1 3 408.901 3.262 50 0 HGAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2ccc(N(C)C)cc2)c1 ZINC000058141024 558901484 /nfs/dbraw/zinc/90/14/84/558901484.db2.gz DNBDYMLBYGIGDA-CYBMUJFWSA-N -1 3 410.923 3.102 50 0 HGAAHM Cc1nccc(-c2cccc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)c2)n1 ZINC000058210734 558912148 /nfs/dbraw/zinc/91/21/48/558912148.db2.gz AMTBSOOKCUNMKC-UHFFFAOYSA-N -1 3 422.919 3.084 50 0 HGAAHM O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000072169441 558930490 /nfs/dbraw/zinc/93/04/90/558930490.db2.gz GKNBLOOGSJZDCL-KRWDZBQOSA-N -1 3 403.438 3.297 50 0 HGAAHM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2s1 ZINC000033298935 559048245 /nfs/dbraw/zinc/04/82/45/559048245.db2.gz FRGSZZAEHSGSCY-UHFFFAOYSA-N -1 3 414.505 3.171 50 0 HGAAHM COc1cccc(CN2C(=O)N(C(C)C)[C@H](N([O-])C(=O)NC(C)C)C2(C)C)c1OC ZINC000004811365 559069226 /nfs/dbraw/zinc/06/92/26/559069226.db2.gz SVMDYBIOWDRWOZ-GOSISDBHSA-N -1 3 422.526 3.264 50 0 HGAAHM O=C(NCCCc1ccccn1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091691520 559073141 /nfs/dbraw/zinc/07/31/41/559073141.db2.gz TZSNXKYLFGKXEM-UHFFFAOYSA-N -1 3 417.296 3.425 50 0 HGAAHM CCOC1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)CC1 ZINC000091737240 559073390 /nfs/dbraw/zinc/07/33/90/559073390.db2.gz LDSIVRKVYUBYJX-UHFFFAOYSA-N -1 3 410.301 3.309 50 0 HGAAHM C[C@@H](OC(=O)[C@@H]1SCCc2ccccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000078951657 560541008 /nfs/dbraw/zinc/54/10/08/560541008.db2.gz VKMLINHDBJABKC-BFUOFWGJSA-N -1 3 419.524 3.203 50 0 HGAAHM O=S(=O)([N-]c1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(Cl)c1 ZINC000005250709 560551314 /nfs/dbraw/zinc/55/13/14/560551314.db2.gz QIZQWCVSBBWDJU-UHFFFAOYSA-N -1 3 400.909 3.071 50 0 HGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCO)C3=O)cc1Cl ZINC000005343749 560566598 /nfs/dbraw/zinc/56/65/98/560566598.db2.gz FSORTSWYVBZPRE-IBGZPJMESA-N -1 3 401.825 3.421 50 0 HGAAHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c([O-])c1 ZINC000017410730 560716006 /nfs/dbraw/zinc/71/60/06/560716006.db2.gz HYQUEIXTMNGPGQ-UHFFFAOYSA-N -1 3 402.497 3.493 50 0 HGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000017654485 560721895 /nfs/dbraw/zinc/72/18/95/560721895.db2.gz JFXGWIOXRZJZDA-UHFFFAOYSA-N -1 3 411.863 3.230 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1Br ZINC000001206438 560727852 /nfs/dbraw/zinc/72/78/52/560727852.db2.gz KYOZSHHJCJVXPE-UHFFFAOYSA-N -1 3 402.266 3.276 50 0 HGAAHM CC(=O)n1c2ccccc2c([O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101421403 560794902 /nfs/dbraw/zinc/79/49/02/560794902.db2.gz MFHUNMZILYKAPN-HXUWFJFHSA-N -1 3 403.404 3.403 50 0 HGAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c1 ZINC000102707551 560820773 /nfs/dbraw/zinc/82/07/73/560820773.db2.gz BQIMYQISQAQYDN-FDFHNCONSA-N -1 3 416.433 3.452 50 0 HGAAHM CCN(C(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000051316660 560856453 /nfs/dbraw/zinc/85/64/53/560856453.db2.gz CZGGVPADZHOPNG-UHFFFAOYSA-N -1 3 405.483 3.254 50 0 HGAAHM CCN(C(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000051316660 560856454 /nfs/dbraw/zinc/85/64/54/560856454.db2.gz CZGGVPADZHOPNG-UHFFFAOYSA-N -1 3 405.483 3.254 50 0 HGAAHM Cc1cccc(N(C)C(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)c1 ZINC000051316687 560856481 /nfs/dbraw/zinc/85/64/81/560856481.db2.gz NLSSNAFSBYLQOI-UHFFFAOYSA-N -1 3 405.483 3.172 50 0 HGAAHM Cc1cccc(N(C)C(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)c1 ZINC000051316687 560856483 /nfs/dbraw/zinc/85/64/83/560856483.db2.gz NLSSNAFSBYLQOI-UHFFFAOYSA-N -1 3 405.483 3.172 50 0 HGAAHM O=C(CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)Nc1ccccc1Cl ZINC000046031429 568424490 /nfs/dbraw/zinc/42/44/90/568424490.db2.gz SWDGLKXWOCPENS-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM Cc1cc(NC(=O)CN2CCc3[n-]c4c(F)ccc(F)c4c(=O)c3C2)ccc1F ZINC000049003252 568446302 /nfs/dbraw/zinc/44/63/02/568446302.db2.gz LEUAXZWMYUEFRW-UHFFFAOYSA-N -1 3 401.388 3.251 50 0 HGAAHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(OC)cc2)N1 ZINC000020036702 568586638 /nfs/dbraw/zinc/58/66/38/568586638.db2.gz BYGSEVRFBGIZEL-GOSISDBHSA-N -1 3 415.412 3.443 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OC(=O)c3ccc(F)cc3)c2)S1 ZINC000020896580 568649087 /nfs/dbraw/zinc/64/90/87/568649087.db2.gz PZDSSPIYYZXKGP-KRWDZBQOSA-N -1 3 401.419 3.046 50 0 HGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)ccc1O ZINC000096118363 568698251 /nfs/dbraw/zinc/69/82/51/568698251.db2.gz MSWVMJGIBFALMG-INIZCTEOSA-N -1 3 407.517 3.146 50 0 HGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccnc2)cc1 ZINC000229983433 568716298 /nfs/dbraw/zinc/71/62/98/568716298.db2.gz PWQSEFAZOVLDGP-BHDDXSALSA-N -1 3 415.449 3.450 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000238882049 568727203 /nfs/dbraw/zinc/72/72/03/568727203.db2.gz CAKLGVMOEACNNO-NJDAHSKKSA-N -1 3 401.422 3.141 50 0 HGAAHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000019080200 568752536 /nfs/dbraw/zinc/75/25/36/568752536.db2.gz SXKHPOKHHZYOQV-OAHLLOKOSA-N -1 3 405.501 3.053 50 0 HGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc3c(c2)OCO3)CCO1 ZINC000005862223 568826492 /nfs/dbraw/zinc/82/64/92/568826492.db2.gz JAQOCFQWSLJDLY-SJCJKPOMSA-N -1 3 417.487 3.222 50 0 HGAAHM O=C(COc1ccc(Br)cc1Br)Nc1ncccc1[O-] ZINC000012527508 568843619 /nfs/dbraw/zinc/84/36/19/568843619.db2.gz ATWQVKNOGJGWAZ-UHFFFAOYSA-N -1 3 402.042 3.330 50 0 HGAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccccc2Br)CC1 ZINC000012541909 568848770 /nfs/dbraw/zinc/84/87/70/568848770.db2.gz GFKMRUHFOJZOMT-UHFFFAOYSA-N -1 3 424.364 3.392 50 0 HGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000015279070 568869801 /nfs/dbraw/zinc/86/98/01/568869801.db2.gz AKIDRXQGWUIPMJ-UHFFFAOYSA-N -1 3 407.835 3.119 50 0 HGAAHM O=c1cc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[n-]1 ZINC000003340090 568883541 /nfs/dbraw/zinc/88/35/41/568883541.db2.gz UZSXEETUAZRFGB-UHFFFAOYSA-N -1 3 411.874 3.257 50 0 HGAAHM CCc1ccc(CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012734328 568923536 /nfs/dbraw/zinc/92/35/36/568923536.db2.gz OSYYOIZFXKTDSA-UHFFFAOYSA-N -1 3 409.530 3.264 50 0 HGAAHM COc1ccc2nc(C3CC3)cc(C(=O)NCCCNC(=O)c3cccc([O-])c3)c2c1 ZINC000083970160 568929465 /nfs/dbraw/zinc/92/94/65/568929465.db2.gz HRCQPHWDXFRDIB-UHFFFAOYSA-N -1 3 419.481 3.376 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000012755171 568942748 /nfs/dbraw/zinc/94/27/48/568942748.db2.gz LITPLVCDTIKKFZ-HUUCEWRRSA-N -1 3 406.479 3.184 50 0 HGAAHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000012778394 568956171 /nfs/dbraw/zinc/95/61/71/568956171.db2.gz AGWNGOZESROGHU-IBGZPJMESA-N -1 3 417.462 3.100 50 0 HGAAHM O=S(=O)([N-]Cc1nccnc1-c1ccco1)c1ccc(Br)s1 ZINC000575414247 569025098 /nfs/dbraw/zinc/02/50/98/569025098.db2.gz JMNOAWYXUKSRME-UHFFFAOYSA-N -1 3 400.279 3.039 50 0 HGAAHM CCn1ncc(-n2c(Cn3nc(C(F)(F)F)c(Cl)c3C)n[n-]c2=S)c1C ZINC000008339751 568993197 /nfs/dbraw/zinc/99/31/97/568993197.db2.gz LQCGSSYXBXFTGY-UHFFFAOYSA-N -1 3 405.837 3.306 50 0 HGAAHM CN(C)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000006145051 569014530 /nfs/dbraw/zinc/01/45/30/569014530.db2.gz WDGTWJVGFDXPEI-UHFFFAOYSA-N -1 3 409.316 3.045 50 0 HGAAHM Cc1ccc2nc(COc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc(=O)n2c1 ZINC000015865517 569016728 /nfs/dbraw/zinc/01/67/28/569016728.db2.gz XETFTNRRKWDYSZ-UHFFFAOYSA-N -1 3 421.478 3.383 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC000035453201 569037816 /nfs/dbraw/zinc/03/78/16/569037816.db2.gz RWQCTSVWUOAQTA-SFHVURJKSA-N -1 3 411.487 3.299 50 0 HGAAHM COc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000012999657 569049190 /nfs/dbraw/zinc/04/91/90/569049190.db2.gz ZXDHGWZHQYHHJC-UHFFFAOYSA-N -1 3 406.482 3.391 50 0 HGAAHM Cc1ccccc1-n1c(=O)c([C@@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c1=S ZINC000001850070 569056594 /nfs/dbraw/zinc/05/65/94/569056594.db2.gz URJSDWPFBDPTKH-IBGZPJMESA-N -1 3 404.495 3.252 50 0 biogenic HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1 ZINC000006610497 569074181 /nfs/dbraw/zinc/07/41/81/569074181.db2.gz WLDHQUKYXMRZFH-UHFFFAOYSA-N -1 3 403.485 3.007 50 0 HGAAHM Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)c1C ZINC000006818508 569138472 /nfs/dbraw/zinc/13/84/72/569138472.db2.gz QROOXVPEFCSXGP-UHFFFAOYSA-N -1 3 403.323 3.044 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000006915709 569181097 /nfs/dbraw/zinc/18/10/97/569181097.db2.gz OTLZEJXKNYQULA-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000007312730 569232668 /nfs/dbraw/zinc/23/26/68/569232668.db2.gz SKJGTSWZOHENNT-MRXNPFEDSA-N -1 3 406.891 3.034 50 0 HGAAHM C[C@H]1CCN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c2c([O-])cccc21 ZINC000170597408 569242078 /nfs/dbraw/zinc/24/20/78/569242078.db2.gz SZRNXKBFKCTALC-ZDUSSCGKSA-N -1 3 408.907 3.352 50 0 HGAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1oc2ccccc2c(=O)c1[O-] ZINC000253398825 569365509 /nfs/dbraw/zinc/36/55/09/569365509.db2.gz CILJOTJKNMEONB-AWEZNQCLSA-N -1 3 414.410 3.219 50 0 biogenic HGAAHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](CCSC)c1nnc3ccccn31)c2=O ZINC000253496598 569382009 /nfs/dbraw/zinc/38/20/09/569382009.db2.gz VQOSELJRTGQWKJ-MRXNPFEDSA-N -1 3 423.498 3.216 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCC(C)CC2)[n-]c3=O)cc1C ZINC000008670088 571100491 /nfs/dbraw/zinc/10/04/91/571100491.db2.gz HQSYSLOIHPZNLH-UHFFFAOYSA-N -1 3 411.531 3.076 50 0 HGAAHM Cc1ccc(CNC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000008735914 571109981 /nfs/dbraw/zinc/10/99/81/571109981.db2.gz YUFYFERDDDSDFR-UHFFFAOYSA-N -1 3 405.483 3.238 50 0 HGAAHM COc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)cc1OC ZINC000008823265 571121606 /nfs/dbraw/zinc/12/16/06/571121606.db2.gz JZIFNXOOGJBCIS-UHFFFAOYSA-N -1 3 420.472 3.131 50 0 HGAAHM Cc1ccc(-c2nc(C(=O)Nc3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)cs2)cc1 ZINC000040111128 571169243 /nfs/dbraw/zinc/16/92/43/571169243.db2.gz REAXGWCAOHZYCK-OAQYLSRUSA-N -1 3 406.467 3.425 50 0 HGAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040117762 571174810 /nfs/dbraw/zinc/17/48/10/571174810.db2.gz HDNRCYUJFHXQAR-HXUWFJFHSA-N -1 3 401.850 3.191 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1 ZINC000009165844 571232554 /nfs/dbraw/zinc/23/25/54/571232554.db2.gz DAPXOLQTAQKRPZ-UHFFFAOYSA-N -1 3 404.488 3.186 50 0 HGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1 ZINC000009377668 571253234 /nfs/dbraw/zinc/25/32/34/571253234.db2.gz GOJQNDYDOLDGPD-GFCCVEGCSA-N -1 3 409.446 3.367 50 0 HGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009748708 571284057 /nfs/dbraw/zinc/28/40/57/571284057.db2.gz UHXHWWWCMRIVKJ-QGZVFWFLSA-N -1 3 420.494 3.053 50 0 HGAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c(C)c1C ZINC000009828163 571286757 /nfs/dbraw/zinc/28/67/57/571286757.db2.gz VHDYPBBRPSKKPZ-UHFFFAOYSA-N -1 3 402.516 3.494 50 0 HGAAHM CCOC(=O)C[C@@H](c1ccc(-c2ccccc2F)o1)c1oc(CO)cc(=O)c1[O-] ZINC000071279408 571290341 /nfs/dbraw/zinc/29/03/41/571290341.db2.gz WIMCCKJYTUKDFA-AWEZNQCLSA-N -1 3 402.374 3.322 50 0 HGAAHM CC(C)CC[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450455 519663311 /nfs/dbraw/zinc/66/33/11/519663311.db2.gz WJRMUORAZFSVIE-UHFFFAOYSA-N -1 3 415.353 3.073 50 0 HGAAHM CCN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000032096286 521693728 /nfs/dbraw/zinc/69/37/28/521693728.db2.gz HIPPLIFOQXPMBC-NRFANRHFSA-N -1 3 406.486 3.183 50 0 HGAAHM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]C3CCCCCCC3)c(Cl)cc21 ZINC000006893133 534802414 /nfs/dbraw/zinc/80/24/14/534802414.db2.gz UJEQMLXDJGBDJV-UHFFFAOYSA-N -1 3 400.928 3.477 50 0 HGAAHM O=C1CCCCCN1CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000032885554 526970452 /nfs/dbraw/zinc/97/04/52/526970452.db2.gz PBSGOQJFRRFUGL-UHFFFAOYSA-N -1 3 423.760 3.174 50 0 HGAAHM Cc1nc2ccccc2nc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccccc32)CC1 ZINC000032069764 527173231 /nfs/dbraw/zinc/17/32/31/527173231.db2.gz CCUNUUCHUPOPLC-NRFANRHFSA-N -1 3 401.470 3.367 50 0 HGAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1N1CCOCC1 ZINC000001029372 536569983 /nfs/dbraw/zinc/56/99/83/536569983.db2.gz YJQQDUDASWPWOZ-UHFFFAOYSA-N -1 3 418.515 3.234 50 0 HGAAHM CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000000729382 557074416 /nfs/dbraw/zinc/07/44/16/557074416.db2.gz UFLPIEPPBSOXHK-DYVFJYSZSA-N -1 3 424.881 3.137 50 0 HGAAHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(I)cc2)N1 ZINC000000729178 557074424 /nfs/dbraw/zinc/07/44/24/557074424.db2.gz ZXIBASCLAFKKST-GFCCVEGCSA-N -1 3 412.149 3.154 50 0 HGAAHM COC(=O)[C@@]([N-]c1ncc(C)s1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000002050294 557300649 /nfs/dbraw/zinc/30/06/49/557300649.db2.gz ZGPGVUGARCFZOG-AWEZNQCLSA-N -1 3 407.801 3.378 50 0 HGAAHM CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000004758058 557595059 /nfs/dbraw/zinc/59/50/59/557595059.db2.gz VCRLQMGNUJDJGP-ZHACJKMWSA-N -1 3 416.499 3.470 50 0 HGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000002717921 557750834 /nfs/dbraw/zinc/75/08/34/557750834.db2.gz GENNRMVSHRPNMV-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 HGAAHM Cc1nc2cc([N-]S(C)(=O)=O)cc(C(=O)NCC(C)C)c2n1Cc1ccccc1 ZINC000011785103 558275960 /nfs/dbraw/zinc/27/59/60/558275960.db2.gz NQQOINCRPCVJDX-UHFFFAOYSA-N -1 3 414.531 3.150 50 0 HGAAHM C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)[N-]C1=NCCS1 ZINC000012380562 558393104 /nfs/dbraw/zinc/39/31/04/558393104.db2.gz YKEBISFSCKNYHM-CYBMUJFWSA-N -1 3 410.528 3.029 50 0 HGAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2Cl)C1=O)c1cccs1 ZINC000012408992 558399596 /nfs/dbraw/zinc/39/95/96/558399596.db2.gz VHHHGYPISUVWLU-OAHLLOKOSA-N -1 3 417.796 3.142 50 0 HGAAHM COc1cccc(Cc2nc3c(c(=O)[n-]2)CN(C(=O)Nc2ccccc2F)CC3)c1 ZINC000004382903 558484143 /nfs/dbraw/zinc/48/41/43/558484143.db2.gz VXSRYQCQXLEYQC-UHFFFAOYSA-N -1 3 408.433 3.099 50 0 HGAAHM Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1)C(=O)CC2 ZINC000013444037 558532836 /nfs/dbraw/zinc/53/28/36/558532836.db2.gz ADXGNEYLLLSOAR-UHFFFAOYSA-N -1 3 411.469 3.420 50 0 world HGAAHM Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1)C(=O)CC2 ZINC000013444037 558532840 /nfs/dbraw/zinc/53/28/40/558532840.db2.gz ADXGNEYLLLSOAR-UHFFFAOYSA-N -1 3 411.469 3.420 50 0 world HGAAHM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc2ccccc2[nH]1 ZINC000013734998 558588219 /nfs/dbraw/zinc/58/82/19/558588219.db2.gz GWASRIBDAMOUDL-UHFFFAOYSA-N -1 3 412.298 3.183 50 0 HGAAHM CC(C)Oc1ccc(Cc2c([O-])nc(NCCC[NH+]3CCCCC3)[n-]c2=O)cc1 ZINC000013765184 558591292 /nfs/dbraw/zinc/59/12/92/558591292.db2.gz WOHPVJNFGBRUTD-UHFFFAOYSA-N -1 3 400.523 3.141 50 0 HGAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1c(Cl)cccc1Cl ZINC000024210263 558592385 /nfs/dbraw/zinc/59/23/85/558592385.db2.gz MIPDNUYKKDEWCK-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM CCOC(=O)c1csc(N2N=C(c3ccccc3OC)C[C@]2([O-])C(F)(F)F)n1 ZINC000004478273 558601448 /nfs/dbraw/zinc/60/14/48/558601448.db2.gz NLVBNOBRXKSYNG-INIZCTEOSA-N -1 3 415.393 3.194 50 0 HGAAHM O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc([O-])c3ncccc23)CC1 ZINC000025390470 558639732 /nfs/dbraw/zinc/63/97/32/558639732.db2.gz ULBTUDRQBQAFHJ-UHFFFAOYSA-N -1 3 417.918 3.100 50 0 HGAAHM O=S(=O)([N-]C[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccs1 ZINC000004553832 558720923 /nfs/dbraw/zinc/72/09/23/558720923.db2.gz JFTSCLLNPVDJPR-OAHLLOKOSA-N -1 3 413.567 3.303 50 0 HGAAHM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000015869508 558760130 /nfs/dbraw/zinc/76/01/30/558760130.db2.gz SFEHOFCVVVTJCY-HNNXBMFYSA-N -1 3 402.516 3.442 50 0 HGAAHM CCc1ccccc1NC(=O)CSc1nnc2[n-]c(=O)c(Cc3ccccc3)nn21 ZINC000015882054 558760628 /nfs/dbraw/zinc/76/06/28/558760628.db2.gz UKRKOZIAEHGJAS-UHFFFAOYSA-N -1 3 420.498 3.109 50 0 HGAAHM CCn1c(SCC(=O)[N-]c2nc(=O)c3ccccc3s2)nc2ccccc2c1=O ZINC000016956898 558810286 /nfs/dbraw/zinc/81/02/86/558810286.db2.gz SNIGHTZGEGMIEI-UHFFFAOYSA-N -1 3 424.507 3.117 50 0 HGAAHM O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000017091659 558820189 /nfs/dbraw/zinc/82/01/89/558820189.db2.gz WRNCKWSGWHKDHV-LBPRGKRZSA-N -1 3 418.725 3.292 50 0 HGAAHM O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000019148835 558847105 /nfs/dbraw/zinc/84/71/05/558847105.db2.gz GABIVWRTHQRHRT-SFHVURJKSA-N -1 3 408.951 3.377 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000004660643 558873624 /nfs/dbraw/zinc/87/36/24/558873624.db2.gz IDAHBQCZNBKIDS-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000004660643 558873627 /nfs/dbraw/zinc/87/36/27/558873627.db2.gz IDAHBQCZNBKIDS-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000058180786 558910331 /nfs/dbraw/zinc/91/03/31/558910331.db2.gz DGOKPRTVBFACIS-UHFFFAOYSA-N -1 3 419.377 3.328 50 0 HGAAHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)n(C)c(=O)n2C ZINC000064591825 558964737 /nfs/dbraw/zinc/96/47/37/558964737.db2.gz KQWAIRCBHRWYTN-UHFFFAOYSA-N -1 3 400.287 3.293 50 0 HGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cn2nnc3ccccc3c2=O)cc1 ZINC000072404349 558976878 /nfs/dbraw/zinc/97/68/78/558976878.db2.gz NQMDSWJLFIXXRI-UHFFFAOYSA-N -1 3 406.829 3.451 50 0 HGAAHM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023157749 559022505 /nfs/dbraw/zinc/02/25/05/559022505.db2.gz BAVHPZSLOHTDQI-HNNXBMFYSA-N -1 3 420.922 3.387 50 0 HGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000023156855 559022736 /nfs/dbraw/zinc/02/27/36/559022736.db2.gz BHTDGXWXZUQEON-QGZVFWFLSA-N -1 3 414.531 3.478 50 0 HGAAHM CCOc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4ccccc4F)o3)CC2=O)cc1 ZINC000033291080 559045686 /nfs/dbraw/zinc/04/56/86/559045686.db2.gz PMZPNWHTXMPLJI-CYBMUJFWSA-N -1 3 410.405 3.380 50 0 HGAAHM Cc1[nH]c2ccc(C(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)cc2c1C ZINC000011449766 559076509 /nfs/dbraw/zinc/07/65/09/559076509.db2.gz NLAVYPJGBDFSOP-UHFFFAOYSA-N -1 3 417.556 3.429 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc3ccccc3n2)CCCC1 ZINC000072301596 559122265 /nfs/dbraw/zinc/12/22/65/559122265.db2.gz JTWRJVUSBREWTE-UHFFFAOYSA-N -1 3 414.487 3.069 50 0 HGAAHM O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000004874157 559194939 /nfs/dbraw/zinc/19/49/39/559194939.db2.gz MHIYQDQIZDLUSK-GOSISDBHSA-N -1 3 418.515 3.093 50 0 HGAAHM COc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000004880201 559196191 /nfs/dbraw/zinc/19/61/91/559196191.db2.gz KVXKZQQRBQAMDK-LJQANCHMSA-N -1 3 416.524 3.093 50 0 HGAAHM C[C@H](OC(=O)[C@@H]1SCCc2ccccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000078951648 560541020 /nfs/dbraw/zinc/54/10/20/560541020.db2.gz VKMLINHDBJABKC-ORAYPTAESA-N -1 3 419.524 3.203 50 0 HGAAHM CN(C)S(=O)(=O)n1cc(/C=C/c2noc(-c3ccccc3[O-])n2)c2ccccc21 ZINC000005274458 560561403 /nfs/dbraw/zinc/56/14/03/560561403.db2.gz JWKBJBCUAMQXHL-VAWYXSNFSA-N -1 3 410.455 3.222 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@@H](c2ccccc2OC)C1 ZINC000061983955 560564655 /nfs/dbraw/zinc/56/46/55/560564655.db2.gz XNZYHESERSNXLS-LJQANCHMSA-N -1 3 401.488 3.154 50 0 HGAAHM CCCCCCn1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S ZINC000017196096 560703532 /nfs/dbraw/zinc/70/35/32/560703532.db2.gz VVDLPTYJHPVLOF-GOSISDBHSA-N -1 3 419.547 3.444 50 0 HGAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000102709901 560820993 /nfs/dbraw/zinc/82/09/93/560820993.db2.gz CAUKAGFZMJWBNQ-YPAWHYETSA-N -1 3 416.433 3.452 50 0 HGAAHM CN(C(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 ZINC000051316700 560856430 /nfs/dbraw/zinc/85/64/30/560856430.db2.gz YOBQIFNIYAKHJW-UHFFFAOYSA-N -1 3 409.446 3.003 50 0 HGAAHM CN(C(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 ZINC000051316700 560856432 /nfs/dbraw/zinc/85/64/32/560856432.db2.gz YOBQIFNIYAKHJW-UHFFFAOYSA-N -1 3 409.446 3.003 50 0 HGAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000105049215 560860693 /nfs/dbraw/zinc/86/06/93/560860693.db2.gz AYDSLGJXOVHCSB-IRXDYDNUSA-N -1 3 418.412 3.251 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075240 568427058 /nfs/dbraw/zinc/42/70/58/568427058.db2.gz XSVYGTAGCMWZOI-AWEZNQCLSA-N -1 3 424.457 3.266 50 0 HGAAHM Cc1nc(C)c(-c2nnc([N-]C(=O)c3cccc(S(=O)(=O)C(C)C)c3)o2)s1 ZINC000049029355 568445710 /nfs/dbraw/zinc/44/57/10/568445710.db2.gz KDKIMWAWZPSLDX-UHFFFAOYSA-N -1 3 406.489 3.244 50 0 HGAAHM COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218267748 568477082 /nfs/dbraw/zinc/47/70/82/568477082.db2.gz WDTJSXQKSJZPOT-HNNXBMFYSA-N -1 3 421.877 3.385 50 0 HGAAHM COc1ccccc1N1CCN(Cc2cc(Br)c([O-])c(OC)c2)CC1 ZINC000055543234 568489044 /nfs/dbraw/zinc/48/90/44/568489044.db2.gz HCKTWIFGDMSQSO-UHFFFAOYSA-N -1 3 407.308 3.494 50 0 HGAAHM COc1ccc(CNC(=O)C(=C([O-])c2ccc(F)cc2)n2cc(C)ccc2=O)cc1 ZINC000000819545 568497205 /nfs/dbraw/zinc/49/72/05/568497205.db2.gz ZMKFAPFETQUEQF-OAQYLSRUSA-N -1 3 408.429 3.045 50 0 HGAAHM COc1ccc2[nH]c(=O)c([C@H]3SCC(=O)Nc4c3c(=O)[n-]n4C(C)C)cc2c1 ZINC000095479558 568632506 /nfs/dbraw/zinc/63/25/06/568632506.db2.gz IPGXZSYRNMHVSH-MRXNPFEDSA-N -1 3 400.460 3.032 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3cccc(C)c3)cc2)S1 ZINC000020895392 568648825 /nfs/dbraw/zinc/64/88/25/568648825.db2.gz HIONRRGSNZEMJI-FQEVSTJZSA-N -1 3 413.499 3.454 50 0 HGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1F ZINC000020895507 568648899 /nfs/dbraw/zinc/64/88/99/568648899.db2.gz MTPKCPCYJUSCAM-IBGZPJMESA-N -1 3 417.462 3.414 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1c(F)c(F)cc(F)c1F ZINC000021052250 568660899 /nfs/dbraw/zinc/66/08/99/568660899.db2.gz DEZLUJYEFCPGTN-CYBMUJFWSA-N -1 3 410.414 3.246 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1c(F)c(F)cc(F)c1F ZINC000021052258 568661093 /nfs/dbraw/zinc/66/10/93/568661093.db2.gz DEZLUJYEFCPGTN-ZDUSSCGKSA-N -1 3 410.414 3.246 50 0 HGAAHM CC(C)c1cccc(NC(=O)N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)c1 ZINC000095999232 568680409 /nfs/dbraw/zinc/68/04/09/568680409.db2.gz DXISCVQBZMHBLK-HNNXBMFYSA-N -1 3 405.524 3.316 50 0 HGAAHM CC(C)c1cccc(NC(=O)N2CCC[C@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)c1 ZINC000095999232 568680411 /nfs/dbraw/zinc/68/04/11/568680411.db2.gz DXISCVQBZMHBLK-HNNXBMFYSA-N -1 3 405.524 3.316 50 0 HGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)ccc1O ZINC000096232773 568708295 /nfs/dbraw/zinc/70/82/95/568708295.db2.gz UESWMFBPWASBHR-SJCJKPOMSA-N -1 3 419.503 3.208 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275923 568714849 /nfs/dbraw/zinc/71/48/49/568714849.db2.gz FAQSTPBHACAWIG-KRWDZBQOSA-N -1 3 401.444 3.141 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000238950838 568727542 /nfs/dbraw/zinc/72/75/42/568727542.db2.gz ZWEYECKGSIUVIR-NJDAHSKKSA-N -1 3 401.422 3.141 50 0 HGAAHM COC(=O)c1ccc2c(=O)[n-]c(C(Cl)=Cc3cn(-c4ccccc4)nn3)nc2c1 ZINC000096402190 568750283 /nfs/dbraw/zinc/75/02/83/568750283.db2.gz PZDONRXMUJISIH-MHWRWJLKSA-N -1 3 407.817 3.440 50 0 HGAAHM COc1cccc(OC)c1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000003315528 568879120 /nfs/dbraw/zinc/87/91/20/568879120.db2.gz QGHJWKJDNIJDQP-UHFFFAOYSA-N -1 3 400.456 3.238 50 0 HGAAHM O=C(NCCc1ccccc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000001430202 568940142 /nfs/dbraw/zinc/94/01/42/568940142.db2.gz UXGRDXSQXQPCBH-UHFFFAOYSA-N -1 3 413.326 3.407 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)cc(C)c1N(Cc1ccccc1)C2=O ZINC000012776320 568954770 /nfs/dbraw/zinc/95/47/70/568954770.db2.gz YEJUITQGBFGCCR-QFIPXVFZSA-N -1 3 422.510 3.005 50 0 HGAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)c(O)c1 ZINC000012858438 569011477 /nfs/dbraw/zinc/01/14/77/569011477.db2.gz ZPMREWJWBQDZMP-AWEZNQCLSA-N -1 3 424.906 3.064 50 0 HGAAHM CN(C)c1ccc2c3c1c(N(C)C)ccc3[C@@](O)(C(F)(F)F)O[C@@]2([O-])C(F)(F)F ZINC000016034494 569028044 /nfs/dbraw/zinc/02/80/44/569028044.db2.gz SXCCOVAVNCTXKR-IYBDPMFKSA-N -1 3 424.341 3.417 50 0 HGAAHM CN(C)c1ccc2c3c1c(N(C)C)ccc3[C@@]([O-])(C(F)(F)F)O[C@@]2(O)C(F)(F)F ZINC000016034494 569028045 /nfs/dbraw/zinc/02/80/45/569028045.db2.gz SXCCOVAVNCTXKR-IYBDPMFKSA-N -1 3 424.341 3.417 50 0 HGAAHM CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1)O[C@H](C)C2 ZINC000012939421 569028219 /nfs/dbraw/zinc/02/82/19/569028219.db2.gz NIJDQNXSEZLQSV-LLVKDONJSA-N -1 3 424.906 3.223 50 0 HGAAHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c(=O)[n-]1 ZINC000012946908 569029211 /nfs/dbraw/zinc/02/92/11/569029211.db2.gz AENNHUWKOSSWQQ-UHFFFAOYSA-N -1 3 404.442 3.284 50 0 HGAAHM O=S(=O)(c1ccc2oc([N-]c3cc(Cl)ccc3F)nc2c1)N1CCOCC1 ZINC000012951232 569029608 /nfs/dbraw/zinc/02/96/08/569029608.db2.gz GGWAWGSTDIZXDG-UHFFFAOYSA-N -1 3 411.842 3.385 50 0 HGAAHM CCOC(=O)c1[n-]c(COC(=O)CCC(=O)c2cccs2)c(C(=O)OCC)c1C ZINC000006206625 569033005 /nfs/dbraw/zinc/03/30/05/569033005.db2.gz VWGBWTNBHSBYAV-UHFFFAOYSA-N -1 3 421.471 3.444 50 0 HGAAHM CCOC(=O)[N-]C(=O)COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000006349943 569044716 /nfs/dbraw/zinc/04/47/16/569044716.db2.gz BWKBJJSGXVRAKG-UHFFFAOYSA-N -1 3 415.229 3.045 50 0 HGAAHM CCOC([O-])=NC(=O)COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000006349943 569044715 /nfs/dbraw/zinc/04/47/15/569044715.db2.gz BWKBJJSGXVRAKG-UHFFFAOYSA-N -1 3 415.229 3.045 50 0 HGAAHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000012990940 569047968 /nfs/dbraw/zinc/04/79/68/569047968.db2.gz DPDOZGSGUILXBK-JTQLQIEISA-N -1 3 414.842 3.035 50 0 HGAAHM COCc1cccc(OCC2(CN3CCN(C(=O)c4ccccc4[O-])CC3)CC2)c1 ZINC000089420357 569060151 /nfs/dbraw/zinc/06/01/51/569060151.db2.gz ICXRZGCKYSUHCE-UHFFFAOYSA-N -1 3 410.514 3.156 50 0 HGAAHM COC[C@@H](O)CN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[n-]1)C(C)C ZINC000036207098 569109635 /nfs/dbraw/zinc/10/96/35/569109635.db2.gz TWVCPAPIROLDAS-INIZCTEOSA-N -1 3 415.559 3.486 50 0 HGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920481 569121077 /nfs/dbraw/zinc/12/10/77/569121077.db2.gz SEEKHFVVAANHPN-UHFFFAOYSA-N -1 3 419.484 3.273 50 0 HGAAHM Cc1ccc(CNC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000006819362 569139255 /nfs/dbraw/zinc/13/92/55/569139255.db2.gz CLBTYYXZYSLHBM-UHFFFAOYSA-N -1 3 406.573 3.458 50 0 HGAAHM O=S(=O)([N-]Cc1cccnc1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098023 569176903 /nfs/dbraw/zinc/17/69/03/569176903.db2.gz XHDFHVQLPRIWML-UHFFFAOYSA-N -1 3 416.459 3.478 50 0 HGAAHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2ccsc2c(=O)[n-]1 ZINC000006907371 569178475 /nfs/dbraw/zinc/17/84/75/569178475.db2.gz NMYWEHKUPFJNDK-UHFFFAOYSA-N -1 3 410.421 3.253 50 0 HGAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000006915707 569181043 /nfs/dbraw/zinc/18/10/43/569181043.db2.gz ZSLLVQSFWKNUOS-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM CN(C)C(=O)[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000006930407 569183977 /nfs/dbraw/zinc/18/39/77/569183977.db2.gz WCFNGSPYJNETNS-QGZVFWFLSA-N -1 3 405.483 3.443 50 0 HGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2nccc4ccccc42)C3)cc1 ZINC000065260283 569209659 /nfs/dbraw/zinc/20/96/59/569209659.db2.gz YGQWZTOSIGDYRS-UHFFFAOYSA-N -1 3 412.449 3.192 50 0 HGAAHM COc1c[n-]c(C(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1=O ZINC000524734075 569214176 /nfs/dbraw/zinc/21/41/76/569214176.db2.gz UEJSJZFXAIJLGH-UHFFFAOYSA-N -1 3 402.454 3.308 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1 ZINC000007061437 569216898 /nfs/dbraw/zinc/21/68/98/569216898.db2.gz OLCPSRMXEZNFTO-LBPRGKRZSA-N -1 3 408.332 3.392 50 0 HGAAHM Cc1ccc(NC(=O)Cc2nnco2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000170600630 569243071 /nfs/dbraw/zinc/24/30/71/569243071.db2.gz AMZPAXLNNRTLHU-UHFFFAOYSA-N -1 3 406.851 3.013 50 0 HGAAHM CCOC(=O)c1[n-]c(COC(=O)c2cccnc2SC)c(C(=O)OCC)c1C ZINC000007652691 569299014 /nfs/dbraw/zinc/29/90/14/569299014.db2.gz BJQFKYMLUHASGN-UHFFFAOYSA-N -1 3 406.460 3.150 50 0 HGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCCCc3nc4ccccc4[nH]3)cc2O1 ZINC000253404598 569365782 /nfs/dbraw/zinc/36/57/82/569365782.db2.gz HWZNIRKVWLSFBR-UHFFFAOYSA-N -1 3 423.469 3.140 50 0 biogenic HGAAHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)o2)cc1 ZINC000002456954 569412346 /nfs/dbraw/zinc/41/23/46/569412346.db2.gz WEBURWZQJODUMI-UHFFFAOYSA-N -1 3 404.492 3.153 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@H](c2cccc(OC)c2)C1 ZINC000328598385 569416251 /nfs/dbraw/zinc/41/62/51/569416251.db2.gz MDPPTWBRUGXDSM-FQEVSTJZSA-N -1 3 401.488 3.154 50 0 HGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[n-]c(=O)c2C1 ZINC000067291904 571068258 /nfs/dbraw/zinc/06/82/58/571068258.db2.gz CIEFVDNCKSODGF-UHFFFAOYSA-N -1 3 410.902 3.474 50 0 HGAAHM CC(=O)Nc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)c1 ZINC000008823272 571121725 /nfs/dbraw/zinc/12/17/25/571121725.db2.gz NKBWHTMLJCRGSC-UHFFFAOYSA-N -1 3 417.472 3.073 50 0 HGAAHM O=c1[n-]nc(Sc2ncnc3sc4c(c32)CCCCC4)n1C[C@@H]1CCCO1 ZINC000009119940 571225021 /nfs/dbraw/zinc/22/50/21/571225021.db2.gz OCKGRRKBPZIHPO-NSHDSACASA-N -1 3 403.533 3.175 50 0 HGAAHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009464944 571260819 /nfs/dbraw/zinc/26/08/19/571260819.db2.gz PFHMHJJRXXOZPL-UHFFFAOYSA-N -1 3 418.899 3.064 50 0 HGAAHM Cc1nc(-c2cccc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)c2)cs1 ZINC000009516028 571264994 /nfs/dbraw/zinc/26/49/94/571264994.db2.gz ULWASVGEBZKDGN-UHFFFAOYSA-N -1 3 407.542 3.487 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(Cl)c2)cc1 ZINC000009526106 571265841 /nfs/dbraw/zinc/26/58/41/571265841.db2.gz VODKJOHKFCSCCT-UHFFFAOYSA-N -1 3 424.906 3.151 50 0 HGAAHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC000071853545 571303656 /nfs/dbraw/zinc/30/36/56/571303656.db2.gz UOWLMXBVMSBBAV-UHFFFAOYSA-N -1 3 407.514 3.347 50 0 HGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CCc4ccccc43)cc(C(C)C)nc21 ZINC000032059622 519482947 /nfs/dbraw/zinc/48/29/47/519482947.db2.gz HNILJAIZBRCZSL-UHFFFAOYSA-N -1 3 406.486 3.067 50 0 HGAAHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(OC)cc2)N1 ZINC000020036698 519962410 /nfs/dbraw/zinc/96/24/10/519962410.db2.gz BYGSEVRFBGIZEL-SFHVURJKSA-N -1 3 415.412 3.443 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccc(F)c(F)c3)cc(C(C)C)nc21 ZINC000032059706 521614413 /nfs/dbraw/zinc/61/44/13/521614413.db2.gz KHYSMRAFQOVWNM-UHFFFAOYSA-N -1 3 402.401 3.149 50 0 HGAAHM COc1ccc(C)cc1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000665669 557045203 /nfs/dbraw/zinc/04/52/03/557045203.db2.gz FSKDKYVJXKXVOH-UHFFFAOYSA-N -1 3 403.287 3.227 50 0 HGAAHM O=C(NCc1ccc(S(=O)(=O)[N-]CCc2ccccc2)s1)c1ccccc1 ZINC000001040352 557152861 /nfs/dbraw/zinc/15/28/61/557152861.db2.gz HVSBOSYOTDYCPC-UHFFFAOYSA-N -1 3 400.525 3.199 50 0 HGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@H]1c1ccc(C(C)C)cc1 ZINC000034739293 557451156 /nfs/dbraw/zinc/45/11/56/557451156.db2.gz QSETTYVGZPLHPP-YADHBBJMSA-N -1 3 418.559 3.267 50 0 HGAAHM Cc1cc(C(F)F)nn1Cc1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1 ZINC000002808257 557767264 /nfs/dbraw/zinc/76/72/64/557767264.db2.gz KHIFOAZZJPCTGL-UHFFFAOYSA-N -1 3 401.446 3.292 50 0 HGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccc2cccnc21 ZINC000009260452 557833263 /nfs/dbraw/zinc/83/32/63/557833263.db2.gz RCCRJVPFSVOVFV-FQEVSTJZSA-N -1 3 408.483 3.304 50 0 HGAAHM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853635 557840155 /nfs/dbraw/zinc/84/01/55/557840155.db2.gz VDDIYJCDPZAMPZ-QGZVFWFLSA-N -1 3 414.531 3.342 50 0 HGAAHM O=C1N2CCSC2=N[C@@]1([N-]c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000019858339 558297000 /nfs/dbraw/zinc/29/70/00/558297000.db2.gz JYXYJAQFUNNXJL-SNVBAGLBSA-N -1 3 404.723 3.369 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1csc(-c2cccnc2)n1 ZINC000019942481 558313962 /nfs/dbraw/zinc/31/39/62/558313962.db2.gz JQZAIVFZWMDKOF-UHFFFAOYSA-N -1 3 409.920 3.388 50 0 HGAAHM O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-])NCCCN1CCOCC1 ZINC000020001425 558317909 /nfs/dbraw/zinc/31/79/09/558317909.db2.gz RAJZCWMYQBWRSA-LJQANCHMSA-N -1 3 402.922 3.406 50 0 HGAAHM Cc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c1C ZINC000020417814 558361043 /nfs/dbraw/zinc/36/10/43/558361043.db2.gz IKLCWWCGDHBINF-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)[N-]C1=NCCS1 ZINC000012380561 558393123 /nfs/dbraw/zinc/39/31/23/558393123.db2.gz YKEBISFSCKNYHM-ZDUSSCGKSA-N -1 3 410.528 3.029 50 0 HGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)N1 ZINC000013960044 558608363 /nfs/dbraw/zinc/60/83/63/558608363.db2.gz UGVGAZWLAPWEIA-INIZCTEOSA-N -1 3 416.787 3.354 50 0 HGAAHM Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccc([O-])c4ncccc34)CC2)c1 ZINC000025286197 558636858 /nfs/dbraw/zinc/63/68/58/558636858.db2.gz OKYRYCAREFYSDD-UHFFFAOYSA-N -1 3 411.527 3.064 50 0 HGAAHM O=S(=O)([N-]C1CCN(c2nnc(-c3ccccc3)s2)CC1)c1cccs1 ZINC000026704017 558664490 /nfs/dbraw/zinc/66/44/90/558664490.db2.gz COERUFJILNHLHE-UHFFFAOYSA-N -1 3 406.558 3.214 50 0 HGAAHM CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043593 558704275 /nfs/dbraw/zinc/70/42/75/558704275.db2.gz GYQZXBGSOZIYKD-SFHVURJKSA-N -1 3 409.530 3.480 50 0 HGAAHM CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)o2)cc1 ZINC000030661482 558735479 /nfs/dbraw/zinc/73/54/79/558735479.db2.gz KIVZYXOUAROVLO-UHFFFAOYSA-N -1 3 418.449 3.453 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(Cc4ccccc4)nn32)c(C)c1 ZINC000015882052 558760515 /nfs/dbraw/zinc/76/05/15/558760515.db2.gz MFQGVOFXLFRPLA-UHFFFAOYSA-N -1 3 420.498 3.163 50 0 HGAAHM COC(=O)[C@@]([N-]c1ccccc1OC)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F ZINC000004624691 558888440 /nfs/dbraw/zinc/88/84/40/558888440.db2.gz HFVNWOHSPMYABY-SFHVURJKSA-N -1 3 415.364 3.461 50 0 HGAAHM CC(=O)Nc1ccc2nc(NC(=S)[N-]C(=O)COc3ccccc3)sc2c1 ZINC000004689127 558899192 /nfs/dbraw/zinc/89/91/92/558899192.db2.gz IDEAFONMBMVXJP-UHFFFAOYSA-N -1 3 400.485 3.147 50 0 HGAAHM O=c1c2ccccc2nc(/C=C\c2cc(Br)ccc2[O-])n1CCCO ZINC000033248165 558916809 /nfs/dbraw/zinc/91/68/09/558916809.db2.gz POCPNMLBQFVBKA-TWGQIWQCSA-N -1 3 401.260 3.417 50 0 HGAAHM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000097940933 558945793 /nfs/dbraw/zinc/94/57/93/558945793.db2.gz NFPWXOKMJRTVJC-UHFFFAOYSA-N -1 3 422.894 3.443 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(C)c(NC(C)=O)c3)n2)cc1 ZINC000033276335 559036094 /nfs/dbraw/zinc/03/60/94/559036094.db2.gz FHCJSTOVLFOQMK-UHFFFAOYSA-N -1 3 400.460 3.432 50 0 HGAAHM CCOc1ccc(NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000004909063 559201291 /nfs/dbraw/zinc/20/12/91/559201291.db2.gz CQSJZYCBVDFERG-OAHLLOKOSA-N -1 3 414.574 3.186 50 0 HGAAHM O=C(c1c([O-])cccc1O)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426489316 559271912 /nfs/dbraw/zinc/27/19/12/559271912.db2.gz DUTCYBJWIVLMAO-XMMPIXPASA-N -1 3 408.498 3.185 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@H](c2ccccc2OC)C1 ZINC000061983953 560564707 /nfs/dbraw/zinc/56/47/07/560564707.db2.gz XNZYHESERSNXLS-IBGZPJMESA-N -1 3 401.488 3.154 50 0 HGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCO)C3=O)cc1Cl ZINC000005343121 560568095 /nfs/dbraw/zinc/56/80/95/560568095.db2.gz MGRVJBUBUGWGDF-IBGZPJMESA-N -1 3 401.825 3.421 50 0 HGAAHM COc1ccc(I)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000170615124 560767876 /nfs/dbraw/zinc/76/78/76/560767876.db2.gz SDARXHZLXPCOPC-LLVKDONJSA-N -1 3 417.268 3.339 50 0 HGAAHM COc1ccc(OC)c(C2=NOC3=C([O-])N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)c1 ZINC000101311263 560791352 /nfs/dbraw/zinc/79/13/52/560791352.db2.gz ZQMDGDPYCDZGDY-WBVHZDCISA-N -1 3 421.236 3.303 50 0 HGAAHM CCc1ccccc1NCc1cc(=O)n2nc(NCc3ccccc3OC)[n-]c2n1 ZINC000101796670 560801693 /nfs/dbraw/zinc/80/16/93/560801693.db2.gz IISCGZQONXNFLK-UHFFFAOYSA-N -1 3 404.474 3.213 50 0 HGAAHM CCOc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)cc1 ZINC000046031433 568424507 /nfs/dbraw/zinc/42/45/07/568424507.db2.gz BIWUTTQEVUYARI-UHFFFAOYSA-N -1 3 421.482 3.238 50 0 HGAAHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2nc(C3CCCCC3)cs2)s1 ZINC000390830662 568493662 /nfs/dbraw/zinc/49/36/62/568493662.db2.gz MOGXMIRFTWMSIN-UHFFFAOYSA-N -1 3 400.551 3.084 50 0 HGAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)NCc1ccccc1 ZINC000020467745 568610506 /nfs/dbraw/zinc/61/05/06/568610506.db2.gz DBBOXVSEWNJNGM-UHFFFAOYSA-N -1 3 420.538 3.149 50 0 HGAAHM Nn1c(SCc2nc(C(F)(F)F)cc(=O)[n-]2)nnc1-c1ccccc1Cl ZINC000095441017 568610584 /nfs/dbraw/zinc/61/05/84/568610584.db2.gz SYIYTWRRLRUPHK-UHFFFAOYSA-N -1 3 402.789 3.119 50 0 HGAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1ccccc1 ZINC000020467729 568610635 /nfs/dbraw/zinc/61/06/35/568610635.db2.gz LQOCPNPNNLWDDN-UHFFFAOYSA-N -1 3 406.511 3.471 50 0 HGAAHM Cc1csc([C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C2CC2)n1 ZINC000095460708 568620258 /nfs/dbraw/zinc/62/02/58/568620258.db2.gz FBTZBGCBXYHHCV-INIZCTEOSA-N -1 3 424.523 3.304 50 0 HGAAHM COC(=O)C[C@H](c1ccnn1C)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095479516 568632459 /nfs/dbraw/zinc/63/24/59/568632459.db2.gz RZITUBSCKAGJJF-CYBMUJFWSA-N -1 3 418.446 3.205 50 0 HGAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)-c1cc(OC)c(OC)cc1C2 ZINC000095480730 568633478 /nfs/dbraw/zinc/63/34/78/568633478.db2.gz SHENZYYBAPATPP-UHFFFAOYSA-N -1 3 419.455 3.015 50 0 HGAAHM Cc1cc2nc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc(=O)n2o1 ZINC000020984482 568654922 /nfs/dbraw/zinc/65/49/22/568654922.db2.gz CKBMZOABTTUZFX-UHFFFAOYSA-N -1 3 405.486 3.054 50 0 HGAAHM Cc1cc([N-]C(=O)[C@H](C)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC000225733750 568669195 /nfs/dbraw/zinc/66/91/95/568669195.db2.gz LVJHIFLGGMSLLX-RYQLBKOJSA-N -1 3 414.506 3.303 50 0 HGAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1cccc(OC(F)F)c1)SCC(=O)N2 ZINC000096117047 568696413 /nfs/dbraw/zinc/69/64/13/568696413.db2.gz FLEWXXYYKXMHPV-OAHLLOKOSA-N -1 3 411.430 3.316 50 0 HGAAHM CCNC(=O)N(Cc1ccco1)Cc1nc(CC)c(Cc2ccc(OC)cc2)c(=O)[n-]1 ZINC000096317646 568726738 /nfs/dbraw/zinc/72/67/38/568726738.db2.gz YBIMOYKIZBOJTN-UHFFFAOYSA-N -1 3 424.501 3.256 50 0 HGAAHM CCOC(=O)C1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022609239 568771761 /nfs/dbraw/zinc/77/17/61/568771761.db2.gz NBSNAAIPIWRFCU-MRXNPFEDSA-N -1 3 400.504 3.169 50 0 HGAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(Cl)cc1Cl ZINC000002665053 568800108 /nfs/dbraw/zinc/80/01/08/568800108.db2.gz MMMQAEUZHNVUFW-VXGBXAGGSA-N -1 3 423.362 3.177 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCCCCC2)[n-]c3=O)cc1C ZINC000002718053 568802655 /nfs/dbraw/zinc/80/26/55/568802655.db2.gz OUXRZBWQIOMZGX-UHFFFAOYSA-N -1 3 411.531 3.220 50 0 HGAAHM Cc1c([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cnn1-c1ccc(C)cc1 ZINC000029282385 568823990 /nfs/dbraw/zinc/82/39/90/568823990.db2.gz MJSIOWUBFRXYPK-HNNXBMFYSA-N -1 3 412.515 3.352 50 0 HGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000057289825 568825977 /nfs/dbraw/zinc/82/59/77/568825977.db2.gz YLHZQUDGBCWUFU-QFIPXVFZSA-N -1 3 407.514 3.406 50 0 HGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc3c(c2)OCO3)CCO1 ZINC000005862077 568826457 /nfs/dbraw/zinc/82/64/57/568826457.db2.gz JAQOCFQWSLJDLY-SJKOYZFVSA-N -1 3 417.487 3.222 50 0 HGAAHM Cc1c([N-]S(=O)(=O)c2ccccc2Br)c(=O)n(-c2ccccc2)n1C ZINC000012535998 568845418 /nfs/dbraw/zinc/84/54/18/568845418.db2.gz QYLFOQIPLNQTHU-UHFFFAOYSA-N -1 3 422.304 3.048 50 0 HGAAHM CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000012550487 568853238 /nfs/dbraw/zinc/85/32/38/568853238.db2.gz AUDQCYQFJLIYRZ-UHFFFAOYSA-N -1 3 411.771 3.341 50 0 HGAAHM Cc1ccc2c(CC(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)coc2c1 ZINC000030999296 568908433 /nfs/dbraw/zinc/90/84/33/568908433.db2.gz PGWXHQAUMXMVCD-UHFFFAOYSA-N -1 3 418.540 3.315 50 0 HGAAHM COc1c(C)cnc(CN2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1C ZINC000031809658 568932294 /nfs/dbraw/zinc/93/22/94/568932294.db2.gz WSKUZRUFSNHTNW-QFIPXVFZSA-N -1 3 422.529 3.440 50 0 HGAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000012771572 568951992 /nfs/dbraw/zinc/95/19/92/568951992.db2.gz LRMLLNWQBWWKQQ-MRXNPFEDSA-N -1 3 414.889 3.474 50 0 HGAAHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000004264620 568956051 /nfs/dbraw/zinc/95/60/51/568956051.db2.gz CYTYQVPACRJHSZ-CYBMUJFWSA-N -1 3 416.459 3.145 50 0 HGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004317581 568962660 /nfs/dbraw/zinc/96/26/60/568962660.db2.gz ZTMUSGMZWNDSCV-UHFFFAOYSA-N -1 3 415.393 3.005 50 0 HGAAHM C[C@]1(CSc2ccccc2C(=O)N2CC[C@H]3CCCC[C@@H]3C2)NC(=O)[N-]C1=O ZINC000008368566 568995501 /nfs/dbraw/zinc/99/55/01/568995501.db2.gz CJMRDASYUVWUQU-VTJXTGGHSA-N -1 3 401.532 3.029 50 0 HGAAHM Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c([O-])c1 ZINC000008378552 568995961 /nfs/dbraw/zinc/99/59/61/568995961.db2.gz OLXZVLAMTGDOJI-QHCPKHFHSA-N -1 3 403.438 3.260 50 0 HGAAHM O=S(=O)([N-]CCc1csc2nc(-c3cccc(F)c3)nn12)c1cccs1 ZINC000015783992 569003319 /nfs/dbraw/zinc/00/33/19/569003319.db2.gz DETFUKLZZOCXAG-UHFFFAOYSA-N -1 3 408.505 3.179 50 0 HGAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21 ZINC000035588261 569046195 /nfs/dbraw/zinc/04/61/95/569046195.db2.gz GYEUKOZFIRWNFP-UHFFFAOYSA-N -1 3 417.531 3.153 50 0 HGAAHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000012990943 569047992 /nfs/dbraw/zinc/04/79/92/569047992.db2.gz DPDOZGSGUILXBK-SNVBAGLBSA-N -1 3 414.842 3.035 50 0 HGAAHM Cc1ccc(CNCc2cccn2-c2nnc(N3CCC(C(=O)[O-])CC3)s2)cc1 ZINC000007001998 569051735 /nfs/dbraw/zinc/05/17/35/569051735.db2.gz JVQFOXYMOAXLEH-UHFFFAOYSA-N -1 3 411.531 3.228 50 0 HGAAHM COc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000001803633 569053435 /nfs/dbraw/zinc/05/34/35/569053435.db2.gz OQHIGQNYZKAIPR-HOCLYGCPSA-N -1 3 417.259 3.333 50 0 biogenic HGAAHM Cc1nn(Cc2ccc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)o2)c(C)c1Cl ZINC000006526484 569063199 /nfs/dbraw/zinc/06/31/99/569063199.db2.gz OLELZFVAVCROSI-OAHLLOKOSA-N -1 3 404.776 3.267 50 0 HGAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000006915684 569182258 /nfs/dbraw/zinc/18/22/58/569182258.db2.gz FJTWMZIIAKPPOZ-UHFFFAOYSA-N -1 3 409.446 3.263 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ncccc3O)c2)cc1F ZINC000036619911 569211833 /nfs/dbraw/zinc/21/18/33/569211833.db2.gz WICONOWIUDXDNB-UHFFFAOYSA-N -1 3 401.419 3.288 50 0 HGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(Br)cc1Cl ZINC000007307774 569233079 /nfs/dbraw/zinc/23/30/79/569233079.db2.gz RNNYEWYHEHFCMO-UHFFFAOYSA-N -1 3 404.669 3.310 50 0 HGAAHM Cn1ccc2cc([C@H](O)C[N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000239611716 569235680 /nfs/dbraw/zinc/23/56/80/569235680.db2.gz FBPWALUZTVZWLY-CYBMUJFWSA-N -1 3 415.334 3.014 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000170617463 569248106 /nfs/dbraw/zinc/24/81/06/569248106.db2.gz WKTKYHZZBCQFOY-MRXNPFEDSA-N -1 3 421.950 3.147 50 0 HGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccccc1 ZINC000002875183 569278273 /nfs/dbraw/zinc/27/82/73/569278273.db2.gz KROWOQXQPWTPLW-UHFFFAOYSA-N -1 3 414.458 3.322 50 0 HGAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)cs2)no1 ZINC000006681368 569280033 /nfs/dbraw/zinc/28/00/33/569280033.db2.gz AEGAXTDQFXZZRK-UHFFFAOYSA-N -1 3 403.485 3.438 50 0 HGAAHM COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1oc2ccccc2c(=O)c1[O-] ZINC000253414412 569366981 /nfs/dbraw/zinc/36/69/81/569366981.db2.gz XKRVRVIQASRZJT-CQSZACIVSA-N -1 3 414.410 3.219 50 0 biogenic HGAAHM CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008724349 571107726 /nfs/dbraw/zinc/10/77/26/571107726.db2.gz VSVGCPAWENSDPN-UHFFFAOYSA-N -1 3 416.528 3.445 50 0 HGAAHM CCN1CCC[C@@H]1CNC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000008879708 571131063 /nfs/dbraw/zinc/13/10/63/571131063.db2.gz QPFQUDVKEBEAJM-QGZVFWFLSA-N -1 3 422.481 3.145 50 0 biogenic HGAAHM CCN1CCC[C@@H]1CNC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008879708 571131065 /nfs/dbraw/zinc/13/10/65/571131065.db2.gz QPFQUDVKEBEAJM-QGZVFWFLSA-N -1 3 422.481 3.145 50 0 biogenic HGAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(NCCc2ccccc2)n1 ZINC000039383710 571131635 /nfs/dbraw/zinc/13/16/35/571131635.db2.gz MMNVODPUMLUOPB-UHFFFAOYSA-N -1 3 404.518 3.426 50 0 HGAAHM COc1ccccc1-c1nc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n[n-]1 ZINC000040088561 571158598 /nfs/dbraw/zinc/15/85/98/571158598.db2.gz NEMIFEDIMWOWBL-ZDUSSCGKSA-N -1 3 411.487 3.033 50 0 HGAAHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000040111126 571169231 /nfs/dbraw/zinc/16/92/31/571169231.db2.gz KQQINETXMCKTCJ-JOCHJYFZSA-N -1 3 424.457 3.341 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1C ZINC000008961628 571189993 /nfs/dbraw/zinc/18/99/93/571189993.db2.gz QDQPSAPXMHDDDL-UHFFFAOYSA-N -1 3 404.488 3.049 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1OC ZINC000040157749 571204249 /nfs/dbraw/zinc/20/42/49/571204249.db2.gz ZRMBBBQWUMWOJK-UHFFFAOYSA-N -1 3 418.519 3.094 50 0 HGAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c(OC)c1 ZINC000009151550 571230517 /nfs/dbraw/zinc/23/05/17/571230517.db2.gz VBGHBVNUTLFMKE-LLVKDONJSA-N -1 3 424.906 3.456 50 0 HGAAHM CCN(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000009377788 571253205 /nfs/dbraw/zinc/25/32/05/571253205.db2.gz XKDUPZOKDBCPRT-UHFFFAOYSA-N -1 3 419.510 3.250 50 0 HGAAHM O=C([N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1C(F)(F)F ZINC000009562994 571268552 /nfs/dbraw/zinc/26/85/52/571268552.db2.gz KNSMXVLNSMWBSR-UHFFFAOYSA-N -1 3 417.322 3.124 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)NCc1ccco1 ZINC000009590908 571271626 /nfs/dbraw/zinc/27/16/26/571271626.db2.gz BVSQXYCSHTWKGP-UHFFFAOYSA-N -1 3 415.862 3.176 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(F)cc3)s2)on1 ZINC000009688911 571280261 /nfs/dbraw/zinc/28/02/61/571280261.db2.gz MHTLGVHGSULIHH-UHFFFAOYSA-N -1 3 410.448 3.197 50 0 HGAAHM O=S(=O)([N-]C[C@](O)(c1ccccc1)C1CC1)c1ccc(Br)s1 ZINC000070968289 571283460 /nfs/dbraw/zinc/28/34/60/571283460.db2.gz WGUMKQNIJJVMAK-HNNXBMFYSA-N -1 3 402.335 3.087 50 0 HGAAHM CCOc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3ccccc3F)nn2)cc1 ZINC000009853015 571288341 /nfs/dbraw/zinc/28/83/41/571288341.db2.gz LOJDOXROFHBYCQ-UHFFFAOYSA-N -1 3 417.462 3.039 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]Cc2nn(C)c(=O)c3ccccc32)c(Cl)cc1Cl ZINC000077099392 571310957 /nfs/dbraw/zinc/31/09/57/571310957.db2.gz JCOMZNASSILDQZ-UHFFFAOYSA-N -1 3 412.298 3.027 50 0 HGAAHM CCOc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(CO)cc32)CC1 ZINC000032102644 521517311 /nfs/dbraw/zinc/51/73/11/521517311.db2.gz LJEASBIVNATJRK-JOCHJYFZSA-N -1 3 409.486 3.007 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3cccc4cccnc43)cc(C(C)C)nc21 ZINC000032079410 521614877 /nfs/dbraw/zinc/61/48/77/521614877.db2.gz BDPCBYZXNCPLFD-UHFFFAOYSA-N -1 3 417.469 3.419 50 0 HGAAHM COc1ccc(N2C(=O)CC[C@@H](C(=O)[N-]C3=NCCS3)[C@H]2c2ccccc2)cc1 ZINC000007986883 536659071 /nfs/dbraw/zinc/65/90/71/536659071.db2.gz JTVGMGJYYXJIIX-UYAOXDASSA-N -1 3 409.511 3.399 50 0 HGAAHM CCc1nnc([N-]C(=O)c2cc(OC)c(OC)c(OC)c2Br)s1 ZINC000000943877 557122263 /nfs/dbraw/zinc/12/22/63/557122263.db2.gz WKESLMYQGFNRHT-UHFFFAOYSA-N -1 3 402.270 3.141 50 0 HGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000001116944 557187765 /nfs/dbraw/zinc/18/77/65/557187765.db2.gz HWMLWOJHAZPJOU-UHFFFAOYSA-N -1 3 414.277 3.055 50 0 HGAAHM COc1ccc(C2=NO[C@@H](C(=O)Nc3cc(Br)ccc3[O-])C2)cc1OC ZINC000004035741 557506726 /nfs/dbraw/zinc/50/67/26/557506726.db2.gz BSJXPJCGNARBDR-QGZVFWFLSA-N -1 3 421.247 3.304 50 0 HGAAHM CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000004083947 557511311 /nfs/dbraw/zinc/51/13/11/557511311.db2.gz URQLQQGENCGBLP-CQSZACIVSA-N -1 3 413.268 3.135 50 0 HGAAHM Cc1cc2c(nc(C)n([N-]C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)c2=O)s1 ZINC000002780631 557761654 /nfs/dbraw/zinc/76/16/54/557761654.db2.gz SRKREUMSZNTRQA-UHFFFAOYSA-N -1 3 419.816 3.022 50 0 HGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)CC1 ZINC000022853449 557840166 /nfs/dbraw/zinc/84/01/66/557840166.db2.gz GJQHTKMMZXBUHY-KRWDZBQOSA-N -1 3 414.531 3.423 50 0 HGAAHM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCC(O)CC2)cc1 ZINC000022855215 557842527 /nfs/dbraw/zinc/84/25/27/557842527.db2.gz IHSLNNHCEHAJLU-QGZVFWFLSA-N -1 3 402.520 3.004 50 0 HGAAHM CN1CC[C@H](c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@H](O)C1 ZINC000021288966 558434875 /nfs/dbraw/zinc/43/48/75/558434875.db2.gz BIIVYFLTOXDAOV-YVEFUNNKSA-N -1 3 401.846 3.305 50 0 investigational HGAAHM O=C(N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000012612908 558439238 /nfs/dbraw/zinc/43/92/38/558439238.db2.gz RIPIBHDSMBNBOS-NEFAXPCMSA-N -1 3 422.616 3.481 50 0 HGAAHM CON(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000012631352 558442057 /nfs/dbraw/zinc/44/20/57/558442057.db2.gz AKJZQAUDNJCDKQ-UHFFFAOYSA-N -1 3 413.293 3.192 50 0 HGAAHM O=C(c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000021905486 558455006 /nfs/dbraw/zinc/45/50/06/558455006.db2.gz GEYAXWYFEXRZDO-DZGCQCFKSA-N -1 3 404.454 3.180 50 0 HGAAHM C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012797113 558469599 /nfs/dbraw/zinc/46/95/99/558469599.db2.gz YEFPHUXFRPJYPS-CYBMUJFWSA-N -1 3 403.429 3.348 50 0 HGAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)cc1 ZINC000013070182 558511163 /nfs/dbraw/zinc/51/11/63/558511163.db2.gz MJJYXIHCNDHHLK-MRXNPFEDSA-N -1 3 408.907 3.358 50 0 HGAAHM O=C(Nc1ccccc1O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000023075007 558533192 /nfs/dbraw/zinc/53/31/92/558533192.db2.gz UDKUMRPTPMOWJQ-GOSISDBHSA-N -1 3 414.458 3.060 50 0 HGAAHM COc1ccc([C@@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)cc1OC ZINC000004459141 558590400 /nfs/dbraw/zinc/59/04/00/558590400.db2.gz PGUDQFZDQCLXMT-GOSISDBHSA-N -1 3 401.422 3.471 50 0 HGAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1cc(Cl)ccc1Cl ZINC000024257806 558593304 /nfs/dbraw/zinc/59/33/04/558593304.db2.gz LPJIXHAYLKCHEH-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM O=C(c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Cl)cc1Cl)N1CCCC1 ZINC000014189962 558632364 /nfs/dbraw/zinc/63/23/64/558632364.db2.gz YRBAYUAVYKLIGP-UHFFFAOYSA-N -1 3 403.287 3.301 50 0 HGAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)NC(=O)C1CCCCC1 ZINC000014190714 558632624 /nfs/dbraw/zinc/63/26/24/558632624.db2.gz LRUFKVVKUPPSIT-UHFFFAOYSA-N -1 3 408.911 3.352 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N(C)c2ccccc2)[n-]c3=O)cc1 ZINC000014199422 558635407 /nfs/dbraw/zinc/63/54/07/558635407.db2.gz IOTLELSHFOERCL-UHFFFAOYSA-N -1 3 405.483 3.172 50 0 HGAAHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000025670258 558647242 /nfs/dbraw/zinc/64/72/42/558647242.db2.gz FVPFZPXDBMRDRN-UHFFFAOYSA-N -1 3 410.515 3.238 50 0 HGAAHM COc1ccccc1-c1cc(COC(=O)c2cccc([N-]S(C)(=O)=O)c2)on1 ZINC000026254264 558657891 /nfs/dbraw/zinc/65/78/91/558657891.db2.gz RXHTXCMWHNXSEW-UHFFFAOYSA-N -1 3 402.428 3.079 50 0 HGAAHM C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026981885 558667889 /nfs/dbraw/zinc/66/78/89/558667889.db2.gz DJHCFYFFDZOOLJ-NSHDSACASA-N -1 3 422.557 3.279 50 0 HGAAHM O=S(=O)([N-]c1cc(-n2nnnc2C2CC2)ccc1F)c1ccc2c(c1)CCCC2 ZINC000072301053 558750812 /nfs/dbraw/zinc/75/08/12/558750812.db2.gz ALDBIPAWAIXYIE-UHFFFAOYSA-N -1 3 413.478 3.358 50 0 HGAAHM C[C@@H]1CO[P@](=O)([C@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000034132087 558773044 /nfs/dbraw/zinc/77/30/44/558773044.db2.gz BNAILMRPGCYYNP-GIKCVCJRSA-N -1 3 408.627 3.290 50 0 HGAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2Cl)C1=O)c1ccccc1 ZINC000017027402 558812212 /nfs/dbraw/zinc/81/22/12/558812212.db2.gz NMNUSQRCRDZBKG-KRWDZBQOSA-N -1 3 411.767 3.285 50 0 HGAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(N2CCc3ccccc3C2)n1 ZINC000039383647 558820591 /nfs/dbraw/zinc/82/05/91/558820591.db2.gz MRTDSKSZDKESAK-UHFFFAOYSA-N -1 3 402.502 3.088 50 0 HGAAHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000033029187 558852250 /nfs/dbraw/zinc/85/22/50/558852250.db2.gz SEHKAWAOFJNVSS-BEFAXECRSA-N -1 3 424.888 3.058 50 0 HGAAHM CC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000033029145 558852256 /nfs/dbraw/zinc/85/22/56/558852256.db2.gz BEZXBCWQFGPGDL-IBGZPJMESA-N -1 3 421.494 3.034 50 0 HGAAHM COC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000033028564 558852361 /nfs/dbraw/zinc/85/23/61/558852361.db2.gz YNPAQOOEXPVZTB-NSHDSACASA-N -1 3 400.859 3.045 50 0 HGAAHM CCCCCCNC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccco1 ZINC000004671613 558885846 /nfs/dbraw/zinc/88/58/46/558885846.db2.gz NKRQRDOKZVSKHX-GOSISDBHSA-N -1 3 408.520 3.394 50 0 HGAAHM O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000072169440 558930495 /nfs/dbraw/zinc/93/04/95/558930495.db2.gz GKNBLOOGSJZDCL-QGZVFWFLSA-N -1 3 403.438 3.297 50 0 HGAAHM CCOC(=O)c1sc([N-]C(=O)c2ccc(I)o2)nc1C ZINC000096602106 558981161 /nfs/dbraw/zinc/98/11/61/558981161.db2.gz IXSWWCSVZPCZHB-UHFFFAOYSA-N -1 3 406.201 3.078 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc([C@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 ZINC000033276342 559036103 /nfs/dbraw/zinc/03/61/03/559036103.db2.gz HLNRGBZNWGKCIB-HNNXBMFYSA-N -1 3 412.471 3.019 50 0 HGAAHM O=C(Cc1c(F)cccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450639 559076663 /nfs/dbraw/zinc/07/66/63/559076663.db2.gz SIBLERBUHWFGAO-UHFFFAOYSA-N -1 3 416.927 3.053 50 0 HGAAHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc21 ZINC000004874108 559194922 /nfs/dbraw/zinc/19/49/22/559194922.db2.gz MQGUICYHTVFYNU-GOSISDBHSA-N -1 3 412.536 3.227 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccccc1Cl ZINC000004879939 559196137 /nfs/dbraw/zinc/19/61/37/559196137.db2.gz PULYRHJZYBWYRP-MRXNPFEDSA-N -1 3 400.953 3.063 50 0 HGAAHM COC(=O)c1ccc(C(=O)[N-]C(=S)N=c2sc3cc(C)cc(C)c3n2C)cc1 ZINC000100819197 559269399 /nfs/dbraw/zinc/26/93/99/559269399.db2.gz QMMCFHCGLRVDJI-LSDHQDQOSA-N -1 3 413.524 3.259 50 0 HGAAHM COc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c1 ZINC000012462133 560211966 /nfs/dbraw/zinc/21/19/66/560211966.db2.gz JWZYZUJEMRTMCF-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 biogenic,in-vitro HGAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)c2c1 ZINC000096736400 560602516 /nfs/dbraw/zinc/60/25/16/560602516.db2.gz AOOMQJJGEZWGER-NRFANRHFSA-N -1 3 421.501 3.105 50 0 HGAAHM COc1ccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c(OC)c1 ZINC000101358804 560792444 /nfs/dbraw/zinc/79/24/44/560792444.db2.gz VKUQRBISRFOJKN-RDJZCZTQSA-N -1 3 421.236 3.303 50 0 HGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074578 568427005 /nfs/dbraw/zinc/42/70/05/568427005.db2.gz AUTSKWHUMQVJRV-OAHLLOKOSA-N -1 3 424.457 3.266 50 0 HGAAHM CC(C)COc1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000024863651 568473435 /nfs/dbraw/zinc/47/34/35/568473435.db2.gz CBNQDASTJQXXQS-UHFFFAOYSA-N -1 3 402.925 3.353 50 0 HGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)ccc1O ZINC000096118362 568697871 /nfs/dbraw/zinc/69/78/71/568697871.db2.gz MSWVMJGIBFALMG-MRXNPFEDSA-N -1 3 407.517 3.146 50 0 HGAAHM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)N1CCCc2ccccc21 ZINC000021537139 568712149 /nfs/dbraw/zinc/71/21/49/568712149.db2.gz BENYGVMLOJZTCV-UHFFFAOYSA-N -1 3 417.494 3.156 50 0 HGAAHM COCCc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 ZINC000018830651 568741558 /nfs/dbraw/zinc/74/15/58/568741558.db2.gz OXSRTDWVKRBFDG-UHFFFAOYSA-N -1 3 408.487 3.306 50 0 HGAAHM Cc1ccc([C@H]2c3c(=O)[n-]c(=O)[nH]c3NC(C)=C2C(=O)OCc2ccccc2)s1 ZINC000005867032 568826861 /nfs/dbraw/zinc/82/68/61/568826861.db2.gz ZWOUFMHGJQDCLL-MRXNPFEDSA-N -1 3 409.467 3.008 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000012560229 568857527 /nfs/dbraw/zinc/85/75/27/568857527.db2.gz RSJHOEBTNOCRQZ-VIFPVBQESA-N -1 3 415.443 3.319 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000003334071 568882475 /nfs/dbraw/zinc/88/24/75/568882475.db2.gz KLNVVBSXKMPMQB-PBHICJAKSA-N -1 3 410.536 3.103 50 0 HGAAHM Cc1noc(C)c1COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003364568 568888750 /nfs/dbraw/zinc/88/87/50/568888750.db2.gz BUHTUQPZZSKQOG-SECBINFHSA-N -1 3 407.275 3.008 50 0 HGAAHM Cc1ccc(-c2csc3ncn(CCC(=O)[N-]O[C@@H]4CCCCO4)c(=O)c23)cc1 ZINC000058135829 568890211 /nfs/dbraw/zinc/89/02/11/568890211.db2.gz ISDLAEGDULWBFB-GOSISDBHSA-N -1 3 413.499 3.398 50 0 HGAAHM CCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012756926 568944240 /nfs/dbraw/zinc/94/42/40/568944240.db2.gz PHRRURIIAQUJRF-UHFFFAOYSA-N -1 3 413.493 3.231 50 0 HGAAHM CCN(C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)c1ccccc1 ZINC000015732557 568982425 /nfs/dbraw/zinc/98/24/25/568982425.db2.gz AAJIOENRDVUEQZ-UHFFFAOYSA-N -1 3 423.473 3.369 50 0 HGAAHM Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c([O-])c1 ZINC000008378547 568996002 /nfs/dbraw/zinc/99/60/02/568996002.db2.gz OLXZVLAMTGDOJI-HSZRJFAPSA-N -1 3 403.438 3.260 50 0 HGAAHM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(OCc3ccccc3)c2)C1=O ZINC000012985207 569047723 /nfs/dbraw/zinc/04/77/23/569047723.db2.gz BTONNEYNYWAKCC-DEOSSOPVSA-N -1 3 415.449 3.378 50 0 HGAAHM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000013015770 569050855 /nfs/dbraw/zinc/05/08/55/569050855.db2.gz MOGAHXCOBZTLPD-UHFFFAOYSA-N -1 3 409.316 3.045 50 0 HGAAHM COc1nccnc1[N-]S(=O)(=O)c1ccc(N=CC=NNc2ccccc2)cc1 ZINC000252598201 569060696 /nfs/dbraw/zinc/06/06/96/569060696.db2.gz CYABJDJECFHHNB-UHFFFAOYSA-N -1 3 410.459 3.086 50 0 HGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(-n2ccnc2)cc1 ZINC000089466038 569060736 /nfs/dbraw/zinc/06/07/36/569060736.db2.gz BTWGGSRRXCIODD-UHFFFAOYSA-N -1 3 422.304 3.122 50 0 HGAAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116851 569180007 /nfs/dbraw/zinc/18/00/07/569180007.db2.gz PALNTEIYDRAWLT-LLVKDONJSA-N -1 3 413.590 3.493 50 0 HGAAHM O=C([N-]c1cccc(Br)c1)c1nc(-c2cn(-c3ccccc3)nn2)no1 ZINC000065236627 569202504 /nfs/dbraw/zinc/20/25/04/569202504.db2.gz KSWDTCKQUKBYPQ-UHFFFAOYSA-N -1 3 411.219 3.332 50 0 HGAAHM CCc1nc2ccc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)cc2n1CC ZINC000065240683 569203797 /nfs/dbraw/zinc/20/37/97/569203797.db2.gz PQAPZPQCIXEWAY-UHFFFAOYSA-N -1 3 411.487 3.147 50 0 HGAAHM Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)[N-]c3nnc(-c4ccncc4)s3)c12 ZINC000036619226 569210586 /nfs/dbraw/zinc/21/05/86/569210586.db2.gz YAUZPTZNUQMLDC-UHFFFAOYSA-N -1 3 418.442 3.098 50 0 HGAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000002195407 569294569 /nfs/dbraw/zinc/29/45/69/569294569.db2.gz YVAGVPJEVYRFLG-KRWDZBQOSA-N -1 3 411.767 3.285 50 0 HGAAHM CCCOc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000008609127 571093817 /nfs/dbraw/zinc/09/38/17/571093817.db2.gz NVSWUEKLSULQGE-GOSISDBHSA-N -1 3 410.561 3.156 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(c2cccs2)CCOCC1 ZINC000038940147 571097699 /nfs/dbraw/zinc/09/76/99/571097699.db2.gz HWHVXMKCWPNAKN-UHFFFAOYSA-N -1 3 401.937 3.437 50 0 HGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NCc1ccccc1 ZINC000008855949 571128064 /nfs/dbraw/zinc/12/80/64/571128064.db2.gz KKQWQMBPWLARAF-CQSZACIVSA-N -1 3 405.483 3.318 50 0 HGAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NCc1ccccc1 ZINC000008855948 571128117 /nfs/dbraw/zinc/12/81/17/571128117.db2.gz KKQWQMBPWLARAF-AWEZNQCLSA-N -1 3 405.483 3.318 50 0 HGAAHM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 ZINC000008861918 571128565 /nfs/dbraw/zinc/12/85/65/571128565.db2.gz PKQPXAKKMPEKAN-QKLQHJQFSA-N -1 3 422.403 3.484 50 0 HGAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4ccc(F)c(F)c4)s3)nc2n1 ZINC000040050534 571144273 /nfs/dbraw/zinc/14/42/73/571144273.db2.gz MIKWHADOKFLIMM-UHFFFAOYSA-N -1 3 400.414 3.319 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000040117838 571174793 /nfs/dbraw/zinc/17/47/93/571174793.db2.gz IHRXKNTVOYXNLU-QHCPKHFHSA-N -1 3 415.453 3.057 50 0 HGAAHM Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)c([O-])c1 ZINC000040144732 571194716 /nfs/dbraw/zinc/19/47/16/571194716.db2.gz PBEQRAOOLKJMNF-QHCPKHFHSA-N -1 3 407.470 3.418 50 0 HGAAHM CCOC(=O)c1ccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)cc1 ZINC000009053545 571216661 /nfs/dbraw/zinc/21/66/61/571216661.db2.gz MIDDALAXHIAZBB-UHFFFAOYSA-N -1 3 413.426 3.330 50 0 HGAAHM CCN1C(=O)S/C(=C/c2cc(I)c([O-])c(OC)c2)C1=O ZINC000009236565 571240198 /nfs/dbraw/zinc/24/01/98/571240198.db2.gz DAPBMEYWOVYNNE-UXBLZVDNSA-N -1 3 405.213 3.062 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccco1 ZINC000009426723 571257829 /nfs/dbraw/zinc/25/78/29/571257829.db2.gz HNWNMRRWBNDDAE-UHFFFAOYSA-N -1 3 418.446 3.223 50 0 HGAAHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Br)cc3)n2)c1 ZINC000009427209 571257839 /nfs/dbraw/zinc/25/78/39/571257839.db2.gz AGFQXYBININXSQ-UHFFFAOYSA-N -1 3 408.277 3.286 50 0 HGAAHM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccccc2C(F)(F)F)c3=O)cc1 ZINC000010251518 571298181 /nfs/dbraw/zinc/29/81/81/571298181.db2.gz RHCSVMCWMAGMOM-UHFFFAOYSA-N -1 3 413.359 3.293 50 0 HGAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000077196370 571312460 /nfs/dbraw/zinc/31/24/60/571312460.db2.gz KKOOLLYXRXFCHL-UHFFFAOYSA-N -1 3 401.897 3.112 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)cc1C ZINC000005099547 132301140 /nfs/dbraw/zinc/30/11/40/132301140.db2.gz RFUOYPQZXYLBMG-UHFFFAOYSA-N -1 3 400.500 3.494 50 0 HGAAHM Cc1c([O-])ccc2c(C)c(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc12 ZINC000009423806 132339826 /nfs/dbraw/zinc/33/98/26/132339826.db2.gz ALVNJPKMIBBUTQ-UHFFFAOYSA-N -1 3 410.445 3.146 50 0 HGAAHM COCc1nnc([N-]C(=O)c2ccc3c(c2)C(=O)N(C2CCCCCC2)C3=O)s1 ZINC000031811284 523252739 /nfs/dbraw/zinc/25/27/39/523252739.db2.gz SIJRPLGQKKUIEV-UHFFFAOYSA-N -1 3 414.487 3.256 50 0 HGAAHM Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000032865332 524151853 /nfs/dbraw/zinc/15/18/53/524151853.db2.gz HFCXTDIVFCPQGA-MRXNPFEDSA-N -1 3 421.588 3.135 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1I ZINC000002870734 557414968 /nfs/dbraw/zinc/41/49/68/557414968.db2.gz MRHFOWVPRUZUPE-UHFFFAOYSA-N -1 3 407.204 3.240 50 0 HGAAHM O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2[O-])n1CCCO ZINC000004180080 557525668 /nfs/dbraw/zinc/52/56/68/557525668.db2.gz POCPNMLBQFVBKA-RMKNXTFCSA-N -1 3 401.260 3.417 50 0 HGAAHM Cc1cc(C)nc([N-]N=Cc2c(=O)n3cccc(C)c3nc2NCc2ccccc2)n1 ZINC000254808097 557553936 /nfs/dbraw/zinc/55/39/36/557553936.db2.gz BLLLTKDCAKIURD-UHFFFAOYSA-N -1 3 413.485 3.468 50 0 HGAAHM O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1C1CCCCC1 ZINC000005045649 557629248 /nfs/dbraw/zinc/62/92/48/557629248.db2.gz HZDLSYSDWNHYTF-UHFFFAOYSA-N -1 3 420.513 3.440 50 0 HGAAHM Cc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCSCC2)c(F)c1 ZINC000072042729 558437406 /nfs/dbraw/zinc/43/74/06/558437406.db2.gz HGCGZBYIXPJRIK-UHFFFAOYSA-N -1 3 400.522 3.185 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000021872797 558453111 /nfs/dbraw/zinc/45/31/11/558453111.db2.gz ZIFQBTOJBXMVRL-HNNXBMFYSA-N -1 3 420.478 3.386 50 0 HGAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)oc(C)c1C(C)=O ZINC000013134582 558520733 /nfs/dbraw/zinc/52/07/33/558520733.db2.gz NMHNGMBQJYMOBL-MRXNPFEDSA-N -1 3 420.245 3.033 50 0 HGAAHM CCCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000023364167 558552576 /nfs/dbraw/zinc/55/25/76/558552576.db2.gz SDVGRBBXWVFDOL-UHFFFAOYSA-N -1 3 414.940 3.227 50 0 HGAAHM O=C(Nc1ncccc1[O-])c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000032721948 558559997 /nfs/dbraw/zinc/55/99/97/558559997.db2.gz XIOKURGMZIIYBV-UHFFFAOYSA-N -1 3 409.467 3.181 50 0 HGAAHM Cc1cccc(-c2nc3scc(CC[N-]S(=O)(=O)c4ccccc4F)n3n2)c1 ZINC000004479879 558602390 /nfs/dbraw/zinc/60/23/90/558602390.db2.gz NXBQHXXNYKKTKC-UHFFFAOYSA-N -1 3 416.503 3.426 50 0 HGAAHM CSCc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000025043295 558627808 /nfs/dbraw/zinc/62/78/08/558627808.db2.gz LLVOMQDEUWFJPE-UHFFFAOYSA-N -1 3 410.586 3.194 50 0 HGAAHM Cc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000029953412 558724813 /nfs/dbraw/zinc/72/48/13/558724813.db2.gz JWZZCQOCJSLPGS-UHFFFAOYSA-N -1 3 402.451 3.229 50 0 HGAAHM Cc1nc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)nn1-c1ccc(F)cc1 ZINC000015191981 558727586 /nfs/dbraw/zinc/72/75/86/558727586.db2.gz QMSVGWSDTTXXIF-UHFFFAOYSA-N -1 3 408.842 3.024 50 0 HGAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(C)c1 ZINC000020491729 558762268 /nfs/dbraw/zinc/76/22/68/558762268.db2.gz NXVKYTAUWFANCS-UHFFFAOYSA-N -1 3 403.504 3.281 50 0 HGAAHM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000033274720 558764346 /nfs/dbraw/zinc/76/43/46/558764346.db2.gz MFABULDJAZECII-UHFFFAOYSA-N -1 3 416.543 3.289 50 0 HGAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCCOC)CC3)cc2)cc1 ZINC000033274723 558764374 /nfs/dbraw/zinc/76/43/74/558764374.db2.gz LVTSOLAPAMPMKD-UHFFFAOYSA-N -1 3 416.543 3.234 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CC4)CC3)cc2)cc1 ZINC000033274755 558764557 /nfs/dbraw/zinc/76/45/57/558764557.db2.gz UAVZKDVTUSTXCO-UHFFFAOYSA-N -1 3 400.500 3.196 50 0 HGAAHM Cc1nc2cc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)ccc2n1-c1ccccc1 ZINC000017114091 558822927 /nfs/dbraw/zinc/82/29/27/558822927.db2.gz XXODLGIVHVMPHJ-UHFFFAOYSA-N -1 3 417.469 3.233 50 0 HGAAHM O=C(COc1ccc(Br)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000033027844 558851278 /nfs/dbraw/zinc/85/12/78/558851278.db2.gz SPULSCVQQSOICN-DOMZBBRYSA-N -1 3 421.213 3.467 50 0 HGAAHM O=C(C(=C([O-])c1ccc(Br)cc1)n1ccccc1=O)N1CCCCC1 ZINC000004690328 558899729 /nfs/dbraw/zinc/89/97/29/558899729.db2.gz YVGMSFASRYOKQS-KRWDZBQOSA-N -1 3 403.276 3.047 50 0 HGAAHM O=C(c1cc(-c2ccccc2)n[nH]1)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097151808 558997434 /nfs/dbraw/zinc/99/74/34/558997434.db2.gz ZHGOVOMUQWAKNW-UHFFFAOYSA-N -1 3 415.428 3.165 50 0 HGAAHM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000023157752 559022558 /nfs/dbraw/zinc/02/25/58/559022558.db2.gz BAVHPZSLOHTDQI-OAHLLOKOSA-N -1 3 420.922 3.387 50 0 HGAAHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)o1 ZINC000005129988 559249337 /nfs/dbraw/zinc/24/93/37/559249337.db2.gz WBNJIAXFCSKQCF-UHFFFAOYSA-N -1 3 400.391 3.332 50 0 HGAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccc(F)c1 ZINC000248031039 559260084 /nfs/dbraw/zinc/26/00/84/559260084.db2.gz HZENMXNYUKHOBR-DLBZAZTESA-N -1 3 418.412 3.251 50 0 HGAAHM CCOc1cc(Br)c(Br)c(/C=C2/SC(=N)NC2=O)c1[O-] ZINC000004257666 560603573 /nfs/dbraw/zinc/60/35/73/560603573.db2.gz OOXVSCBRKNTCNN-FPYGCLRLSA-N -1 3 422.098 3.455 50 0 HGAAHM Cc1cc(N2CCCCC2)nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000206721692 560735384 /nfs/dbraw/zinc/73/53/84/560735384.db2.gz PXKJGUJUXIHIRD-UHFFFAOYSA-N -1 3 414.453 3.273 50 0 HGAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccccc1Cl ZINC000100870238 560760441 /nfs/dbraw/zinc/76/04/41/560760441.db2.gz IXCRVABIIWBSTA-HIFRSBDPSA-N -1 3 405.635 3.395 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1OC ZINC000101315258 560791600 /nfs/dbraw/zinc/79/16/00/560791600.db2.gz JBSCRCHHRYVXCR-PBHICJAKSA-N -1 3 421.236 3.303 50 0 HGAAHM CCc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(OC)cc3)[n-]c2n1 ZINC000101796436 560801691 /nfs/dbraw/zinc/80/16/91/560801691.db2.gz RWZRLRJANJMQHU-UHFFFAOYSA-N -1 3 404.474 3.213 50 0 HGAAHM Cc1cc(=O)n2nc(NCc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)[n-]c2n1 ZINC000101857900 560803917 /nfs/dbraw/zinc/80/39/17/560803917.db2.gz ITHHFXBRKNTEJR-UHFFFAOYSA-N -1 3 402.458 3.207 50 0 HGAAHM Cc1cccc(C[N-]S(=O)(=O)[C@@H]2CON(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000105049657 560860671 /nfs/dbraw/zinc/86/06/71/560860671.db2.gz UZUJVYCADVRNII-MSOLQXFVSA-N -1 3 414.449 3.420 50 0 HGAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000014871091 560880047 /nfs/dbraw/zinc/88/00/47/560880047.db2.gz NZNVUURCIUCYGZ-KRWDZBQOSA-N -1 3 415.342 3.345 50 0 HGAAHM Cc1nc(COc2ccc(C(=O)OCc3cc(=O)oc4c(C)c([O-])ccc34)cc2)no1 ZINC000012074965 560888614 /nfs/dbraw/zinc/88/86/14/560888614.db2.gz ALJIISAZSYUFOB-UHFFFAOYSA-N -1 3 422.393 3.434 50 0 HGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074572 568427008 /nfs/dbraw/zinc/42/70/08/568427008.db2.gz XFSPXJQZPOHGAJ-CYBMUJFWSA-N -1 3 424.457 3.266 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075344 568427015 /nfs/dbraw/zinc/42/70/15/568427015.db2.gz GBRCLRSNEASLIM-OAHLLOKOSA-N -1 3 424.457 3.266 50 0 HGAAHM Cc1oc(C(=O)[N-]c2nc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCCC1 ZINC000048236088 568432933 /nfs/dbraw/zinc/43/29/33/568432933.db2.gz ZRULAYBHOVADEW-UHFFFAOYSA-N -1 3 409.533 3.350 50 0 HGAAHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000048325827 568438821 /nfs/dbraw/zinc/43/88/21/568438821.db2.gz UBEKMPHFQSERIO-CYBMUJFWSA-N -1 3 419.396 3.155 50 0 HGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000012270609 568457140 /nfs/dbraw/zinc/45/71/40/568457140.db2.gz JSIZXSXNHUOHSM-HXUWFJFHSA-N -1 3 405.479 3.047 50 0 HGAAHM COc1ccccc1NC(=O)C(=O)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000020059991 568586947 /nfs/dbraw/zinc/58/69/47/568586947.db2.gz INDVDENVCSNEFZ-SFHVURJKSA-N -1 3 413.396 3.053 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(Cl)cc1 ZINC000020154288 568590883 /nfs/dbraw/zinc/59/08/83/568590883.db2.gz UXEOAHVSTMQGJI-CQSZACIVSA-N -1 3 418.993 3.118 50 0 HGAAHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)c1 ZINC000095466402 568624404 /nfs/dbraw/zinc/62/44/04/568624404.db2.gz LFYRLDXTGMXITO-UHFFFAOYSA-N -1 3 405.863 3.172 50 0 HGAAHM O=C(Nc1ccccc1[O-])[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095473057 568628380 /nfs/dbraw/zinc/62/83/80/568628380.db2.gz IIWBIVOWECJHEK-SNVBAGLBSA-N -1 3 415.247 3.023 50 0 HGAAHM COC(=O)C[C@@H](c1ccnn1C)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000095479241 568632112 /nfs/dbraw/zinc/63/21/12/568632112.db2.gz PMYDBSKIRNLIDM-HNNXBMFYSA-N -1 3 418.446 3.205 50 0 HGAAHM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1c[nH]c2ccccc12 ZINC000012389185 568686847 /nfs/dbraw/zinc/68/68/47/568686847.db2.gz WTNIFRDZIWTZPW-UHFFFAOYSA-N -1 3 412.298 3.183 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NCC3CCCCC3)sc2c1 ZINC000096399502 568748047 /nfs/dbraw/zinc/74/80/47/568748047.db2.gz RZXGDJDSMVCHIJ-UHFFFAOYSA-N -1 3 413.590 3.456 50 0 HGAAHM CC[C@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1 ZINC000006005692 568834950 /nfs/dbraw/zinc/83/49/50/568834950.db2.gz NNSRIMAMMOPXSX-AWEZNQCLSA-N -1 3 415.494 3.131 50 0 HGAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000003103637 568855516 /nfs/dbraw/zinc/85/55/16/568855516.db2.gz FCUZSCLKVKLHLP-GOSISDBHSA-N -1 3 414.355 3.498 50 0 HGAAHM COCCNc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000012614114 568871914 /nfs/dbraw/zinc/87/19/14/568871914.db2.gz BMMHPAGWKWOYKG-UHFFFAOYSA-N -1 3 421.529 3.447 50 0 HGAAHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Br)N(C)C)cc1 ZINC000057995206 568873347 /nfs/dbraw/zinc/87/33/47/568873347.db2.gz WUFIFEMGMZWQEJ-INIZCTEOSA-N -1 3 415.328 3.478 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000003334066 568882489 /nfs/dbraw/zinc/88/24/89/568882489.db2.gz KLNVVBSXKMPMQB-RHSMWYFYSA-N -1 3 410.536 3.103 50 0 HGAAHM COc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000003357922 568887153 /nfs/dbraw/zinc/88/71/53/568887153.db2.gz NJHMZRVHYMOZDH-LLVKDONJSA-N -1 3 402.394 3.020 50 0 HGAAHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012781304 568957940 /nfs/dbraw/zinc/95/79/40/568957940.db2.gz RBJGECPNYVGIHS-INIZCTEOSA-N -1 3 413.493 3.401 50 0 HGAAHM Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000012820225 568992018 /nfs/dbraw/zinc/99/20/18/568992018.db2.gz URZRHWSBMFKLSN-UHFFFAOYSA-N -1 3 418.496 3.018 50 0 HGAAHM CC[C@H]1CCCCN1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795870 569019016 /nfs/dbraw/zinc/01/90/16/569019016.db2.gz DZJNVTZDDAFDKE-KRWDZBQOSA-N -1 3 400.914 3.448 50 0 HGAAHM C[C@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012895752 569020271 /nfs/dbraw/zinc/02/02/71/569020271.db2.gz JUNDECZWZKCJKK-AWEZNQCLSA-N -1 3 408.454 3.214 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccnc3)c2)cc1 ZINC000015940667 569024127 /nfs/dbraw/zinc/02/41/27/569024127.db2.gz DAECKYHNZRZVOG-UHFFFAOYSA-N -1 3 411.483 3.129 50 0 HGAAHM O=S(=O)([N-]CC[C@@H](CCO)c1ccsc1)c1ccc(Br)s1 ZINC000575608289 569032210 /nfs/dbraw/zinc/03/22/10/569032210.db2.gz SBCGIOYKYQCLIO-JTQLQIEISA-N -1 3 410.380 3.407 50 0 HGAAHM CNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1N1CCCC1 ZINC000006553233 569065542 /nfs/dbraw/zinc/06/55/42/569065542.db2.gz FYJYNTGYXKPVLL-UHFFFAOYSA-N -1 3 420.560 3.012 50 0 HGAAHM COc1ccc2c(c1)n(C)c(C(=O)[O-])c2CNCc1cc(OC)c(OC)c(OC)c1 ZINC000006795042 569125705 /nfs/dbraw/zinc/12/57/05/569125705.db2.gz YSBPSQMYTUAWSY-UHFFFAOYSA-N -1 3 414.458 3.201 50 0 HGAAHM CC(C)c1cc([N-]C(=O)COC(=O)c2ccccc2CSc2nc[nH]n2)on1 ZINC000006887909 569171444 /nfs/dbraw/zinc/17/14/44/569171444.db2.gz JBNLURLOIZESJP-UHFFFAOYSA-N -1 3 401.448 3.004 50 0 HGAAHM Cc1nnc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000006985269 569195740 /nfs/dbraw/zinc/19/57/40/569195740.db2.gz MSYKPVLWYIORIC-ZDUSSCGKSA-N -1 3 416.528 3.311 50 0 HGAAHM COc1ccc(C)cc1[N-]C(=O)c1nc(-c2cn(Cc3ccc(C)cc3)nn2)no1 ZINC000065236807 569202711 /nfs/dbraw/zinc/20/27/11/569202711.db2.gz MWQPHHVEJIWCRM-UHFFFAOYSA-N -1 3 404.430 3.254 50 0 HGAAHM CCN(CC)C(=O)c1nc(C[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)oc1C ZINC000065293907 569218571 /nfs/dbraw/zinc/21/85/71/569218571.db2.gz IEFVRNYIULLUQV-UHFFFAOYSA-N -1 3 407.536 3.177 50 0 HGAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)on1 ZINC000014146083 569258737 /nfs/dbraw/zinc/25/87/37/569258737.db2.gz ULWFLSAPLJDIDT-ZANVPECISA-N -1 3 409.851 3.010 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000007718846 569301839 /nfs/dbraw/zinc/30/18/39/569301839.db2.gz ZPCFTCBBQUUDFI-UHFFFAOYSA-N -1 3 401.850 3.238 50 0 HGAAHM Cc1c([N-]S(=O)(=O)c2ccc(-c3ccon3)s2)c(=O)n(-c2ccccc2)n1C ZINC000001033279 569356646 /nfs/dbraw/zinc/35/66/46/569356646.db2.gz TZPQZRXDCYGCFU-UHFFFAOYSA-N -1 3 416.484 3.002 50 0 HGAAHM CCCN1CCc2nc(SCC(=O)Nc3cccc(SC)c3)[n-]c(=O)c2C1 ZINC000067291794 571068100 /nfs/dbraw/zinc/06/81/00/571068100.db2.gz NIVILRKPWTYQNA-UHFFFAOYSA-N -1 3 404.561 3.403 50 0 HGAAHM CCCN1CCc2nc(SCC(=O)NCc3ccc(Cl)cc3)[n-]c(=O)c2C1 ZINC000067291833 571068119 /nfs/dbraw/zinc/06/81/19/571068119.db2.gz DRWNESAXYNMWNO-UHFFFAOYSA-N -1 3 406.939 3.012 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000040081844 571156280 /nfs/dbraw/zinc/15/62/80/571156280.db2.gz FVDUREGHNUPYOT-HXUWFJFHSA-N -1 3 424.526 3.110 50 0 HGAAHM C[C@]1(c2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)NC(=O)[N-]C1=O ZINC000040110847 571168988 /nfs/dbraw/zinc/16/89/88/571168988.db2.gz XBONTYCPOGSCIG-HXUWFJFHSA-N -1 3 413.524 3.472 50 0 HGAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C ZINC000009165791 571232557 /nfs/dbraw/zinc/23/25/57/571232557.db2.gz QYLQTZDRCYXACQ-UHFFFAOYSA-N -1 3 418.515 3.494 50 0 HGAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009453817 571260119 /nfs/dbraw/zinc/26/01/19/571260119.db2.gz XIMDBXFPDNSIDP-OAHLLOKOSA-N -1 3 410.865 3.011 50 0 HGAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009453817 571260120 /nfs/dbraw/zinc/26/01/20/571260120.db2.gz XIMDBXFPDNSIDP-OAHLLOKOSA-N -1 3 410.865 3.011 50 0 HGAAHM CC[C@H](C)c1ccc(NC(=O)COC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000009812423 571286032 /nfs/dbraw/zinc/28/60/32/571286032.db2.gz NBEDSEDJXUXXHY-AWEZNQCLSA-N -1 3 424.544 3.112 50 0 HGAAHM COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020539037 522384033 /nfs/dbraw/zinc/38/40/33/522384033.db2.gz GMVOZDVFWRWNLB-SFHVURJKSA-N -1 3 408.901 3.262 50 0 HGAAHM O=C(Nc1ccccc1Cc1ccccc1)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000032908262 527414932 /nfs/dbraw/zinc/41/49/32/527414932.db2.gz GQQZKOSLBWIESL-UHFFFAOYSA-N -1 3 412.449 3.263 50 0 HGAAHM CC(C)c1ccc(OCC(=O)[N-]N2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000002861029 557410040 /nfs/dbraw/zinc/41/00/40/557410040.db2.gz WPIDFTXHPXSYQP-UHFFFAOYSA-N -1 3 417.259 3.279 50 0 HGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000004978309 557619928 /nfs/dbraw/zinc/61/99/28/557619928.db2.gz BNCUPRGDRLAGNZ-UHFFFAOYSA-N -1 3 414.277 3.192 50 0 HGAAHM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000010566939 557681317 /nfs/dbraw/zinc/68/13/17/557681317.db2.gz VKPNGMIIPSTJIM-UHFFFAOYSA-N -1 3 422.459 3.340 50 0 HGAAHM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000022688606 557779599 /nfs/dbraw/zinc/77/95/99/557779599.db2.gz PWJZLWHPBGXBDY-UHFFFAOYSA-N -1 3 424.906 3.075 50 0 HGAAHM COc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@@H]2CCO)c(F)c1 ZINC000020201922 558346132 /nfs/dbraw/zinc/34/61/32/558346132.db2.gz LMPKJMQMMGFAFN-KRWDZBQOSA-N -1 3 408.901 3.262 50 0 HGAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000012987589 558495875 /nfs/dbraw/zinc/49/58/75/558495875.db2.gz YHDNTUGHODBIOV-FQEVSTJZSA-N -1 3 424.497 3.441 50 0 HGAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012993018 558497062 /nfs/dbraw/zinc/49/70/62/558497062.db2.gz GUOYNZUNKPULIU-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM Cc1cc(CN2CCN(Cc3nc(=O)c4cc(-c5ccccc5)sc4[n-]3)CC2)no1 ZINC000022774393 558509145 /nfs/dbraw/zinc/50/91/45/558509145.db2.gz COWMINIFAVOMJZ-UHFFFAOYSA-N -1 3 421.526 3.266 50 0 HGAAHM CCOC(=O)c1ccc(OC[C@H](O)CSc2n[n-]c(-c3cccs3)n2)cc1 ZINC000022954984 558527695 /nfs/dbraw/zinc/52/76/95/558527695.db2.gz LLCSKEGCNFXFJU-ZDUSSCGKSA-N -1 3 405.501 3.242 50 0 HGAAHM CC(C)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCCCC1 ZINC000023524571 558560698 /nfs/dbraw/zinc/56/06/98/558560698.db2.gz LQTCESDAGZKRKD-UHFFFAOYSA-N -1 3 415.559 3.482 50 0 HGAAHM COc1ccc([C@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)c(OC)c1 ZINC000004459147 558590408 /nfs/dbraw/zinc/59/04/08/558590408.db2.gz RZXXSTGBGXHIRN-IBGZPJMESA-N -1 3 401.422 3.471 50 0 HGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C(C)C)nc21 ZINC000024442482 558597519 /nfs/dbraw/zinc/59/75/19/558597519.db2.gz MCPMSNCBUNEJJS-OAHLLOKOSA-N -1 3 420.513 3.456 50 0 HGAAHM Cc1c([O-])ccc2c(CSc3n[nH]c(=O)n3CCc3ccccc3)cc(=O)oc12 ZINC000024456546 558598089 /nfs/dbraw/zinc/59/80/89/558598089.db2.gz DICJLUMSKKWGNE-UHFFFAOYSA-N -1 3 409.467 3.227 50 0 HGAAHM Cc1cc(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000014201044 558636617 /nfs/dbraw/zinc/63/66/17/558636617.db2.gz HYPOGXFUMXRBGI-GFCCVEGCSA-N -1 3 418.412 3.136 50 0 HGAAHM CC(C)(C)c1csc(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000025447221 558641385 /nfs/dbraw/zinc/64/13/85/558641385.db2.gz ZFLNPRJYDJGHHI-UHFFFAOYSA-N -1 3 403.476 3.026 50 0 HGAAHM CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000004547065 558672217 /nfs/dbraw/zinc/67/22/17/558672217.db2.gz PGAQKYSMSABSCM-UHFFFAOYSA-N -1 3 404.488 3.386 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)c2)cc1 ZINC000027913270 558684567 /nfs/dbraw/zinc/68/45/67/558684567.db2.gz RQZJFQZEZJOUIN-OXJNMPFZSA-N -1 3 402.516 3.402 50 0 HGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000029766850 558720551 /nfs/dbraw/zinc/72/05/51/558720551.db2.gz DZTGFHONPVFKFO-UHFFFAOYSA-N -1 3 423.860 3.029 50 0 HGAAHM O=C(NCc1csc(-c2ccccc2)n1)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000029973031 558725131 /nfs/dbraw/zinc/72/51/31/558725131.db2.gz HCVPYTXOHRIWJH-UHFFFAOYSA-N -1 3 419.553 3.242 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2cc(-n3nnnc3C3CC3)ccc2F)cc1Cl ZINC000072301172 558750796 /nfs/dbraw/zinc/75/07/96/558750796.db2.gz CCJGMJFDOOKEFF-UHFFFAOYSA-N -1 3 423.857 3.142 50 0 HGAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c(OC)c1 ZINC000016007635 558766303 /nfs/dbraw/zinc/76/63/03/558766303.db2.gz BLVGVUYRANKNAF-RDJZCZTQSA-N -1 3 421.236 3.303 50 0 HGAAHM CCOC(=O)c1sc2[n-]c([C@H](C)NCc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000034866247 558785954 /nfs/dbraw/zinc/78/59/54/558785954.db2.gz NNHRUDJXYMAGOO-NSHDSACASA-N -1 3 415.471 3.049 50 0 HGAAHM CCCc1nnc([N-]C(=O)c2cccc(C(=O)Nc3nnc(CCC)s3)n2)s1 ZINC000017028586 558812383 /nfs/dbraw/zinc/81/23/83/558812383.db2.gz TVYPIHZVNKJFEA-UHFFFAOYSA-N -1 3 417.520 3.194 50 0 HGAAHM O=C(COc1ccc(Br)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000033027848 558851322 /nfs/dbraw/zinc/85/13/22/558851322.db2.gz SPULSCVQQSOICN-WFASDCNBSA-N -1 3 421.213 3.467 50 0 HGAAHM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000033048500 558886044 /nfs/dbraw/zinc/88/60/44/558886044.db2.gz CGBUHWJSPDOBJZ-UHFFFAOYSA-N -1 3 418.254 3.367 50 0 HGAAHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3nccc3C)c2)cc1C ZINC000057990966 558892607 /nfs/dbraw/zinc/89/26/07/558892607.db2.gz GKRURZRMNGDGES-UHFFFAOYSA-N -1 3 401.488 3.315 50 0 HGAAHM O=C(Cc1c[nH]c2ccccc12)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097139238 558996770 /nfs/dbraw/zinc/99/67/70/558996770.db2.gz BOTLJGXZKIBCEX-UHFFFAOYSA-N -1 3 402.429 3.185 50 0 HGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2)CC1 ZINC000023156770 559022728 /nfs/dbraw/zinc/02/27/28/559022728.db2.gz SFEOWDFNRFURBR-INIZCTEOSA-N -1 3 400.504 3.169 50 0 HGAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(Cc3cccs3)o2)cc1 ZINC000011694627 559188364 /nfs/dbraw/zinc/18/83/64/559188364.db2.gz NOPNRQYIKBKBLR-UHFFFAOYSA-N -1 3 420.516 3.005 50 0 HGAAHM Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011720063 559255163 /nfs/dbraw/zinc/25/51/63/559255163.db2.gz PWOJIMISVLUGQM-MRXNPFEDSA-N -1 3 421.588 3.135 50 0 HGAAHM Cc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nc3c2nc[n-]c3=O)cc1 ZINC000012462107 560211983 /nfs/dbraw/zinc/21/19/83/560211983.db2.gz DPFIIOZOQMDUIS-UHFFFAOYSA-N -1 3 405.483 3.172 50 0 biogenic,in-vitro HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1Br ZINC000004872605 560736907 /nfs/dbraw/zinc/73/69/07/560736907.db2.gz CCIRVFLETOLSAX-UHFFFAOYSA-N -1 3 400.250 3.030 50 0 HGAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c(OC)c1 ZINC000101358732 560792468 /nfs/dbraw/zinc/79/24/68/560792468.db2.gz BLVGVUYRANKNAF-NVXWUHKLSA-N -1 3 421.236 3.303 50 0 HGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102762413 560826386 /nfs/dbraw/zinc/82/63/86/560826386.db2.gz GGMRDPNNDBIXGV-NJDAHSKKSA-N -1 3 414.417 3.436 50 0 HGAAHM C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)C1 ZINC000103587712 560843611 /nfs/dbraw/zinc/84/36/11/560843611.db2.gz AAXBSSVTJANDHI-JZXOWHBKSA-N -1 3 406.573 3.142 50 0 HGAAHM Cc1cccn2c(=O)cc(CSc3nnc([N-]C(=O)c4cccs4)s3)nc12 ZINC000046031534 568424536 /nfs/dbraw/zinc/42/45/36/568424536.db2.gz CTNJHSGBXHWJED-UHFFFAOYSA-N -1 3 415.525 3.461 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)cc1F)CC(=O)N2 ZINC000046074279 568426759 /nfs/dbraw/zinc/42/67/59/568426759.db2.gz XFIFDSMLOXHTHQ-SNVBAGLBSA-N -1 3 408.430 3.005 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075237 568426982 /nfs/dbraw/zinc/42/69/82/568426982.db2.gz XSVYGTAGCMWZOI-CQSZACIVSA-N -1 3 424.457 3.266 50 0 HGAAHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000048325826 568438877 /nfs/dbraw/zinc/43/88/77/568438877.db2.gz UBEKMPHFQSERIO-ZDUSSCGKSA-N -1 3 419.396 3.155 50 0 HGAAHM Cc1ccc(SCCNC(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)cc1 ZINC000007979690 568487779 /nfs/dbraw/zinc/48/77/79/568487779.db2.gz XCSDNLUODRLAIN-IBGZPJMESA-N -1 3 424.563 3.346 50 0 HGAAHM CN(CCC[N-]S(=O)(=O)c1csc(-c2ccc(F)cc2)n1)CC(F)(F)F ZINC000095402538 568605396 /nfs/dbraw/zinc/60/53/96/568605396.db2.gz QJXCJEXIOIULJX-UHFFFAOYSA-N -1 3 411.446 3.112 50 0 HGAAHM O=S(=O)(CC[C@H]1CCCO1)[N-]C1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000095449627 568613834 /nfs/dbraw/zinc/61/38/34/568613834.db2.gz TYNNFMYBZUDUDO-OAHLLOKOSA-N -1 3 411.549 3.446 50 0 HGAAHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)s1 ZINC000095457529 568618285 /nfs/dbraw/zinc/61/82/85/568618285.db2.gz DWNYRJPLDAMWTF-KRWDZBQOSA-N -1 3 406.573 3.419 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OC(=O)c3ccc(F)cc3)c2)S1 ZINC000020896578 568649044 /nfs/dbraw/zinc/64/90/44/568649044.db2.gz PZDSSPIYYZXKGP-QGZVFWFLSA-N -1 3 401.419 3.046 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3ccccc3C)c2)S1 ZINC000020896479 568649199 /nfs/dbraw/zinc/64/91/99/568649199.db2.gz CPKCSICBYKJFBQ-HXUWFJFHSA-N -1 3 413.499 3.454 50 0 HGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc1OC ZINC000096116698 568696200 /nfs/dbraw/zinc/69/62/00/568696200.db2.gz YSUKAXRDIXLYJY-QGZVFWFLSA-N -1 3 421.544 3.449 50 0 HGAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1O ZINC000096232202 568708069 /nfs/dbraw/zinc/70/80/69/568708069.db2.gz CLHUUXOTLYYHHH-SJCJKPOMSA-N -1 3 419.503 3.208 50 0 HGAAHM CCOc1cc(C(=O)[N-]c2nnc(-c3cc(C)n(C)n3)o2)cc(OCC)c1OCC ZINC000012443065 568725125 /nfs/dbraw/zinc/72/51/25/568725125.db2.gz YMQHOXBABLJHQL-UHFFFAOYSA-N -1 3 415.450 3.227 50 0 HGAAHM O=C(c1ccc(Cl)s1)N1C[C@@H]2C[C@H]1C[C@@H]2[N-]S(=O)(=O)c1cccs1 ZINC000097077208 568767316 /nfs/dbraw/zinc/76/73/16/568767316.db2.gz CFSHGKPRVQOIMQ-DCAQKATOSA-N -1 3 402.950 3.045 50 0 HGAAHM O=C(NCc1cccc2ccccc21)N[C@@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225637983 568777969 /nfs/dbraw/zinc/77/79/69/568777969.db2.gz UTKYTORFYKUBEK-FQEVSTJZSA-N -1 3 403.438 3.359 50 0 HGAAHM Cc1cc(=NC(=O)C2=CC(c3ccc(Cl)cc3)N=N2)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159237 568863211 /nfs/dbraw/zinc/86/32/11/568863211.db2.gz WADXVFHNDRWPKD-MKBLKBGPSA-N -1 3 419.894 3.272 50 0 HGAAHM CCOC(=O)c1[n-]c(COC(=O)c2cc(OC)cc(OC)c2)c(C(=O)OCC)c1C ZINC000003311726 568878501 /nfs/dbraw/zinc/87/85/01/568878501.db2.gz VLIHJUMQYLDMRE-UHFFFAOYSA-N -1 3 419.430 3.051 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000003334064 568882436 /nfs/dbraw/zinc/88/24/36/568882436.db2.gz KLNVVBSXKMPMQB-WMLDXEAASA-N -1 3 410.536 3.103 50 0 HGAAHM COc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000003357921 568887230 /nfs/dbraw/zinc/88/72/30/568887230.db2.gz NJHMZRVHYMOZDH-NSHDSACASA-N -1 3 402.394 3.020 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075781 568928384 /nfs/dbraw/zinc/92/83/84/568928384.db2.gz GOQSIYPUSPFKNN-SNVBAGLBSA-N -1 3 408.430 3.005 50 0 HGAAHM COc1cc(CN2C(=O)N(C(C)C)[C@H](N([O-])C(=O)NC(C)C)C2(C)C)cc(OC)c1 ZINC000003985293 568931148 /nfs/dbraw/zinc/93/11/48/568931148.db2.gz OWIQHGURPOGCAH-GOSISDBHSA-N -1 3 422.526 3.264 50 0 biogenic HGAAHM O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000007977226 568963103 /nfs/dbraw/zinc/96/31/03/568963103.db2.gz IPZKTRHVWATSHS-FQEVSTJZSA-N -1 3 412.486 3.032 50 0 HGAAHM O=c1nc(CSc2nnnn2C2CC2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000008307771 568988556 /nfs/dbraw/zinc/98/85/56/568988556.db2.gz FHHQAWXWMQFDII-UHFFFAOYSA-N -1 3 400.464 3.404 50 0 HGAAHM O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000038486344 568996991 /nfs/dbraw/zinc/99/69/91/568996991.db2.gz JFIWMXILGRLWEZ-UHFFFAOYSA-N -1 3 416.441 3.216 50 0 HGAAHM O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000038486344 568996992 /nfs/dbraw/zinc/99/69/92/568996992.db2.gz JFIWMXILGRLWEZ-UHFFFAOYSA-N -1 3 416.441 3.216 50 0 HGAAHM COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3ccc([O-])c(C)c3oc1=O)CC2 ZINC000012898750 569020476 /nfs/dbraw/zinc/02/04/76/569020476.db2.gz SZUPVXZXHNCKQV-UHFFFAOYSA-N -1 3 423.465 3.260 50 0 biogenic HGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3ccc4nncn4n3)ccc2C)cc1 ZINC000035511184 569043022 /nfs/dbraw/zinc/04/30/22/569043022.db2.gz JMIOEJOMYZGJPQ-UHFFFAOYSA-N -1 3 409.471 3.299 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]CCc2csc(-n3cccn3)n2)c(Cl)cc1Cl ZINC000090703651 569048295 /nfs/dbraw/zinc/04/82/95/569048295.db2.gz WZRHUMGIVJBWJM-UHFFFAOYSA-N -1 3 417.343 3.465 50 0 HGAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c1 ZINC000245309149 569055732 /nfs/dbraw/zinc/05/57/32/569055732.db2.gz BQIMYQISQAQYDN-YPAWHYETSA-N -1 3 416.433 3.452 50 0 HGAAHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Br)OCCO3)c1 ZINC000006589479 569068093 /nfs/dbraw/zinc/06/80/93/569068093.db2.gz GMHWCSWRHXXMSC-UHFFFAOYSA-N -1 3 412.261 3.224 50 0 HGAAHM COc1ccc(OC)c(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c1 ZINC000006623970 569075372 /nfs/dbraw/zinc/07/53/72/569075372.db2.gz KAHHOXLFXCIORE-UHFFFAOYSA-N -1 3 401.415 3.171 50 0 biogenic HGAAHM Cc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccc(C)c(C)c3)s2)cc1 ZINC000064991593 569149070 /nfs/dbraw/zinc/14/90/70/569149070.db2.gz XYUWXYIAXFKJJG-UHFFFAOYSA-N -1 3 416.528 3.194 50 0 HGAAHM Cc1ccc(C)c(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)c1 ZINC000064991762 569149224 /nfs/dbraw/zinc/14/92/24/569149224.db2.gz TYBRJWNMHCHRDK-UHFFFAOYSA-N -1 3 420.491 3.025 50 0 HGAAHM O=C(c1ccccc1)N1CCC(CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000065007526 569153075 /nfs/dbraw/zinc/15/30/75/569153075.db2.gz DGCPONQQVCBMJC-UHFFFAOYSA-N -1 3 408.470 3.186 50 0 HGAAHM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2CNCc1cc(OC)c(OC)c(OC)c1 ZINC000006894409 569175709 /nfs/dbraw/zinc/17/57/09/569175709.db2.gz ONAPLHCBXOSDEG-UHFFFAOYSA-N -1 3 400.431 3.190 50 0 HGAAHM Cc1c(Br)cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(=O)n1C ZINC000170610678 569245341 /nfs/dbraw/zinc/24/53/41/569245341.db2.gz RWZYBIDZOAERCI-UHFFFAOYSA-N -1 3 406.305 3.300 50 0 HGAAHM CO[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2[O-])N(C(=O)OC(C)(C)C)C1 ZINC000170611279 569245701 /nfs/dbraw/zinc/24/57/01/569245701.db2.gz ASVLKEHCBCMUDP-WCQYABFASA-N -1 3 415.284 3.118 50 0 HGAAHM O=S(=O)([N-]CCc1csc2nc(-c3cccc(F)c3)nn12)c1ccccc1F ZINC000016837580 569263400 /nfs/dbraw/zinc/26/34/00/569263400.db2.gz DOJACRRIOQXUGT-UHFFFAOYSA-N -1 3 420.466 3.257 50 0 HGAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000089793278 569265293 /nfs/dbraw/zinc/26/52/93/569265293.db2.gz DABJFHMGMGCLFQ-UHFFFAOYSA-N -1 3 418.862 3.497 50 0 HGAAHM O=c1[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1cccc2ccccc21 ZINC000016972176 569269653 /nfs/dbraw/zinc/26/96/53/569269653.db2.gz FDQKEPIVTIKFEE-JOCHJYFZSA-N -1 3 424.460 3.101 50 0 biogenic HGAAHM O=c1[nH]c(=O)n(-c2cccc3ccccc32)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000016972176 569269654 /nfs/dbraw/zinc/26/96/54/569269654.db2.gz FDQKEPIVTIKFEE-JOCHJYFZSA-N -1 3 424.460 3.101 50 0 biogenic HGAAHM CCN(CC)CCOC(=O)c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000253428776 569368623 /nfs/dbraw/zinc/36/86/23/569368623.db2.gz OFKQJGVGLHAOJM-UHFFFAOYSA-N -1 3 411.911 3.034 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccc(OC)c1 ZINC000079112558 569428225 /nfs/dbraw/zinc/42/82/25/569428225.db2.gz ZBJVPSUXLSVCPL-LJQANCHMSA-N -1 3 401.488 3.154 50 0 HGAAHM COc1ccc(NC(C)=O)cc1NC(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008528280 571074819 /nfs/dbraw/zinc/07/48/19/571074819.db2.gz WHGWBHHMEISTKJ-UHFFFAOYSA-N -1 3 403.489 3.231 50 0 HGAAHM COc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4cccs4)n3n2)cc1 ZINC000008601424 571090293 /nfs/dbraw/zinc/09/02/93/571090293.db2.gz OBGXLZLPBVRNIW-UHFFFAOYSA-N -1 3 420.541 3.049 50 0 HGAAHM CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(Cl)cc3s2)n1 ZINC000008868072 571129621 /nfs/dbraw/zinc/12/96/21/571129621.db2.gz MNXCVKYEBDZAEW-UHFFFAOYSA-N -1 3 417.299 3.439 50 0 HGAAHM CCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)cnc21 ZINC000040050981 571144902 /nfs/dbraw/zinc/14/49/02/571144902.db2.gz WSMURSAYHUSUCD-UHFFFAOYSA-N -1 3 421.482 3.097 50 0 HGAAHM Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040111173 571169533 /nfs/dbraw/zinc/16/95/33/571169533.db2.gz QTVKQPZZOKNOOB-IBGZPJMESA-N -1 3 412.496 3.487 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CCOCC1 ZINC000040155818 571203038 /nfs/dbraw/zinc/20/30/38/571203038.db2.gz DKYWQGSHHVKMSO-UHFFFAOYSA-N -1 3 415.309 3.038 50 0 HGAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000009013703 571211229 /nfs/dbraw/zinc/21/12/29/571211229.db2.gz QHPNDLQTNIVCOM-KRWDZBQOSA-N -1 3 411.767 3.285 50 0 HGAAHM CCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202127 571236381 /nfs/dbraw/zinc/23/63/81/571236381.db2.gz CORZTJJAVRYRNX-UHFFFAOYSA-N -1 3 412.469 3.011 50 0 HGAAHM COc1cc(Br)c(Br)c(C=C2SC(=O)[N-]C2=O)c1O ZINC000009296547 571245884 /nfs/dbraw/zinc/24/58/84/571245884.db2.gz MFYWJKJWWXYZHX-FARCUNLSSA-N -1 3 409.055 3.250 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000009356015 571251071 /nfs/dbraw/zinc/25/10/71/571251071.db2.gz OJHRAFOOVMOQKL-UHFFFAOYSA-N -1 3 415.515 3.327 50 0 HGAAHM CC(C)Oc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000009528479 571266220 /nfs/dbraw/zinc/26/62/20/571266220.db2.gz FAYURCXGDGIRMW-SFHVURJKSA-N -1 3 410.561 3.155 50 0 HGAAHM CCOC(=O)C[C@@H](c1ccc(-c2ccc(F)cc2)o1)c1oc(CO)cc(=O)c1[O-] ZINC000071280075 571290507 /nfs/dbraw/zinc/29/05/07/571290507.db2.gz VYNDOMGFCXDQFU-HNNXBMFYSA-N -1 3 402.374 3.322 50 0 HGAAHM CCc1ccc([C@@H](NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c2cccs2)cc1 ZINC000010447492 571302999 /nfs/dbraw/zinc/30/29/99/571302999.db2.gz CZVICXGPJLLQBE-OAQYLSRUSA-N -1 3 419.506 3.220 50 0 HGAAHM CCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1 ZINC000032096719 521690289 /nfs/dbraw/zinc/69/02/89/521690289.db2.gz LZFOXNCSDTZOCU-OAQYLSRUSA-N -1 3 406.486 3.183 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000032808829 522451908 /nfs/dbraw/zinc/45/19/08/522451908.db2.gz YHKXIBUISVDDNF-LLVKDONJSA-N -1 3 423.491 3.207 50 0 HGAAHM COCc1nnc([N-]C(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)s1 ZINC000040267463 523253083 /nfs/dbraw/zinc/25/30/83/523253083.db2.gz NNMLCHHEFMPKIK-UHFFFAOYSA-N -1 3 406.489 3.386 50 0 HGAAHM COc1cccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1[O-] ZINC000032904423 525799116 /nfs/dbraw/zinc/79/91/16/525799116.db2.gz WETVKMUTFAIHIM-LBPRGKRZSA-N -1 3 420.391 3.482 50 0 HGAAHM O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1cc(Cl)ccc1[O-] ZINC000032095375 526425953 /nfs/dbraw/zinc/42/59/53/526425953.db2.gz KPBXEOFFMCQTEZ-UHFFFAOYSA-N -1 3 401.850 3.248 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000032837296 526513460 /nfs/dbraw/zinc/51/34/60/526513460.db2.gz MYZZTPLYQVZNRK-ZDUSSCGKSA-N -1 3 416.977 3.423 50 0 HGAAHM COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022626317 557084574 /nfs/dbraw/zinc/08/45/74/557084574.db2.gz VKPOWOAGBOMZKK-MRXNPFEDSA-N -1 3 400.504 3.088 50 0 HGAAHM CCCN1C(=O)S/C(=C\c2cc(I)c([O-])c(OC)c2)C1=O ZINC000001012622 557142181 /nfs/dbraw/zinc/14/21/81/557142181.db2.gz RITDCQUKCNOGSE-XFFZJAGNSA-N -1 3 419.240 3.452 50 0 HGAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2)C1=O)c1ccccc1Cl ZINC000002373584 557341603 /nfs/dbraw/zinc/34/16/03/557341603.db2.gz GDTXFAZMKHXJPY-KRWDZBQOSA-N -1 3 411.767 3.285 50 0 HGAAHM CCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002473571 557351137 /nfs/dbraw/zinc/35/11/37/557351137.db2.gz CRVXJNRGJNAFOM-AWEZNQCLSA-N -1 3 413.268 3.087 50 0 HGAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C ZINC000002858160 557408444 /nfs/dbraw/zinc/40/84/44/557408444.db2.gz CYMCFSSWRHXUMJ-UHFFFAOYSA-N -1 3 414.277 3.110 50 0 HGAAHM C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000004742380 557591180 /nfs/dbraw/zinc/59/11/80/557591180.db2.gz XYFGEOOBCCXIQP-INIZCTEOSA-N -1 3 408.545 3.049 50 0 HGAAHM COc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)C(C)C ZINC000008774879 557807123 /nfs/dbraw/zinc/80/71/23/557807123.db2.gz BVXORKOEHOGJNG-IBGZPJMESA-N -1 3 415.515 3.400 50 0 HGAAHM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)C1 ZINC000022853401 557840239 /nfs/dbraw/zinc/84/02/39/557840239.db2.gz QUXMOPZEVORLNA-RDJZCZTQSA-N -1 3 414.531 3.423 50 0 HGAAHM COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(Br)ccc3[O-])C2)c1 ZINC000009856700 557850531 /nfs/dbraw/zinc/85/05/31/557850531.db2.gz OBHJXFZIPRCFAJ-QGZVFWFLSA-N -1 3 421.247 3.304 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)c2cccnc2)c(C)c1 ZINC000019819324 558289746 /nfs/dbraw/zinc/28/97/46/558289746.db2.gz IXHVKMVCAUEKAB-UHFFFAOYSA-N -1 3 423.494 3.402 50 0 HGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000021095167 558431035 /nfs/dbraw/zinc/43/10/35/558431035.db2.gz KSLHLVQJFRFAQH-UHFFFAOYSA-N -1 3 402.255 3.405 50 0 HGAAHM CCCn1c2ccccc2nc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000022284827 558476194 /nfs/dbraw/zinc/47/61/94/558476194.db2.gz WMHHODZCSFGHSQ-QGZVFWFLSA-N -1 3 420.560 3.449 50 0 HGAAHM CN(CC(=O)Nc1ccccc1Br)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012939226 558486907 /nfs/dbraw/zinc/48/69/07/558486907.db2.gz PKIBYLZRQDAUEG-UHFFFAOYSA-N -1 3 407.293 3.230 50 0 HGAAHM COc1ccc([C@@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)c(OC)c1 ZINC000004459144 558590288 /nfs/dbraw/zinc/59/02/88/558590288.db2.gz RZXXSTGBGXHIRN-LJQANCHMSA-N -1 3 401.422 3.471 50 0 HGAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000024193286 558591510 /nfs/dbraw/zinc/59/15/10/558591510.db2.gz DTLHIYGOCZNWJN-GOSISDBHSA-N -1 3 415.342 3.345 50 0 HGAAHM COc1cc(Br)c(Br)c(C=C2SC(=O)[N-]C2=O)c1O ZINC000013942446 558605027 /nfs/dbraw/zinc/60/50/27/558605027.db2.gz MFYWJKJWWXYZHX-UQCOIBPSSA-N -1 3 409.055 3.250 50 0 HGAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)c2ccc(Cl)s2)oc(C)c1C(C)=O ZINC000014199134 558635190 /nfs/dbraw/zinc/63/51/90/558635190.db2.gz BMBCHPLXIXSMFV-UHFFFAOYSA-N -1 3 413.835 3.478 50 0 HGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)NCc1ccc(Cl)cc1 ZINC000015042178 558703911 /nfs/dbraw/zinc/70/39/11/558703911.db2.gz WTTBHIHROTVQLW-UHFFFAOYSA-N -1 3 401.894 3.013 50 0 HGAAHM CCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnc21 ZINC000029108655 558710261 /nfs/dbraw/zinc/71/02/61/558710261.db2.gz QWHKNLFNMQTRKZ-UHFFFAOYSA-N -1 3 412.755 3.029 50 0 HGAAHM C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015507428 558741658 /nfs/dbraw/zinc/74/16/58/558741658.db2.gz SFLASZMHUQKMSX-INIZCTEOSA-N -1 3 410.518 3.136 50 0 HGAAHM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1 ZINC000033115458 558761769 /nfs/dbraw/zinc/76/17/69/558761769.db2.gz AHMFTPOPDLPRNO-UHFFFAOYSA-N -1 3 416.543 3.207 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3CCSCC3)cc2)cc1 ZINC000017093687 558822122 /nfs/dbraw/zinc/82/21/22/558822122.db2.gz HKEHZRMXBCDODU-UHFFFAOYSA-N -1 3 423.585 3.242 50 0 HGAAHM O=C(C(=C([O-])c1ccc(Br)cc1)n1ccccc1=O)N1CCCCC1 ZINC000004690329 558899812 /nfs/dbraw/zinc/89/98/12/558899812.db2.gz YVGMSFASRYOKQS-QGZVFWFLSA-N -1 3 403.276 3.047 50 0 HGAAHM COc1ccc(Cc2noc([C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)cc1OC ZINC000097102685 558994275 /nfs/dbraw/zinc/99/42/75/558994275.db2.gz GYZAYVXPVFEEHP-INIZCTEOSA-N -1 3 409.442 3.361 50 0 HGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2)CC1 ZINC000023156772 559022698 /nfs/dbraw/zinc/02/26/98/559022698.db2.gz SFEOWDFNRFURBR-MRXNPFEDSA-N -1 3 400.504 3.169 50 0 HGAAHM COc1ccc(CNC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)cc1OC ZINC000004743392 559044860 /nfs/dbraw/zinc/04/48/60/559044860.db2.gz PBEUQFRYALNTGW-UHFFFAOYSA-N -1 3 411.454 3.382 50 0 biogenic HGAAHM CCC[C@@H]1COCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091657117 559072761 /nfs/dbraw/zinc/07/27/61/559072761.db2.gz UCZIAKPTHSASFX-GFCCVEGCSA-N -1 3 410.301 3.309 50 0 HGAAHM CC(C)c1ccc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011451423 559076920 /nfs/dbraw/zinc/07/69/20/559076920.db2.gz ZUFQYTPZIABAAF-UHFFFAOYSA-N -1 3 422.572 3.220 50 0 HGAAHM COc1ccc([C@@H]2CC(=O)c3c[n-]c4nn(-c5nc(C)cc(C)n5)c(=O)c-4c3C2)cc1 ZINC000100137671 559163244 /nfs/dbraw/zinc/16/32/44/559163244.db2.gz LANIAKUPFZZNJA-HNNXBMFYSA-N -1 3 415.453 3.042 50 0 HGAAHM CCn1nc([O-])c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(C)cc1 ZINC000100141770 559163771 /nfs/dbraw/zinc/16/37/71/559163771.db2.gz MDUDILKXVVHMGO-QQTULTPQSA-N -1 3 415.497 3.202 50 0 HGAAHM CCn1[n-]c(=O)c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(C)cc1 ZINC000100141770 559163773 /nfs/dbraw/zinc/16/37/73/559163773.db2.gz MDUDILKXVVHMGO-QQTULTPQSA-N -1 3 415.497 3.202 50 0 HGAAHM Cc1ccc(CN2CCc3nc(N(C)Cc4cccnc4)[n-]c(=O)c3CC2)cc1C ZINC000257197406 559189825 /nfs/dbraw/zinc/18/98/25/559189825.db2.gz NYSOBPRKFCNMJX-UHFFFAOYSA-N -1 3 403.530 3.431 50 0 HGAAHM Cc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000005075781 559240902 /nfs/dbraw/zinc/24/09/02/559240902.db2.gz XEIJMKXBMPKIMF-UHFFFAOYSA-N -1 3 408.545 3.261 50 0 HGAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000033756609 559241658 /nfs/dbraw/zinc/24/16/58/559241658.db2.gz ZHRJEAGZQYSLIC-UHFFFAOYSA-N -1 3 401.517 3.101 50 0 HGAAHM O=c1c(CN2CCc3ccccc3C2)coc([O-])c1CN1CCc2ccccc2C1 ZINC000100797315 559268191 /nfs/dbraw/zinc/26/81/91/559268191.db2.gz FPSAKSFAKSRONC-UHFFFAOYSA-N -1 3 402.494 3.462 50 0 biogenic HGAAHM Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000009328483 560758605 /nfs/dbraw/zinc/75/86/05/560758605.db2.gz ZXURNOKQOKHKJR-UHFFFAOYSA-N -1 3 404.879 3.484 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000102704807 560820504 /nfs/dbraw/zinc/82/05/04/560820504.db2.gz CSAGVHLTZREPBO-YPAWHYETSA-N -1 3 416.433 3.452 50 0 HGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccnc2)cc1 ZINC000102873093 560830320 /nfs/dbraw/zinc/83/03/20/560830320.db2.gz PWQSEFAZOVLDGP-FDFHNCONSA-N -1 3 415.449 3.450 50 0 HGAAHM Cc1cccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)c1C ZINC000051316674 560856445 /nfs/dbraw/zinc/85/64/45/560856445.db2.gz GVWPEXUJXDUXIN-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM Cc1cccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)c1C ZINC000051316674 560856447 /nfs/dbraw/zinc/85/64/47/560856447.db2.gz GVWPEXUJXDUXIN-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCn1cnc2ccccc21 ZINC000020004481 560880030 /nfs/dbraw/zinc/88/00/30/560880030.db2.gz DIIOBAHTWJKXFQ-UHFFFAOYSA-N -1 3 424.320 3.176 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000046074122 568426734 /nfs/dbraw/zinc/42/67/34/568426734.db2.gz PXITWFOZJAZQHA-VIFPVBQESA-N -1 3 410.858 3.129 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000046074186 568426824 /nfs/dbraw/zinc/42/68/24/568426824.db2.gz PVZSTFHOSMCRTI-JTQLQIEISA-N -1 3 406.895 3.380 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074522 568427018 /nfs/dbraw/zinc/42/70/18/568427018.db2.gz XUVKFGXQJCVXKB-HNNXBMFYSA-N -1 3 406.467 3.127 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)ccc1C)CC(=O)N2 ZINC000046075708 568427063 /nfs/dbraw/zinc/42/70/63/568427063.db2.gz SIHKCAWFQMOXAM-GFCCVEGCSA-N -1 3 404.467 3.174 50 0 HGAAHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)o1 ZINC000048311862 568436988 /nfs/dbraw/zinc/43/69/88/568436988.db2.gz IAGQNDGHGRMTNW-UHFFFAOYSA-N -1 3 414.418 3.122 50 0 HGAAHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049304294 568447126 /nfs/dbraw/zinc/44/71/26/568447126.db2.gz IDRJIWSIRVJRLS-OAHLLOKOSA-N -1 3 414.465 3.453 50 0 HGAAHM Cc1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000006915680 568464066 /nfs/dbraw/zinc/46/40/66/568464066.db2.gz QPHQKIWJTGCRGR-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1cnn(C[C@H]2CCCCO2)c1 ZINC000390828734 568591760 /nfs/dbraw/zinc/59/17/60/568591760.db2.gz TWHGSHQJBWNRQD-MRXNPFEDSA-N -1 3 403.426 3.413 50 0 HGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000096118375 568698111 /nfs/dbraw/zinc/69/81/11/568698111.db2.gz MNAJJNJFJIXQKX-MRXNPFEDSA-N -1 3 405.501 3.160 50 0 HGAAHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1F ZINC000096123602 568700267 /nfs/dbraw/zinc/70/02/67/568700267.db2.gz ZOMKLLRJLPONNI-AWEZNQCLSA-N -1 3 408.314 3.490 50 0 HGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)ccc1O ZINC000096232775 568708330 /nfs/dbraw/zinc/70/83/30/568708330.db2.gz UESWMFBPWASBHR-YVEFUNNKSA-N -1 3 419.503 3.208 50 0 HGAAHM COC(=O)CN1C(=O)N(C2CCCCC2)[C@H](N([O-])C(=O)NC2CCCCC2)C1(C)C ZINC000000863152 568719582 /nfs/dbraw/zinc/71/95/82/568719582.db2.gz WFFPCYXTXPNSMY-GOSISDBHSA-N -1 3 424.542 3.068 50 0 HGAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)OC ZINC000096385039 568741883 /nfs/dbraw/zinc/74/18/83/568741883.db2.gz BNMGWJFIADZHHC-GFCCVEGCSA-N -1 3 406.323 3.185 50 0 HGAAHM Cc1ccc(OCc2nc(SCC(=O)Nc3cccc4nsnc43)n[n-]2)cc1 ZINC000019077044 568750732 /nfs/dbraw/zinc/75/07/32/568750732.db2.gz NYOTZPRASHVPDO-UHFFFAOYSA-N -1 3 412.500 3.428 50 0 HGAAHM O=S(=O)([N-]CCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000056327907 568801484 /nfs/dbraw/zinc/80/14/84/568801484.db2.gz POHUCDHQPYNNJB-UHFFFAOYSA-N -1 3 414.358 3.094 50 0 HGAAHM COc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)c(OC)c1 ZINC000029256049 568823674 /nfs/dbraw/zinc/82/36/74/568823674.db2.gz LZSPKWZQTXJNGX-UHFFFAOYSA-N -1 3 410.459 3.134 50 0 HGAAHM O=c1cc(-c2cccs2)nc([C@H]2CCCN(Cc3cn(-c4ncccn4)cn3)C2)[n-]1 ZINC000306147528 568825118 /nfs/dbraw/zinc/82/51/18/568825118.db2.gz UVDVCDUBJWYRJW-HNNXBMFYSA-N -1 3 419.514 3.266 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NCCCc1ccccc1 ZINC000005937592 568830960 /nfs/dbraw/zinc/83/09/60/568830960.db2.gz JUUHXGJHNNWODF-UHFFFAOYSA-N -1 3 414.449 3.123 50 0 HGAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000006009044 568835077 /nfs/dbraw/zinc/83/50/77/568835077.db2.gz HRXPHANSULQJEE-UHFFFAOYSA-N -1 3 407.455 3.261 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000012525931 568842828 /nfs/dbraw/zinc/84/28/28/568842828.db2.gz INXPVAWIXOVMLZ-HZPDHXFCSA-N -1 3 418.515 3.054 50 0 HGAAHM Cc1sc2[n-]c(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)nc(=O)c2c1C ZINC000003270180 568870304 /nfs/dbraw/zinc/87/03/04/568870304.db2.gz VODSJSAPQXRLLJ-UHFFFAOYSA-N -1 3 406.393 3.322 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccccc1 ZINC000003364674 568888945 /nfs/dbraw/zinc/88/89/45/568888945.db2.gz XYRBTHHVRJCWSY-UHFFFAOYSA-N -1 3 416.282 3.088 50 0 HGAAHM CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012774219 568953389 /nfs/dbraw/zinc/95/33/89/568953389.db2.gz PHZZXUSJZGRENW-UHFFFAOYSA-N -1 3 412.393 3.366 50 0 HGAAHM COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000012776860 568955362 /nfs/dbraw/zinc/95/53/62/568955362.db2.gz HUQZOASSCPVKSM-UHFFFAOYSA-N -1 3 413.396 3.002 50 0 HGAAHM O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000007977230 568962946 /nfs/dbraw/zinc/96/29/46/568962946.db2.gz IPZKTRHVWATSHS-HXUWFJFHSA-N -1 3 412.486 3.032 50 0 HGAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)c(O)c1 ZINC000012858451 569011452 /nfs/dbraw/zinc/01/14/52/569011452.db2.gz ZPMREWJWBQDZMP-CQSZACIVSA-N -1 3 424.906 3.064 50 0 HGAAHM Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C)c1 ZINC000013005667 569049607 /nfs/dbraw/zinc/04/96/07/569049607.db2.gz AETYCYUERBWOGH-UHFFFAOYSA-N -1 3 402.516 3.357 50 0 HGAAHM O=S(=O)([N-]C1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1cccs1 ZINC000054146922 569059821 /nfs/dbraw/zinc/05/98/21/569059821.db2.gz QCMVIVLIANQCBK-UHFFFAOYSA-N -1 3 403.529 3.346 50 0 HGAAHM CC[C@@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000006529844 569063396 /nfs/dbraw/zinc/06/33/96/569063396.db2.gz FKYWOIWVTQIBQX-OAHLLOKOSA-N -1 3 411.531 3.300 50 0 HGAAHM CN(C)CCn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000006590677 569068646 /nfs/dbraw/zinc/06/86/46/569068646.db2.gz JEGBWTPMIQCAPE-UHFFFAOYSA-N -1 3 420.444 3.029 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc4nnc(C)n4n3)ccc2C)cc1 ZINC000064983830 569144686 /nfs/dbraw/zinc/14/46/86/569144686.db2.gz GGYDFENGLDRTIT-UHFFFAOYSA-N -1 3 409.471 3.218 50 0 HGAAHM Cc1cccc(N2CCN(CCCC[N-]S(=O)(=O)c3c(F)cccc3F)CC2)c1 ZINC000036397762 569171042 /nfs/dbraw/zinc/17/10/42/569171042.db2.gz CGQJWVLZCVXRNI-UHFFFAOYSA-N -1 3 423.529 3.154 50 0 HGAAHM Cc1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000006985271 569195813 /nfs/dbraw/zinc/19/58/13/569195813.db2.gz MSYKPVLWYIORIC-CYBMUJFWSA-N -1 3 416.528 3.311 50 0 HGAAHM Cc1ccc(CNC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000007095171 569219581 /nfs/dbraw/zinc/21/95/81/569219581.db2.gz QABBHJNUYKIYSN-HNNXBMFYSA-N -1 3 419.510 3.214 50 0 HGAAHM Cc1ccccc1OCc1nc(SCC(=O)c2ccc3c(c2)CC(=O)N3C)n[n-]1 ZINC000007227213 569229622 /nfs/dbraw/zinc/22/96/22/569229622.db2.gz JTTHIUAOIZWFDU-UHFFFAOYSA-N -1 3 408.483 3.186 50 0 HGAAHM COc1ccc(CCS(=O)(=O)[N-]C[C@@](O)(c2ccsc2)c2cccs2)cc1 ZINC000240122682 569240153 /nfs/dbraw/zinc/24/01/53/569240153.db2.gz WGWGRQYEXOISHC-LJQANCHMSA-N -1 3 423.581 3.216 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000170617462 569248046 /nfs/dbraw/zinc/24/80/46/569248046.db2.gz WKTKYHZZBCQFOY-INIZCTEOSA-N -1 3 421.950 3.147 50 0 HGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccco1 ZINC000002877267 569278402 /nfs/dbraw/zinc/27/84/02/569278402.db2.gz NOGWCQDMURIKQZ-UHFFFAOYSA-N -1 3 420.874 3.429 50 0 HGAAHM O=S(=O)([N-]C[C@@H]1CCCN1c1ccccc1)c1ccc(Br)s1 ZINC000207993517 569285876 /nfs/dbraw/zinc/28/58/76/569285876.db2.gz PEAQSCHHLXOZSB-ZDUSSCGKSA-N -1 3 401.351 3.458 50 0 HGAAHM CCOC(=O)[C@@]([N-]S(=O)(=O)c1ccccc1)(Nc1ccc(C)cc1)C(F)(F)F ZINC000002230189 569317619 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CCOC(=O)[C@@]([N-]c1cc(C)on1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103415 557446766 /nfs/dbraw/zinc/44/67/66/557446766.db2.gz FXMCMSMQCNIKKN-OAHLLOKOSA-N -1 3 405.760 3.300 50 0 HGAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000034739183 557450729 /nfs/dbraw/zinc/45/07/29/557450729.db2.gz AYDSLGJXOVHCSB-SJORKVTESA-N -1 3 418.412 3.251 50 0 HGAAHM S=c1[n-]nc(Cn2cccn2)n1-c1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000002808665 557767513 /nfs/dbraw/zinc/76/75/13/557767513.db2.gz JQXOBEKZMHRHBW-UHFFFAOYSA-N -1 3 406.302 3.352 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000021469300 558439030 /nfs/dbraw/zinc/43/90/30/558439030.db2.gz KXTVGCOWYSKZPZ-LJQANCHMSA-N -1 3 417.556 3.117 50 0 HGAAHM CN1C(=O)c2ccc(C(=O)[N-]c3nnc(SCc4ccccc4)s3)cc2C1=O ZINC000021955687 558456489 /nfs/dbraw/zinc/45/64/89/558456489.db2.gz AEYVYDNMWRPVFQ-UHFFFAOYSA-N -1 3 410.480 3.309 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000012977167 558491932 /nfs/dbraw/zinc/49/19/32/558491932.db2.gz NHRPJTQHLJFVRN-MRXNPFEDSA-N -1 3 421.548 3.015 50 0 HGAAHM CCc1cc2c(CN3CCN(CCOc4ccccc4)CC3)cc(=O)oc2cc1[O-] ZINC000023333934 558549775 /nfs/dbraw/zinc/54/97/75/558549775.db2.gz AQQXKFMTUZHSKV-UHFFFAOYSA-N -1 3 408.498 3.258 50 0 HGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccccc3OC(F)F)cc(C(C)C)nc21 ZINC000024443181 558597626 /nfs/dbraw/zinc/59/76/26/558597626.db2.gz YLGRSHIOMGAIPQ-UHFFFAOYSA-N -1 3 418.400 3.082 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1Cl ZINC000013856259 558598221 /nfs/dbraw/zinc/59/82/21/558598221.db2.gz KKGIVVGVTXIGSE-UHFFFAOYSA-N -1 3 424.906 3.394 50 0 HGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000004478280 558601362 /nfs/dbraw/zinc/60/13/62/558601362.db2.gz BMUWOTCQDWKACE-MRXNPFEDSA-N -1 3 415.393 3.194 50 0 HGAAHM Cc1nc(C2([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)CCCCCC2)no1 ZINC000024688985 558607636 /nfs/dbraw/zinc/60/76/36/558607636.db2.gz GCYWBOCHLWKNSN-UHFFFAOYSA-N -1 3 407.492 3.067 50 0 HGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(OC)cc1 ZINC000028498143 558701636 /nfs/dbraw/zinc/70/16/36/558701636.db2.gz JMDOZOQPVGHWQG-UHFFFAOYSA-N -1 3 400.294 3.335 50 0 HGAAHM CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043590 558704327 /nfs/dbraw/zinc/70/43/27/558704327.db2.gz GYQZXBGSOZIYKD-GOSISDBHSA-N -1 3 409.530 3.480 50 0 HGAAHM CCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cnc21 ZINC000029107775 558710305 /nfs/dbraw/zinc/71/03/05/558710305.db2.gz LAOMMJZFOZARHJ-UHFFFAOYSA-N -1 3 402.410 3.149 50 0 HGAAHM Cc1cccc(N2CCN(CC[C@@H](C)[N-]S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000030440053 558730353 /nfs/dbraw/zinc/73/03/53/558730353.db2.gz FSMMYNARNAOKNS-GOSISDBHSA-N -1 3 405.539 3.013 50 0 HGAAHM C[C@@H]1CCc2c(sc3[n-]c(COC(=O)c4cc(=O)[nH]c5ccccc54)nc(=O)c23)C1 ZINC000015587175 558745082 /nfs/dbraw/zinc/74/50/82/558745082.db2.gz BAEHDAVKTHGYNL-LLVKDONJSA-N -1 3 421.478 3.308 50 0 HGAAHM COc1cc(CN2CCN(c3ccccc3)CC2)cc(I)c1[O-] ZINC000016662734 558776828 /nfs/dbraw/zinc/77/68/28/558776828.db2.gz BPQGJTIJROOXOO-UHFFFAOYSA-N -1 3 424.282 3.328 50 0 HGAAHM Cc1cccc(OCCc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[n-]c2=O)c1 ZINC000071405898 558876464 /nfs/dbraw/zinc/87/64/64/558876464.db2.gz SYNGFKVMSRGNOG-UHFFFAOYSA-N -1 3 418.541 3.330 50 0 HGAAHM Cc1sc(S(=O)(=O)N2CCCC2)cc1[N-]C(=O)c1ccc(Br)o1 ZINC000033129557 558885440 /nfs/dbraw/zinc/88/54/40/558885440.db2.gz VOUZHIWKNBREPQ-UHFFFAOYSA-N -1 3 419.322 3.449 50 0 HGAAHM O=S(=O)([N-]CCCN1Cc2ccccc2C1)c1ccc(Br)s1 ZINC000060544977 558908053 /nfs/dbraw/zinc/90/80/53/558908053.db2.gz FTNCKOSFUFOODL-UHFFFAOYSA-N -1 3 401.351 3.195 50 0 HGAAHM Cc1nc(COC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)oc1C ZINC000058307189 558918488 /nfs/dbraw/zinc/91/84/88/558918488.db2.gz ZWCJIZMMACZOLZ-UHFFFAOYSA-N -1 3 419.286 3.396 50 0 HGAAHM CC(=O)c1ccc(NC(=O)N2CCc3c(nc(-c4ccc(F)cc4)[n-]c3=O)C2)cc1 ZINC000097086864 558991047 /nfs/dbraw/zinc/99/10/47/558991047.db2.gz VWYDJXSEWPVQKH-UHFFFAOYSA-N -1 3 406.417 3.369 50 0 HGAAHM Cc1cc(CN(C)C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)on1 ZINC000091444931 559071729 /nfs/dbraw/zinc/07/17/29/559071729.db2.gz ZMBMZZKOFQCRNI-UHFFFAOYSA-N -1 3 407.257 3.236 50 0 HGAAHM O=c1nc(CN2CCN(c3nccs3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000011411331 559074265 /nfs/dbraw/zinc/07/42/65/559074265.db2.gz JRHNVEMDQCFEAS-UHFFFAOYSA-N -1 3 409.540 3.430 50 0 HGAAHM O=C(N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000011449800 559076494 /nfs/dbraw/zinc/07/64/94/559076494.db2.gz YTNLSBCPSQWIGI-UHFFFAOYSA-N -1 3 424.975 3.403 50 0 HGAAHM Cc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000004880210 559196286 /nfs/dbraw/zinc/19/62/86/559196286.db2.gz PHUNYNUUXSASKS-IBGZPJMESA-N -1 3 400.525 3.393 50 0 HGAAHM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CCC2 ZINC000004941231 559213729 /nfs/dbraw/zinc/21/37/29/559213729.db2.gz ZEDMYDWUQAGEAJ-UHFFFAOYSA-N -1 3 408.501 3.037 50 0 HGAAHM CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc([O-])cc2O)n(-c2ccccc2)n1 ZINC000005104156 559246665 /nfs/dbraw/zinc/24/66/65/559246665.db2.gz WDFGQSFESCWPNT-UHFFFAOYSA-N -1 3 409.442 3.377 50 0 HGAAHM C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)NC(=O)[N-]C1=O ZINC000247933521 559255596 /nfs/dbraw/zinc/25/55/96/559255596.db2.gz DEANHWUANRTGEH-DUQZYUJVSA-N -1 3 415.559 3.466 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100741301 559261254 /nfs/dbraw/zinc/26/12/54/559261254.db2.gz KJWYRZHDCVSPKG-DOTOQJQBSA-N -1 3 402.237 3.317 50 0 HGAAHM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000005269059 560559870 /nfs/dbraw/zinc/55/98/70/560559870.db2.gz QJPDIUPMSYVJNB-UHFFFAOYSA-N -1 3 406.482 3.130 50 0 HGAAHM CSc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(S(=O)(=O)N(C)C)n2)cc1 ZINC000005274460 560561432 /nfs/dbraw/zinc/56/14/32/560561432.db2.gz HOLWREKKBBFBQG-JLHYYAGUSA-N -1 3 416.528 3.198 50 0 HGAAHM CCOc1ccc(NCc2cc(=O)n3nc(NCc4ccc(F)cc4)[n-]c3n2)cc1 ZINC000101796567 560801684 /nfs/dbraw/zinc/80/16/84/560801684.db2.gz HVGZCNDSXVOCKM-UHFFFAOYSA-N -1 3 408.437 3.180 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccccc1Cl ZINC000051316707 560856542 /nfs/dbraw/zinc/85/65/42/560856542.db2.gz WUYHIPKUFOOGBN-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccccc1Cl ZINC000051316707 560856544 /nfs/dbraw/zinc/85/65/44/560856544.db2.gz WUYHIPKUFOOGBN-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1Cl ZINC000016085936 560858202 /nfs/dbraw/zinc/85/82/02/560858202.db2.gz PONRFTDXJMELIW-UHFFFAOYSA-N -1 3 418.696 3.352 50 0 HGAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)cc1 ZINC000046074903 568427021 /nfs/dbraw/zinc/42/70/21/568427021.db2.gz BNNKUYDZSKZLSC-MRXNPFEDSA-N -1 3 420.494 3.435 50 0 HGAAHM COc1ccc(CNC(=O)C(=C([O-])c2ccc(F)cc2)n2cc(C)ccc2=O)cc1 ZINC000000819544 568497150 /nfs/dbraw/zinc/49/71/50/568497150.db2.gz ZMKFAPFETQUEQF-NRFANRHFSA-N -1 3 408.429 3.045 50 0 HGAAHM O=C(Nc1ccccc1[O-])[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095473058 568628421 /nfs/dbraw/zinc/62/84/21/568628421.db2.gz IIWBIVOWECJHEK-JTQLQIEISA-N -1 3 415.247 3.023 50 0 HGAAHM COc1cc(F)c(S(=O)(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1OC ZINC000095944144 568663025 /nfs/dbraw/zinc/66/30/25/568663025.db2.gz XRBUEAPIDKMOET-UHFFFAOYSA-N -1 3 407.341 3.264 50 0 HGAAHM O=C(NCC1(Cc2ccccc2)CCC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000225805589 568675978 /nfs/dbraw/zinc/67/59/78/568675978.db2.gz WBIZVTJZXSRHNN-UHFFFAOYSA-N -1 3 407.445 3.017 50 0 HGAAHM O=C(NCC1(Cc2ccccc2)CCC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000225805589 568675981 /nfs/dbraw/zinc/67/59/81/568675981.db2.gz WBIZVTJZXSRHNN-UHFFFAOYSA-N -1 3 407.445 3.017 50 0 HGAAHM COc1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC000095989772 568677586 /nfs/dbraw/zinc/67/75/86/568677586.db2.gz ARGFTQYYYVHFNO-QHCPKHFHSA-N -1 3 414.477 3.003 50 0 HGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)c(OC)c1 ZINC000096116850 568696483 /nfs/dbraw/zinc/69/64/83/568696483.db2.gz CYWMRHFBEPNAGO-QGZVFWFLSA-N -1 3 421.544 3.449 50 0 HGAAHM CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000021537366 568712334 /nfs/dbraw/zinc/71/23/34/568712334.db2.gz QYEXJZBYVKMOLN-UHFFFAOYSA-N -1 3 421.482 3.214 50 0 HGAAHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)OC ZINC000096385040 568741798 /nfs/dbraw/zinc/74/17/98/568741798.db2.gz BNMGWJFIADZHHC-LBPRGKRZSA-N -1 3 406.323 3.185 50 0 HGAAHM Cc1ccccc1CNC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000096399490 568747981 /nfs/dbraw/zinc/74/79/81/568747981.db2.gz VUFHVYONUDEYJV-UHFFFAOYSA-N -1 3 421.569 3.385 50 0 HGAAHM NC(=O)c1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000002655507 568797662 /nfs/dbraw/zinc/79/76/62/568797662.db2.gz ZDYLFUADQVQDAZ-UHFFFAOYSA-N -1 3 403.464 3.251 50 0 HGAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(Cl)cc1Cl ZINC000002665054 568800216 /nfs/dbraw/zinc/80/02/16/568800216.db2.gz MMMQAEUZHNVUFW-RYUDHWBXSA-N -1 3 423.362 3.177 50 0 HGAAHM O=S(=O)([N-]CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)s1 ZINC000056997648 568822775 /nfs/dbraw/zinc/82/27/75/568822775.db2.gz JGWYDCMYYKNSCF-UHFFFAOYSA-N -1 3 420.387 3.155 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCOC(C)C)c2)cc1 ZINC000012604594 568870771 /nfs/dbraw/zinc/87/07/71/568870771.db2.gz TXZDZCWVOFUOFU-UHFFFAOYSA-N -1 3 420.531 3.349 50 0 HGAAHM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000012604587 568870829 /nfs/dbraw/zinc/87/08/29/568870829.db2.gz DJJRVWWDVMRUAN-UHFFFAOYSA-N -1 3 420.434 3.046 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1NC(C)=O ZINC000012604627 568870838 /nfs/dbraw/zinc/87/08/38/568870838.db2.gz ZHSHXNFYTTUFMS-UHFFFAOYSA-N -1 3 403.504 3.363 50 0 HGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(=O)oc3)cc2)cc1 ZINC000003333966 568882424 /nfs/dbraw/zinc/88/24/24/568882424.db2.gz CWTXXINLRASIQW-UHFFFAOYSA-N -1 3 414.439 3.092 50 0 HGAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)s1 ZINC000025874125 568927007 /nfs/dbraw/zinc/92/70/07/568927007.db2.gz RQRCWOPQLUVMKO-UHFFFAOYSA-N -1 3 404.966 3.108 50 0 HGAAHM CC(C)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000012764262 568947287 /nfs/dbraw/zinc/94/72/87/568947287.db2.gz WSNDNMOSMAZTOQ-UHFFFAOYSA-N -1 3 400.913 3.008 50 0 HGAAHM Cc1ccc(CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C)c1 ZINC000012770307 568951301 /nfs/dbraw/zinc/95/13/01/568951301.db2.gz GJEQXZYAPSZYAN-UHFFFAOYSA-N -1 3 409.530 3.318 50 0 HGAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000012772213 568952429 /nfs/dbraw/zinc/95/24/29/568952429.db2.gz ACEOMJHSEQBUKY-QGZVFWFLSA-N -1 3 415.342 3.345 50 0 HGAAHM CCc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012774832 568953723 /nfs/dbraw/zinc/95/37/23/568953723.db2.gz BIUWKRHMLWCXJZ-KRWDZBQOSA-N -1 3 409.530 3.483 50 0 HGAAHM Cc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)ccc1Br ZINC000012776061 568954652 /nfs/dbraw/zinc/95/46/52/568954652.db2.gz AJOBXRCREDRYQP-NSHDSACASA-N -1 3 415.284 3.202 50 0 HGAAHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000012778400 568956348 /nfs/dbraw/zinc/95/63/48/568956348.db2.gz AGWNGOZESROGHU-LJQANCHMSA-N -1 3 417.462 3.100 50 0 HGAAHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012781300 568957925 /nfs/dbraw/zinc/95/79/25/568957925.db2.gz RBJGECPNYVGIHS-MRXNPFEDSA-N -1 3 413.493 3.401 50 0 HGAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000008133223 568976439 /nfs/dbraw/zinc/97/64/39/568976439.db2.gz STEIVTKXZYFHCL-UHFFFAOYSA-N -1 3 405.454 3.063 50 0 HGAAHM COc1ccc([C@]2(C)[N-]C(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 ZINC000008327387 568992133 /nfs/dbraw/zinc/99/21/33/568992133.db2.gz MORPBXCRUDGAKY-SFHVURJKSA-N -1 3 400.303 3.358 50 0 HGAAHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)cc2)n1 ZINC000012850755 569010447 /nfs/dbraw/zinc/01/04/47/569010447.db2.gz FLYOPKIYPFEFRU-UHFFFAOYSA-N -1 3 402.451 3.252 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000012949186 569029343 /nfs/dbraw/zinc/02/93/43/569029343.db2.gz HLVMNDZOVSEUOB-CYBMUJFWSA-N -1 3 411.483 3.168 50 0 HGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557166 569044800 /nfs/dbraw/zinc/04/48/00/569044800.db2.gz CFAUKLHEKDKKQR-UHFFFAOYSA-N -1 3 419.484 3.273 50 0 HGAAHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)o1 ZINC000006498178 569061437 /nfs/dbraw/zinc/06/14/37/569061437.db2.gz SNJREOTTXODXNX-UHFFFAOYSA-N -1 3 410.455 3.398 50 0 HGAAHM CCOC(=O)[C@@]([N-]c1ccc(OC(F)(F)F)cc1)(NC(=O)CC)C(F)(F)F ZINC000002050567 569072346 /nfs/dbraw/zinc/07/23/46/569072346.db2.gz TWQQOZHBRUTMPZ-CYBMUJFWSA-N -1 3 402.291 3.345 50 0 HGAAHM CCOC(=O)[C@]([N-]c1ccc(OC(F)(F)F)cc1)(NC(=O)CC)C(F)(F)F ZINC000002050566 569072358 /nfs/dbraw/zinc/07/23/58/569072358.db2.gz TWQQOZHBRUTMPZ-ZDUSSCGKSA-N -1 3 402.291 3.345 50 0 HGAAHM O=C(Nc1cccc(Cl)c1)c1nnc(C[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000064991599 569149008 /nfs/dbraw/zinc/14/90/08/569149008.db2.gz AVMDGFNIKZVOLO-UHFFFAOYSA-N -1 3 422.919 3.063 50 0 HGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000036359899 569151727 /nfs/dbraw/zinc/15/17/27/569151727.db2.gz ORGMCLRBZFZGOY-NRFANRHFSA-N -1 3 421.501 3.105 50 0 HGAAHM CCCCNc1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000006981047 569195608 /nfs/dbraw/zinc/19/56/08/569195608.db2.gz ZXBXVXPBMRLYAM-LLVKDONJSA-N -1 3 414.578 3.485 50 0 HGAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1[O-] ZINC000524731863 569212423 /nfs/dbraw/zinc/21/24/23/569212423.db2.gz MVEBLBOJZXTKFF-SFHVURJKSA-N -1 3 409.438 3.192 50 0 biogenic HGAAHM Cc1ccc(CNC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000007095159 569219545 /nfs/dbraw/zinc/21/95/45/569219545.db2.gz QABBHJNUYKIYSN-OAHLLOKOSA-N -1 3 419.510 3.214 50 0 HGAAHM O=S(=O)([N-]Cc1ccccn1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065305680 569220549 /nfs/dbraw/zinc/22/05/49/569220549.db2.gz BSEJHFJVHZIJSP-UHFFFAOYSA-N -1 3 416.459 3.478 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccc3c(c2)OCCO3)c(Cl)cc1Cl ZINC000240068004 569239886 /nfs/dbraw/zinc/23/98/86/569239886.db2.gz SHCGYFFNWCOESO-AWEZNQCLSA-N -1 3 418.298 3.085 50 0 HGAAHM C[C@@H]1CCN(C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c2c([O-])cccc21 ZINC000170597405 569242090 /nfs/dbraw/zinc/24/20/90/569242090.db2.gz SZRNXKBFKCTALC-CYBMUJFWSA-N -1 3 408.907 3.352 50 0 HGAAHM CCn1cc(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c2ccccc21 ZINC000170604253 569243805 /nfs/dbraw/zinc/24/38/05/569243805.db2.gz UVBGJWPGAHVLOM-UHFFFAOYSA-N -1 3 413.499 3.088 50 0 HGAAHM CCOC(=O)C[C@H](c1ccc(OC2CCCC2)cc1)c1oc(CO)cc(=O)c1[O-] ZINC000071283603 569251992 /nfs/dbraw/zinc/25/19/92/569251992.db2.gz KMLVNXGPAMOIMA-GOSISDBHSA-N -1 3 402.443 3.244 50 0 HGAAHM O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000016839900 569264422 /nfs/dbraw/zinc/26/44/22/569264422.db2.gz HINLQHXMIFBUKI-UHFFFAOYSA-N -1 3 410.426 3.423 50 0 HGAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000002256996 569326509 /nfs/dbraw/zinc/32/65/09/569326509.db2.gz JAIMCKOJJYZFAX-INIZCTEOSA-N -1 3 401.772 3.399 50 0 HGAAHM CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)o2)cc1 ZINC000002456997 569412283 /nfs/dbraw/zinc/41/22/83/569412283.db2.gz ZFBGQOLXKQLHAG-UHFFFAOYSA-N -1 3 412.471 3.020 50 0 HGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccccc3OCC)[n-]c(=O)c2C1 ZINC000067291760 571068439 /nfs/dbraw/zinc/06/84/39/571068439.db2.gz LVOMXTCDRVLVNO-UHFFFAOYSA-N -1 3 402.520 3.080 50 0 HGAAHM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 ZINC000008840588 571123646 /nfs/dbraw/zinc/12/36/46/571123646.db2.gz LFYNAEIZJJFDTF-UHFFFAOYSA-N -1 3 415.515 3.443 50 0 HGAAHM COc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2nc(-c3ccco3)sc2C)c1 ZINC000040146189 571196149 /nfs/dbraw/zinc/19/61/49/571196149.db2.gz KWLYCOFOKZCAMC-UHFFFAOYSA-N -1 3 407.473 3.344 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c(C)c1 ZINC000009153183 571231369 /nfs/dbraw/zinc/23/13/69/571231369.db2.gz UWTVJWQFLGEXLR-UHFFFAOYSA-N -1 3 421.478 3.295 50 0 HGAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2OCC(C)(C)C1=O ZINC000009166230 571232691 /nfs/dbraw/zinc/23/26/91/571232691.db2.gz BYOZRDRFSFODJB-UHFFFAOYSA-N -1 3 404.488 3.268 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009169995 571233551 /nfs/dbraw/zinc/23/35/51/571233551.db2.gz YXROLIAGBRIKDX-UHFFFAOYSA-N -1 3 404.488 3.268 50 0 HGAAHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268788 571244181 /nfs/dbraw/zinc/24/41/81/571244181.db2.gz STNUIDAWIKCNLA-JTQLQIEISA-N -1 3 409.455 3.185 50 0 HGAAHM C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000009377785 571253162 /nfs/dbraw/zinc/25/31/62/571253162.db2.gz JOSCAOFRDBOIJJ-CQSZACIVSA-N -1 3 405.483 3.078 50 0 HGAAHM COc1ccc(-n2ncc3c2nc(SCC(=O)OCc2ccccc2)[n-]c3=O)cc1 ZINC000009522022 571265742 /nfs/dbraw/zinc/26/57/42/571265742.db2.gz WPWFDICFFFQXRO-UHFFFAOYSA-N -1 3 422.466 3.365 50 0 HGAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)N2CCc4ccccc42)[n-]c3=O)c1 ZINC000009522386 571265747 /nfs/dbraw/zinc/26/57/47/571265747.db2.gz MHFLEHNIKJSNDN-UHFFFAOYSA-N -1 3 417.494 3.099 50 0 HGAAHM O=S(=O)([N-]C[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1cccs1 ZINC000009742524 571283630 /nfs/dbraw/zinc/28/36/30/571283630.db2.gz DWFFJVPODRETDU-LBPRGKRZSA-N -1 3 419.596 3.365 50 0 HGAAHM COc1cccc2cc(C(=O)[N-]c3nnc(Cc4ccc5c(c4)OCCO5)o3)oc21 ZINC000009813691 571286012 /nfs/dbraw/zinc/28/60/12/571286012.db2.gz AKNSINURIHWMKK-UHFFFAOYSA-N -1 3 407.382 3.439 50 0 HGAAHM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)c3cccc1c23 ZINC000001213511 132242544 /nfs/dbraw/zinc/24/25/44/132242544.db2.gz VYOYSVRPLABGTC-UHFFFAOYSA-N -1 3 409.467 3.043 50 0 HGAAHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005135935 132302130 /nfs/dbraw/zinc/30/21/30/132302130.db2.gz WQKNJYHYHJVPIM-UHFFFAOYSA-N -1 3 400.909 3.071 50 0 HGAAHM Cc1nc(-c2ccc(NC(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)cc2)cc(=O)[n-]1 ZINC000032915386 526577545 /nfs/dbraw/zinc/57/75/45/526577545.db2.gz KBERZHXMUCCVSI-OAQYLSRUSA-N -1 3 422.460 3.278 50 0 HGAAHM O=S(=O)([N-]c1cccc(/C=C/c2ccncc2)c1)c1ccc(-n2cnnn2)cc1 ZINC000020436456 527251439 /nfs/dbraw/zinc/25/14/39/527251439.db2.gz BYRLVBRZBFTAPL-SNAWJCMRSA-N -1 3 404.455 3.029 50 0 HGAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)cc(Br)c1[O-] ZINC000000647144 557037079 /nfs/dbraw/zinc/03/70/79/557037079.db2.gz QHKMQQNQPGCOMZ-AWEZNQCLSA-N -1 3 413.268 3.085 50 0 HGAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)C(=O)COc2ccccc2)cc1)C(F)(F)F ZINC000002900759 557424642 /nfs/dbraw/zinc/42/46/42/557424642.db2.gz HXWYOVUYHFYTPA-LJQANCHMSA-N -1 3 411.376 3.041 50 0 HGAAHM CCCN(CCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000004289730 557536293 /nfs/dbraw/zinc/53/62/93/557536293.db2.gz LLSFCGMIKIFDTB-UHFFFAOYSA-N -1 3 410.561 3.439 50 0 HGAAHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)Nc1ccc(Br)cn1 ZINC000004746816 557592041 /nfs/dbraw/zinc/59/20/41/557592041.db2.gz YQBAQINFVQVASX-UHFFFAOYSA-N -1 3 407.249 3.331 50 0 HGAAHM O=C([N-]C1=NCCS1)[C@@H](NC(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005043525 557629043 /nfs/dbraw/zinc/62/90/43/557629043.db2.gz VEMNISVGXUJPQO-IYZRDUGGSA-N -1 3 415.534 3.360 50 0 HGAAHM O=C(CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)NCCC1=CCCCC1 ZINC000020530626 558384246 /nfs/dbraw/zinc/38/42/46/558384246.db2.gz LDTRAGIBMUHBSI-UHFFFAOYSA-N -1 3 409.515 3.208 50 0 HGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccnc2ccccc21 ZINC000071924245 558386463 /nfs/dbraw/zinc/38/64/63/558386463.db2.gz OCDRVUBFBJTHMS-NRFANRHFSA-N -1 3 408.483 3.304 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000021469303 558439003 /nfs/dbraw/zinc/43/90/03/558439003.db2.gz KXTVGCOWYSKZPZ-IBGZPJMESA-N -1 3 417.556 3.117 50 0 HGAAHM CCOc1ccc(CN(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000021917514 558455422 /nfs/dbraw/zinc/45/54/22/558455422.db2.gz YPIHSAKEKVCLOY-UHFFFAOYSA-N -1 3 401.488 3.110 50 0 HGAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(F)cc1F)Nc1cccc2cccnc21 ZINC000012806493 558473888 /nfs/dbraw/zinc/47/38/88/558473888.db2.gz KMBTWEXZLKXLLS-UHFFFAOYSA-N -1 3 405.426 3.210 50 0 HGAAHM Cc1sc(-c2ccc(=O)n(C)n2)cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000064748085 558486753 /nfs/dbraw/zinc/48/67/53/558486753.db2.gz FTLYIOMFRSBSAT-UHFFFAOYSA-N -1 3 413.883 3.411 50 0 HGAAHM COc1ccc(CCNC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)cc1OC ZINC000013121836 558517392 /nfs/dbraw/zinc/51/73/92/558517392.db2.gz YFIPSZSALBVUHR-UHFFFAOYSA-N -1 3 401.850 3.425 50 0 HGAAHM O=C(NCCc1cccs1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000014242499 558644904 /nfs/dbraw/zinc/64/49/04/558644904.db2.gz FZAYFBAGIIGOND-UHFFFAOYSA-N -1 3 419.355 3.468 50 0 HGAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000026937088 558667490 /nfs/dbraw/zinc/66/74/90/558667490.db2.gz LXCITDCWSBDZKI-JOCHJYFZSA-N -1 3 416.525 3.193 50 0 HGAAHM C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026981878 558667919 /nfs/dbraw/zinc/66/79/19/558667919.db2.gz DJHCFYFFDZOOLJ-LLVKDONJSA-N -1 3 422.557 3.279 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000030020199 558726164 /nfs/dbraw/zinc/72/61/64/558726164.db2.gz OQIWYFWAFMNOKT-HIFRSBDPSA-N -1 3 407.536 3.034 50 0 HGAAHM Cc1cccc(NC(=O)CSc2nnc3[n-]c(=O)c(Cc4ccccc4)nn32)c1C ZINC000015882049 558760573 /nfs/dbraw/zinc/76/05/73/558760573.db2.gz UOOWHLRUIDANIT-UHFFFAOYSA-N -1 3 420.498 3.163 50 0 HGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000016490314 558794616 /nfs/dbraw/zinc/79/46/16/558794616.db2.gz VDFPIGQLKFPPHO-UHFFFAOYSA-N -1 3 422.506 3.451 50 0 HGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3cc(C)ccc3Cl)n2)N1 ZINC000017090869 558819579 /nfs/dbraw/zinc/81/95/79/558819579.db2.gz WLGDUONUHVZPFN-INIZCTEOSA-N -1 3 416.787 3.354 50 0 HGAAHM COc1ccccc1C(=O)[N-]N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018323153 558835526 /nfs/dbraw/zinc/83/55/26/558835526.db2.gz VZRKDBHUROBSAH-MYNGYRLFSA-N -1 3 424.456 3.232 50 0 HGAAHM Cc1c2ccccc2sc1C(=O)COC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000072312587 558837827 /nfs/dbraw/zinc/83/78/27/558837827.db2.gz JKUABAGGVBLLSR-QFIPXVFZSA-N -1 3 422.462 3.304 50 0 HGAAHM CC[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)n1cc(C(C)=O)c2ccccc21 ZINC000067604419 558988570 /nfs/dbraw/zinc/98/85/70/558988570.db2.gz DFANUXGNQOKNPR-IBGZPJMESA-N -1 3 402.458 3.292 50 0 HGAAHM CC[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)n1cc(C(C)=O)c2ccccc21 ZINC000067604419 558988571 /nfs/dbraw/zinc/98/85/71/558988571.db2.gz DFANUXGNQOKNPR-IBGZPJMESA-N -1 3 402.458 3.292 50 0 HGAAHM O=C(c1cc(-c2cccs2)n[nH]1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000097123147 558995724 /nfs/dbraw/zinc/99/57/24/558995724.db2.gz XDYRFUOKLZPRGB-UHFFFAOYSA-N -1 3 403.467 3.087 50 0 HGAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)CCc3ccccc3)cc2s1 ZINC000033299077 559048343 /nfs/dbraw/zinc/04/83/43/559048343.db2.gz BIAPTMRNSBSZPC-UHFFFAOYSA-N -1 3 424.569 3.464 50 0 HGAAHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)c1ccccc1Cl ZINC000004751646 559049098 /nfs/dbraw/zinc/04/90/98/559049098.db2.gz YQDINXNBUIKJBW-HNNXBMFYSA-N -1 3 415.870 3.461 50 0 HGAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccco2)s1 ZINC000033306407 559051481 /nfs/dbraw/zinc/05/14/81/559051481.db2.gz NJFLXYIKOIKWFX-FNORWQNLSA-N -1 3 407.473 3.245 50 0 HGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000100722329 559138433 /nfs/dbraw/zinc/13/84/33/559138433.db2.gz CAKLGVMOEACNNO-PCCBWWKXSA-N -1 3 401.422 3.141 50 0 HGAAHM COCCNC(=O)c1ccc(Cl)c([N-]C(=O)c2c(C)noc2C(F)(F)F)c1 ZINC000072308024 559161247 /nfs/dbraw/zinc/16/12/47/559161247.db2.gz QGHNLCNYDGLTBL-UHFFFAOYSA-N -1 3 405.760 3.284 50 0 HGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2ccc(F)cc2)CC4=O)n1 ZINC000100137676 559163175 /nfs/dbraw/zinc/16/31/75/559163175.db2.gz YWQVOXVQDUGHPI-CQSZACIVSA-N -1 3 403.417 3.172 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccccc1Cl ZINC000004879936 559196156 /nfs/dbraw/zinc/19/61/56/559196156.db2.gz PULYRHJZYBWYRP-INIZCTEOSA-N -1 3 400.953 3.063 50 0 HGAAHM Cc1ccc(-c2ccc(=O)n(CCC[N-]S(=O)(=O)c3ccc(Cl)s3)n2)cc1 ZINC000011738558 559256356 /nfs/dbraw/zinc/25/63/56/559256356.db2.gz LRHDPFHUYGXTLP-UHFFFAOYSA-N -1 3 423.947 3.302 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1OC ZINC000018183467 560781913 /nfs/dbraw/zinc/78/19/13/560781913.db2.gz JBSCRCHHRYVXCR-RHSMWYFYSA-N -1 3 421.236 3.303 50 0 HGAAHM COc1ccc(Cl)cc1NC(=O)Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O ZINC000101800988 560802048 /nfs/dbraw/zinc/80/20/48/560802048.db2.gz CUVQXSCBGNRHFU-UHFFFAOYSA-N -1 3 400.797 3.269 50 0 HGAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000102914552 560835316 /nfs/dbraw/zinc/83/53/16/560835316.db2.gz AIRJRZRRFRLGKT-SLFFLAALSA-N -1 3 418.405 3.117 50 0 HGAAHM O=S(=O)([N-]Cc1nc2cccnc2n1Cc1ccc(F)cc1)c1cccs1 ZINC000047146218 560882222 /nfs/dbraw/zinc/88/22/22/560882222.db2.gz WLJWIULCGBCDEE-UHFFFAOYSA-N -1 3 402.476 3.159 50 0 HGAAHM CCCOc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1OCC ZINC000047169060 560883307 /nfs/dbraw/zinc/88/33/07/560883307.db2.gz LEMOIKCGNSGBEC-QFIPXVFZSA-N -1 3 411.458 3.181 50 0 HGAAHM O=C([N-]c1nnc(SCc2cc(=O)n3ccccc3n2)s1)c1cccs1 ZINC000046031491 568424463 /nfs/dbraw/zinc/42/44/63/568424463.db2.gz KUMPMYHBPSVCTN-UHFFFAOYSA-N -1 3 401.498 3.152 50 0 HGAAHM CCOc1ccc(NC(=O)CN2CCc3[n-]c4c(F)ccc(F)c4c(=O)c3C2)cc1 ZINC000049003226 568446270 /nfs/dbraw/zinc/44/62/70/568446270.db2.gz RWFCGZVXZZBZBT-UHFFFAOYSA-N -1 3 413.424 3.202 50 0 HGAAHM Cc1csc([C@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C2CC2)n1 ZINC000095460707 568620192 /nfs/dbraw/zinc/62/01/92/568620192.db2.gz FBTZBGCBXYHHCV-MRXNPFEDSA-N -1 3 424.523 3.304 50 0 HGAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1OC ZINC000020978332 568654208 /nfs/dbraw/zinc/65/42/08/568654208.db2.gz MIMPKTZRVGHDAJ-UHFFFAOYSA-N -1 3 408.501 3.250 50 0 HGAAHM Cc1cn2c(nc(CSc3nnc([N-]C(=O)c4ccco4)s3)cc2=O)s1 ZINC000020984367 568654794 /nfs/dbraw/zinc/65/47/94/568654794.db2.gz PIJRLDKMHNRKQS-UHFFFAOYSA-N -1 3 405.486 3.054 50 0 HGAAHM O=C(Nc1ccc2c(c1)CCC2)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2 ZINC000096095769 568688567 /nfs/dbraw/zinc/68/85/67/568688567.db2.gz JARILSLOGQKOOM-JEBQAFNWSA-N -1 3 417.556 3.210 50 0 HGAAHM C[C@H](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1 ZINC000096116431 568695908 /nfs/dbraw/zinc/69/59/08/568695908.db2.gz AQOKIKVOUHWQQL-LBPRGKRZSA-N -1 3 409.442 3.269 50 0 biogenic HGAAHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1F ZINC000096123601 568700359 /nfs/dbraw/zinc/70/03/59/568700359.db2.gz ZOMKLLRJLPONNI-CQSZACIVSA-N -1 3 408.314 3.490 50 0 HGAAHM CCc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 ZINC000000854134 568712599 /nfs/dbraw/zinc/71/25/99/568712599.db2.gz HVSLRSOFVFGUPA-UHFFFAOYSA-N -1 3 402.929 3.037 50 0 HGAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)cc1 ZINC000003022246 568726916 /nfs/dbraw/zinc/72/69/16/568726916.db2.gz XNSKROXJJBRAGY-KRWDZBQOSA-N -1 3 406.479 3.098 50 0 HGAAHM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043762 568748395 /nfs/dbraw/zinc/74/83/95/568748395.db2.gz YHUZNBCTZHINTR-JKSUJKDBSA-N -1 3 413.493 3.448 50 0 HGAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(OC)c1 ZINC000021881037 568757077 /nfs/dbraw/zinc/75/70/77/568757077.db2.gz GFVCHYGQCBFONA-UHFFFAOYSA-N -1 3 410.879 3.433 50 0 HGAAHM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[O-])c2)C[C@H](C)O1 ZINC000000991083 568760014 /nfs/dbraw/zinc/76/00/14/568760014.db2.gz PNGZXNCQGJMYFQ-STQMWFEESA-N -1 3 424.906 3.096 50 0 HGAAHM O=C(c1cc2c(s1)CCCC2)N1C[C@@H]2C[C@H]1C[C@@H]2[N-]S(=O)(=O)c1cccs1 ZINC000097077750 568767608 /nfs/dbraw/zinc/76/76/08/568767608.db2.gz KHUMSCRJQXCMFD-KKUMJFAQSA-N -1 3 422.597 3.270 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1 ZINC000002469097 568772991 /nfs/dbraw/zinc/77/29/91/568772991.db2.gz JKDPSUZTMBHAIG-ZDUSSCGKSA-N -1 3 404.966 3.440 50 0 HGAAHM Cc1ccc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC(C)=C2C(=O)OCc2ccccc2)s1 ZINC000005867027 568826865 /nfs/dbraw/zinc/82/68/65/568826865.db2.gz ZWOUFMHGJQDCLL-INIZCTEOSA-N -1 3 409.467 3.008 50 0 HGAAHM COc1cc2c(cc1OC)CN(Cc1nc(=O)c3c(C)c(C(C)=O)sc3[n-]1)CC2 ZINC000012690170 568908319 /nfs/dbraw/zinc/90/83/19/568908319.db2.gz ZKVILLWUQYCIOV-UHFFFAOYSA-N -1 3 413.499 3.071 50 0 HGAAHM O=c1c([C@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c(=S)n1CCc1ccccc1 ZINC000001322940 568914670 /nfs/dbraw/zinc/91/46/70/568914670.db2.gz GUDYFMZGYBKFRU-HXUWFJFHSA-N -1 3 418.522 3.197 50 0 biogenic HGAAHM O=S(=O)([N-]C[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccs1 ZINC000008038096 568970088 /nfs/dbraw/zinc/97/00/88/568970088.db2.gz ZDJFVZPHBKPSMD-AWEZNQCLSA-N -1 3 413.567 3.303 50 0 HGAAHM Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccc3Br)n[n-]2)c1 ZINC000008115342 568974288 /nfs/dbraw/zinc/97/42/88/568974288.db2.gz UITVRAMOSCUFDE-UHFFFAOYSA-N -1 3 401.264 3.290 50 0 HGAAHM Cc1cccc(C)c1NC(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1 ZINC000085703929 569007270 /nfs/dbraw/zinc/00/72/70/569007270.db2.gz NMMQQGWKQBYBKL-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000012897364 569020356 /nfs/dbraw/zinc/02/03/56/569020356.db2.gz FUJZMAZVVZMUDI-UHFFFAOYSA-N -1 3 420.465 3.164 50 0 HGAAHM O=C(Cn1cnc2c3cccnc3sc2c1=O)[N-]c1oncc1-c1ccccc1 ZINC000575616053 569036657 /nfs/dbraw/zinc/03/66/57/569036657.db2.gz ORACNYKJBXBZLD-UHFFFAOYSA-N -1 3 403.423 3.300 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(-c2ccncc2)n(C2CCCC2)n1 ZINC000090607150 569041865 /nfs/dbraw/zinc/04/18/65/569041865.db2.gz VIOSXGBSXOIZRZ-UHFFFAOYSA-N -1 3 401.492 3.144 50 0 HGAAHM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(OCc3ccccc3)c2)C1=O ZINC000012985209 569047736 /nfs/dbraw/zinc/04/77/36/569047736.db2.gz BTONNEYNYWAKCC-XMMPIXPASA-N -1 3 415.449 3.378 50 0 HGAAHM CCOC(=O)c1cccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c1 ZINC000006624021 569075424 /nfs/dbraw/zinc/07/54/24/569075424.db2.gz VHCLDWWLDSOPQS-UHFFFAOYSA-N -1 3 413.426 3.330 50 0 biogenic HGAAHM CCN(c1ccccc1)S(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000006818270 569138235 /nfs/dbraw/zinc/13/82/35/569138235.db2.gz UUDQANQHKJGZPJ-UHFFFAOYSA-N -1 3 406.464 3.145 50 0 HGAAHM Cc1cc(C)cc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)c1 ZINC000064991794 569149186 /nfs/dbraw/zinc/14/91/86/569149186.db2.gz UMMDZZMHTBFGIF-UHFFFAOYSA-N -1 3 420.491 3.025 50 0 HGAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)c2)n1 ZINC000036395424 569168742 /nfs/dbraw/zinc/16/87/42/569168742.db2.gz NFWKNCDAHNSZEL-UHFFFAOYSA-N -1 3 410.861 3.157 50 0 HGAAHM CCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(OC)cc2OC)c1 ZINC000065112450 569180620 /nfs/dbraw/zinc/18/06/20/569180620.db2.gz JZFDPFVMYPPICA-UHFFFAOYSA-N -1 3 407.517 3.127 50 0 HGAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1 ZINC000065112571 569180634 /nfs/dbraw/zinc/18/06/34/569180634.db2.gz NSKAWZCWBLUAOY-UHFFFAOYSA-N -1 3 405.501 3.229 50 0 HGAAHM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)s1 ZINC000065183790 569191042 /nfs/dbraw/zinc/19/10/42/569191042.db2.gz YIVHGUZNHKYNKI-UHFFFAOYSA-N -1 3 404.439 3.159 50 0 HGAAHM CC(=O)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)cc1 ZINC000007388762 569236077 /nfs/dbraw/zinc/23/60/77/569236077.db2.gz JBTDDSJJFDNVCO-UHFFFAOYSA-N -1 3 402.457 3.317 50 0 HGAAHM CC(=O)Nc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2[O-])cc1 ZINC000007424109 569237970 /nfs/dbraw/zinc/23/79/70/569237970.db2.gz WZYQIXXHKFRACR-UHFFFAOYSA-N -1 3 401.426 3.233 50 0 HGAAHM O=C(CCn1ccnc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000089788276 569264614 /nfs/dbraw/zinc/26/46/14/569264614.db2.gz ARYLKYGFAHKWJG-UHFFFAOYSA-N -1 3 404.879 3.366 50 0 HGAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccccc1)(Nc1ccc(C)cc1)C(F)(F)F ZINC000002230187 569317597 /nfs/dbraw/zinc/31/75/97/569317597.db2.gz ZRCHFFAYMKDTSB-QGZVFWFLSA-N -1 3 416.421 3.207 50 0 HGAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253412568 569366555 /nfs/dbraw/zinc/36/65/55/569366555.db2.gz RKFODRAMMMKJLW-AWEZNQCLSA-N -1 3 414.410 3.219 50 0 biogenic HGAAHM O=C1C[C@H](c2ccc(Br)cc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655760 569389795 /nfs/dbraw/zinc/38/97/95/569389795.db2.gz FRNIYZGHAWNOGX-CYBMUJFWSA-N -1 3 403.280 3.409 50 0 HGAAHM Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2nc3ccsc3c(=O)[n-]2)cc1 ZINC000013021010 569407383 /nfs/dbraw/zinc/40/73/83/569407383.db2.gz OSODSIKWJHLTIO-GFCCVEGCSA-N -1 3 417.512 3.097 50 0 HGAAHM O=c1cc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)occ1[O-] ZINC000008705337 571103190 /nfs/dbraw/zinc/10/31/90/571103190.db2.gz GCEOAIDFRKVHNO-UHFFFAOYSA-N -1 3 404.879 3.472 50 0 HGAAHM O=c1[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1CCC1=CCCCC1 ZINC000008742612 571110987 /nfs/dbraw/zinc/11/09/87/571110987.db2.gz QVNIXGQJSFDVFX-FQEVSTJZSA-N -1 3 406.486 3.261 50 0 biogenic HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C(C)C)nc21 ZINC000040063258 571148016 /nfs/dbraw/zinc/14/80/16/571148016.db2.gz NJCWLTAHBATLEC-CQSZACIVSA-N -1 3 406.486 3.210 50 0 HGAAHM C[C@]1(c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)NC(=O)[N-]C1=O ZINC000040111165 571169560 /nfs/dbraw/zinc/16/95/60/571169560.db2.gz YAQIZFIXQIWYNY-LJQANCHMSA-N -1 3 412.496 3.107 50 0 HGAAHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040117789 571174785 /nfs/dbraw/zinc/17/47/85/571174785.db2.gz GRYVBZJRCYMBMN-FKIZINRSSA-N -1 3 401.850 3.109 50 0 HGAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)c(C)c1 ZINC000008962439 571190074 /nfs/dbraw/zinc/19/00/74/571190074.db2.gz YZMSDIQCNCNNEE-UHFFFAOYSA-N -1 3 401.488 3.053 50 0 HGAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccc(C)cc1 ZINC000008995119 571208539 /nfs/dbraw/zinc/20/85/39/571208539.db2.gz HXAXOIBEXFQAJM-KRWDZBQOSA-N -1 3 405.454 3.448 50 0 HGAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2OCC(C)(C)C1=O ZINC000009170558 571233546 /nfs/dbraw/zinc/23/35/46/571233546.db2.gz ZXKOINWTPOIAJZ-UHFFFAOYSA-N -1 3 404.488 3.268 50 0 HGAAHM S=C(NN=c1nc(N2CCCC2)nc(Nc2ccccc2)[n-]1)NC1CCCCC1 ZINC000009310750 571247177 /nfs/dbraw/zinc/24/71/77/571247177.db2.gz CXYVBWUEFMXUBJ-UHFFFAOYSA-N -1 3 412.567 3.339 50 0 HGAAHM C[C@]1(c2ccc3c(c2)OCO3)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009362828 571251729 /nfs/dbraw/zinc/25/17/29/571251729.db2.gz PDMFWAGWECKFJX-GOSISDBHSA-N -1 3 414.286 3.078 50 0 HGAAHM COc1ccccc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(C)cc1 ZINC000009490630 571262737 /nfs/dbraw/zinc/26/27/37/571262737.db2.gz UFANTFQMRJKZLT-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 HGAAHM COc1ccccc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(C)cc1 ZINC000009490630 571262738 /nfs/dbraw/zinc/26/27/38/571262738.db2.gz UFANTFQMRJKZLT-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 HGAAHM CCOc1ccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(C)=O)cc1 ZINC000009517131 571265311 /nfs/dbraw/zinc/26/53/11/571265311.db2.gz SVHPACCMGGNMOD-FQEVSTJZSA-N -1 3 401.488 3.154 50 0 HGAAHM Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C4CC4)c3)ccc2o1 ZINC000009549901 571268113 /nfs/dbraw/zinc/26/81/13/571268113.db2.gz SPAPSZWNMITJDI-UHFFFAOYSA-N -1 3 405.863 3.483 50 0 HGAAHM CC(=O)c1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000009665698 571278049 /nfs/dbraw/zinc/27/80/49/571278049.db2.gz DSOUTGIGOGYLMD-UHFFFAOYSA-N -1 3 419.466 3.455 50 0 HGAAHM COC(=O)c1nc(NC(=O)c2cc(-c3ccco3)[n-]n2)sc1Cc1ccccc1 ZINC000095478366 571307190 /nfs/dbraw/zinc/30/71/90/571307190.db2.gz JXUOXKZRNXRHJY-UHFFFAOYSA-N -1 3 408.439 3.756 50 0 HGAAHM COC(=O)c1nc(NC(=O)c2cc(-c3ccco3)n[n-]2)sc1Cc1ccccc1 ZINC000095478366 571307192 /nfs/dbraw/zinc/30/71/92/571307192.db2.gz JXUOXKZRNXRHJY-UHFFFAOYSA-N -1 3 408.439 3.756 50 0 HGAAHM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000004347351 132275844 /nfs/dbraw/zinc/27/58/44/132275844.db2.gz GKKRATPPTSSGHM-UHFFFAOYSA-N -1 3 410.337 3.002 50 0 HGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(C)(=O)=O)c(C)c1 ZINC000005099703 132301380 /nfs/dbraw/zinc/30/13/80/132301380.db2.gz MBFNNJYDSVDQTK-UHFFFAOYSA-N -1 3 408.545 3.125 50 0 HGAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006035447 132309011 /nfs/dbraw/zinc/30/90/11/132309011.db2.gz HUEHXYBNPOTYKM-CYBMUJFWSA-N -1 3 415.544 3.489 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)cc1Cl ZINC000006867608 132319297 /nfs/dbraw/zinc/31/92/97/132319297.db2.gz XMOTXSHKFJIPRH-NSHDSACASA-N -1 3 410.879 3.283 50 0 HGAAHM CC(C)[C@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)n1cnc2ccccc21 ZINC000032932580 519809972 /nfs/dbraw/zinc/80/99/72/519809972.db2.gz WINLFKURDXUYDA-GOSISDBHSA-N -1 3 404.467 3.383 50 0 HGAAHM CC(C)c1cccc(NC(=O)CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000032865334 519841662 /nfs/dbraw/zinc/84/16/62/519841662.db2.gz YZDYUWGIEDYVJT-UHFFFAOYSA-N -1 3 421.588 3.253 50 0 HGAAHM CCOC(=O)c1cnn(-c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)c1C ZINC000032596726 521578904 /nfs/dbraw/zinc/57/89/04/521578904.db2.gz IDWJHWAZPPTARO-UHFFFAOYSA-N -1 3 415.471 3.167 50 0 HGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000032795103 523571986 /nfs/dbraw/zinc/57/19/86/523571986.db2.gz NKVGBGMCCYMZKV-UHFFFAOYSA-N -1 3 412.393 3.225 50 0 HGAAHM CNC(=O)NC(=O)CCS[C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000032778730 524077431 /nfs/dbraw/zinc/07/74/31/524077431.db2.gz JNXMBRBRVXPXAZ-LLVKDONJSA-N -1 3 416.528 3.292 50 0 HGAAHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000056909183 525581935 /nfs/dbraw/zinc/58/19/35/525581935.db2.gz JOZGUHHJDIZPBW-LLVKDONJSA-N -1 3 407.517 3.492 50 0 HGAAHM COc1cccc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1[O-] ZINC000032904422 525799008 /nfs/dbraw/zinc/79/90/08/525799008.db2.gz WETVKMUTFAIHIM-GFCCVEGCSA-N -1 3 420.391 3.482 50 0 HGAAHM O=C([N-]n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O)c1ccccc1Cl ZINC000040388257 527543399 /nfs/dbraw/zinc/54/33/99/527543399.db2.gz KDXKCVMWOKMOED-UHFFFAOYSA-N -1 3 416.828 3.144 50 0 HGAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nc2nc(C)cc(C(F)F)n2n1 ZINC000000648845 557037729 /nfs/dbraw/zinc/03/77/29/557037729.db2.gz GVKUGCOOPXMGFN-UHFFFAOYSA-N -1 3 409.418 3.478 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)c(C)c1 ZINC000000676439 557052912 /nfs/dbraw/zinc/05/29/12/557052912.db2.gz QNAKPEYSFCYKRG-UHFFFAOYSA-N -1 3 403.529 3.327 50 0 HGAAHM C[C@H](c1ccccc1)n1c(=O)[n-]nc1SCCS(=O)(=O)c1ccc(F)cc1 ZINC000001033881 557148769 /nfs/dbraw/zinc/14/87/69/557148769.db2.gz BHMIHJAEQAEVKK-CYBMUJFWSA-N -1 3 407.492 3.298 50 0 HGAAHM CCOc1ccc(C(C)=O)cc1COC(=O)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000010563847 557681932 /nfs/dbraw/zinc/68/19/32/557681932.db2.gz CYIFPFCIGXSRHO-UHFFFAOYSA-N -1 3 423.512 3.147 50 0 HGAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc(Cl)c1[O-] ZINC000006681954 557714896 /nfs/dbraw/zinc/71/48/96/557714896.db2.gz HLYYJMLLBVYGGK-QGZVFWFLSA-N -1 3 402.834 3.426 50 0 HGAAHM O=C([N-]N1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1)c1ccncc1 ZINC000008721019 557802088 /nfs/dbraw/zinc/80/20/88/557802088.db2.gz VGQINDZVVIKUPU-SSGKUCQKSA-N -1 3 423.472 3.465 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccnc2)cc1 ZINC000011859831 558289699 /nfs/dbraw/zinc/28/96/99/558289699.db2.gz PWQSEFAZOVLDGP-BHIFYINESA-N -1 3 415.449 3.450 50 0 HGAAHM CCN(CC)c1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000012631904 558442029 /nfs/dbraw/zinc/44/20/29/558442029.db2.gz LNQVJENFURFASY-UHFFFAOYSA-N -1 3 421.588 3.177 50 0 HGAAHM O=C(c1ccco1)N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000013117407 558516507 /nfs/dbraw/zinc/51/65/07/558516507.db2.gz JCGQTAHVSXGZRF-UHFFFAOYSA-N -1 3 420.494 3.203 50 0 HGAAHM CCc1ccc(C(=O)N2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)cc1 ZINC000023147997 558538647 /nfs/dbraw/zinc/53/86/47/558538647.db2.gz DQXDUYLMJFTNAH-UHFFFAOYSA-N -1 3 406.482 3.327 50 0 HGAAHM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1OCC ZINC000013672294 558562920 /nfs/dbraw/zinc/56/29/20/558562920.db2.gz CAJXCEAXUYLCEP-AWEZNQCLSA-N -1 3 406.504 3.347 50 0 HGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3cccc(Br)c3)n[nH]2)N1 ZINC000013959743 558608153 /nfs/dbraw/zinc/60/81/53/558608153.db2.gz YHLKKMJHEMWILG-CQSZACIVSA-N -1 3 417.185 3.312 50 0 HGAAHM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000024969963 558623070 /nfs/dbraw/zinc/62/30/70/558623070.db2.gz RFPMOEYAQDQKEU-UHFFFAOYSA-N -1 3 406.464 3.276 50 0 HGAAHM COc1ccc(NC(=O)c2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)cc1 ZINC000014227620 558639121 /nfs/dbraw/zinc/63/91/21/558639121.db2.gz HPDZXMRAVBDECQ-UHFFFAOYSA-N -1 3 420.469 3.219 50 0 HGAAHM CCCCc1nnc([N-]C(=O)c2cn(-c3ccccc3Br)nn2)s1 ZINC000028964782 558708036 /nfs/dbraw/zinc/70/80/36/558708036.db2.gz CQVLSONKDXHBJU-UHFFFAOYSA-N -1 3 407.297 3.476 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)COC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000015524922 558742354 /nfs/dbraw/zinc/74/23/54/558742354.db2.gz IJMHOHXMGQXIGY-UHFFFAOYSA-N -1 3 422.509 3.283 50 0 HGAAHM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CN(CC2CC2)C1=O ZINC000035887017 558795774 /nfs/dbraw/zinc/79/57/74/558795774.db2.gz VCKYDGIUHHYRPZ-ZDUSSCGKSA-N -1 3 404.463 3.146 50 0 HGAAHM CCCCCCNC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccco1 ZINC000004671611 558885856 /nfs/dbraw/zinc/88/58/56/558885856.db2.gz NKRQRDOKZVSKHX-SFHVURJKSA-N -1 3 408.520 3.394 50 0 HGAAHM O=C(NCCc1cscn1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091664728 559072920 /nfs/dbraw/zinc/07/29/20/559072920.db2.gz CAOGDFIOPCABIZ-UHFFFAOYSA-N -1 3 409.298 3.097 50 0 HGAAHM O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1cnc(-c2cccs2)[n-]c1=O ZINC000091769615 559073561 /nfs/dbraw/zinc/07/35/61/559073561.db2.gz YIHPRPMJGBZZBH-CYBMUJFWSA-N -1 3 400.529 3.367 50 0 HGAAHM CC(C)Oc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011450460 559076632 /nfs/dbraw/zinc/07/66/32/559076632.db2.gz FAUYLIHRZQLMAK-UHFFFAOYSA-N -1 3 408.545 3.118 50 0 HGAAHM COc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1Cl ZINC000004879928 559196141 /nfs/dbraw/zinc/19/61/41/559196141.db2.gz KUAJGBKDZFSRRL-HNNXBMFYSA-N -1 3 402.925 3.352 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(N3CCCS3(=O)=O)c2)c(C)c1 ZINC000005075838 559241051 /nfs/dbraw/zinc/24/10/51/559241051.db2.gz MVDAFGZJQYQOFM-UHFFFAOYSA-N -1 3 414.936 3.298 50 0 HGAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NC(=O)Cc1ccccc1 ZINC000002660747 560587385 /nfs/dbraw/zinc/58/73/85/560587385.db2.gz FBASBOMUWSKHSV-UHFFFAOYSA-N -1 3 402.476 3.398 50 0 HGAAHM O=c1[nH]c2cc(Br)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1 ZINC000018199388 560783724 /nfs/dbraw/zinc/78/37/24/560783724.db2.gz GQVVKCOGISXRSK-UHFFFAOYSA-N -1 3 402.657 3.073 50 0 HGAAHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1ccc(Br)s1 ZINC000012789592 560786615 /nfs/dbraw/zinc/78/66/15/560786615.db2.gz GTKZUSHXFFNSHA-UHFFFAOYSA-N -1 3 415.378 3.454 50 0 HGAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(Br)c1 ZINC000101211390 560790091 /nfs/dbraw/zinc/79/00/91/560790091.db2.gz JFBRZAOPWSNAJU-ZBFHGGJFSA-N -1 3 403.207 3.189 50 0 HGAAHM COc1ccc(OC)c(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c1 ZINC000101297052 560791020 /nfs/dbraw/zinc/79/10/20/560791020.db2.gz DNHMPFPDTHUJJO-WBVHZDCISA-N -1 3 421.236 3.303 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000051316706 560856490 /nfs/dbraw/zinc/85/64/90/560856490.db2.gz WCVUVFYNKJDASI-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000051316706 560856491 /nfs/dbraw/zinc/85/64/91/560856491.db2.gz WCVUVFYNKJDASI-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1F ZINC000051316704 560856531 /nfs/dbraw/zinc/85/65/31/560856531.db2.gz DIAKJNWJSGCHIN-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1F ZINC000051316704 560856532 /nfs/dbraw/zinc/85/65/32/560856532.db2.gz DIAKJNWJSGCHIN-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)cc1F ZINC000051316716 560856657 /nfs/dbraw/zinc/85/66/57/560856657.db2.gz HYZFTIKETLCWOD-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)cc1F ZINC000051316716 560856658 /nfs/dbraw/zinc/85/66/58/560856658.db2.gz HYZFTIKETLCWOD-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 HGAAHM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 ZINC000013115519 560884736 /nfs/dbraw/zinc/88/47/36/560884736.db2.gz PKQPXAKKMPEKAN-MBOZVWFJSA-N -1 3 422.403 3.484 50 0 HGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCN(C4CC4)C3)c2)c1 ZINC000048274827 568435507 /nfs/dbraw/zinc/43/55/07/568435507.db2.gz CWTQTXBSHUKIMA-LJQANCHMSA-N -1 3 413.543 3.071 50 0 HGAAHM Cc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1NC(=O)c1ccco1 ZINC000024882948 568475787 /nfs/dbraw/zinc/47/57/87/568475787.db2.gz UICPXMWIWIJKBW-UHFFFAOYSA-N -1 3 413.455 3.464 50 0 HGAAHM COc1ccc(CNC(=O)C(=C([O-])c2ccccc2)n2cc(Cl)ccc2=O)cc1 ZINC000000819387 568496657 /nfs/dbraw/zinc/49/66/57/568496657.db2.gz PWLWTQNWBIUUNF-FQEVSTJZSA-N -1 3 410.857 3.251 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H]3CCCCNC3=O)cc2)cc1 ZINC000225602760 568656137 /nfs/dbraw/zinc/65/61/37/568656137.db2.gz KVUWHAGKNIQQHM-INIZCTEOSA-N -1 3 415.515 3.041 50 0 HGAAHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000095941697 568662396 /nfs/dbraw/zinc/66/23/96/568662396.db2.gz SMNAIKGYBGNPJY-UHFFFAOYSA-N -1 3 423.450 3.209 50 0 HGAAHM COc1ccc(C)cc1NC(=O)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2 ZINC000096095763 568688683 /nfs/dbraw/zinc/68/86/83/568688683.db2.gz PGCDGJBWLCCORR-IJEWVQPXSA-N -1 3 421.544 3.038 50 0 HGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1O ZINC000096232204 568708043 /nfs/dbraw/zinc/70/80/43/568708043.db2.gz CLHUUXOTLYYHHH-YVEFUNNKSA-N -1 3 419.503 3.208 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2cccc(C)c2)[n-]c3=O)cc1 ZINC000002717917 568802627 /nfs/dbraw/zinc/80/26/27/568802627.db2.gz DPASVOOLBLTFCN-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012525930 568842886 /nfs/dbraw/zinc/84/28/86/568842886.db2.gz INXPVAWIXOVMLZ-HOTGVXAUSA-N -1 3 418.515 3.054 50 0 HGAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000012536278 568845810 /nfs/dbraw/zinc/84/58/10/568845810.db2.gz KMIHXTHZOVSMSE-UHFFFAOYSA-N -1 3 402.394 3.223 50 0 HGAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccs1 ZINC000058062245 568881951 /nfs/dbraw/zinc/88/19/51/568881951.db2.gz WORRQIPEVGQASW-SFHVURJKSA-N -1 3 417.556 3.183 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1Br ZINC000003368412 568889437 /nfs/dbraw/zinc/88/94/37/568889437.db2.gz PDYSEFFJGYJEDY-UHFFFAOYSA-N -1 3 411.321 3.395 50 0 HGAAHM Cc1csc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000012736432 568925472 /nfs/dbraw/zinc/92/54/72/568925472.db2.gz RGKBCAYIYGYTHV-INIZCTEOSA-N -1 3 419.503 3.119 50 0 HGAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000012772208 568952374 /nfs/dbraw/zinc/95/23/74/568952374.db2.gz ACEOMJHSEQBUKY-KRWDZBQOSA-N -1 3 415.342 3.345 50 0 HGAAHM COC[C@H](C)NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012778370 568956174 /nfs/dbraw/zinc/95/61/74/568956174.db2.gz XGENUBGDCTYUFB-STQMWFEESA-N -1 3 417.556 3.424 50 0 HGAAHM COC[C@H](C)NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012778362 568956188 /nfs/dbraw/zinc/95/61/88/568956188.db2.gz XGENUBGDCTYUFB-QWHCGFSZSA-N -1 3 417.556 3.424 50 0 HGAAHM COc1ccc(OCCCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012783922 568958851 /nfs/dbraw/zinc/95/88/51/568958851.db2.gz ATQUNQQWMBXGRD-UHFFFAOYSA-N -1 3 412.486 3.437 50 0 HGAAHM C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000008036093 568969798 /nfs/dbraw/zinc/96/97/98/568969798.db2.gz XJBCKJIGJRGJMU-NSHDSACASA-N -1 3 406.533 3.225 50 0 HGAAHM Cc1ccccc1-c1nc2scc(CC[N-]S(=O)(=O)c3cccs3)n2n1 ZINC000015783908 569003352 /nfs/dbraw/zinc/00/33/52/569003352.db2.gz NPBZTHFRRYOOCU-UHFFFAOYSA-N -1 3 404.542 3.349 50 0 HGAAHM CCN(CCNC(=O)CSc1nc2sccc2c(=O)[n-]1)c1cccc(C)c1 ZINC000008456978 569004096 /nfs/dbraw/zinc/00/40/96/569004096.db2.gz QUYFZRSEGUNQNZ-UHFFFAOYSA-N -1 3 402.545 3.028 50 0 HGAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000012856963 569011146 /nfs/dbraw/zinc/01/11/46/569011146.db2.gz KQRNUHFCEIZZSA-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012884835 569019414 /nfs/dbraw/zinc/01/94/14/569019414.db2.gz HBKGLJCUJDPMQA-UHFFFAOYSA-N -1 3 419.466 3.113 50 0 HGAAHM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000012926053 569023740 /nfs/dbraw/zinc/02/37/40/569023740.db2.gz WWMQZRMZCAGNJP-OKILXGFUSA-N -1 3 408.907 3.390 50 0 HGAAHM Cc1cc(C)n(-c2nc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)cs2)n1 ZINC000090609380 569042571 /nfs/dbraw/zinc/04/25/71/569042571.db2.gz YVLXRRYJGURHMH-UHFFFAOYSA-N -1 3 402.954 3.182 50 0 HGAAHM O=S(=O)([N-]CCn1c2ccccc2nc1-c1ccncc1)c1ccc(F)c(F)c1 ZINC000064888126 569115357 /nfs/dbraw/zinc/11/53/57/569115357.db2.gz WJORGNLXZVUXSA-UHFFFAOYSA-N -1 3 414.437 3.355 50 0 HGAAHM Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2C)nc2cc(=O)[n-]n21 ZINC000006915678 569182156 /nfs/dbraw/zinc/18/21/56/569182156.db2.gz QOPJBSVCCNQNIX-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(C)c2)cc1 ZINC000007362047 569235286 /nfs/dbraw/zinc/23/52/86/569235286.db2.gz OHLJFVMIXKLXGU-UHFFFAOYSA-N -1 3 418.515 3.196 50 0 HGAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000089780563 569264224 /nfs/dbraw/zinc/26/42/24/569264224.db2.gz AGJLQPJZXBLUME-UHFFFAOYSA-N -1 3 416.363 3.265 50 0 HGAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000089780563 569264225 /nfs/dbraw/zinc/26/42/25/569264225.db2.gz AGJLQPJZXBLUME-UHFFFAOYSA-N -1 3 416.363 3.265 50 0 HGAAHM CCCCS(=O)(=O)[N-]CC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000089954831 569270001 /nfs/dbraw/zinc/27/00/01/569270001.db2.gz XFFQHJURGLYPTL-MRXNPFEDSA-N -1 3 421.588 3.098 50 0 HGAAHM CCCOc1c(I)cc(C=C2SC(=O)[N-]C2=O)cc1OC ZINC000208435567 569292632 /nfs/dbraw/zinc/29/26/32/569292632.db2.gz MADWWCVOHVLYPD-YRNVUSSQSA-N -1 3 419.240 3.413 50 0 HGAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000238881510 571046483 /nfs/dbraw/zinc/04/64/83/571046483.db2.gz AIRJRZRRFRLGKT-VAMGGRTRSA-N -1 3 418.405 3.117 50 0 HGAAHM CCCOc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000008609128 571093707 /nfs/dbraw/zinc/09/37/07/571093707.db2.gz NVSWUEKLSULQGE-SFHVURJKSA-N -1 3 410.561 3.156 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccc(OCC)cc3)cc(C(C)C)nc21 ZINC000040063231 571148068 /nfs/dbraw/zinc/14/80/68/571148068.db2.gz PITZYRWIDTUWPE-UHFFFAOYSA-N -1 3 410.474 3.269 50 0 HGAAHM COc1ccccc1-c1nc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC000040088565 571158690 /nfs/dbraw/zinc/15/86/90/571158690.db2.gz KPAYZMBLDGAROH-ZDUSSCGKSA-N -1 3 401.467 3.066 50 0 HGAAHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCc2cccc(Cl)c2Cl)s1 ZINC000040093869 571161760 /nfs/dbraw/zinc/16/17/60/571161760.db2.gz ASOFWTGVUDUEHQ-UHFFFAOYSA-N -1 3 407.344 3.212 50 0 HGAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4ccc(F)c(F)c4F)s3)nc2n1 ZINC000040110713 571168934 /nfs/dbraw/zinc/16/89/34/571168934.db2.gz MSHDOWPMXFHWTA-UHFFFAOYSA-N -1 3 418.404 3.458 50 0 HGAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(OC)c1 ZINC000009151551 571230508 /nfs/dbraw/zinc/23/05/08/571230508.db2.gz VBGHBVNUTLFMKE-NSHDSACASA-N -1 3 424.906 3.456 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1CCCC1 ZINC000009426719 571257833 /nfs/dbraw/zinc/25/78/33/571257833.db2.gz NKSPZVZIBWFMSP-UHFFFAOYSA-N -1 3 408.907 3.450 50 0 HGAAHM O=C(O[C@@H]1CCCCC1=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000009491565 571262741 /nfs/dbraw/zinc/26/27/41/571262741.db2.gz PIOTXHVFMREGAJ-GOSISDBHSA-N -1 3 421.902 3.487 50 0 HGAAHM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]Cc1ccc(OC)cc1 ZINC000009646567 571276596 /nfs/dbraw/zinc/27/65/96/571276596.db2.gz PDQPGJNOKJDCIY-UHFFFAOYSA-N -1 3 409.460 3.314 50 0 HGAAHM O=C(COC(=O)c1ccc([O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003313940 132264393 /nfs/dbraw/zinc/26/43/93/132264393.db2.gz IPEUIQLRELOSOC-UHFFFAOYSA-N -1 3 424.375 3.043 50 0 HGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]CCC(C)C)cc21 ZINC000040450300 521155143 /nfs/dbraw/zinc/15/51/43/521155143.db2.gz KMMCRXOEDCZYCW-UHFFFAOYSA-N -1 3 403.342 3.073 50 0 HGAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000044890521 522419320 /nfs/dbraw/zinc/41/93/20/522419320.db2.gz UGWVNXBHRDWIKA-UHFFFAOYSA-N -1 3 416.883 3.330 50 0 HGAAHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000056909180 525512984 /nfs/dbraw/zinc/51/29/84/525512984.db2.gz JOZGUHHJDIZPBW-NSHDSACASA-N -1 3 407.517 3.492 50 0 HGAAHM O=C([N-]n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1cccnc1 ZINC000040397377 527541613 /nfs/dbraw/zinc/54/16/13/527541613.db2.gz XZCPPUNDQNAJND-UHFFFAOYSA-N -1 3 416.828 3.144 50 0 HGAAHM CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc([O-])ccc1Br ZINC000000683303 557057089 /nfs/dbraw/zinc/05/70/89/557057089.db2.gz YFDXPWJTESMHGF-QGZVFWFLSA-N -1 3 417.259 3.483 50 0 HGAAHM O=S(=O)([N-]Cc1cccnc1)c1cc(Br)ccc1Br ZINC000000863587 557104841 /nfs/dbraw/zinc/10/48/41/557104841.db2.gz CQTPEGNVIIRMML-UHFFFAOYSA-N -1 3 406.099 3.085 50 0 HGAAHM O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)[N-]N1C(=O)c2ccccc2C1=O ZINC000001003637 557140159 /nfs/dbraw/zinc/14/01/59/557140159.db2.gz CZBALTKBWCFMAL-UHFFFAOYSA-N -1 3 406.225 3.040 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000001174562 557226626 /nfs/dbraw/zinc/22/66/26/557226626.db2.gz OTVFRSHPRRINHZ-UHFFFAOYSA-N -1 3 403.241 3.491 50 0 HGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000001177714 557228709 /nfs/dbraw/zinc/22/87/09/557228709.db2.gz BXRYXVFDNXJBEX-ZDUSSCGKSA-N -1 3 400.818 3.073 50 0 HGAAHM CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002978052 557433791 /nfs/dbraw/zinc/43/37/91/557433791.db2.gz YZBUYKWDPSJSDJ-KRWDZBQOSA-N -1 3 402.834 3.383 50 0 HGAAHM CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002978052 557433794 /nfs/dbraw/zinc/43/37/94/557433794.db2.gz YZBUYKWDPSJSDJ-KRWDZBQOSA-N -1 3 402.834 3.383 50 0 HGAAHM CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002978053 557433838 /nfs/dbraw/zinc/43/38/38/557433838.db2.gz YZBUYKWDPSJSDJ-QGZVFWFLSA-N -1 3 402.834 3.383 50 0 HGAAHM CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002978053 557433840 /nfs/dbraw/zinc/43/38/40/557433840.db2.gz YZBUYKWDPSJSDJ-QGZVFWFLSA-N -1 3 402.834 3.383 50 0 HGAAHM CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000002996386 557438670 /nfs/dbraw/zinc/43/86/70/557438670.db2.gz DTULCRCPDFKMDU-UHFFFAOYSA-N -1 3 420.487 3.168 50 0 HGAAHM CCOC(=O)[C@@]([N-]c1cc(C)on1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138682 557450772 /nfs/dbraw/zinc/45/07/72/557450772.db2.gz AFGNKFXOJVZVIH-OAHLLOKOSA-N -1 3 405.760 3.300 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000004742449 557591130 /nfs/dbraw/zinc/59/11/30/557591130.db2.gz NJIAEWTXXNUKNU-UHFFFAOYSA-N -1 3 415.515 3.373 50 0 HGAAHM COc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(Br)c1[O-] ZINC000097376880 557748563 /nfs/dbraw/zinc/74/85/63/557748563.db2.gz IYJZRCMGJVGYMW-UHFFFAOYSA-N -1 3 405.292 3.121 50 0 HGAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc(Br)c1[O-] ZINC000008915526 557814204 /nfs/dbraw/zinc/81/42/04/557814204.db2.gz BOEJGGJNABFYCG-HNNXBMFYSA-N -1 3 416.227 3.445 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 ZINC000019819318 558289516 /nfs/dbraw/zinc/28/95/16/558289516.db2.gz GBZBSKFBLLIKAM-UHFFFAOYSA-N -1 3 409.467 3.094 50 0 HGAAHM O=C(c1cc2ccccc2o1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012429563 558404443 /nfs/dbraw/zinc/40/44/43/558404443.db2.gz YULCYMZKQUPIKW-CQSZACIVSA-N -1 3 404.513 3.325 50 0 HGAAHM Cc1ccccc1C(=O)N[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000012463027 558419680 /nfs/dbraw/zinc/41/96/80/558419680.db2.gz MUJKYIZCVHUAIO-OAHLLOKOSA-N -1 3 406.813 3.245 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012573111 558429701 /nfs/dbraw/zinc/42/97/01/558429701.db2.gz AGKVWJACTXAMQF-HNNXBMFYSA-N -1 3 408.430 3.111 50 0 HGAAHM O=C(c1cccc(O)c1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000072075938 558453289 /nfs/dbraw/zinc/45/32/89/558453289.db2.gz GAQUXHNDNHTJRA-UHFFFAOYSA-N -1 3 416.477 3.287 50 0 HGAAHM C[C@@H]1CO[P@](=O)([C@@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000022014898 558457747 /nfs/dbraw/zinc/45/77/47/558457747.db2.gz BNAILMRPGCYYNP-XTLFPSBJSA-N -1 3 408.627 3.290 50 0 HGAAHM O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)Nc1ncccc1[O-] ZINC000022265267 558475105 /nfs/dbraw/zinc/47/51/05/558475105.db2.gz ULEGGCVNTFWWNJ-UHFFFAOYSA-N -1 3 403.504 3.142 50 0 HGAAHM CSc1nc2ccc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)cc2s1 ZINC000022893921 558519133 /nfs/dbraw/zinc/51/91/33/558519133.db2.gz NFKRDIVAMYPAPW-UHFFFAOYSA-N -1 3 412.496 3.463 50 0 HGAAHM Cc1ccc(-c2csc3[n-]c(CN4CCN(C(=O)C5CC5)CC4)nc(=O)c23)s1 ZINC000024001985 558584406 /nfs/dbraw/zinc/58/44/06/558584406.db2.gz IPZITQRANBOMFM-UHFFFAOYSA-N -1 3 414.556 3.076 50 0 HGAAHM O=C(CCc1ccccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000025906144 558651903 /nfs/dbraw/zinc/65/19/03/558651903.db2.gz WMHOSXZEJFLSAS-UHFFFAOYSA-N -1 3 412.964 3.304 50 0 HGAAHM Cc1cc([N-]C(=O)[C@H](C)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)on1 ZINC000026601180 558663433 /nfs/dbraw/zinc/66/34/33/558663433.db2.gz LNRPYPOJAYMYJM-DLBZAZTESA-N -1 3 424.505 3.047 50 0 HGAAHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc3cccnc32)ccc1F ZINC000029454598 558715285 /nfs/dbraw/zinc/71/52/85/558715285.db2.gz MVRJNCOPMFXQRR-UHFFFAOYSA-N -1 3 415.490 3.033 50 0 HGAAHM Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000097940968 558945993 /nfs/dbraw/zinc/94/59/93/558945993.db2.gz LTDFUDGNMOPGNM-UHFFFAOYSA-N -1 3 422.894 3.443 50 0 HGAAHM COc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)C(C)C)c1 ZINC000097105759 558993989 /nfs/dbraw/zinc/99/39/89/558993989.db2.gz IJDQFPWCDWONOB-FQEVSTJZSA-N -1 3 415.515 3.400 50 0 HGAAHM COc1cc2[n-]cc(C(=O)N(C)[C@@H]3CCCN(c4ccccc4)C3)c(=O)c2cc1OC ZINC000097109066 558995160 /nfs/dbraw/zinc/99/51/60/558995160.db2.gz DXQRGGPPNBUSBX-QGZVFWFLSA-N -1 3 421.497 3.286 50 0 HGAAHM Cc1ccc(SCc2cc(=O)[n-]c(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1 ZINC000004818166 559115363 /nfs/dbraw/zinc/11/53/63/559115363.db2.gz FVACLMOLTWHMLS-UHFFFAOYSA-N -1 3 420.538 3.333 50 0 HGAAHM Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000004874114 559194949 /nfs/dbraw/zinc/19/49/49/559194949.db2.gz HSUGZSYRIOUKLH-LJQANCHMSA-N -1 3 414.552 3.263 50 0 HGAAHM CCCCc1ccc(NC(=O)CSc2[n-]c(=O)nc(C)c2C(=O)OCC)cc1 ZINC000005251675 560551406 /nfs/dbraw/zinc/55/14/06/560551406.db2.gz VDSBOYVLMDDVAQ-UHFFFAOYSA-N -1 3 403.504 3.328 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000017327131 560709126 /nfs/dbraw/zinc/70/91/26/560709126.db2.gz SOIMIRHOXRFLET-IRXDYDNUSA-N -1 3 402.516 3.354 50 0 HGAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc2c(c1)OCO2 ZINC000101264758 560790832 /nfs/dbraw/zinc/79/08/32/560790832.db2.gz NPQWSWSOALBRRO-ZBFHGGJFSA-N -1 3 405.193 3.015 50 0 HGAAHM COc1ccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c(OC)c1 ZINC000101358802 560792417 /nfs/dbraw/zinc/79/24/17/560792417.db2.gz VKUQRBISRFOJKN-DOTOQJQBSA-N -1 3 421.236 3.303 50 0 HGAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c1 ZINC000102707553 560820756 /nfs/dbraw/zinc/82/07/56/560820756.db2.gz BQIMYQISQAQYDN-BHIFYINESA-N -1 3 416.433 3.452 50 0 HGAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccccc2)cc1 ZINC000051316421 560856350 /nfs/dbraw/zinc/85/63/50/560856350.db2.gz CDWQFGMMSKAUPG-UHFFFAOYSA-N -1 3 421.482 3.238 50 0 HGAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccccc2)cc1 ZINC000051316421 560856351 /nfs/dbraw/zinc/85/63/51/560856351.db2.gz CDWQFGMMSKAUPG-UHFFFAOYSA-N -1 3 421.482 3.238 50 0 HGAAHM C[C@]1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000047383951 560886487 /nfs/dbraw/zinc/88/64/87/560886487.db2.gz YAVYJKFEEDYAKB-HSZRJFAPSA-N -1 3 400.438 3.419 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 ZINC000046074201 568426848 /nfs/dbraw/zinc/42/68/48/568426848.db2.gz JQVXYHGJOKZOJW-GFCCVEGCSA-N -1 3 406.895 3.380 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000046075484 568426955 /nfs/dbraw/zinc/42/69/55/568426955.db2.gz GPMPYILNHABHAF-ZDUSSCGKSA-N -1 3 400.504 3.343 50 0 HGAAHM COc1ccc(CNC(=O)C(=C([O-])c2ccccc2)n2cc(Cl)ccc2=O)cc1 ZINC000000819386 568496665 /nfs/dbraw/zinc/49/66/65/568496665.db2.gz PWLWTQNWBIUUNF-HXUWFJFHSA-N -1 3 410.857 3.251 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000828352 568500270 /nfs/dbraw/zinc/50/02/70/568500270.db2.gz IIUCJTDKJBIMTP-UHFFFAOYSA-N -1 3 408.435 3.297 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Cl ZINC000020154281 568590894 /nfs/dbraw/zinc/59/08/94/568590894.db2.gz BQAIOEKHJGLKGM-AWEZNQCLSA-N -1 3 418.993 3.118 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCOc3ccc(C)cc3)c2)S1 ZINC000020896459 568649134 /nfs/dbraw/zinc/64/91/34/568649134.db2.gz BPARBQHSWPDOSY-FQEVSTJZSA-N -1 3 413.499 3.454 50 0 HGAAHM C[C@H](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2n1C ZINC000096222182 568705428 /nfs/dbraw/zinc/70/54/28/568705428.db2.gz MMJCLTCRLDYVNP-ZDUSSCGKSA-N -1 3 423.469 3.279 50 0 biogenic HGAAHM COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000021651539 568729364 /nfs/dbraw/zinc/72/93/64/568729364.db2.gz KYJGLSXNZOTFHO-QGZVFWFLSA-N -1 3 416.524 3.285 50 0 HGAAHM COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1[N-]C(=O)c1cnccn1 ZINC000001002397 568762202 /nfs/dbraw/zinc/76/22/02/568762202.db2.gz FJHIYQBBVFCULU-UHFFFAOYSA-N -1 3 410.455 3.446 50 0 HGAAHM COC(=O)c1sccc1[N-]C(=O)c1nc(C)n(-c2ccc(OC(F)F)cc2)n1 ZINC000261490576 568819932 /nfs/dbraw/zinc/81/99/32/568819932.db2.gz KKAXJWVXDSWPQZ-UHFFFAOYSA-N -1 3 408.386 3.278 50 0 HGAAHM Cc1cc2nc(SCC(=O)Nc3ccc(Br)c(C)c3)[n-]c(=O)c2[nH]1 ZINC000057521144 568850024 /nfs/dbraw/zinc/85/00/24/568850024.db2.gz VPUUPSFWLRNLRR-UHFFFAOYSA-N -1 3 407.293 3.361 50 0 HGAAHM COc1cccc(OC)c1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000003305708 568853497 /nfs/dbraw/zinc/85/34/97/568853497.db2.gz WDHIPCSPVIFCNI-LLVKDONJSA-N -1 3 414.483 3.484 50 0 HGAAHM COc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1OC ZINC000003450507 568905536 /nfs/dbraw/zinc/90/55/36/568905536.db2.gz YIKHDRYQVZJUKZ-UHFFFAOYSA-N -1 3 410.459 3.134 50 0 HGAAHM Cc1ccc(S(=O)(=O)[C@@H](C[N-]S(=O)(=O)c2cccs2)c2ccco2)cc1 ZINC000004519394 568919823 /nfs/dbraw/zinc/91/98/23/568919823.db2.gz KOLQMOFLZZQEEA-INIZCTEOSA-N -1 3 411.526 3.143 50 0 HGAAHM CN(C)c1ccc2c3c1c(N(C)C)ccc3[C@](O)(C(F)(F)F)O[C@@]2([O-])C(F)(F)F ZINC000001410042 568929202 /nfs/dbraw/zinc/92/92/02/568929202.db2.gz SXCCOVAVNCTXKR-HZPDHXFCSA-N -1 3 424.341 3.417 50 0 HGAAHM CCCCCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000012743019 568930065 /nfs/dbraw/zinc/93/00/65/568930065.db2.gz ZILHTOFPOMPGTN-IBGZPJMESA-N -1 3 406.523 3.412 50 0 HGAAHM COc1ccc(CCN2C(=O)N(C(C)C)[C@H](N([O-])C(=O)NC(C)C)C2(C)C)cc1 ZINC000003985300 568931198 /nfs/dbraw/zinc/93/11/98/568931198.db2.gz CXYKMWFEXVHREA-GOSISDBHSA-N -1 3 406.527 3.298 50 0 biogenic HGAAHM CCOc1cc(C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)cc(OCC)c1OCC ZINC000004124138 568945159 /nfs/dbraw/zinc/94/51/59/568945159.db2.gz TVVMKXCMHCFBPE-QGZVFWFLSA-N -1 3 404.385 3.355 50 0 HGAAHM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccco4)o3)cc2)C1 ZINC000004264616 568956071 /nfs/dbraw/zinc/95/60/71/568956071.db2.gz JPBWMQXCFJRMKJ-CYBMUJFWSA-N -1 3 416.459 3.003 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000007986598 568964810 /nfs/dbraw/zinc/96/48/10/568964810.db2.gz NNPDITMUQOSOIH-GJYPPUQNSA-N -1 3 408.376 3.141 50 0 HGAAHM CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000015732596 568982792 /nfs/dbraw/zinc/98/27/92/568982792.db2.gz JWTFUGDBBKWYKN-UHFFFAOYSA-N -1 3 405.483 3.378 50 0 HGAAHM O=C(NCc1ccccn1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000008289919 568987805 /nfs/dbraw/zinc/98/78/05/568987805.db2.gz WSSYAYZDCSIPER-UHFFFAOYSA-N -1 3 401.875 3.466 50 0 HGAAHM Cc1c(CC[N-]S(=O)(=O)c2cccs2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000015823599 569011092 /nfs/dbraw/zinc/01/10/92/569011092.db2.gz XFTHLYBVSAGSIQ-UHFFFAOYSA-N -1 3 422.532 3.488 50 0 HGAAHM O=C(COC(=O)c1ccc([N-]S(=O)(=O)C=Cc2ccccc2)cc1)c1ccc[nH]1 ZINC000007778505 569031783 /nfs/dbraw/zinc/03/17/83/569031783.db2.gz RIQMBRNTGZBHMM-WYMLVPIESA-N -1 3 410.451 3.467 50 0 HGAAHM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)C1 ZINC000016690066 569070640 /nfs/dbraw/zinc/07/06/40/569070640.db2.gz QUXMOPZEVORLNA-WBVHZDCISA-N -1 3 414.531 3.423 50 0 HGAAHM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC000006887843 569171423 /nfs/dbraw/zinc/17/14/23/569171423.db2.gz VFEVSVKKSWAYIH-UHFFFAOYSA-N -1 3 405.520 3.205 50 0 HGAAHM CN(C)Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000006983485 569195820 /nfs/dbraw/zinc/19/58/20/569195820.db2.gz WEDCVMODUWUOLF-UHFFFAOYSA-N -1 3 423.538 3.479 50 0 HGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Nc2cc(F)cc(F)c2)C3)cc1 ZINC000065260331 569209652 /nfs/dbraw/zinc/20/96/52/569209652.db2.gz LXSWLUXIVOJSTO-UHFFFAOYSA-N -1 3 412.396 3.314 50 0 HGAAHM COc1ccc([C@@H]2CC(c3ccccc3[O-])=NC3(CCN(C(C)=O)CC3)N2)cc1OC ZINC000065298567 569219342 /nfs/dbraw/zinc/21/93/42/569219342.db2.gz JOXGHOBYAUTJJL-IBGZPJMESA-N -1 3 423.513 3.272 50 0 biogenic HGAAHM COc1ccc(OC)c(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c1 ZINC000007428417 569238651 /nfs/dbraw/zinc/23/86/51/569238651.db2.gz FCXYFHWRNYMKFQ-UHFFFAOYSA-N -1 3 411.789 3.076 50 0 HGAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)c2cccc(F)c2)c(OC)c1)C(F)(F)F ZINC000002275919 569327888 /nfs/dbraw/zinc/32/78/88/569327888.db2.gz XGHOUHREUBHFCJ-KRWDZBQOSA-N -1 3 401.312 3.010 50 0 HGAAHM COc1ccc2[n-]cc(C(=O)N[C@H](CCSC)c3nnc4ccccn43)c(=O)c2c1 ZINC000253496393 569381804 /nfs/dbraw/zinc/38/18/04/569381804.db2.gz JSKMNKLRZAZDFW-QGZVFWFLSA-N -1 3 423.498 3.216 50 0 HGAAHM CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1[O-] ZINC000008653999 571098448 /nfs/dbraw/zinc/09/84/48/571098448.db2.gz VUWJCUXIBOSWSZ-DHDCSXOGSA-N -1 3 417.284 3.324 50 0 HGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(F)cc3)C[C@]2([O-])C(F)(F)F)n1 ZINC000008752041 571112493 /nfs/dbraw/zinc/11/24/93/571112493.db2.gz RVTZZGNPEGKJTH-HNNXBMFYSA-N -1 3 403.357 3.324 50 0 HGAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccc(F)cc1 ZINC000008768087 571115973 /nfs/dbraw/zinc/11/59/73/571115973.db2.gz JUFPRLFJKZTFPB-INIZCTEOSA-N -1 3 409.417 3.279 50 0 HGAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1cccc(C)c1 ZINC000008971990 571197174 /nfs/dbraw/zinc/19/71/74/571197174.db2.gz PLQKCZKOKIYXQU-QGZVFWFLSA-N -1 3 405.454 3.448 50 0 HGAAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040154825 571202136 /nfs/dbraw/zinc/20/21/36/571202136.db2.gz IANPBEJLUPEVGR-LBPRGKRZSA-N -1 3 417.395 3.136 50 0 HGAAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040154825 571202140 /nfs/dbraw/zinc/20/21/40/571202140.db2.gz IANPBEJLUPEVGR-LBPRGKRZSA-N -1 3 417.395 3.136 50 0 HGAAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040154825 571202144 /nfs/dbraw/zinc/20/21/44/571202144.db2.gz IANPBEJLUPEVGR-LBPRGKRZSA-N -1 3 417.395 3.136 50 0 HGAAHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040267231 571214341 /nfs/dbraw/zinc/21/43/41/571214341.db2.gz YVUQAQDNLYXGAZ-GFCCVEGCSA-N -1 3 409.833 3.231 50 0 HGAAHM CSc1ccc(CCNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000009528471 571266160 /nfs/dbraw/zinc/26/61/60/571266160.db2.gz MJZFBQAXQPSDEK-KRWDZBQOSA-N -1 3 412.602 3.132 50 0 HGAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)Nc1ccc2c(c1)OCO2 ZINC000009600100 571272835 /nfs/dbraw/zinc/27/28/35/571272835.db2.gz ZKHGOPCSXKVXPK-UHFFFAOYSA-N -1 3 420.497 3.311 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(C)cc3)s2)on1 ZINC000009688816 571280231 /nfs/dbraw/zinc/28/02/31/571280231.db2.gz UFQUWJMXJHGQFW-UHFFFAOYSA-N -1 3 406.485 3.367 50 0 HGAAHM CCOC(=O)C[C@H](c1ccc(-c2ccccc2F)o1)c1oc(CO)cc(=O)c1[O-] ZINC000071279409 571290348 /nfs/dbraw/zinc/29/03/48/571290348.db2.gz WIMCCKJYTUKDFA-CQSZACIVSA-N -1 3 402.374 3.322 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000040454472 526555457 /nfs/dbraw/zinc/55/54/57/526555457.db2.gz RFHNQPSQROXZAZ-SFHVURJKSA-N -1 3 410.499 3.289 50 0 HGAAHM O=S(=O)([N-]CC1CCN(c2ccccn2)CC1)c1ccc(Br)s1 ZINC000043955352 527213803 /nfs/dbraw/zinc/21/38/03/527213803.db2.gz YCHZOEAGXNUVGA-UHFFFAOYSA-N -1 3 416.366 3.101 50 0 HGAAHM O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)[N-]c1cc(-c2cccc(F)c2)no1 ZINC000020557187 527423282 /nfs/dbraw/zinc/42/32/82/527423282.db2.gz XQEAMDHDSWDWGK-UHFFFAOYSA-N -1 3 403.373 3.311 50 0 HGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022626252 557081339 /nfs/dbraw/zinc/08/13/39/557081339.db2.gz XONRSEMPUHXCAA-QGZVFWFLSA-N -1 3 414.531 3.478 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O ZINC000001121751 557191659 /nfs/dbraw/zinc/19/16/59/557191659.db2.gz ZYKDFLVHFKTZGA-UHFFFAOYSA-N -1 3 422.462 3.292 50 0 HGAAHM O=c1c2c[n-]nc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 ZINC000033292191 557313480 /nfs/dbraw/zinc/31/34/80/557313480.db2.gz FQLBKCJEXDTMOP-UHFFFAOYSA-N -1 3 402.439 3.451 50 0 HGAAHM O=c1c2cn[n-]c2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 ZINC000033292191 557313483 /nfs/dbraw/zinc/31/34/83/557313483.db2.gz FQLBKCJEXDTMOP-UHFFFAOYSA-N -1 3 402.439 3.451 50 0 HGAAHM CCOC(=O)[C@]([N-]c1cc(C)on1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138683 557450738 /nfs/dbraw/zinc/45/07/38/557450738.db2.gz AFGNKFXOJVZVIH-HNNXBMFYSA-N -1 3 405.760 3.300 50 0 HGAAHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(I)cc2)cc1 ZINC000005045009 557629213 /nfs/dbraw/zinc/62/92/13/557629213.db2.gz VDAFIVMTDIEELJ-UHFFFAOYSA-N -1 3 402.257 3.158 50 0 HGAAHM COc1cccc(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3[O-])C2)c1OC ZINC000009856686 557850409 /nfs/dbraw/zinc/85/04/09/557850409.db2.gz YSDBVGRRRTVTDQ-INIZCTEOSA-N -1 3 421.247 3.304 50 0 HGAAHM CCCOc1c(I)cc(C=C2SC(=O)[N-]C2=O)cc1OC ZINC000019892869 558303494 /nfs/dbraw/zinc/30/34/94/558303494.db2.gz MADWWCVOHVLYPD-XFFZJAGNSA-N -1 3 419.240 3.413 50 0 HGAAHM O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-])NCCCN1CCOCC1 ZINC000020001420 558317847 /nfs/dbraw/zinc/31/78/47/558317847.db2.gz RAJZCWMYQBWRSA-IBGZPJMESA-N -1 3 402.922 3.406 50 0 HGAAHM O=C(N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000012612903 558439223 /nfs/dbraw/zinc/43/92/23/558439223.db2.gz RIPIBHDSMBNBOS-SIHNGCNOSA-N -1 3 422.616 3.481 50 0 HGAAHM CCCn1c2ccccc2nc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000022284825 558476112 /nfs/dbraw/zinc/47/61/12/558476112.db2.gz WMHHODZCSFGHSQ-KRWDZBQOSA-N -1 3 420.560 3.449 50 0 HGAAHM COc1ccccc1NC(=O)N1CCc2nc(Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000004382846 558484210 /nfs/dbraw/zinc/48/42/10/558484210.db2.gz NJVYYVFAPRZKOG-UHFFFAOYSA-N -1 3 408.433 3.099 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000012977168 558491995 /nfs/dbraw/zinc/49/19/95/558491995.db2.gz NHRPJTQHLJFVRN-INIZCTEOSA-N -1 3 421.548 3.015 50 0 HGAAHM COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3[O-])C2=O)cc1OC ZINC000013658588 558559322 /nfs/dbraw/zinc/55/93/22/558559322.db2.gz YPMRRCXXBQIQTK-YVLHZVERSA-N -1 3 414.439 3.084 50 0 HGAAHM Cc1sc2[n-]c(CN3CCN(C(=O)C4CC4)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023864968 558578406 /nfs/dbraw/zinc/57/84/06/558578406.db2.gz VLKXWVRMACKRBR-UHFFFAOYSA-N -1 3 422.554 3.323 50 0 HGAAHM O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(Cl)cc1Cl ZINC000013723096 558583062 /nfs/dbraw/zinc/58/30/62/558583062.db2.gz UZLVQDNENNHIQG-UHFFFAOYSA-N -1 3 414.252 3.346 50 0 HGAAHM Cc1ccc(CNC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012447707 558591325 /nfs/dbraw/zinc/59/13/25/558591325.db2.gz OTBFSZPIOPCOBI-UHFFFAOYSA-N -1 3 419.510 3.134 50 0 biogenic,in-vitro HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(Cc3ccccc3)C3CC3)cc(C(C)C)nc21 ZINC000024472664 558598596 /nfs/dbraw/zinc/59/85/96/558598596.db2.gz MOHKXRJBHIOYOS-UHFFFAOYSA-N -1 3 420.513 3.423 50 0 HGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccccc1F ZINC000014094584 558619534 /nfs/dbraw/zinc/61/95/34/558619534.db2.gz LOKPCNKVQAFFCL-GFCCVEGCSA-N -1 3 409.446 3.367 50 0 HGAAHM Cc1cc2ccccc2n1CC(=O)O[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000025191241 558634416 /nfs/dbraw/zinc/63/44/16/558634416.db2.gz WOOCGKHJVAMRAX-HNNXBMFYSA-N -1 3 414.483 3.136 50 0 HGAAHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)on1 ZINC000026601176 558663413 /nfs/dbraw/zinc/66/34/13/558663413.db2.gz LNRPYPOJAYMYJM-IAGOWNOFSA-N -1 3 424.505 3.047 50 0 HGAAHM COc1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc(Cl)c1[O-] ZINC000015076022 558716599 /nfs/dbraw/zinc/71/65/99/558716599.db2.gz ZICSRKVKEQBJPE-QGZVFWFLSA-N -1 3 410.942 3.342 50 0 HGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000015882059 558760599 /nfs/dbraw/zinc/76/05/99/558760599.db2.gz OIRHGEFDVZPFKC-UHFFFAOYSA-N -1 3 420.498 3.163 50 0 HGAAHM Cc1nc(C(=O)OCc2cc(=O)oc3c(C)c([O-])ccc23)nn1-c1ccc(F)cc1 ZINC000016398560 558789425 /nfs/dbraw/zinc/78/94/25/558789425.db2.gz DSOKCWWUWXBFFW-UHFFFAOYSA-N -1 3 409.373 3.192 50 0 HGAAHM O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000017091658 558820201 /nfs/dbraw/zinc/82/02/01/558820201.db2.gz WRNCKWSGWHKDHV-GFCCVEGCSA-N -1 3 418.725 3.292 50 0 HGAAHM Cc1ccc(F)c([N-]C(=O)c2sccc2S(=O)(=O)N2CCSCC2)c1 ZINC000072042744 558930748 /nfs/dbraw/zinc/93/07/48/558930748.db2.gz SEQFAWOQZROSAH-UHFFFAOYSA-N -1 3 400.522 3.185 50 0 HGAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2c(Br)c3ccccc3n2C)on1 ZINC000046410695 558932753 /nfs/dbraw/zinc/93/27/53/558932753.db2.gz LDJKGHNMIUQLFJ-JTQLQIEISA-N -1 3 406.236 3.421 50 0 HGAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)NC1CCCCC1 ZINC000021810316 558953348 /nfs/dbraw/zinc/95/33/48/558953348.db2.gz ODFBAESRUAFQNJ-UHFFFAOYSA-N -1 3 412.559 3.282 50 0 HGAAHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2Cl)c1 ZINC000065362476 558973246 /nfs/dbraw/zinc/97/32/46/558973246.db2.gz HEDNWIDJLGJHAF-UHFFFAOYSA-N -1 3 421.950 3.273 50 0 HGAAHM Cc1c2ccccc2oc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449705 559076533 /nfs/dbraw/zinc/07/65/33/559076533.db2.gz LMGZLBATITZEBR-UHFFFAOYSA-N -1 3 404.513 3.386 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000100722331 559138480 /nfs/dbraw/zinc/13/84/80/559138480.db2.gz CAKLGVMOEACNNO-QHAWAJNXSA-N -1 3 401.422 3.141 50 0 HGAAHM CCS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)s3)o2)cc1 ZINC000011694688 559188338 /nfs/dbraw/zinc/18/83/38/559188338.db2.gz XHBPYPBVDUXLBG-UHFFFAOYSA-N -1 3 411.892 3.421 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004863241 559193336 /nfs/dbraw/zinc/19/33/36/559193336.db2.gz KJWYRZHDCVSPKG-WBVHZDCISA-N -1 3 402.237 3.317 50 0 HGAAHM Cc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000004880207 559196299 /nfs/dbraw/zinc/19/62/99/559196299.db2.gz PHUNYNUUXSASKS-LJQANCHMSA-N -1 3 400.525 3.393 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012461627 560211975 /nfs/dbraw/zinc/21/19/75/560211975.db2.gz ROFMJKYNXUUSHL-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 biogenic,in-vitro HGAAHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nc3c2nc[n-]c3=O)cc1 ZINC000012462132 560212017 /nfs/dbraw/zinc/21/20/17/560212017.db2.gz ORYKUJWQQIAIMG-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 biogenic,in-vitro HGAAHM CCOC([O-])=NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C ZINC000006365710 560560405 /nfs/dbraw/zinc/56/04/05/560560405.db2.gz WLEBLPUTTFOJHL-UHFFFAOYSA-N -1 3 411.487 3.311 50 0 HGAAHM CCOC(=O)[N-]C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C ZINC000006365710 560560407 /nfs/dbraw/zinc/56/04/07/560560407.db2.gz WLEBLPUTTFOJHL-UHFFFAOYSA-N -1 3 411.487 3.311 50 0 HGAAHM COc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)c1 ZINC000005343060 560568027 /nfs/dbraw/zinc/56/80/27/560568027.db2.gz QMGURYPYNPIVBY-HXUWFJFHSA-N -1 3 413.861 3.290 50 0 HGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000017286990 560705772 /nfs/dbraw/zinc/70/57/72/560705772.db2.gz MTZONXJQGSBVKP-UHFFFAOYSA-N -1 3 412.508 3.119 50 0 HGAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc(C)c3)ccc21 ZINC000017287040 560705824 /nfs/dbraw/zinc/70/58/24/560705824.db2.gz RYRIFGCDZZFKBC-UHFFFAOYSA-N -1 3 408.545 3.288 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(-c2ccsc2)cc1 ZINC000585148204 560741817 /nfs/dbraw/zinc/74/18/17/560741817.db2.gz ZMWIBDPLMUWEIP-OAHLLOKOSA-N -1 3 423.537 3.275 50 0 HGAAHM COc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795898 560801324 /nfs/dbraw/zinc/80/13/24/560801324.db2.gz BDNCZSSIGQQYJJ-UHFFFAOYSA-N -1 3 410.865 3.304 50 0 HGAAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000102709900 560820902 /nfs/dbraw/zinc/82/09/02/560820902.db2.gz CAUKAGFZMJWBNQ-BHDDXSALSA-N -1 3 416.433 3.452 50 0 HGAAHM COc1ccc(C)cc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000051316692 560856437 /nfs/dbraw/zinc/85/64/37/560856437.db2.gz LVFOYPZMWNWBAP-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 HGAAHM COc1ccc(C)cc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000051316692 560856439 /nfs/dbraw/zinc/85/64/39/560856439.db2.gz LVFOYPZMWNWBAP-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 HGAAHM O=c1oc2ccccc2c(N2CCCC2)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000045962154 568422949 /nfs/dbraw/zinc/42/29/49/568422949.db2.gz KICFPYQLZGEWBT-UHFFFAOYSA-N -1 3 406.410 3.472 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000046074189 568426787 /nfs/dbraw/zinc/42/67/87/568426787.db2.gz PVZSTFHOSMCRTI-SNVBAGLBSA-N -1 3 406.895 3.380 50 0 HGAAHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074529 568427050 /nfs/dbraw/zinc/42/70/50/568427050.db2.gz APNUDLHKLXFLDK-HNNXBMFYSA-N -1 3 420.494 3.435 50 0 HGAAHM COC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]C(=O)c1ccc(Br)o1 ZINC000000689124 568461793 /nfs/dbraw/zinc/46/17/93/568461793.db2.gz HWNNJUFJXPNUSG-UHFFFAOYSA-N -1 3 415.265 3.153 50 0 HGAAHM Cn1cccc1[C@H](C[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 ZINC000021153414 568462071 /nfs/dbraw/zinc/46/20/71/568462071.db2.gz BJVPSVPKYCHGJM-IBGZPJMESA-N -1 3 401.557 3.165 50 0 HGAAHM COc1cc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020271165 568596435 /nfs/dbraw/zinc/59/64/35/568596435.db2.gz YAFLTSYZQRLUQS-SFHVURJKSA-N -1 3 420.937 3.132 50 0 HGAAHM COc1ccc2[nH]c(=O)c([C@@H]3SCC(=O)Nc4c3c(=O)[n-]n4C(C)C)cc2c1 ZINC000095479557 568632524 /nfs/dbraw/zinc/63/25/24/568632524.db2.gz IPGXZSYRNMHVSH-INIZCTEOSA-N -1 3 400.460 3.032 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCOc3cccc(C)c3)c2)S1 ZINC000020896476 568649122 /nfs/dbraw/zinc/64/91/22/568649122.db2.gz PCWKLSXXRSADEA-FQEVSTJZSA-N -1 3 413.499 3.454 50 0 HGAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1O ZINC000096232201 568708179 /nfs/dbraw/zinc/70/81/79/568708179.db2.gz CLHUUXOTLYYHHH-PXAZEXFGSA-N -1 3 419.503 3.208 50 0 HGAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000096248648 568709835 /nfs/dbraw/zinc/70/98/35/568709835.db2.gz VVOFFSPYAAMNGE-SREVYHEPSA-N -1 3 408.863 3.135 50 0 HGAAHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000241587930 568731583 /nfs/dbraw/zinc/73/15/83/568731583.db2.gz OYFKKZAPHYAAMJ-LLVKDONJSA-N -1 3 407.332 3.009 50 0 HGAAHM COc1cc([C@H](c2sc3ncnn3c2[O-])N2CCC(C)CC2)cc(OC)c1OC ZINC000022609941 568771937 /nfs/dbraw/zinc/77/19/37/568771937.db2.gz YLAKGTZHKRVOOQ-MRXNPFEDSA-N -1 3 418.519 3.344 50 0 HGAAHM COc1ccc(-c2csc3[n-]c(CC(=O)N4CCCCC4)nc(=O)c23)cc1OC ZINC000002643562 568794443 /nfs/dbraw/zinc/79/44/43/568794443.db2.gz ZNBQRILBJBNIFN-UHFFFAOYSA-N -1 3 413.499 3.224 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)cnc21 ZINC000029636251 568828188 /nfs/dbraw/zinc/82/81/88/568828188.db2.gz ZFEVUSSPEWBAAE-UHFFFAOYSA-N -1 3 424.791 3.002 50 0 HGAAHM CC[C@@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1 ZINC000006004713 568834921 /nfs/dbraw/zinc/83/49/21/568834921.db2.gz NNSRIMAMMOPXSX-CQSZACIVSA-N -1 3 415.494 3.131 50 0 HGAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000031618186 568836941 /nfs/dbraw/zinc/83/69/41/568836941.db2.gz DKVXUEHUAKMMIQ-UHFFFAOYSA-N -1 3 409.467 3.263 50 0 HGAAHM CCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 ZINC000003660414 568867195 /nfs/dbraw/zinc/86/71/95/568867195.db2.gz HWIAAGPFXHCQJS-UHFFFAOYSA-N -1 3 412.471 3.026 50 0 HGAAHM COc1ccc(CCN2C(=O)N(C(C)C)[C@@H](N([O-])C(=O)NC(C)C)C2(C)C)cc1 ZINC000003985301 568931164 /nfs/dbraw/zinc/93/11/64/568931164.db2.gz CXYKMWFEXVHREA-SFHVURJKSA-N -1 3 406.527 3.298 50 0 biogenic HGAAHM Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccccc2)c1 ZINC000004061389 568937243 /nfs/dbraw/zinc/93/72/43/568937243.db2.gz IPJOYMOJHLOZPV-UHFFFAOYSA-N -1 3 419.510 3.144 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)cc(C)c1N(Cc1ccccc1)C2=O ZINC000012776323 568954738 /nfs/dbraw/zinc/95/47/38/568954738.db2.gz YEJUITQGBFGCCR-JOCHJYFZSA-N -1 3 422.510 3.005 50 0 HGAAHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000004264622 568956053 /nfs/dbraw/zinc/95/60/53/568956053.db2.gz CYTYQVPACRJHSZ-ZDUSSCGKSA-N -1 3 416.459 3.145 50 0 HGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1cc(Cl)ccc1F ZINC000012795397 568976092 /nfs/dbraw/zinc/97/60/92/568976092.db2.gz NPXXJJYHCMPECH-UHFFFAOYSA-N -1 3 405.857 3.474 50 0 HGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Br)cc2F)ccc1F ZINC000012823165 569006768 /nfs/dbraw/zinc/00/67/68/569006768.db2.gz TXCXYICIMKOZFU-UHFFFAOYSA-N -1 3 405.220 3.351 50 0 HGAAHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)C[C@@H](C)O1 ZINC000012851048 569010499 /nfs/dbraw/zinc/01/04/99/569010499.db2.gz XOPCLHJVZUKJRI-ZIAGYGMSSA-N -1 3 408.907 3.390 50 0 HGAAHM O=C(CCc1c[nH]c2ccccc12)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012862613 569011896 /nfs/dbraw/zinc/01/18/96/569011896.db2.gz KAMIBTKCKJWXDU-UHFFFAOYSA-N -1 3 417.556 3.132 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000012949190 569029366 /nfs/dbraw/zinc/02/93/66/569029366.db2.gz HLVMNDZOVSEUOB-ZDUSSCGKSA-N -1 3 411.483 3.168 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c(Br)c1 ZINC000026541500 569032939 /nfs/dbraw/zinc/03/29/39/569032939.db2.gz YNLXJCBGNUSIDK-UHFFFAOYSA-N -1 3 403.685 3.311 50 0 HGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)N1 ZINC000006394247 569046562 /nfs/dbraw/zinc/04/65/62/569046562.db2.gz JMGCCARUHAHHPU-CYBMUJFWSA-N -1 3 400.735 3.211 50 0 HGAAHM Cc1nnc(=O)[n-]c1NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000252477983 569059492 /nfs/dbraw/zinc/05/94/92/569059492.db2.gz ZBLJBOUQAJVVLH-UHFFFAOYSA-N -1 3 414.263 3.261 50 0 HGAAHM COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(C)c4[O-])C3)C2=O)c1 ZINC000426465525 569073074 /nfs/dbraw/zinc/07/30/74/569073074.db2.gz XESMQJJAVHIYCO-DEOSSOPVSA-N -1 3 408.498 3.364 50 0 HGAAHM CCOc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(CO)ccc32)CC1 ZINC000036353203 569147693 /nfs/dbraw/zinc/14/76/93/569147693.db2.gz FFWXGXBNFPLDDY-JOCHJYFZSA-N -1 3 409.486 3.007 50 0 HGAAHM Cc1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)c(C)c1 ZINC000064991769 569149208 /nfs/dbraw/zinc/14/92/08/569149208.db2.gz FBQOIRAZRKYKCH-UHFFFAOYSA-N -1 3 420.491 3.025 50 0 HGAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000006915712 569180983 /nfs/dbraw/zinc/18/09/83/569180983.db2.gz NRBRJNHDVLLWIX-UHFFFAOYSA-N -1 3 409.446 3.263 50 0 HGAAHM O=S(=O)([N-]CCN1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000036700131 569222439 /nfs/dbraw/zinc/22/24/39/569222439.db2.gz LLIDONQTMQHGFJ-QGZVFWFLSA-N -1 3 415.342 3.345 50 0 HGAAHM Cc1cc(C(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)n1C1CC1 ZINC000007227534 569229587 /nfs/dbraw/zinc/22/95/87/569229587.db2.gz GBHHMJPZQFVHSI-CQSZACIVSA-N -1 3 404.488 3.240 50 0 HGAAHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000170624050 569249973 /nfs/dbraw/zinc/24/99/73/569249973.db2.gz ISANOTXZLZEZMR-UHFFFAOYSA-N -1 3 420.288 3.091 50 0 HGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000014372513 569259756 /nfs/dbraw/zinc/25/97/56/569259756.db2.gz NFECHYFJOVAWHJ-UHFFFAOYSA-N -1 3 423.498 3.001 50 0 HGAAHM CSCC[C@@H](NC(=O)c1c[n-]c2ccc(F)cc2c1=O)c1nnc2ccccn21 ZINC000253496519 569381890 /nfs/dbraw/zinc/38/18/90/569381890.db2.gz KJZGVZGJNJNXQK-MRXNPFEDSA-N -1 3 411.462 3.346 50 0 HGAAHM O=C1C[C@@H](c2ccc(Br)cc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655761 569389898 /nfs/dbraw/zinc/38/98/98/569389898.db2.gz FRNIYZGHAWNOGX-ZDUSSCGKSA-N -1 3 403.280 3.409 50 0 HGAAHM C[C@]1(c2cccc(NS(=O)(=O)CCCOCc3ccccc3)c2)NC(=O)[N-]C1=O ZINC000328595706 569415849 /nfs/dbraw/zinc/41/58/49/569415849.db2.gz BMNICRDBYFFCNN-HXUWFJFHSA-N -1 3 417.487 3.135 50 0 HGAAHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000008489373 571056189 /nfs/dbraw/zinc/05/61/89/571056189.db2.gz MMNGDRADRMAUFO-CQSZACIVSA-N -1 3 417.494 3.179 50 0 HGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCCc3c[nH]c4ccccc34)cc2O1 ZINC000008764388 571114678 /nfs/dbraw/zinc/11/46/78/571114678.db2.gz LADXIXJYFOPUPM-UHFFFAOYSA-N -1 3 408.454 3.355 50 0 biogenic HGAAHM C[C@]1(c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)NC(=O)[N-]C1=O ZINC000040110855 571168984 /nfs/dbraw/zinc/16/89/84/571168984.db2.gz IOLFFJQMUIUFFU-GOSISDBHSA-N -1 3 408.241 3.066 50 0 HGAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040117760 571174673 /nfs/dbraw/zinc/17/46/73/571174673.db2.gz HDNRCYUJFHXQAR-FQEVSTJZSA-N -1 3 401.850 3.191 50 0 HGAAHM O=S(=O)([N-]Cc1nnc2ccc(-c3ccsc3)nn21)c1ccc(Cl)s1 ZINC000244986108 571211628 /nfs/dbraw/zinc/21/16/28/571211628.db2.gz JGLRZENERIYZNM-UHFFFAOYSA-N -1 3 411.921 3.046 50 0 HGAAHM Cc1ccc(N2C[C@@H](C[N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000009037093 571213667 /nfs/dbraw/zinc/21/36/67/571213667.db2.gz ALUBNPYZBLPGFD-CQSZACIVSA-N -1 3 412.433 3.345 50 0 HGAAHM O=c1[n-]nc(Sc2ncnc3sc4c(c32)CCCCC4)n1C[C@H]1CCCO1 ZINC000009119941 571225337 /nfs/dbraw/zinc/22/53/37/571225337.db2.gz OCKGRRKBPZIHPO-LLVKDONJSA-N -1 3 403.533 3.175 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1OC ZINC000009260430 571243780 /nfs/dbraw/zinc/24/37/80/571243780.db2.gz XZKJPKPWHIRNAJ-SFHVURJKSA-N -1 3 401.488 3.154 50 0 HGAAHM O=C(O[C@H]1CCCCC1=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000009491566 571262776 /nfs/dbraw/zinc/26/27/76/571262776.db2.gz PIOTXHVFMREGAJ-SFHVURJKSA-N -1 3 421.902 3.487 50 0 HGAAHM CCOC(=O)c1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2[O-])cc1 ZINC000010166772 571295725 /nfs/dbraw/zinc/29/57/25/571295725.db2.gz IHVKQCMLAMYPGG-UHFFFAOYSA-N -1 3 416.437 3.451 50 0 HGAAHM O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)[N-]OCc1ccccc1 ZINC000010319058 571300180 /nfs/dbraw/zinc/30/01/80/571300180.db2.gz OQSAUVGUKIFFPJ-UHFFFAOYSA-N -1 3 417.259 3.073 50 0 HGAAHM CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1[O-] ZINC000004758715 132288141 /nfs/dbraw/zinc/28/81/41/132288141.db2.gz RXVQKJHFNJWZSG-UHFFFAOYSA-N -1 3 423.542 3.112 50 0 HGAAHM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-][C@@H](C)c3ccccc3)cc21 ZINC000040450213 519630323 /nfs/dbraw/zinc/63/03/23/519630323.db2.gz VBDVIRIQHLVUEB-LBPRGKRZSA-N -1 3 423.332 3.398 50 0 HGAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]Cc3ccccc3)cc21 ZINC000040450344 521156028 /nfs/dbraw/zinc/15/60/28/521156028.db2.gz SKERWKVDACLLBI-UHFFFAOYSA-N -1 3 423.332 3.227 50 0 HGAAHM COc1c(C)cnc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)c1C ZINC000031812211 521812281 /nfs/dbraw/zinc/81/22/81/521812281.db2.gz GPYUPZRUAYKCED-OAQYLSRUSA-N -1 3 408.502 3.132 50 0 HGAAHM Cc1nc2ccccc2nc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccccc32)CC1 ZINC000032069761 527173288 /nfs/dbraw/zinc/17/32/88/527173288.db2.gz CCUNUUCHUPOPLC-OAQYLSRUSA-N -1 3 401.470 3.367 50 0 HGAAHM O=C(Nc1cccc(Cl)c1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040284961 527342305 /nfs/dbraw/zinc/34/23/05/527342305.db2.gz MWNYMZBKOUGINW-AWEZNQCLSA-N -1 3 409.833 3.231 50 0 HGAAHM CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000000729384 557074473 /nfs/dbraw/zinc/07/44/73/557074473.db2.gz UFLPIEPPBSOXHK-GUYCJALGSA-N -1 3 424.881 3.137 50 0 HGAAHM CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000000792549 557081926 /nfs/dbraw/zinc/08/19/26/557081926.db2.gz KXYWRCLAPMYXBX-UHFFFAOYSA-N -1 3 408.545 3.049 50 0 HGAAHM O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1ccccc1[O-] ZINC000000990749 557134513 /nfs/dbraw/zinc/13/45/13/557134513.db2.gz NCHYGUASUCAENU-MXXWWZHRSA-N -1 3 424.456 3.223 50 0 HGAAHM O=S(=O)([N-]Cc1ccccc1)c1ccc(Cl)cc1I ZINC000001040970 557153489 /nfs/dbraw/zinc/15/34/89/557153489.db2.gz QRRNZHJJUQFRIU-UHFFFAOYSA-N -1 3 407.660 3.423 50 0 HGAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)NC2CCCCC2)c(OC)c1)C(F)(F)F ZINC000002260513 557332200 /nfs/dbraw/zinc/33/22/00/557332200.db2.gz WSUHOHJEVYOWAI-QGZVFWFLSA-N -1 3 404.385 3.072 50 0 HGAAHM COc1ccc(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3[O-])C2)cc1OC ZINC000004035740 557506844 /nfs/dbraw/zinc/50/68/44/557506844.db2.gz BSJXPJCGNARBDR-KRWDZBQOSA-N -1 3 421.247 3.304 50 0 HGAAHM Cc1ccc(CO[N-]C(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)cc1 ZINC000002790210 557759812 /nfs/dbraw/zinc/75/98/12/557759812.db2.gz VQIFMTFIQJCUQE-UHFFFAOYSA-N -1 3 417.314 3.414 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cccc(C)c1N(Cc1ccc(C)cc1)C2=O ZINC000008843710 557811674 /nfs/dbraw/zinc/81/16/74/557811674.db2.gz WQOJXKGMFWOWHN-QFIPXVFZSA-N -1 3 422.510 3.005 50 0 HGAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc(Br)c1[O-] ZINC000008915522 557814232 /nfs/dbraw/zinc/81/42/32/557814232.db2.gz BOEJGGJNABFYCG-OAHLLOKOSA-N -1 3 416.227 3.445 50 0 HGAAHM COc1ccc([C@@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4CCC(C)C)c3C2)cc1 ZINC000019821189 558290561 /nfs/dbraw/zinc/29/05/61/558290561.db2.gz ASNWJUMTAREOQB-HNNXBMFYSA-N -1 3 407.470 3.052 50 0 HGAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000012994631 558498097 /nfs/dbraw/zinc/49/80/97/558498097.db2.gz SWGLYPGLGQZFCX-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000013070232 558511149 /nfs/dbraw/zinc/51/11/49/558511149.db2.gz DZPBVUCSTKKIDT-HNNXBMFYSA-N -1 3 412.870 3.189 50 0 HGAAHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000013135485 558520954 /nfs/dbraw/zinc/52/09/54/558520954.db2.gz HBBXLWIIVDZPCP-UHFFFAOYSA-N -1 3 418.696 3.368 50 0 HGAAHM Cc1cnc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000023055197 558532416 /nfs/dbraw/zinc/53/24/16/558532416.db2.gz QVQJPGYCKRRDPC-INIZCTEOSA-N -1 3 419.503 3.119 50 0 HGAAHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc([N-]S(C)(=O)=O)c2)c(C)c1 ZINC000023534729 558560884 /nfs/dbraw/zinc/56/08/84/558560884.db2.gz PBPQJBXNSWSSID-OAHLLOKOSA-N -1 3 404.488 3.167 50 0 HGAAHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc([N-]S(C)(=O)=O)c2)c(C)c1 ZINC000023534733 558560932 /nfs/dbraw/zinc/56/09/32/558560932.db2.gz PBPQJBXNSWSSID-HNNXBMFYSA-N -1 3 404.488 3.167 50 0 HGAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000024193288 558591763 /nfs/dbraw/zinc/59/17/63/558591763.db2.gz PYDDNIWCPKKOEO-GOSISDBHSA-N -1 3 415.342 3.345 50 0 HGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(C3CC3)nc21 ZINC000024442478 558597555 /nfs/dbraw/zinc/59/75/55/558597555.db2.gz VABOEPFNNMNRPQ-CQSZACIVSA-N -1 3 418.497 3.210 50 0 HGAAHM Cc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000024987047 558625196 /nfs/dbraw/zinc/62/51/96/558625196.db2.gz FVEWWNUUWOMDLK-SFHVURJKSA-N -1 3 413.474 3.057 50 0 HGAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1cccc2cccnc21 ZINC000015100473 558722751 /nfs/dbraw/zinc/72/27/51/558722751.db2.gz BIWNEGGTGSZRQN-UHFFFAOYSA-N -1 3 409.389 3.328 50 0 HGAAHM CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1[O-] ZINC000015746009 558751417 /nfs/dbraw/zinc/75/14/17/558751417.db2.gz VUWJCUXIBOSWSZ-OQLLNIDSSA-N -1 3 417.284 3.324 50 0 HGAAHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)n1 ZINC000072307548 558767565 /nfs/dbraw/zinc/76/75/65/558767565.db2.gz JTWHEUKMKYUQFS-UHFFFAOYSA-N -1 3 412.874 3.445 50 0 HGAAHM O=S(=O)([N-]c1cc2c(cc1Br)OCCO2)c1ccc(F)c(F)c1F ZINC000016120843 558772653 /nfs/dbraw/zinc/77/26/53/558772653.db2.gz ANPAAQIMHXUTEI-UHFFFAOYSA-N -1 3 424.194 3.438 50 0 HGAAHM CCc1nc2sc([C@@H](c3cccs3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000004584891 558780305 /nfs/dbraw/zinc/78/03/05/558780305.db2.gz UGQLNMFGGXGDQB-CQSZACIVSA-N -1 3 406.533 3.049 50 0 HGAAHM Cc1nc(C)c(CCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c(=O)[n-]1 ZINC000016469038 558792887 /nfs/dbraw/zinc/79/28/87/558792887.db2.gz NGISIUGDGHJAKZ-UHFFFAOYSA-N -1 3 419.507 3.241 50 0 HGAAHM CC(=O)c1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000016699402 558801331 /nfs/dbraw/zinc/80/13/31/558801331.db2.gz VPDALSPOJSVQOU-UHFFFAOYSA-N -1 3 419.466 3.455 50 0 HGAAHM C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000017088074 558816913 /nfs/dbraw/zinc/81/69/13/558816913.db2.gz TVICNTHBWZLYNK-INIZCTEOSA-N -1 3 408.545 3.192 50 0 HGAAHM O=C([N-]N1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1ccncc1 ZINC000018055739 558830238 /nfs/dbraw/zinc/83/02/38/558830238.db2.gz VGQINDZVVIKUPU-KAOXLYBCSA-N -1 3 423.472 3.465 50 0 HGAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000033029192 558852225 /nfs/dbraw/zinc/85/22/25/558852225.db2.gz SEHKAWAOFJNVSS-HNAYVOBHSA-N -1 3 424.888 3.058 50 0 HGAAHM COCCN1CCc2nc(SCc3cccc(Br)c3)[n-]c(=O)c2C1 ZINC000033141648 558893343 /nfs/dbraw/zinc/89/33/43/558893343.db2.gz GINHVVJICFXBND-UHFFFAOYSA-N -1 3 410.337 3.242 50 0 HGAAHM CC1CCN(C(=O)C(=C([O-])c2ccc(Br)cc2)n2ccccc2=O)CC1 ZINC000004689631 558899290 /nfs/dbraw/zinc/89/92/90/558899290.db2.gz DKVLCBZJUQRZGJ-SFHVURJKSA-N -1 3 417.303 3.293 50 0 HGAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2ccc(N(C)C)cc2)c1 ZINC000058141020 558901420 /nfs/dbraw/zinc/90/14/20/558901420.db2.gz DNBDYMLBYGIGDA-ZDUSSCGKSA-N -1 3 410.923 3.102 50 0 HGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000023156853 559022685 /nfs/dbraw/zinc/02/26/85/559022685.db2.gz BHTDGXWXZUQEON-KRWDZBQOSA-N -1 3 414.531 3.478 50 0 HGAAHM COc1ccc(/C=C/c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1OC ZINC000033276282 559036070 /nfs/dbraw/zinc/03/60/70/559036070.db2.gz IOGGNHYLYAQIAE-VZUCSPMQSA-N -1 3 401.444 3.296 50 0 HGAAHM Cc1ccc(OCc2nnc(SCC(=O)[N-]C3=NCCS3)n2C(C)C)c(C)c1 ZINC000004736572 559036513 /nfs/dbraw/zinc/03/65/13/559036513.db2.gz GVCNWTQEBDHSMK-UHFFFAOYSA-N -1 3 419.576 3.366 50 0 HGAAHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc2[nH]c(=O)[nH]c2cc1Cl ZINC000085684431 559057367 /nfs/dbraw/zinc/05/73/67/559057367.db2.gz OOAWTWHIGCSJTM-UHFFFAOYSA-N -1 3 416.684 3.381 50 0 HGAAHM Cc1cc(C)c(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000011449662 559076370 /nfs/dbraw/zinc/07/63/70/559076370.db2.gz YFGCWUJTUFNTFE-UHFFFAOYSA-N -1 3 422.572 3.022 50 0 HGAAHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc2c(cc1Br)OCCO2 ZINC000060838042 559077235 /nfs/dbraw/zinc/07/72/35/559077235.db2.gz XEEKKZZKUBPKFR-UHFFFAOYSA-N -1 3 424.194 3.438 50 0 HGAAHM C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)NC(=O)[N-]C1=O ZINC000247933529 559255604 /nfs/dbraw/zinc/25/56/04/559255604.db2.gz DEANHWUANRTGEH-JEZSTIGHSA-N -1 3 415.559 3.466 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c(C)c1 ZINC000012447106 560211998 /nfs/dbraw/zinc/21/19/98/560211998.db2.gz JKTCWQHDDUNPIN-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 biogenic,in-vitro HGAAHM COc1ccc(CCNC(=O)c2sc3[n-]c(CSC)nc(=O)c3c2C)cc1 ZINC000005266105 560553593 /nfs/dbraw/zinc/55/35/93/560553593.db2.gz CHDCWHJJJFWKLD-UHFFFAOYSA-N -1 3 403.529 3.137 50 0 HGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(CCCO)C3=O)cc1Cl ZINC000005343593 560566529 /nfs/dbraw/zinc/56/65/29/560566529.db2.gz RDLYOBNTXHLYHK-FQEVSTJZSA-N -1 3 413.861 3.377 50 0 HGAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1 ZINC000100834109 560759660 /nfs/dbraw/zinc/75/96/60/560759660.db2.gz FCUVVIIKJZMRLZ-HIFRSBDPSA-N -1 3 405.635 3.395 50 0 HGAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(Br)c1 ZINC000101359127 560792535 /nfs/dbraw/zinc/79/25/35/560792535.db2.gz JFBRZAOPWSNAJU-GDBMZVCRSA-N -1 3 403.207 3.189 50 0 HGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000101521031 560796892 /nfs/dbraw/zinc/79/68/92/560796892.db2.gz GGMRDPNNDBIXGV-PCCBWWKXSA-N -1 3 414.417 3.436 50 0 HGAAHM CCOc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1 ZINC000101796590 560801669 /nfs/dbraw/zinc/80/16/69/560801669.db2.gz LGOOMCRAPKOVGN-UHFFFAOYSA-N -1 3 408.437 3.180 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)cc(F)c1)CC(=O)N2 ZINC000046075673 568426963 /nfs/dbraw/zinc/42/69/63/568426963.db2.gz PBDFBSLFFBCHGY-GFCCVEGCSA-N -1 3 408.430 3.005 50 0 HGAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)cc1 ZINC000046074900 568426970 /nfs/dbraw/zinc/42/69/70/568426970.db2.gz BNNKUYDZSKZLSC-INIZCTEOSA-N -1 3 420.494 3.435 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000046075583 568427073 /nfs/dbraw/zinc/42/70/73/568427073.db2.gz MAVJHTFFAXUMDS-AWEZNQCLSA-N -1 3 400.504 3.343 50 0 HGAAHM NC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000048325095 568438514 /nfs/dbraw/zinc/43/85/14/568438514.db2.gz NJBCQJDQLYJCKY-UHFFFAOYSA-N -1 3 404.673 3.394 50 0 HGAAHM CCSc1nnc([N-]C(=O)c2nnn(-c3nc4c(s3)CCCC4)c2C)s1 ZINC000049032476 568446016 /nfs/dbraw/zinc/44/60/16/568446016.db2.gz LYLKQBWCVXKWLV-UHFFFAOYSA-N -1 3 407.550 3.127 50 0 HGAAHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049304297 568447097 /nfs/dbraw/zinc/44/70/97/568447097.db2.gz IDRJIWSIRVJRLS-HNNXBMFYSA-N -1 3 414.465 3.453 50 0 HGAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000024894217 568478851 /nfs/dbraw/zinc/47/88/51/568478851.db2.gz YQCPDDJNVQJGDC-UHFFFAOYSA-N -1 3 405.457 3.217 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)Nc1cccc(Cl)c1 ZINC000020137206 568589865 /nfs/dbraw/zinc/58/98/65/568589865.db2.gz JKBHKBIXLSHOIE-UHFFFAOYSA-N -1 3 423.741 3.471 50 0 HGAAHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)s1 ZINC000095457528 568618274 /nfs/dbraw/zinc/61/82/74/568618274.db2.gz DWNYRJPLDAMWTF-QGZVFWFLSA-N -1 3 406.573 3.419 50 0 HGAAHM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000020604113 568635974 /nfs/dbraw/zinc/63/59/74/568635974.db2.gz YSBWITZXLJHLKM-UHFFFAOYSA-N -1 3 418.899 3.210 50 0 HGAAHM CCCn1c(=O)c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2[n-]c1=S ZINC000020645343 568639002 /nfs/dbraw/zinc/63/90/02/568639002.db2.gz WSLMRHBCJNJJFF-UHFFFAOYSA-N -1 3 414.575 3.186 50 0 HGAAHM CC(C)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998969 568680306 /nfs/dbraw/zinc/68/03/06/568680306.db2.gz APNBOFMPWAPTON-OAHLLOKOSA-N -1 3 405.524 3.316 50 0 HGAAHM CC(C)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998969 568680311 /nfs/dbraw/zinc/68/03/11/568680311.db2.gz APNBOFMPWAPTON-OAHLLOKOSA-N -1 3 405.524 3.316 50 0 HGAAHM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c[nH]2)o1 ZINC000096321611 568728912 /nfs/dbraw/zinc/72/89/12/568728912.db2.gz OWILCSAJQLKKPE-UHFFFAOYSA-N -1 3 411.281 3.499 50 0 HGAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)NCc1ccccc1)C3 ZINC000096326887 568734880 /nfs/dbraw/zinc/73/48/80/568734880.db2.gz RRBYTQUCVZRRFL-UHFFFAOYSA-N -1 3 411.889 3.277 50 0 HGAAHM Cc1ccc(CNC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1 ZINC000096399496 568747928 /nfs/dbraw/zinc/74/79/28/568747928.db2.gz ZESUGFZDTBEXTE-UHFFFAOYSA-N -1 3 421.569 3.385 50 0 HGAAHM Cc1cc2nc(SCC(=O)Nc3ccc(Br)cc3F)[n-]c(=O)c2[nH]1 ZINC000057520910 568849979 /nfs/dbraw/zinc/84/99/79/568849979.db2.gz YBNLRZMLGPIKNM-UHFFFAOYSA-N -1 3 411.256 3.192 50 0 HGAAHM CCONC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000012548714 568851800 /nfs/dbraw/zinc/85/18/00/568851800.db2.gz CLWLRASZKWQMMH-UHFFFAOYSA-N -1 3 413.293 3.240 50 0 HGAAHM CCN1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)CC1 ZINC000012552622 568854414 /nfs/dbraw/zinc/85/44/14/568854414.db2.gz LYLNFBVSMPYDRI-UHFFFAOYSA-N -1 3 401.532 3.010 50 0 HGAAHM CSCc1nc(=O)c2c(C)c(C(=O)N[C@@H]3CCOc4ccccc43)sc2[n-]1 ZINC000012567377 568860681 /nfs/dbraw/zinc/86/06/81/568860681.db2.gz IBJRGSNQOSYDRS-GFCCVEGCSA-N -1 3 401.513 3.410 50 0 HGAAHM Cc1ccc(-n2c(SCc3cc(=O)[n-]c(=O)[nH]3)nnc2-c2ccccc2)cc1C ZINC000003340033 568883592 /nfs/dbraw/zinc/88/35/92/568883592.db2.gz MXNKIVAGKDUGSO-UHFFFAOYSA-N -1 3 405.483 3.220 50 0 HGAAHM O=c1c([C@@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c(=S)n1Cc1ccc(F)cc1 ZINC000001318994 568913929 /nfs/dbraw/zinc/91/39/29/568913929.db2.gz ZJHUDWNYBZVQFU-IBGZPJMESA-N -1 3 422.485 3.141 50 0 biogenic HGAAHM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccco4)o3)cc2)C1 ZINC000004264617 568956085 /nfs/dbraw/zinc/95/60/85/568956085.db2.gz JPBWMQXCFJRMKJ-ZDUSSCGKSA-N -1 3 416.459 3.003 50 0 HGAAHM COC[C@@H](C)NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012778358 568956186 /nfs/dbraw/zinc/95/61/86/568956186.db2.gz XGENUBGDCTYUFB-CHWSQXEVSA-N -1 3 417.556 3.424 50 0 HGAAHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc32)ccc1Cl ZINC000012785153 568959542 /nfs/dbraw/zinc/95/95/42/568959542.db2.gz ZEULDDRPRXYZOK-UHFFFAOYSA-N -1 3 420.874 3.078 50 0 HGAAHM O=S(=O)([N-]C[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccs1 ZINC000008038092 568970197 /nfs/dbraw/zinc/97/01/97/568970197.db2.gz ZDJFVZPHBKPSMD-CQSZACIVSA-N -1 3 413.567 3.303 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccco3)c2)cc1 ZINC000008180808 568979875 /nfs/dbraw/zinc/97/98/75/568979875.db2.gz ZUTQOWABKUUSDX-UHFFFAOYSA-N -1 3 400.456 3.327 50 0 HGAAHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000012810503 568984994 /nfs/dbraw/zinc/98/49/94/568984994.db2.gz ZXRKYPSPZYYCKJ-CYBMUJFWSA-N -1 3 417.961 3.259 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](c1csc2ccccc21)N(C)C ZINC000575621425 569038983 /nfs/dbraw/zinc/03/89/83/569038983.db2.gz OEDZZAKGIXBTCD-AWEZNQCLSA-N -1 3 424.569 3.331 50 0 HGAAHM C[C@]1(CSc2ccccc2C(=O)N2CC[C@@H]3CCCC[C@H]3C2)NC(=O)[N-]C1=O ZINC000239761317 569054567 /nfs/dbraw/zinc/05/45/67/569054567.db2.gz CJMRDASYUVWUQU-VFCRVFHLSA-N -1 3 401.532 3.029 50 0 HGAAHM O=c1cc(CN2CCCCC2)nc(N2CCCN(Cc3cccc(Cl)c3)CC2)[n-]1 ZINC000035926891 569066489 /nfs/dbraw/zinc/06/64/89/569066489.db2.gz XJKIEQNSTFKUHV-UHFFFAOYSA-N -1 3 415.969 3.122 50 0 HGAAHM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]CCCN3CCCC3=O)s2)n1 ZINC000064755877 569089770 /nfs/dbraw/zinc/08/97/70/569089770.db2.gz WEZWAXBBPNZMHQ-UHFFFAOYSA-N -1 3 413.590 3.286 50 0 HGAAHM Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000006858565 569156540 /nfs/dbraw/zinc/15/65/40/569156540.db2.gz KGXDWKFPJBIOAW-CYBMUJFWSA-N -1 3 400.456 3.276 50 0 HGAAHM CC[C@H](C)[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116853 569179935 /nfs/dbraw/zinc/17/99/35/569179935.db2.gz PALNTEIYDRAWLT-NSHDSACASA-N -1 3 413.590 3.493 50 0 HGAAHM O=C(c1cc(Br)c(Br)s1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000036611201 569208785 /nfs/dbraw/zinc/20/87/85/569208785.db2.gz ZMRIBOKTDPKZSN-QMMMGPOBSA-N -1 3 422.020 3.356 50 0 HGAAHM O=S(=O)([N-]Cc1ccncc1)c1cc(Br)ccc1Br ZINC000016780669 569263096 /nfs/dbraw/zinc/26/30/96/569263096.db2.gz IYKIVPATLUGYDO-UHFFFAOYSA-N -1 3 406.099 3.085 50 0 HGAAHM O=c1[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1cccc2ccccc21 ZINC000016972169 569269670 /nfs/dbraw/zinc/26/96/70/569269670.db2.gz FDQKEPIVTIKFEE-QFIPXVFZSA-N -1 3 424.460 3.101 50 0 biogenic HGAAHM O=c1[nH]c(=O)n(-c2cccc3ccccc32)c([O-])c1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000016972169 569269671 /nfs/dbraw/zinc/26/96/71/569269671.db2.gz FDQKEPIVTIKFEE-QFIPXVFZSA-N -1 3 424.460 3.101 50 0 biogenic HGAAHM CCOC(=O)C(Sc1nc2sc3c(c2c(N)n1)C[C@@](C)(CC)OC3)=C(C)[O-] ZINC000002405093 569396000 /nfs/dbraw/zinc/39/60/00/569396000.db2.gz GNJHQNOXQGXBGD-SCLBCKFNSA-N -1 3 409.533 3.128 50 0 HGAAHM Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1ccc2[nH]c(CC(C)C)nc2c1 ZINC000079484845 569431954 /nfs/dbraw/zinc/43/19/54/569431954.db2.gz FOPIPSVNNMMEJX-UHFFFAOYSA-N -1 3 405.458 3.124 50 0 HGAAHM CCCN1CCc2nc(SCC(=O)NCc3ccccc3Cl)[n-]c(=O)c2C1 ZINC000067291690 571067447 /nfs/dbraw/zinc/06/74/47/571067447.db2.gz POWVUOGITXFTSF-UHFFFAOYSA-N -1 3 406.939 3.012 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)NC(=O)[N-]C1=O ZINC000040110972 571169279 /nfs/dbraw/zinc/16/92/79/571169279.db2.gz VTEWGLJQMXWDDK-QFIPXVFZSA-N -1 3 422.416 3.107 50 0 HGAAHM O=C(NCCSc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115454 571173019 /nfs/dbraw/zinc/17/30/19/571173019.db2.gz YYTYLKYTHSMWCS-UHFFFAOYSA-N -1 3 419.503 3.477 50 0 HGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1C ZINC000008961642 571190117 /nfs/dbraw/zinc/19/01/17/571190117.db2.gz QMJFHAGBZLQJGB-UHFFFAOYSA-N -1 3 418.515 3.439 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C ZINC000009165589 571232525 /nfs/dbraw/zinc/23/25/25/571232525.db2.gz UPDBJVPWQZPGSI-UHFFFAOYSA-N -1 3 404.488 3.186 50 0 HGAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009170153 571233640 /nfs/dbraw/zinc/23/36/40/571233640.db2.gz HDCYDQVKNCJHQK-UHFFFAOYSA-N -1 3 418.515 3.494 50 0 HGAAHM O=C(C1CCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1 ZINC000009202216 571236342 /nfs/dbraw/zinc/23/63/42/571236342.db2.gz FCLAWEHBIQQGHT-UHFFFAOYSA-N -1 3 424.480 3.011 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009633734 571274996 /nfs/dbraw/zinc/27/49/96/571274996.db2.gz BJYVXXZRSWWPEB-CQSZACIVSA-N -1 3 421.569 3.390 50 0 HGAAHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2ccc(Br)cc2)o1 ZINC000009712675 571281255 /nfs/dbraw/zinc/28/12/55/571281255.db2.gz DCPSDZMHZURTFL-UHFFFAOYSA-N -1 3 422.260 3.155 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010429327 571302427 /nfs/dbraw/zinc/30/24/27/571302427.db2.gz CZKXLKFAWCGOHC-GOSISDBHSA-N -1 3 407.561 3.290 50 0 HGAAHM CCc1ccc([C@H](NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c2cccs2)cc1 ZINC000010447490 571303063 /nfs/dbraw/zinc/30/30/63/571303063.db2.gz CZVICXGPJLLQBE-NRFANRHFSA-N -1 3 419.506 3.220 50 0 HGAAHM CC1=C(C#N)C(=O)[N-]C(=O)C1=CNNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000108367018 571314419 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ZINC000020530628 558384193 /nfs/dbraw/zinc/38/41/93/558384193.db2.gz BZFXYDLBMPOERN-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(c1cc2ccccc2o1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012429562 558404545 /nfs/dbraw/zinc/40/45/45/558404545.db2.gz YULCYMZKQUPIKW-AWEZNQCLSA-N -1 3 404.513 3.325 50 0 HGAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000012987387 558495857 /nfs/dbraw/zinc/49/58/57/558495857.db2.gz HQPAGDQFOABZNX-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000012993427 558497430 /nfs/dbraw/zinc/49/74/30/558497430.db2.gz UAKSLUGLMXDNGL-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM CCOC(=O)c1ccc(OC[C@@H](O)CSc2n[n-]c(-c3cccs3)n2)cc1 ZINC000022954981 558527685 /nfs/dbraw/zinc/52/76/85/558527685.db2.gz LLCSKEGCNFXFJU-CYBMUJFWSA-N -1 3 405.501 3.242 50 0 HGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O ZINC000013281424 558528639 /nfs/dbraw/zinc/52/86/39/558528639.db2.gz YHBKIPDUTDXCIF-UHFFFAOYSA-N -1 3 407.813 3.489 50 0 HGAAHM Cc1c([O-])ccc2c(CN3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc12 ZINC000023303339 558548610 /nfs/dbraw/zinc/54/86/10/558548610.db2.gz NAJJENDTPROECB-UHFFFAOYSA-N -1 3 406.482 3.060 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)cc1OCC ZINC000024437810 558597334 /nfs/dbraw/zinc/59/73/34/558597334.db2.gz NZQUSPRGZCGZGG-UHFFFAOYSA-N -1 3 408.476 3.252 50 0 HGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(OC)cc3)C[C@]2([O-])C(F)(F)F)n1 ZINC000004478281 558601477 /nfs/dbraw/zinc/60/14/77/558601477.db2.gz BMUWOTCQDWKACE-INIZCTEOSA-N -1 3 415.393 3.194 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1C ZINC000014139826 558624762 /nfs/dbraw/zinc/62/47/62/558624762.db2.gz XOPFEHSZTSBAPN-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM COC(=O)c1ccc([C@H]2c3ccc(OC(C)=O)cc3Oc3nc(C)[n-]c(=O)c32)cc1 ZINC000015083234 558719748 /nfs/dbraw/zinc/71/97/48/558719748.db2.gz DSIACCKQFMOPAE-SFHVURJKSA-N -1 3 406.394 3.076 50 0 HGAAHM C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015507426 558741677 /nfs/dbraw/zinc/74/16/77/558741677.db2.gz SFLASZMHUQKMSX-MRXNPFEDSA-N -1 3 410.518 3.136 50 0 HGAAHM Cc1cc(C)cc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)c1 ZINC000004659815 558873342 /nfs/dbraw/zinc/87/33/42/558873342.db2.gz ZPUROXJJEPHVBP-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM Cc1cc(C)cc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)c1 ZINC000004659815 558873345 /nfs/dbraw/zinc/87/33/45/558873345.db2.gz ZPUROXJJEPHVBP-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000033299008 559048297 /nfs/dbraw/zinc/04/82/97/559048297.db2.gz WYWVZAZEBYSNND-UHFFFAOYSA-N -1 3 416.933 3.295 50 0 HGAAHM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3cccc(F)c3)cc2s1 ZINC000033298938 559048325 /nfs/dbraw/zinc/04/83/25/559048325.db2.gz JMOPNFVGQHGYQE-UHFFFAOYSA-N -1 3 414.505 3.171 50 0 HGAAHM CCC[C@H]1COCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091657118 559072817 /nfs/dbraw/zinc/07/28/17/559072817.db2.gz UCZIAKPTHSASFX-LBPRGKRZSA-N -1 3 410.301 3.309 50 0 HGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000011615615 559114727 /nfs/dbraw/zinc/11/47/27/559114727.db2.gz OMJGDANZDMKPKM-UHFFFAOYSA-N -1 3 409.305 3.460 50 0 HGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000100722323 559138504 /nfs/dbraw/zinc/13/85/04/559138504.db2.gz ZWEYECKGSIUVIR-PCCBWWKXSA-N -1 3 401.422 3.141 50 0 HGAAHM C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)C1 ZINC000004874170 559194929 /nfs/dbraw/zinc/19/49/29/559194929.db2.gz AAXBSSVTJANDHI-SOLBZPMBSA-N -1 3 406.573 3.142 50 0 HGAAHM Cc1ccc(S(=O)(=O)CCc2nnc([N-]C(=O)c3cccs3)s2)cc1C ZINC000004893619 559198739 /nfs/dbraw/zinc/19/87/39/559198739.db2.gz CXNHJPSVHXUAHN-UHFFFAOYSA-N -1 3 407.542 3.485 50 0 HGAAHM O=C([O-])[C@H](CC(=O)Nc1ccccc1)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000061720045 560536341 /nfs/dbraw/zinc/53/63/41/560536341.db2.gz NGYLTAAUUAIWIG-GOSISDBHSA-N -1 3 415.921 3.187 50 0 HGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 ZINC000005250690 560551339 /nfs/dbraw/zinc/55/13/39/560551339.db2.gz VDDHAFAJGUGOLR-UHFFFAOYSA-N -1 3 408.545 3.343 50 0 HGAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)c2c1 ZINC000096736401 560602542 /nfs/dbraw/zinc/60/25/42/560602542.db2.gz AOOMQJJGEZWGER-OAQYLSRUSA-N -1 3 421.501 3.105 50 0 HGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc21 ZINC000017316558 560708544 /nfs/dbraw/zinc/70/85/44/560708544.db2.gz RVQXWSVONDVFEQ-UHFFFAOYSA-N -1 3 408.545 3.207 50 0 HGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc21 ZINC000017316537 560708567 /nfs/dbraw/zinc/70/85/67/560708567.db2.gz GWBJAQPNUUHEDF-UHFFFAOYSA-N -1 3 412.508 3.037 50 0 HGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc21 ZINC000017316534 560708581 /nfs/dbraw/zinc/70/85/81/560708581.db2.gz VSYQWSXRPSPPRZ-UHFFFAOYSA-N -1 3 408.545 3.207 50 0 HGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102762411 560826285 /nfs/dbraw/zinc/82/62/85/560826285.db2.gz GGMRDPNNDBIXGV-PWRODBHTSA-N -1 3 414.417 3.436 50 0 HGAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000102914554 560835346 /nfs/dbraw/zinc/83/53/46/560835346.db2.gz AIRJRZRRFRLGKT-HSALFYBXSA-N -1 3 418.405 3.117 50 0 HGAAHM CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)n1 ZINC000012168489 560890694 /nfs/dbraw/zinc/89/06/94/560890694.db2.gz IGHUWYSVSRXHOF-UHFFFAOYSA-N -1 3 413.455 3.181 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)cc(F)c1)CC(=O)N2 ZINC000046075670 568427068 /nfs/dbraw/zinc/42/70/68/568427068.db2.gz PBDFBSLFFBCHGY-LBPRGKRZSA-N -1 3 408.430 3.005 50 0 HGAAHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049303707 568447135 /nfs/dbraw/zinc/44/71/35/568447135.db2.gz HHQXDLNJRJAFSD-UHFFFAOYSA-N -1 3 400.438 3.065 50 0 HGAAHM Cn1cccc1[C@@H](C[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 ZINC000021153410 568462004 /nfs/dbraw/zinc/46/20/04/568462004.db2.gz BJVPSVPKYCHGJM-LJQANCHMSA-N -1 3 401.557 3.165 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1N ZINC000095944676 568663099 /nfs/dbraw/zinc/66/30/99/568663099.db2.gz KNEPMDSKTOUQJE-QGZVFWFLSA-N -1 3 416.952 3.001 50 0 HGAAHM COc1ccc(CC[N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)cc1OC ZINC000021363548 568690435 /nfs/dbraw/zinc/69/04/35/568690435.db2.gz HICSJZICGHZSHU-UHFFFAOYSA-N -1 3 408.501 3.250 50 0 HGAAHM O=S(=O)([N-]CCn1nc(C2CC2)cc1C1CC1)c1ccc(Br)s1 ZINC000096121779 568700116 /nfs/dbraw/zinc/70/01/16/568700116.db2.gz VKAWKXSXYUMBQA-UHFFFAOYSA-N -1 3 416.366 3.440 50 0 HGAAHM CN(C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)C1CCCCC1 ZINC000021537221 568712515 /nfs/dbraw/zinc/71/25/15/568712515.db2.gz FNJBXFJIIJQGJE-UHFFFAOYSA-N -1 3 415.494 3.107 50 0 HGAAHM COc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000021651542 568729261 /nfs/dbraw/zinc/72/92/61/568729261.db2.gz KYJGLSXNZOTFHO-KRWDZBQOSA-N -1 3 416.524 3.285 50 0 HGAAHM O=C(CN1CCC([N-]S(=O)(=O)c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000057297125 568826076 /nfs/dbraw/zinc/82/60/76/568826076.db2.gz SRJFFZGFNPYYDK-UHFFFAOYSA-N -1 3 422.616 3.276 50 0 HGAAHM Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3Br)[n-]c(=O)c2[nH]1 ZINC000057521134 568849983 /nfs/dbraw/zinc/84/99/83/568849983.db2.gz FRXWQZIEWCNJKV-UHFFFAOYSA-N -1 3 407.293 3.361 50 0 HGAAHM C[C@@H](CN1CCc2ccccc2C1)[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000670457464 568942029 /nfs/dbraw/zinc/94/20/29/568942029.db2.gz AEWWSKVQIDUKOF-AWEZNQCLSA-N -1 3 403.529 3.128 50 0 HGAAHM O=S(=O)([N-]Cc1ccn2ccnc2c1)c1ccc(Br)cc1Cl ZINC000084339182 568946902 /nfs/dbraw/zinc/94/69/02/568946902.db2.gz JTMBAFHBSYNCPG-UHFFFAOYSA-N -1 3 400.685 3.229 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(C(C)(C)C)nn32)cc1Cl ZINC000004251450 568955361 /nfs/dbraw/zinc/95/53/61/568955361.db2.gz FWTGYHJCUKRJCN-UHFFFAOYSA-N -1 3 406.899 3.215 50 0 HGAAHM COc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccccc2C)n1 ZINC000015732571 568982210 /nfs/dbraw/zinc/98/22/10/568982210.db2.gz HWUPBTRHSJQEHW-UHFFFAOYSA-N -1 3 421.482 3.132 50 0 HGAAHM Cc1cc(=O)c([O-])c(C(c2cccc(OC(F)F)c2)c2oc(C)cc(=O)c2O)o1 ZINC000085876206 569009476 /nfs/dbraw/zinc/00/94/76/569009476.db2.gz ABLKXRHWONATQD-UHFFFAOYSA-N -1 3 406.337 3.403 50 0 biogenic HGAAHM C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000012851059 569010462 /nfs/dbraw/zinc/01/04/62/569010462.db2.gz XOPCLHJVZUKJRI-KBPBESRZSA-N -1 3 408.907 3.390 50 0 HGAAHM COC(=O)c1ccc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)s1 ZINC000012860440 569011671 /nfs/dbraw/zinc/01/16/71/569011671.db2.gz MXYOCXUPYOGHTF-UHFFFAOYSA-N -1 3 414.439 3.006 50 0 HGAAHM CSc1ccc(C)c(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000012902184 569020884 /nfs/dbraw/zinc/02/08/84/569020884.db2.gz WQTZWXMAVIAYJU-UHFFFAOYSA-N -1 3 410.586 3.362 50 0 HGAAHM O=S(=O)([N-]CC[C@@H](CCO)c1cccs1)c1ccc(Br)s1 ZINC000575605500 569032058 /nfs/dbraw/zinc/03/20/58/569032058.db2.gz ASCGQQNCAHEHDB-JTQLQIEISA-N -1 3 410.380 3.407 50 0 HGAAHM C[C@@H](CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000009253400 569032597 /nfs/dbraw/zinc/03/25/97/569032597.db2.gz BOVZYFPILWEIIO-HNNXBMFYSA-N -1 3 419.510 3.121 50 0 HGAAHM NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000035361626 569033695 /nfs/dbraw/zinc/03/36/95/569033695.db2.gz YQKUUOGGQWIOJJ-SFHVURJKSA-N -1 3 416.506 3.064 50 0 HGAAHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](c2csc3ccccc32)N(C)C)cn1C ZINC000575622168 569038965 /nfs/dbraw/zinc/03/89/65/569038965.db2.gz XCUODIUPLNCPDI-INIZCTEOSA-N -1 3 406.577 3.339 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1ccc(Cl)cc1 ZINC000006558316 569065676 /nfs/dbraw/zinc/06/56/76/569065676.db2.gz DLCDIENIJNTYDD-SFHVURJKSA-N -1 3 412.914 3.141 50 0 HGAAHM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000036066092 569085700 /nfs/dbraw/zinc/08/57/00/569085700.db2.gz AIFSJPIVKHAYBH-HNNXBMFYSA-N -1 3 420.922 3.387 50 0 HGAAHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(OC)c(OC)c3)c(C)o2)cc1 ZINC000064817853 569101029 /nfs/dbraw/zinc/10/10/29/569101029.db2.gz MQQBAUNNKJHKEA-UHFFFAOYSA-N -1 3 418.471 3.154 50 0 HGAAHM CN(C)S(=O)(=O)n1nc(/C=C/c2ccccc2Cl)nc1-c1ccccc1[O-] ZINC000006759772 569113341 /nfs/dbraw/zinc/11/33/41/569113341.db2.gz WTJGRNTTYZMDIQ-VAWYXSNFSA-N -1 3 404.879 3.129 50 0 HGAAHM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000064983790 569144669 /nfs/dbraw/zinc/14/46/69/569144669.db2.gz XBYHJAGNHRJRDL-UHFFFAOYSA-N -1 3 415.509 3.225 50 0 HGAAHM Cc1ccc(C(=O)N2CCC(CC[N-]S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000065007375 569152961 /nfs/dbraw/zinc/15/29/61/569152961.db2.gz FMMVZXXWZRRAEV-UHFFFAOYSA-N -1 3 422.497 3.494 50 0 HGAAHM Cc1ccc(C(=O)N2CCC(CC[N-]S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000065007352 569153014 /nfs/dbraw/zinc/15/30/14/569153014.db2.gz LPCWHBWZAUCXMH-UHFFFAOYSA-N -1 3 404.507 3.355 50 0 HGAAHM O=S(=O)([N-]C[C@@H]1CCCO1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098088 569177049 /nfs/dbraw/zinc/17/70/49/569177049.db2.gz PESGUXIEOJVAJU-AWEZNQCLSA-N -1 3 409.464 3.062 50 0 HGAAHM CCn1nccc1-c1cccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000065137318 569183617 /nfs/dbraw/zinc/18/36/17/569183617.db2.gz CGLPXOWDEYWVRC-UHFFFAOYSA-N -1 3 409.471 3.099 50 0 HGAAHM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]Cc3ccccc3Cl)cc2C1 ZINC000065196209 569194538 /nfs/dbraw/zinc/19/45/38/569194538.db2.gz WNECASVOGJFQHP-UHFFFAOYSA-N -1 3 410.948 3.175 50 0 HGAAHM CCCCS(=O)(=O)[N-]CC(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000089954832 569269969 /nfs/dbraw/zinc/26/99/69/569269969.db2.gz XFFQHJURGLYPTL-INIZCTEOSA-N -1 3 421.588 3.098 50 0 HGAAHM Cc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3ccc(F)cc3F)nn2)cc1 ZINC000017051759 569272537 /nfs/dbraw/zinc/27/25/37/569272537.db2.gz PBQCUNCJJOWBKG-UHFFFAOYSA-N -1 3 405.426 3.088 50 0 HGAAHM CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O ZINC000043208226 569292415 /nfs/dbraw/zinc/29/24/15/569292415.db2.gz IFRGXKKQHBVPCQ-UHFFFAOYSA-N -1 3 409.530 3.125 50 0 investigational HGAAHM CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c([O-])cc1O ZINC000043208226 569292416 /nfs/dbraw/zinc/29/24/16/569292416.db2.gz IFRGXKKQHBVPCQ-UHFFFAOYSA-N -1 3 409.530 3.125 50 0 investigational HGAAHM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253412569 569366666 /nfs/dbraw/zinc/36/66/66/569366666.db2.gz RKFODRAMMMKJLW-CQSZACIVSA-N -1 3 414.410 3.219 50 0 biogenic HGAAHM COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000012754080 569403053 /nfs/dbraw/zinc/40/30/53/569403053.db2.gz GYAVHCGMIIXUHH-UHFFFAOYSA-N -1 3 408.907 3.062 50 0 HGAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002456888 569411536 /nfs/dbraw/zinc/41/15/36/569411536.db2.gz FUBNAKLXSVUHDO-UHFFFAOYSA-N -1 3 406.489 3.081 50 0 HGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000008601830 571090499 /nfs/dbraw/zinc/09/04/99/571090499.db2.gz BLBIGJGUQJBPPG-UHFFFAOYSA-N -1 3 416.286 3.293 50 0 HGAAHM Nc1c([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccccn1 ZINC000008726386 571108584 /nfs/dbraw/zinc/10/85/84/571108584.db2.gz OPVLVOSIROTGKA-KRWDZBQOSA-N -1 3 405.405 3.317 50 0 HGAAHM CC(=O)Nc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)cc1 ZINC000008823273 571121743 /nfs/dbraw/zinc/12/17/43/571121743.db2.gz NDLNVLGPELMFSR-UHFFFAOYSA-N -1 3 417.472 3.073 50 0 HGAAHM CN(C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccc(O)cc1 ZINC000040059739 571146626 /nfs/dbraw/zinc/14/66/26/571146626.db2.gz SVSOFSOEHHFWTR-UHFFFAOYSA-N -1 3 415.298 3.416 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)CCCc3nc4ccccc4s3)c2)NC(=O)[N-]C1=O ZINC000040111035 571169236 /nfs/dbraw/zinc/16/92/36/571169236.db2.gz CBOFUIUNGBBFFF-NRFANRHFSA-N -1 3 408.483 3.312 50 0 HGAAHM C[C@]1(c2cccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000040117839 571174764 /nfs/dbraw/zinc/17/47/64/571174764.db2.gz IHRXKNTVOYXNLU-HSZRJFAPSA-N -1 3 415.453 3.057 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)c(C)c1 ZINC000008977413 571198214 /nfs/dbraw/zinc/19/82/14/571198214.db2.gz CZPHVRYEBBJVCC-UHFFFAOYSA-N -1 3 400.500 3.099 50 0 HGAAHM CCOC(=O)C1CCN(C(=O)CSc2nnc([N-]c3ccccc3F)s2)CC1 ZINC000009403334 571254973 /nfs/dbraw/zinc/25/49/73/571254973.db2.gz MSOZFXQIQCKHMO-UHFFFAOYSA-N -1 3 424.523 3.315 50 0 HGAAHM COc1cccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccc(C)cc3)n2)c1 ZINC000009641168 571275794 /nfs/dbraw/zinc/27/57/94/571275794.db2.gz XDOUASCPWRHEGM-UHFFFAOYSA-N -1 3 421.482 3.132 50 0 HGAAHM O=S(=O)([N-]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Br ZINC000070762883 571276731 /nfs/dbraw/zinc/27/67/31/571276731.db2.gz UCVKJFJDSUCZKW-CQSZACIVSA-N -1 3 424.238 3.178 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009834469 571287584 /nfs/dbraw/zinc/28/75/84/571287584.db2.gz YZYXVCHTDLTNGJ-UHFFFAOYSA-N -1 3 408.501 3.097 50 0 HGAAHM O=S(=O)([N-]CCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)s1 ZINC000009852927 571288295 /nfs/dbraw/zinc/28/82/95/571288295.db2.gz YALOZHCHVHPQSA-UHFFFAOYSA-N -1 3 413.883 3.355 50 0 HGAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 ZINC000005136038 132302393 /nfs/dbraw/zinc/30/23/93/132302393.db2.gz KVHAAPWNKCTKBD-UHFFFAOYSA-N -1 3 408.545 3.343 50 0 HGAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl ZINC000032973868 518770921 /nfs/dbraw/zinc/77/09/21/518770921.db2.gz OWOGVGLPYZCHMG-UHFFFAOYSA-N -1 3 424.906 3.440 50 0 HGAAHM Cc1cc(C(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)n1C(C)C ZINC000032672063 524197036 /nfs/dbraw/zinc/19/70/36/524197036.db2.gz MUZDGJHJNHQBQY-OAHLLOKOSA-N -1 3 406.504 3.486 50 0 HGAAHM O=C(c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000021905492 526777126 /nfs/dbraw/zinc/77/71/26/526777126.db2.gz GEYAXWYFEXRZDO-HIFRSBDPSA-N -1 3 404.454 3.180 50 0 HGAAHM O=S(=O)([N-]Cc1ccccn1)c1cc(Br)ccc1Br ZINC000000860694 557103652 /nfs/dbraw/zinc/10/36/52/557103652.db2.gz QPWPDJQTVBKFJI-UHFFFAOYSA-N -1 3 406.099 3.085 50 0 HGAAHM Cc1onc(-c2ccccc2)c1C[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000001025380 557144965 /nfs/dbraw/zinc/14/49/65/557144965.db2.gz VQICOFBMTXWRBF-UHFFFAOYSA-N -1 3 408.892 3.491 50 0 HGAAHM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CCCC2 ZINC000001062369 557164725 /nfs/dbraw/zinc/16/47/25/557164725.db2.gz LPWDKVTZBBJLQT-UHFFFAOYSA-N -1 3 422.528 3.427 50 0 HGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000001177713 557228668 /nfs/dbraw/zinc/22/86/68/557228668.db2.gz BXRYXVFDNXJBEX-CYBMUJFWSA-N -1 3 400.818 3.073 50 0 HGAAHM CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002473870 557351092 /nfs/dbraw/zinc/35/10/92/557351092.db2.gz GPUZINVUWZFUSE-HNNXBMFYSA-N -1 3 414.911 3.321 50 0 HGAAHM CN1OC[C@@H](S(=O)(=O)[N-]CCc2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739036 557450040 /nfs/dbraw/zinc/45/00/40/557450040.db2.gz OPYWWEIMZNOKPI-NHCUHLMSSA-N -1 3 402.560 3.433 50 0 HGAAHM COCCSc1nnc([N-]C(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 ZINC000004815791 557601447 /nfs/dbraw/zinc/60/14/47/557601447.db2.gz RVMODYRGUXIMBV-UHFFFAOYSA-N -1 3 416.912 3.149 50 0 HGAAHM CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854076 557840881 /nfs/dbraw/zinc/84/08/81/557840881.db2.gz DJMNAXBAAVCEPT-MRXNPFEDSA-N -1 3 418.494 3.126 50 0 HGAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)on1 ZINC000020049437 558328283 /nfs/dbraw/zinc/32/82/83/558328283.db2.gz AEYSWULTYWDQSZ-UHFFFAOYSA-N -1 3 408.454 3.390 50 0 HGAAHM CCN(C(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)c1ccccc1 ZINC000012411830 558400951 /nfs/dbraw/zinc/40/09/51/558400951.db2.gz RBVLOKYUDKSWPX-UHFFFAOYSA-N -1 3 405.483 3.254 50 0 biogenic,in-vitro HGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000021989447 558457070 /nfs/dbraw/zinc/45/70/70/558457070.db2.gz UOFLTSFESJUVPE-UHFFFAOYSA-N -1 3 407.835 3.119 50 0 HGAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000023261256 558546852 /nfs/dbraw/zinc/54/68/52/558546852.db2.gz LMSMBCHDXFQWOF-JTQLQIEISA-N -1 3 406.451 3.443 50 0 HGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(C(C)C)nc21 ZINC000024442480 558597671 /nfs/dbraw/zinc/59/76/71/558597671.db2.gz MCPMSNCBUNEJJS-HNNXBMFYSA-N -1 3 420.513 3.456 50 0 HGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3cccc(Br)c3)n[nH]2)N1 ZINC000013959742 558608241 /nfs/dbraw/zinc/60/82/41/558608241.db2.gz YHLKKMJHEMWILG-AWEZNQCLSA-N -1 3 417.185 3.312 50 0 HGAAHM O=C(COc1ccc2cc(Br)ccc2c1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000013960178 558608366 /nfs/dbraw/zinc/60/83/66/558608366.db2.gz RBYVEPYFHDEVSW-OAHLLOKOSA-N -1 3 417.181 3.450 50 0 HGAAHM O=C(c1ccco1)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000014167552 558626622 /nfs/dbraw/zinc/62/66/22/558626622.db2.gz QTWSZUQSFYALJO-UHFFFAOYSA-N -1 3 403.287 3.170 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@H]3CCCO3)c2)cc1 ZINC000027913263 558684575 /nfs/dbraw/zinc/68/45/75/558684575.db2.gz RQZJFQZEZJOUIN-OXQOHEQNSA-N -1 3 402.516 3.402 50 0 HGAAHM O=C(c1cc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c[n-]1)N1CCCC1 ZINC000027949708 558685113 /nfs/dbraw/zinc/68/51/13/558685113.db2.gz KZEHGGVNYKAGGX-UHFFFAOYSA-N -1 3 424.569 3.497 50 0 HGAAHM C[C@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043464 558704309 /nfs/dbraw/zinc/70/43/09/558704309.db2.gz ORZAHIHXWILKII-QGZVFWFLSA-N -1 3 407.514 3.411 50 0 HGAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1 ZINC000015882058 558760567 /nfs/dbraw/zinc/76/05/67/558760567.db2.gz UCCJJVUTAULJQK-UHFFFAOYSA-N -1 3 420.498 3.163 50 0 HGAAHM C[C@@H](NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc2ccccc21 ZINC000072311921 558797983 /nfs/dbraw/zinc/79/79/83/558797983.db2.gz FOFOHLUNOQLBEY-GOSISDBHSA-N -1 3 417.509 3.181 50 0 HGAAHM COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000033028563 558852400 /nfs/dbraw/zinc/85/24/00/558852400.db2.gz YNPAQOOEXPVZTB-LLVKDONJSA-N -1 3 400.859 3.045 50 0 HGAAHM CN(C)C(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1 ZINC000033114312 558876324 /nfs/dbraw/zinc/87/63/24/558876324.db2.gz YLKRBOKVGUCWIU-UHFFFAOYSA-N -1 3 400.435 3.210 50 0 HGAAHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1CCOc1ccccc1 ZINC000058008535 558894922 /nfs/dbraw/zinc/89/49/22/558894922.db2.gz CRXPKDBLIVBNOJ-UHFFFAOYSA-N -1 3 404.514 3.022 50 0 HGAAHM COc1ccc(Cc2noc([C@H]3CCCN3C(=O)c3ccccc3[O-])n2)cc1OC ZINC000097102686 558994256 /nfs/dbraw/zinc/99/42/56/558994256.db2.gz GYZAYVXPVFEEHP-MRXNPFEDSA-N -1 3 409.442 3.361 50 0 HGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccc(Cl)s2)C3)cc1 ZINC000097123602 558995753 /nfs/dbraw/zinc/99/57/53/558995753.db2.gz WOHZURDYXPDYCX-UHFFFAOYSA-N -1 3 401.875 3.359 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000004879960 559196126 /nfs/dbraw/zinc/19/61/26/559196126.db2.gz ZYRVECOSVHQEHR-CYBMUJFWSA-N -1 3 401.579 3.444 50 0 HGAAHM COc1ccc(CNC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000004908917 559201096 /nfs/dbraw/zinc/20/10/96/559201096.db2.gz QRFDNWGOSQIECS-UHFFFAOYSA-N -1 3 422.572 3.158 50 0 HGAAHM COc1cccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000004908890 559201135 /nfs/dbraw/zinc/20/11/35/559201135.db2.gz CNTMSVNRNJZZMR-UHFFFAOYSA-N -1 3 408.545 3.480 50 0 HGAAHM Cc1ccc(NC(=O)[C@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000011719561 559254994 /nfs/dbraw/zinc/25/49/94/559254994.db2.gz XWIFJRJDBBQPLJ-INIZCTEOSA-N -1 3 421.588 3.135 50 0 HGAAHM Cc1ccc(NC(=O)CSCC(=O)OCc2nc3ccsc3c(=O)[n-]2)c(C)c1 ZINC000005174377 559288570 /nfs/dbraw/zinc/28/85/70/559288570.db2.gz RXGWVSCUWXPKBT-UHFFFAOYSA-N -1 3 417.512 3.017 50 0 HGAAHM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000061720044 560536330 /nfs/dbraw/zinc/53/63/30/560536330.db2.gz NGYLTAAUUAIWIG-SFHVURJKSA-N -1 3 415.921 3.187 50 0 HGAAHM C[C@@H](OC(=O)[C@H]1SCCc2ccccc21)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000078951642 560541017 /nfs/dbraw/zinc/54/10/17/560541017.db2.gz VKMLINHDBJABKC-YJYMSZOUSA-N -1 3 419.524 3.203 50 0 HGAAHM CN1CC[C@@H](c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@@H](O)C1 ZINC000018825325 560544880 /nfs/dbraw/zinc/54/48/80/560544880.db2.gz BIIVYFLTOXDAOV-PXAZEXFGSA-N -1 3 401.846 3.305 50 0 HGAAHM CC[C@@H]1CCCCN1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795867 560801356 /nfs/dbraw/zinc/80/13/56/560801356.db2.gz DZJNVTZDDAFDKE-QGZVFWFLSA-N -1 3 400.914 3.448 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1OC ZINC000102558973 560818016 /nfs/dbraw/zinc/81/80/16/560818016.db2.gz SDEUKQBEQZDDCN-YOEHRIQHSA-N -1 3 421.236 3.303 50 0 HGAAHM CCc1ccccc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000051316654 560856597 /nfs/dbraw/zinc/85/65/97/560856597.db2.gz DCDZDNFHLQPQSP-UHFFFAOYSA-N -1 3 405.483 3.402 50 0 HGAAHM CCc1ccccc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000051316654 560856599 /nfs/dbraw/zinc/85/65/99/560856599.db2.gz DCDZDNFHLQPQSP-UHFFFAOYSA-N -1 3 405.483 3.402 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)cc1C ZINC000051316652 560856646 /nfs/dbraw/zinc/85/66/46/560856646.db2.gz IFWBZZUUHMFYJT-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)cc1C ZINC000051316652 560856648 /nfs/dbraw/zinc/85/66/48/560856648.db2.gz IFWBZZUUHMFYJT-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000085737250 560868763 /nfs/dbraw/zinc/86/87/63/560868763.db2.gz OFPIWSPXTFGADG-ZDUSSCGKSA-N -1 3 400.504 3.343 50 0 HGAAHM Cc1ccc2nc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc(=O)n2c1 ZINC000046031594 568424496 /nfs/dbraw/zinc/42/44/96/568424496.db2.gz FYSCKYKSNFYXGQ-UHFFFAOYSA-N -1 3 415.525 3.461 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000046074105 568426715 /nfs/dbraw/zinc/42/67/15/568426715.db2.gz AMKNBYIERCBKCN-JTQLQIEISA-N -1 3 406.895 3.298 50 0 HGAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074538 568427033 /nfs/dbraw/zinc/42/70/33/568427033.db2.gz IPKMXAQREUOWED-MRXNPFEDSA-N -1 3 420.494 3.435 50 0 HGAAHM COc1ccc(CNC(=O)[C@@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1OC ZINC000007260103 568478008 /nfs/dbraw/zinc/47/80/08/568478008.db2.gz DHLQOWVTLJYWKS-LLVKDONJSA-N -1 3 404.517 3.347 50 0 HGAAHM CC(=O)c1ccccc1OCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000022473445 568486378 /nfs/dbraw/zinc/48/63/78/568486378.db2.gz MEZZURRLSXKPRX-UHFFFAOYSA-N -1 3 406.467 3.483 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Cl ZINC000020154278 568590859 /nfs/dbraw/zinc/59/08/59/568590859.db2.gz BQAIOEKHJGLKGM-CQSZACIVSA-N -1 3 418.993 3.118 50 0 HGAAHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC000040088566 568615254 /nfs/dbraw/zinc/61/52/54/568615254.db2.gz KPAYZMBLDGAROH-CYBMUJFWSA-N -1 3 401.467 3.066 50 0 HGAAHM COc1ccc2cc([C@@H]3SCC(=O)Nc4c3c(=O)[n-]n4C(C)C)c(=O)[nH]c2c1 ZINC000095480365 568633185 /nfs/dbraw/zinc/63/31/85/568633185.db2.gz ZDBWRHQPCBTCIP-INIZCTEOSA-N -1 3 400.460 3.032 50 0 HGAAHM CCn1cnnc1-c1cccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000095948870 568665712 /nfs/dbraw/zinc/66/57/12/568665712.db2.gz BRTLJOKNILZDCL-YWZLYKJASA-N -1 3 402.520 3.102 50 0 HGAAHM O=C(Nc1ccccc1Cl)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2 ZINC000096095761 568688559 /nfs/dbraw/zinc/68/85/59/568688559.db2.gz PDIPONVMQIBTKM-BYCMXARLSA-N -1 3 411.936 3.375 50 0 HGAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(Br)s2)o1 ZINC000096115933 568695479 /nfs/dbraw/zinc/69/54/79/568695479.db2.gz SMSXHSZQSRKHJG-VIFPVBQESA-N -1 3 403.250 3.011 50 0 biogenic HGAAHM CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000021537364 568712431 /nfs/dbraw/zinc/71/24/31/568712431.db2.gz PVGJQHGWPJRWDJ-UHFFFAOYSA-N -1 3 405.483 3.378 50 0 HGAAHM COc1cc([C@@H](c2sc3ncnn3c2[O-])N2CCC(C)CC2)cc(OC)c1OC ZINC000022609945 568772023 /nfs/dbraw/zinc/77/20/23/568772023.db2.gz YLAKGTZHKRVOOQ-INIZCTEOSA-N -1 3 418.519 3.344 50 0 HGAAHM C[C@@H](Cc1ccc2c(c1)CCO2)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000225602866 568775981 /nfs/dbraw/zinc/77/59/81/568775981.db2.gz HNZPRFYKAASFBY-JTQLQIEISA-N -1 3 402.335 3.355 50 0 HGAAHM O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cc(=O)[n-]c(=O)[nH]1 ZINC000002620797 568787603 /nfs/dbraw/zinc/78/76/03/568787603.db2.gz WDYBUDTVBCZMBE-UHFFFAOYSA-N -1 3 402.204 3.283 50 0 HGAAHM Cc1ccc(C(=O)c2sc3c(c2N)c(=O)[n-]c(=O)n3CCc2ccccc2)cc1 ZINC000002659895 568798694 /nfs/dbraw/zinc/79/86/94/568798694.db2.gz GLCXDWDZKNHPCT-UHFFFAOYSA-N -1 3 405.479 3.116 50 0 HGAAHM O=C(C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1cccnc1 ZINC000002938552 568818796 /nfs/dbraw/zinc/81/87/96/568818796.db2.gz DFCKLWYHRRMRBY-KRWDZBQOSA-N -1 3 419.890 3.054 50 0 HGAAHM NC(=O)c1c2c(sc1NC(=O)CSc1n[n-]c(-c3cccs3)n1)CCCC2 ZINC000003326107 568881290 /nfs/dbraw/zinc/88/12/90/568881290.db2.gz HXCBSCDFSQOMKU-UHFFFAOYSA-N -1 3 419.557 3.303 50 0 HGAAHM O=c1c([C@@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c(=S)n1CCc1ccccc1 ZINC000001322939 568914744 /nfs/dbraw/zinc/91/47/44/568914744.db2.gz GUDYFMZGYBKFRU-FQEVSTJZSA-N -1 3 418.522 3.197 50 0 biogenic HGAAHM O=C(c1cccc(Br)c1)N1NC(C(F)(F)F)=C[C@]1([O-])C(F)(F)F ZINC000004143242 568916078 /nfs/dbraw/zinc/91/60/78/568916078.db2.gz PRSXTZUCPXNACB-JTQLQIEISA-N -1 3 405.092 3.464 50 0 HGAAHM CC1CCN(CCCn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)CC1 ZINC000004004716 568933064 /nfs/dbraw/zinc/93/30/64/568933064.db2.gz CNKUXSXKBIFRCY-UHFFFAOYSA-N -1 3 402.564 3.018 50 0 HGAAHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(=O)[n-]1 ZINC000012750051 568937969 /nfs/dbraw/zinc/93/79/69/568937969.db2.gz KGWNWKNPXBSSLD-UHFFFAOYSA-N -1 3 404.442 3.284 50 0 HGAAHM COC[C@@H](C)NC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012778366 568956178 /nfs/dbraw/zinc/95/61/78/568956178.db2.gz XGENUBGDCTYUFB-OLZOCXBDSA-N -1 3 417.556 3.424 50 0 HGAAHM O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000008180783 568979963 /nfs/dbraw/zinc/97/99/63/568979963.db2.gz JQCAVVMTRXKOMQ-UHFFFAOYSA-N -1 3 404.875 3.342 50 0 HGAAHM COc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1OC ZINC000012812841 568986892 /nfs/dbraw/zinc/98/68/92/568986892.db2.gz HCHPQIQMSTWIKT-UHFFFAOYSA-N -1 3 412.486 3.219 50 0 HGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000015883386 569019320 /nfs/dbraw/zinc/01/93/20/569019320.db2.gz KRJWGCXQBADPDO-UHFFFAOYSA-N -1 3 416.286 3.293 50 0 HGAAHM O=C(OCc1cccc(F)c1F)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000012883842 569019348 /nfs/dbraw/zinc/01/93/48/569019348.db2.gz WGBFNZIIFADBNK-UHFFFAOYSA-N -1 3 401.818 3.416 50 0 HGAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1cccc(Cl)c1Cl ZINC000012897885 569020458 /nfs/dbraw/zinc/02/04/58/569020458.db2.gz VOJVZFUCWMSVTD-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c([O-])c1 ZINC000012920198 569022954 /nfs/dbraw/zinc/02/29/54/569022954.db2.gz JSJMBZDDCVGJQX-UHFFFAOYSA-N -1 3 414.527 3.229 50 0 HGAAHM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC000012926042 569023758 /nfs/dbraw/zinc/02/37/58/569023758.db2.gz WWMQZRMZCAGNJP-ZIAGYGMSSA-N -1 3 408.907 3.390 50 0 HGAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575610791 569032447 /nfs/dbraw/zinc/03/24/47/569032447.db2.gz APDFNSCSWWUTMY-HXUWFJFHSA-N -1 3 409.935 3.074 50 0 HGAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)NCc3ccccc3OC(F)(F)F)co2)no1 ZINC000090583216 569041321 /nfs/dbraw/zinc/04/13/21/569041321.db2.gz LFIOFIPANRPTQK-UHFFFAOYSA-N -1 3 410.308 3.052 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCCCCC1 ZINC000012974417 569041996 /nfs/dbraw/zinc/04/19/96/569041996.db2.gz YMMUTCRSARGFJR-MRXNPFEDSA-N -1 3 402.557 3.018 50 0 HGAAHM CC(C)S(=O)(=O)c1ccc(Cc2nnc([N-]C(=O)c3ccc(F)c(F)c3)o2)cc1 ZINC000035588406 569046155 /nfs/dbraw/zinc/04/61/55/569046155.db2.gz VXFHRIVCRYHOOW-UHFFFAOYSA-N -1 3 421.425 3.373 50 0 HGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)N1 ZINC000006394836 569046546 /nfs/dbraw/zinc/04/65/46/569046546.db2.gz JMGCCARUHAHHPU-ZDUSSCGKSA-N -1 3 400.735 3.211 50 0 HGAAHM COc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000001803635 569053447 /nfs/dbraw/zinc/05/34/47/569053447.db2.gz OQHIGQNYZKAIPR-GOEBONIOSA-N -1 3 417.259 3.333 50 0 biogenic HGAAHM COc1ccc(OC)c(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)c1 ZINC000006508897 569061889 /nfs/dbraw/zinc/06/18/89/569061889.db2.gz ZELSHKHPCKKJSS-UHFFFAOYSA-N -1 3 410.459 3.134 50 0 HGAAHM O=C([N-]c1ccccc1F)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000006748079 569108414 /nfs/dbraw/zinc/10/84/14/569108414.db2.gz RZIAJGKLGCNSAV-UHFFFAOYSA-N -1 3 405.838 3.495 50 0 HGAAHM Cc1cccc(Cc2nnc(CC[N-]S(=O)(=O)c3ccccc3C(F)(F)F)[nH]2)c1 ZINC000064969830 569138571 /nfs/dbraw/zinc/13/85/71/569138571.db2.gz QIXHLKCCZUIUNF-UHFFFAOYSA-N -1 3 424.448 3.244 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(CC)CC3)c(C)c2)cc1 ZINC000036397155 569170133 /nfs/dbraw/zinc/17/01/33/569170133.db2.gz XQTTURMVYOLLCY-UHFFFAOYSA-N -1 3 403.548 3.336 50 0 HGAAHM O=S(=O)([N-]C[C@H]1CCCO1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098089 569177034 /nfs/dbraw/zinc/17/70/34/569177034.db2.gz PESGUXIEOJVAJU-CQSZACIVSA-N -1 3 409.464 3.062 50 0 HGAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC1CCCCCC1 ZINC000007095120 569219568 /nfs/dbraw/zinc/21/95/68/569219568.db2.gz GNTIDADUOWJVDK-AWEZNQCLSA-N -1 3 411.531 3.428 50 0 HGAAHM COc1cc2c(cc1OC)[C@@H](c1c(=O)[nH]c(=S)n(C3CCCCC3)c1[O-])NCC2 ZINC000017197452 569276513 /nfs/dbraw/zinc/27/65/13/569276513.db2.gz XJUKIFZZMNYBHQ-SFHVURJKSA-N -1 3 417.531 3.369 50 0 HGAAHM COc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002878138 569278451 /nfs/dbraw/zinc/27/84/51/569278451.db2.gz BOVZTNAHQLIZSF-JTQLQIEISA-N -1 3 403.287 3.308 50 0 HGAAHM COc1cc(OC)c(OC)cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007704800 569301474 /nfs/dbraw/zinc/30/14/74/569301474.db2.gz BIZRYQQXGXNWON-UHFFFAOYSA-N -1 3 406.287 3.498 50 0 HGAAHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)cc1Cl ZINC000253425515 569368176 /nfs/dbraw/zinc/36/81/76/569368176.db2.gz UKYLCNQSZHCVHV-UHFFFAOYSA-N -1 3 402.238 3.301 50 0 HGAAHM O=C1C[C@H](c2cccc(Br)c2)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655800 569389800 /nfs/dbraw/zinc/38/98/00/569389800.db2.gz PVBHHPOBLCRQQS-CYBMUJFWSA-N -1 3 403.280 3.409 50 0 HGAAHM O=S(=O)([N-]c1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(F)cc1 ZINC000013009958 569407187 /nfs/dbraw/zinc/40/71/87/569407187.db2.gz IPZSEFHMDCQAFC-UHFFFAOYSA-N -1 3 410.434 3.346 50 0 HGAAHM Cc1c([O-])ccc2c(COC(=O)c3nn(C(C)C)c(=O)c4ccccc43)cc(=O)oc12 ZINC000040159267 571205472 /nfs/dbraw/zinc/20/54/72/571205472.db2.gz AOPCMQQAQYSFSH-UHFFFAOYSA-N -1 3 420.421 3.455 50 0 HGAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1C ZINC000009173628 571234350 /nfs/dbraw/zinc/23/43/50/571234350.db2.gz PTHAJTOVXCMIJF-UHFFFAOYSA-N -1 3 404.488 3.470 50 0 HGAAHM C[C@@]1(c2ccc3c(c2)OCO3)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009362827 571251690 /nfs/dbraw/zinc/25/16/90/571251690.db2.gz PDMFWAGWECKFJX-SFHVURJKSA-N -1 3 414.286 3.078 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]Cc3ccccc3OC)s2)on1 ZINC000009688902 571280265 /nfs/dbraw/zinc/28/02/65/571280265.db2.gz DIYYGUPTFMAPOX-UHFFFAOYSA-N -1 3 422.484 3.067 50 0 HGAAHM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000071279359 571290334 /nfs/dbraw/zinc/29/03/34/571290334.db2.gz MDLHJZWJEDDMCO-INIZCTEOSA-N -1 3 401.894 3.192 50 0 HGAAHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000010518394 571304166 /nfs/dbraw/zinc/30/41/66/571304166.db2.gz DBLZSTGPOWOVNB-ZHACJKMWSA-N -1 3 412.920 3.193 50 0 HGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CCC3)c(C)c1 ZINC000005136850 132302968 /nfs/dbraw/zinc/30/29/68/132302968.db2.gz UGURBGAOHFQMNX-UHFFFAOYSA-N -1 3 408.545 3.125 50 0 HGAAHM COc1c(C)cnc(CN2CCN([C@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c1C ZINC000031811172 521812020 /nfs/dbraw/zinc/81/20/20/521812020.db2.gz FXJBPRPUTHLKMP-QFIPXVFZSA-N -1 3 422.529 3.440 50 0 HGAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCOCC3)c(C)c2[O-])cc1 ZINC000020590300 523082379 /nfs/dbraw/zinc/08/23/79/523082379.db2.gz PMWDWXJCOVQICT-UHFFFAOYSA-N -1 3 409.486 3.477 50 0 HGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043957163 524325995 /nfs/dbraw/zinc/32/59/95/524325995.db2.gz SVPMKKJFMBVWQV-UHFFFAOYSA-N -1 3 422.478 3.024 50 0 HGAAHM Cc1ccccc1OCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000032933243 525304914 /nfs/dbraw/zinc/30/49/14/525304914.db2.gz UZGUZSNSHJWSLA-UHFFFAOYSA-N -1 3 418.446 3.499 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000032837295 526513447 /nfs/dbraw/zinc/51/34/47/526513447.db2.gz MYZZTPLYQVZNRK-CYBMUJFWSA-N -1 3 416.977 3.423 50 0 HGAAHM O=S(=O)([N-]C1CCN(Cc2ccccc2Br)CC1)c1cccs1 ZINC000032865315 527209589 /nfs/dbraw/zinc/20/95/89/527209589.db2.gz FXAKIDLRMUEPMO-UHFFFAOYSA-N -1 3 415.378 3.454 50 0 HGAAHM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1[O-] ZINC000000663769 557044545 /nfs/dbraw/zinc/04/45/45/557044545.db2.gz VBHANTJIZKDOQH-VGOFMYFVSA-N -1 3 421.222 3.395 50 0 HGAAHM O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([O-])cc1)C2=O)c1ccccc1 ZINC000000991343 557134762 /nfs/dbraw/zinc/13/47/62/557134762.db2.gz MQCGTHKTQMEKBP-UHFFFAOYSA-N -1 3 401.374 3.233 50 0 HGAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)NC2CCCCC2)c(OC)c1)C(F)(F)F ZINC000002870551 557414697 /nfs/dbraw/zinc/41/46/97/557414697.db2.gz DPWSZACORYXCFS-SFHVURJKSA-N -1 3 418.412 3.462 50 0 HGAAHM Cc1cccc(C[N-]S(=O)(=O)[C@@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000034738664 557448712 /nfs/dbraw/zinc/44/87/12/557448712.db2.gz UZUJVYCADVRNII-QZTJIDSGSA-N -1 3 414.449 3.420 50 0 HGAAHM CN1OC[C@H](S(=O)(=O)[N-]CCc2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739039 557449972 /nfs/dbraw/zinc/44/99/72/557449972.db2.gz OPYWWEIMZNOKPI-SFTDATJTSA-N -1 3 402.560 3.433 50 0 HGAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)c(Cl)c2)c1C ZINC000071894759 557504306 /nfs/dbraw/zinc/50/43/06/557504306.db2.gz FKHRTMRBUCROFX-UHFFFAOYSA-N -1 3 421.950 3.311 50 0 HGAAHM COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1[N-]C(=O)c1cnccn1 ZINC000002763123 557755997 /nfs/dbraw/zinc/75/59/97/557755997.db2.gz UGRLNTPUYRRIPO-UHFFFAOYSA-N -1 3 410.455 3.446 50 0 HGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccc2cccnc21 ZINC000009260454 557833250 /nfs/dbraw/zinc/83/32/50/557833250.db2.gz RCCRJVPFSVOVFV-HXUWFJFHSA-N -1 3 408.483 3.304 50 0 HGAAHM CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853638 557840289 /nfs/dbraw/zinc/84/02/89/557840289.db2.gz WLCZUHHYLKPPGS-KRWDZBQOSA-N -1 3 414.531 3.342 50 0 HGAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000012987592 558495846 /nfs/dbraw/zinc/49/58/46/558495846.db2.gz YHDNTUGHODBIOV-HXUWFJFHSA-N -1 3 424.497 3.441 50 0 HGAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1c(Cl)cccc1Cl ZINC000012996918 558498880 /nfs/dbraw/zinc/49/88/80/558498880.db2.gz VLRNCOZAJDQMSQ-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM CC(C)(C)c1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000013689531 558571844 /nfs/dbraw/zinc/57/18/44/558571844.db2.gz VMSQVOWYADOARQ-UHFFFAOYSA-N -1 3 401.470 3.336 50 0 HGAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1C ZINC000013843129 558597375 /nfs/dbraw/zinc/59/73/75/558597375.db2.gz MJIKGQODKHDAMP-UHFFFAOYSA-N -1 3 415.284 3.447 50 0 HGAAHM Cc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4cccs4)n3n2)cc1 ZINC000004479875 558602396 /nfs/dbraw/zinc/60/23/96/558602396.db2.gz YGOPBOBYJGYANA-UHFFFAOYSA-N -1 3 404.542 3.349 50 0 HGAAHM Cc1cc([N-]C(=O)[C@H](C)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)on1 ZINC000026601173 558663405 /nfs/dbraw/zinc/66/34/05/558663405.db2.gz LNRPYPOJAYMYJM-IRXDYDNUSA-N -1 3 424.505 3.047 50 0 HGAAHM COC(=O)c1ccc([C@@H]2c3ccc(OC(C)=O)cc3Oc3nc(C)[n-]c(=O)c32)cc1 ZINC000015083232 558719736 /nfs/dbraw/zinc/71/97/36/558719736.db2.gz DSIACCKQFMOPAE-GOSISDBHSA-N -1 3 406.394 3.076 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2F)cc1 ZINC000033868981 558771951 /nfs/dbraw/zinc/77/19/51/558771951.db2.gz YNJDDIWTNRHTJC-UHFFFAOYSA-N -1 3 407.204 3.240 50 0 HGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)N1 ZINC000017091656 558820181 /nfs/dbraw/zinc/82/01/81/558820181.db2.gz SUVONXNXQMITSB-LBPRGKRZSA-N -1 3 418.725 3.292 50 0 HGAAHM O=C(c1ccn(COc2ccc(Cl)cc2Cl)n1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000017093435 558821993 /nfs/dbraw/zinc/82/19/93/558821993.db2.gz HFVRXASQUPSUGQ-CQSZACIVSA-N -1 3 423.178 3.309 50 0 HGAAHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Br)ccc1[O-] ZINC000072314349 558845353 /nfs/dbraw/zinc/84/53/53/558845353.db2.gz PKBCZDWMNIOZSI-QGZVFWFLSA-N -1 3 416.275 3.322 50 0 HGAAHM COC(=O)c1cc(C)nc2nc(SCc3nc(Cc4ccccc4)no3)[n-]c(=O)c12 ZINC000058008983 558894926 /nfs/dbraw/zinc/89/49/26/558894926.db2.gz MOBCQFBERHMIFO-UHFFFAOYSA-N -1 3 423.454 3.092 50 0 HGAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(COC(C)C)cc1 ZINC000058055257 558897337 /nfs/dbraw/zinc/89/73/37/558897337.db2.gz APMGTZVAXRBLSC-UHFFFAOYSA-N -1 3 420.513 3.314 50 0 HGAAHM CCCCN(C)C(=O)C(=C([O-])c1ccc(Br)cc1)n1ccccc1=O ZINC000004689244 558899182 /nfs/dbraw/zinc/89/91/82/558899182.db2.gz WBUXKSJSPMQADO-KRWDZBQOSA-N -1 3 405.292 3.293 50 0 HGAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000058180722 558910311 /nfs/dbraw/zinc/91/03/11/558910311.db2.gz JIWHAJVCTMTGOI-UHFFFAOYSA-N -1 3 414.277 3.192 50 0 HGAAHM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000058265520 558915617 /nfs/dbraw/zinc/91/56/17/558915617.db2.gz VQKKTTJDNKYUDA-UHFFFAOYSA-N -1 3 401.440 3.291 50 0 HGAAHM CNC(=O)N([O-])[C@H]1N(NC(=O)Nc2cccc3ccccc32)C(=S)SC1(C)C ZINC000004732493 559033210 /nfs/dbraw/zinc/03/32/10/559033210.db2.gz UZCGTEYJNIWDGR-CQSZACIVSA-N -1 3 419.532 3.345 50 0 HGAAHM CCNC(=O)N(Cc1ccco1)Cc1nc(CC)c(Cc2cccc(OC)c2)c(=O)[n-]1 ZINC000096317895 559109816 /nfs/dbraw/zinc/10/98/16/559109816.db2.gz KIYQNWGIWBVFQD-UHFFFAOYSA-N -1 3 424.501 3.256 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004862961 559193330 /nfs/dbraw/zinc/19/33/30/559193330.db2.gz DFAQYSXEXHQLIA-RDJZCZTQSA-N -1 3 402.237 3.317 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccc(Cl)cc1 ZINC000004879844 559196133 /nfs/dbraw/zinc/19/61/33/559196133.db2.gz RFIUYUAFEQSSNB-MRXNPFEDSA-N -1 3 400.953 3.063 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1Br ZINC000005126589 559248199 /nfs/dbraw/zinc/24/81/99/559248199.db2.gz UVYGQRQGMQWKCS-UHFFFAOYSA-N -1 3 414.277 3.420 50 0 HGAAHM CN(C)S(=O)(=O)n1nc(/C=C/c2ccc(Cl)cc2)nc1-c1ccccc1[O-] ZINC000005274344 560561342 /nfs/dbraw/zinc/56/13/42/560561342.db2.gz VJAMKCKDZIDDMV-FMIVXFBMSA-N -1 3 404.879 3.129 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccccc3OCC)cc(C(C)C)nc21 ZINC000024442980 560819348 /nfs/dbraw/zinc/81/93/48/560819348.db2.gz HMVZVUDQWCLMDE-UHFFFAOYSA-N -1 3 410.474 3.269 50 0 HGAAHM C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)NC(=O)[N-]C1=O ZINC000104119752 560848269 /nfs/dbraw/zinc/84/82/69/560848269.db2.gz DEANHWUANRTGEH-HBBPJZECSA-N -1 3 415.559 3.466 50 0 HGAAHM COCCN(Cc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[n-]1)C(=O)CC(C)C ZINC000096317993 560848811 /nfs/dbraw/zinc/84/88/11/560848811.db2.gz PHJFUVXIFATEKT-UHFFFAOYSA-N -1 3 405.926 3.344 50 0 HGAAHM Cc1cccc(C)c1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000051316680 560856505 /nfs/dbraw/zinc/85/65/05/560856505.db2.gz KRVHYEXRBDVPHN-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM Cc1cccc(C)c1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000051316680 560856506 /nfs/dbraw/zinc/85/65/06/560856506.db2.gz KRVHYEXRBDVPHN-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)C2CC2)cc1Cl ZINC000012068252 560888203 /nfs/dbraw/zinc/88/82/03/560888203.db2.gz VNVZUVZZLMIZCN-UHFFFAOYSA-N -1 3 406.891 3.449 50 0 HGAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 ZINC000012180387 560891161 /nfs/dbraw/zinc/89/11/61/560891161.db2.gz BMXNFHJJUUILRE-UHFFFAOYSA-N -1 3 415.515 3.443 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074116 568426769 /nfs/dbraw/zinc/42/67/69/568426769.db2.gz ZAYHSCPKDXTYRN-NSHDSACASA-N -1 3 406.895 3.298 50 0 HGAAHM CC(C)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)N1CCCCC1 ZINC000049590135 568453023 /nfs/dbraw/zinc/45/30/23/568453023.db2.gz BYERTFIWGYLFBM-UHFFFAOYSA-N -1 3 403.548 3.206 50 0 HGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(S(C)(=O)=O)sc3c2)c(C)c1 ZINC000033298952 568513124 /nfs/dbraw/zinc/51/31/24/568513124.db2.gz AMDYWOXSXORUGD-UHFFFAOYSA-N -1 3 410.542 3.426 50 0 HGAAHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(OC)cc2)N1 ZINC000020036682 568586689 /nfs/dbraw/zinc/58/66/89/568586689.db2.gz NICDUCJULYUMTG-KRWDZBQOSA-N -1 3 401.385 3.053 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3ccc(C)cc3)c2)S1 ZINC000020896456 568649074 /nfs/dbraw/zinc/64/90/74/568649074.db2.gz BPARBQHSWPDOSY-HXUWFJFHSA-N -1 3 413.499 3.454 50 0 HGAAHM CC(=O)c1cccc(NC(=O)N2CCc3c(nc(-c4ccc(F)cc4)[n-]c3=O)C2)c1 ZINC000097097749 568767817 /nfs/dbraw/zinc/76/78/17/568767817.db2.gz AERBEUJEHFKIJO-UHFFFAOYSA-N -1 3 406.417 3.369 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)N1CCc2ccccc21 ZINC000002717756 568802710 /nfs/dbraw/zinc/80/27/10/568802710.db2.gz XWJFEWFRYJODJL-UHFFFAOYSA-N -1 3 403.467 3.203 50 0 HGAAHM O=C(C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1cccnc1 ZINC000002938554 568818765 /nfs/dbraw/zinc/81/87/65/568818765.db2.gz DFCKLWYHRRMRBY-QGZVFWFLSA-N -1 3 419.890 3.054 50 0 HGAAHM COc1cc(OC)cc(C(=O)OCc2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)c1 ZINC000003271297 568850245 /nfs/dbraw/zinc/85/02/45/568850245.db2.gz OCFLPVNOAOBEHY-NSHDSACASA-N -1 3 414.483 3.484 50 0 HGAAHM CCOC(=O)c1[n-]c(COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C(=O)OCC)c1C ZINC000003247304 568867304 /nfs/dbraw/zinc/86/73/04/568867304.db2.gz IDNWBIGHNIQADG-MRXNPFEDSA-N -1 3 406.262 3.304 50 0 HGAAHM COc1cccc(OC)c1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000003305706 568877456 /nfs/dbraw/zinc/87/74/56/568877456.db2.gz WDHIPCSPVIFCNI-NSHDSACASA-N -1 3 414.483 3.484 50 0 HGAAHM CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(COC)o2)cc1 ZINC000004034485 568879109 /nfs/dbraw/zinc/87/91/09/568879109.db2.gz YMEULINJLJVWPR-UHFFFAOYSA-N -1 3 424.523 3.059 50 0 HGAAHM O=C(OCc1cc(-c2ccccc2)no1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000031276915 568921769 /nfs/dbraw/zinc/92/17/69/568921769.db2.gz ZYQDFMUTRKJBAM-UHFFFAOYSA-N -1 3 416.430 3.278 50 0 HGAAHM O=C(NC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1)c1ccccc1 ZINC000025828802 568922556 /nfs/dbraw/zinc/92/25/56/568922556.db2.gz CSMOAGCSZXSOQL-UHFFFAOYSA-N -1 3 402.454 3.476 50 0 HGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(Br)ccc2F)ccc1F ZINC000012735413 568924445 /nfs/dbraw/zinc/92/44/45/568924445.db2.gz XIBVKPLLMMVALH-UHFFFAOYSA-N -1 3 405.220 3.351 50 0 HGAAHM C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012745447 568931158 /nfs/dbraw/zinc/93/11/58/568931158.db2.gz VCMIGJCZJVKNRF-SNVBAGLBSA-N -1 3 422.304 3.173 50 0 HGAAHM Cc1cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccccc2F)ccc1Br ZINC000012776059 568954578 /nfs/dbraw/zinc/95/45/78/568954578.db2.gz AJOBXRCREDRYQP-LLVKDONJSA-N -1 3 415.284 3.202 50 0 HGAAHM CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2[N-]C(=O)c1ccco1 ZINC000004265837 568956029 /nfs/dbraw/zinc/95/60/29/568956029.db2.gz NLAOXWMPMCRNIM-UHFFFAOYSA-N -1 3 409.423 3.469 50 0 HGAAHM C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000008036094 568969668 /nfs/dbraw/zinc/96/96/68/568969668.db2.gz XJBCKJIGJRGJMU-LLVKDONJSA-N -1 3 406.533 3.225 50 0 HGAAHM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000012851056 569010474 /nfs/dbraw/zinc/01/04/74/569010474.db2.gz XOPCLHJVZUKJRI-OKILXGFUSA-N -1 3 408.907 3.390 50 0 HGAAHM O=S(=O)([N-]CC[C@H](CCO)c1cccs1)c1ccc(Br)s1 ZINC000575605501 569032071 /nfs/dbraw/zinc/03/20/71/569032071.db2.gz ASCGQQNCAHEHDB-SNVBAGLBSA-N -1 3 410.380 3.407 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC000035453204 569037701 /nfs/dbraw/zinc/03/77/01/569037701.db2.gz RWQCTSVWUOAQTA-GOSISDBHSA-N -1 3 411.487 3.299 50 0 HGAAHM Cc1c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000006368683 569046037 /nfs/dbraw/zinc/04/60/37/569046037.db2.gz IAOLZNSXENKYBE-UHFFFAOYSA-N -1 3 411.405 3.304 50 0 HGAAHM COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(C)c4[O-])C3)C2=O)c1 ZINC000426465526 569073076 /nfs/dbraw/zinc/07/30/76/569073076.db2.gz XESMQJJAVHIYCO-XMMPIXPASA-N -1 3 408.498 3.364 50 0 HGAAHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2s1 ZINC000064946731 569128511 /nfs/dbraw/zinc/12/85/11/569128511.db2.gz QHOCQGSAOADECR-UHFFFAOYSA-N -1 3 403.254 3.292 50 0 HGAAHM Cc1ccc(N(C)S(=O)(=O)c2nnc([N-]C(=O)c3ccccc3F)s2)cc1 ZINC000006818369 569138298 /nfs/dbraw/zinc/13/82/98/569138298.db2.gz ONGVODMAIOEPNU-UHFFFAOYSA-N -1 3 406.464 3.063 50 0 HGAAHM O=C(c1ccc(F)cc1)N1CCC(CC[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000065007210 569152986 /nfs/dbraw/zinc/15/29/86/569152986.db2.gz YPGBBCYIEXHKNG-UHFFFAOYSA-N -1 3 408.470 3.186 50 0 HGAAHM O=C([N-]c1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002456894 569163210 /nfs/dbraw/zinc/16/32/10/569163210.db2.gz HETZBPREYFGYBC-UHFFFAOYSA-N -1 3 418.500 3.225 50 0 HGAAHM CC(C)CCNC(=O)NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000006887439 569170765 /nfs/dbraw/zinc/17/07/65/569170765.db2.gz UCZPBXODAIIHAX-UHFFFAOYSA-N -1 3 411.915 3.001 50 0 HGAAHM Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000007026471 569201608 /nfs/dbraw/zinc/20/16/08/569201608.db2.gz NXTPJLWZXZFUCM-NSHDSACASA-N -1 3 407.473 3.373 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1nc2ccccc2s1 ZINC000036621816 569212281 /nfs/dbraw/zinc/21/22/81/569212281.db2.gz NPNHRSMWSSTTSB-SFHVURJKSA-N -1 3 421.519 3.055 50 0 HGAAHM O=S(=O)([N-]CCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000036700410 569222846 /nfs/dbraw/zinc/22/28/46/569222846.db2.gz HREACJLTMVSBDG-IBGZPJMESA-N -1 3 410.486 3.097 50 0 HGAAHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)N(C)C)cc1 ZINC000170603995 569244177 /nfs/dbraw/zinc/24/41/77/569244177.db2.gz QFQKUZZOWGTKCF-INIZCTEOSA-N -1 3 401.454 3.244 50 0 HGAAHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000089856414 569267296 /nfs/dbraw/zinc/26/72/96/569267296.db2.gz QXMWJGVXTJGJOG-UHFFFAOYSA-N -1 3 403.446 3.340 50 0 HGAAHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000089856414 569267297 /nfs/dbraw/zinc/26/72/97/569267297.db2.gz QXMWJGVXTJGJOG-UHFFFAOYSA-N -1 3 403.446 3.340 50 0 HGAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)cs2)no1 ZINC000006681404 569280047 /nfs/dbraw/zinc/28/00/47/569280047.db2.gz VAAFRUKATSOEJX-UHFFFAOYSA-N -1 3 403.485 3.044 50 0 HGAAHM CCN1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000007776956 569308486 /nfs/dbraw/zinc/30/84/86/569308486.db2.gz SPESQIKWYYEEEB-UHFFFAOYSA-N -1 3 415.559 3.318 50 0 HGAAHM CNC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1 ZINC000253424530 569368113 /nfs/dbraw/zinc/36/81/13/569368113.db2.gz HOWDVRDOCCTGCY-UHFFFAOYSA-N -1 3 419.247 3.029 50 0 HGAAHM COC(=O)[C@]([N-]c1ncc(C)s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002348314 569380542 /nfs/dbraw/zinc/38/05/42/569380542.db2.gz MBPOIUHGUCSIEF-CQSZACIVSA-N -1 3 407.801 3.378 50 0 HGAAHM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CSC)o2)cc1 ZINC000002457026 569412377 /nfs/dbraw/zinc/41/23/77/569412377.db2.gz RAJKRFNBQKIBAR-CQSZACIVSA-N -1 3 424.548 3.138 50 0 HGAAHM CC(C)CCN(CCC(C)C)S(=O)(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000079001775 569423545 /nfs/dbraw/zinc/42/35/45/569423545.db2.gz BWIPTPYSGYSZDD-UHFFFAOYSA-N -1 3 405.586 3.109 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccc(OC)c1 ZINC000079112557 569428240 /nfs/dbraw/zinc/42/82/40/569428240.db2.gz ZBJVPSUXLSVCPL-IBGZPJMESA-N -1 3 401.488 3.154 50 0 HGAAHM CC(C)n1[n-]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccc(Br)s1 ZINC000079475406 569431453 /nfs/dbraw/zinc/43/14/53/569431453.db2.gz ZEWJLBLPTCNADF-UHFFFAOYSA-N -1 3 408.281 3.389 50 0 HGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000008752035 571112512 /nfs/dbraw/zinc/11/25/12/571112512.db2.gz RVTZZGNPEGKJTH-OAHLLOKOSA-N -1 3 403.357 3.324 50 0 HGAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1F ZINC000008995352 571208507 /nfs/dbraw/zinc/20/85/07/571208507.db2.gz TVEOAEXRZXAUGM-HNNXBMFYSA-N -1 3 409.417 3.279 50 0 HGAAHM Cc1ccc(N2C[C@H](C[N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000009037087 571213824 /nfs/dbraw/zinc/21/38/24/571213824.db2.gz ALUBNPYZBLPGFD-AWEZNQCLSA-N -1 3 412.433 3.345 50 0 HGAAHM C=C1C(=Nc2nnc(CC)s2)[N-]S(=O)(=O)C1c1cccc(Br)c1 ZINC000009286632 571245062 /nfs/dbraw/zinc/24/50/62/571245062.db2.gz VSSWGGFHGUZQFP-UHFFFAOYSA-N -1 3 413.322 3.448 50 0 HGAAHM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000009320836 571248106 /nfs/dbraw/zinc/24/81/06/571248106.db2.gz AXOZNRZYEGAXCT-UHFFFAOYSA-N -1 3 419.480 3.285 50 0 HGAAHM CSc1ccc(CCNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000009528472 571266255 /nfs/dbraw/zinc/26/62/55/571266255.db2.gz MJZFBQAXQPSDEK-QGZVFWFLSA-N -1 3 412.602 3.132 50 0 HGAAHM Cc1c(C(=O)OC(C)C)sc2[n-]c(CN(C[C@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207445 571317318 /nfs/dbraw/zinc/31/73/18/571317318.db2.gz UHFGGSAJTUXJRS-ZDUSSCGKSA-N -1 3 421.563 3.374 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1Cl ZINC000005136048 132302354 /nfs/dbraw/zinc/30/23/54/132302354.db2.gz JJUAJKVRMHUXGH-UHFFFAOYSA-N -1 3 414.936 3.379 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)NCC3(c4ccccc4)CC3)cc(C(C)C)nc21 ZINC000032459027 521612992 /nfs/dbraw/zinc/61/29/92/521612992.db2.gz APTNNSVHIPKJNI-UHFFFAOYSA-N -1 3 420.513 3.080 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3cccc4ncccc43)cc(C(C)C)nc21 ZINC000032777802 521614618 /nfs/dbraw/zinc/61/46/18/521614618.db2.gz UTDLXMBUQYJAQZ-UHFFFAOYSA-N -1 3 417.469 3.419 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000032808827 522452497 /nfs/dbraw/zinc/45/24/97/522452497.db2.gz YHKXIBUISVDDNF-NSHDSACASA-N -1 3 423.491 3.207 50 0 HGAAHM Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000032865333 524153077 /nfs/dbraw/zinc/15/30/77/524153077.db2.gz HFCXTDIVFCPQGA-INIZCTEOSA-N -1 3 421.588 3.135 50 0 HGAAHM O=C(c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000021905489 526777090 /nfs/dbraw/zinc/77/70/90/526777090.db2.gz GEYAXWYFEXRZDO-ZFWWWQNUSA-N -1 3 404.454 3.180 50 0 HGAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1C(F)(F)F ZINC000024097240 527240382 /nfs/dbraw/zinc/24/03/82/527240382.db2.gz BABLSWDTLFWFHP-QGZVFWFLSA-N -1 3 414.449 3.057 50 0 HGAAHM CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000001060171 557163476 /nfs/dbraw/zinc/16/34/76/557163476.db2.gz LHCZJURZWCADTN-RTHLEPHNSA-N -1 3 413.268 3.133 50 0 HGAAHM COc1cccc(OCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)c2)c1 ZINC000001124926 557194395 /nfs/dbraw/zinc/19/43/95/557194395.db2.gz JFQIHBCDZQJTPV-UHFFFAOYSA-N -1 3 418.405 3.389 50 0 HGAAHM CCOc1cc([C@H]2NC(=O)N(CC)C(C)=C2C(=O)OC)cc(Br)c1[O-] ZINC000002868540 557413785 /nfs/dbraw/zinc/41/37/85/557413785.db2.gz IFUKTEYUPRKVKY-CQSZACIVSA-N -1 3 413.268 3.087 50 0 HGAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000034739182 557450834 /nfs/dbraw/zinc/45/08/34/557450834.db2.gz AYDSLGJXOVHCSB-IAGOWNOFSA-N -1 3 418.412 3.251 50 0 HGAAHM CC(C)c1nccn1-c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1 ZINC000006659102 557712548 /nfs/dbraw/zinc/71/25/48/557712548.db2.gz PHYANBMSYDROKX-UHFFFAOYSA-N -1 3 412.471 3.241 50 0 HGAAHM COc1cc(Cl)c(C)cc1NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000013055659 558508303 /nfs/dbraw/zinc/50/83/03/558508303.db2.gz RPACZVNPHJMJQI-UHFFFAOYSA-N -1 3 418.849 3.242 50 0 HGAAHM O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000013070234 558511156 /nfs/dbraw/zinc/51/11/56/558511156.db2.gz DZPBVUCSTKKIDT-OAHLLOKOSA-N -1 3 412.870 3.189 50 0 HGAAHM Fc1ccc(Nc2nc(Oc3ccc(-c4nnn[n-]4)cc3)nc(N3CCCC3)n2)cc1 ZINC000013592055 558546109 /nfs/dbraw/zinc/54/61/09/558546109.db2.gz AFUZCHQQGGYKCU-UHFFFAOYSA-N -1 3 419.424 3.327 50 0 HGAAHM Fc1ccc(Nc2nc(Oc3ccc(-c4nn[n-]n4)cc3)nc(N3CCCC3)n2)cc1 ZINC000013592055 558546111 /nfs/dbraw/zinc/54/61/11/558546111.db2.gz AFUZCHQQGGYKCU-UHFFFAOYSA-N -1 3 419.424 3.327 50 0 HGAAHM Cc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(C)=NC3(C(F)(F)F)C(F)(F)F)cc1C ZINC000013786728 558593579 /nfs/dbraw/zinc/59/35/79/558593579.db2.gz AUKNGIPXMNACDP-UHFFFAOYSA-N -1 3 420.313 3.306 50 0 HGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(C3CC3)nc21 ZINC000024442476 558597611 /nfs/dbraw/zinc/59/76/11/558597611.db2.gz VABOEPFNNMNRPQ-AWEZNQCLSA-N -1 3 418.497 3.210 50 0 HGAAHM CCOC(=O)c1c(C)oc2nc(CN(C)CCOc3ccccc3Cl)[n-]c(=O)c21 ZINC000029154214 558710861 /nfs/dbraw/zinc/71/08/61/558710861.db2.gz QNRXTOLOALSHMV-UHFFFAOYSA-N -1 3 419.865 3.165 50 0 HGAAHM Cc1c([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000029282217 558712736 /nfs/dbraw/zinc/71/27/36/558712736.db2.gz VUMDUBDKNBBBBQ-CYBMUJFWSA-N -1 3 416.478 3.182 50 0 HGAAHM CCc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(Cc4ccccc4)nn32)cc1 ZINC000015882053 558760508 /nfs/dbraw/zinc/76/05/08/558760508.db2.gz ZCILVAGCTDBZOK-UHFFFAOYSA-N -1 3 420.498 3.109 50 0 HGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000016299336 558784646 /nfs/dbraw/zinc/78/46/46/558784646.db2.gz ATHOHNJKTPHFGS-MRXNPFEDSA-N -1 3 415.902 3.499 50 0 HGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3cc(C)ccc3Cl)n2)N1 ZINC000017090870 558819567 /nfs/dbraw/zinc/81/95/67/558819567.db2.gz WLGDUONUHVZPFN-MRXNPFEDSA-N -1 3 416.787 3.354 50 0 HGAAHM O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1ccncc1 ZINC000018055742 558830222 /nfs/dbraw/zinc/83/02/22/558830222.db2.gz VGQINDZVVIKUPU-ZCQNZVIGSA-N -1 3 423.472 3.465 50 0 HGAAHM Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000058105697 558899097 /nfs/dbraw/zinc/89/90/97/558899097.db2.gz WNJHGZWWMLQUIW-HXUWFJFHSA-N -1 3 419.485 3.353 50 0 HGAAHM O=C(CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1[O-] ZINC000072401957 558937254 /nfs/dbraw/zinc/93/72/54/558937254.db2.gz QICBCNGYZHUGNX-UHFFFAOYSA-N -1 3 423.300 3.169 50 0 HGAAHM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1Cl ZINC000011665747 559146480 /nfs/dbraw/zinc/14/64/80/559146480.db2.gz LXZJSJURWVEWOA-UHFFFAOYSA-N -1 3 400.225 3.273 50 0 HGAAHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000014168384 559154675 /nfs/dbraw/zinc/15/46/75/559154675.db2.gz NPUKAUZNRFFBBW-UHFFFAOYSA-N -1 3 400.446 3.104 50 0 HGAAHM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000014168384 559154677 /nfs/dbraw/zinc/15/46/77/559154677.db2.gz NPUKAUZNRFFBBW-UHFFFAOYSA-N -1 3 400.446 3.104 50 0 HGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2ccc(F)cc2)CC4=O)n1 ZINC000100137684 559163195 /nfs/dbraw/zinc/16/31/95/559163195.db2.gz YWQVOXVQDUGHPI-AWEZNQCLSA-N -1 3 403.417 3.172 50 0 HGAAHM O=S(=O)([N-]CC1(N2CCOCC2)CCCCC1)c1c(Cl)cccc1Cl ZINC000023863746 559181359 /nfs/dbraw/zinc/18/13/59/559181359.db2.gz FIOWKHYAEGNNOF-UHFFFAOYSA-N -1 3 407.363 3.307 50 0 HGAAHM COc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000004880206 559196284 /nfs/dbraw/zinc/19/62/84/559196284.db2.gz KVXKZQQRBQAMDK-IBGZPJMESA-N -1 3 416.524 3.093 50 0 HGAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3c2nc[n-]c3=O)cc1 ZINC000012462137 560212034 /nfs/dbraw/zinc/21/20/34/560212034.db2.gz UXUBRDYYFLTCOI-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 biogenic,in-vitro HGAAHM Cc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)cc1F ZINC000012462335 560212138 /nfs/dbraw/zinc/21/21/38/560212138.db2.gz UUSJKWIDWZVZJA-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 biogenic,in-vitro HGAAHM CCN(Cc1ccccc1)C(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000051316722 560856618 /nfs/dbraw/zinc/85/66/18/560856618.db2.gz KYODYPMFRCUIGU-UHFFFAOYSA-N -1 3 419.510 3.250 50 0 HGAAHM CCN(Cc1ccccc1)C(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000051316722 560856620 /nfs/dbraw/zinc/85/66/20/560856620.db2.gz KYODYPMFRCUIGU-UHFFFAOYSA-N -1 3 419.510 3.250 50 0 HGAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(F)c1 ZINC000105050080 560860810 /nfs/dbraw/zinc/86/08/10/560860810.db2.gz HZENMXNYUKHOBR-IRXDYDNUSA-N -1 3 418.412 3.251 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000046074245 568426704 /nfs/dbraw/zinc/42/67/04/568426704.db2.gz DEVPBLBFCPOFMH-CQSZACIVSA-N -1 3 400.504 3.343 50 0 HGAAHM O=C(Nc1ccc(F)cc1)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074575 568427025 /nfs/dbraw/zinc/42/70/25/568427025.db2.gz AUTSKWHUMQVJRV-HNNXBMFYSA-N -1 3 424.457 3.266 50 0 HGAAHM CCCCc1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000012321579 568470953 /nfs/dbraw/zinc/47/09/53/568470953.db2.gz RWHSKWMFSVVJNH-UHFFFAOYSA-N -1 3 401.470 3.381 50 0 HGAAHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040117793 568620358 /nfs/dbraw/zinc/62/03/58/568620358.db2.gz GRYVBZJRCYMBMN-YUNKPMOVSA-N -1 3 401.850 3.109 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccccc3C)cc2)S1 ZINC000020895410 568648841 /nfs/dbraw/zinc/64/88/41/568648841.db2.gz HAFSDORPKOUYOO-FQEVSTJZSA-N -1 3 413.499 3.454 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]CCCc3ccco3)s2)on1 ZINC000020994894 568656482 /nfs/dbraw/zinc/65/64/82/568656482.db2.gz ARXGOCMGIYFRJK-UHFFFAOYSA-N -1 3 410.473 3.084 50 0 HGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1O ZINC000096232774 568708388 /nfs/dbraw/zinc/70/83/88/568708388.db2.gz UESWMFBPWASBHR-SJKOYZFVSA-N -1 3 419.503 3.208 50 0 HGAAHM CCc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)c1 ZINC000021537388 568712408 /nfs/dbraw/zinc/71/24/08/568712408.db2.gz AFLFUECZNSTNHN-UHFFFAOYSA-N -1 3 405.483 3.378 50 0 HGAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c1 ZINC000229955492 568716024 /nfs/dbraw/zinc/71/60/24/568716024.db2.gz BQIMYQISQAQYDN-BHDDXSALSA-N -1 3 416.433 3.452 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1 ZINC000002469099 568772898 /nfs/dbraw/zinc/77/28/98/568772898.db2.gz JKDPSUZTMBHAIG-CYBMUJFWSA-N -1 3 404.966 3.440 50 0 HGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000002623066 568788260 /nfs/dbraw/zinc/78/82/60/568788260.db2.gz JUSHMTNNRHQASH-UHFFFAOYSA-N -1 3 413.477 3.441 50 0 HGAAHM Cc1sc2nc(C)n([N-]C(=O)Cn3nc(C(F)F)c(Cl)c3C)c(=O)c2c1C ZINC000002778339 568808096 /nfs/dbraw/zinc/80/80/96/568808096.db2.gz FACYNXHYRJUNFZ-UHFFFAOYSA-N -1 3 415.853 3.249 50 0 HGAAHM FC(F)(F)c1ccn(Cc2n[n-]c(=S)n2-c2cnn(Cc3ccccc3)c2)n1 ZINC000002809759 568812040 /nfs/dbraw/zinc/81/20/40/568812040.db2.gz KQXKFVBSFVHUCQ-UHFFFAOYSA-N -1 3 405.409 3.064 50 0 HGAAHM O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000012526910 568843476 /nfs/dbraw/zinc/84/34/76/568843476.db2.gz BRWUMGMHOGWFDK-UHFFFAOYSA-N -1 3 403.847 3.494 50 0 HGAAHM COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000003304382 568853430 /nfs/dbraw/zinc/85/34/30/568853430.db2.gz IXNAUVYDHSUHEF-UHFFFAOYSA-N -1 3 420.421 3.449 50 0 HGAAHM Cc1cc(=NC(=O)C2=CC(c3ccc(Cl)cc3)N=N2)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159235 568863095 /nfs/dbraw/zinc/86/30/95/568863095.db2.gz WADXVFHNDRWPKD-HIKNMBNNSA-N -1 3 419.894 3.272 50 0 HGAAHM COC(=O)c1c(NC(=O)COC(=O)c2ccc([O-])cc2)sc2c1CCCCC2 ZINC000003249951 568867511 /nfs/dbraw/zinc/86/75/11/568867511.db2.gz UXBDJKKPRKBRLL-UHFFFAOYSA-N -1 3 403.456 3.305 50 0 HGAAHM CCOC(=O)c1c(C)oc2nc(CSc3nnc(NC(C)(C)C)s3)[n-]c(=O)c21 ZINC000012753330 568941932 /nfs/dbraw/zinc/94/19/32/568941932.db2.gz RQGQONRHSNMGCP-UHFFFAOYSA-N -1 3 423.520 3.355 50 0 HGAAHM COc1ccc(NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1 ZINC000015669764 568961161 /nfs/dbraw/zinc/96/11/61/568961161.db2.gz KLBCBBDULUYJIZ-UHFFFAOYSA-N -1 3 423.541 3.407 50 0 HGAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000012815906 568989717 /nfs/dbraw/zinc/98/97/17/568989717.db2.gz WUXLWMSOTUIPAW-UHFFFAOYSA-N -1 3 415.342 3.304 50 0 HGAAHM COC(=O)c1sc2[n-]c(CSCCOc3ccc(OC)cc3)nc(=O)c2c1C ZINC000012817752 568990281 /nfs/dbraw/zinc/99/02/81/568990281.db2.gz ODMGWMFMEMSGDE-UHFFFAOYSA-N -1 3 420.512 3.400 50 0 HGAAHM COC[C@H](O)CN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[n-]1)C(C)C ZINC000036207099 569109509 /nfs/dbraw/zinc/10/95/09/569109509.db2.gz TWVCPAPIROLDAS-MRXNPFEDSA-N -1 3 415.559 3.486 50 0 HGAAHM CN1CCc2cc(C(=O)N(c3ccc([O-])cc3)S(=O)(=O)c3ccccc3)ccc21 ZINC000170609460 569245117 /nfs/dbraw/zinc/24/51/17/569245117.db2.gz CHWWFTBAHCILHC-UHFFFAOYSA-N -1 3 408.479 3.420 50 0 HGAAHM N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)[O-] ZINC000005082411 569255635 /nfs/dbraw/zinc/25/56/35/569255635.db2.gz CQWAYRTZXZSUEP-NRFANRHFSA-N -1 3 420.534 3.240 50 0 HGAAHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCOCC1 ZINC000016973123 569269674 /nfs/dbraw/zinc/26/96/74/569269674.db2.gz LHZOKOCJULTEQG-UHFFFAOYSA-N -1 3 401.937 3.437 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2nccs2)[n-]c3=O)cc1C ZINC000002718076 569322425 /nfs/dbraw/zinc/32/24/25/569322425.db2.gz NSWOXITXSFSQDE-UHFFFAOYSA-N -1 3 412.500 3.325 50 0 HGAAHM O=c1[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1CCC1=CCCCC1 ZINC000008742613 571111107 /nfs/dbraw/zinc/11/11/07/571111107.db2.gz QVNIXGQJSFDVFX-HXUWFJFHSA-N -1 3 406.486 3.261 50 0 biogenic HGAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1cccc(C)c1 ZINC000008971989 571197227 /nfs/dbraw/zinc/19/72/27/571197227.db2.gz PLQKCZKOKIYXQU-KRWDZBQOSA-N -1 3 405.454 3.448 50 0 HGAAHM COc1cccc(-c2nc(CC[N-]S(=O)(=O)c3cc(F)ccc3OC)cs2)c1 ZINC000009410111 571255715 /nfs/dbraw/zinc/25/57/15/571255715.db2.gz CMUXOAWBNRDKLS-UHFFFAOYSA-N -1 3 422.503 3.487 50 0 HGAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009453821 571260158 /nfs/dbraw/zinc/26/01/58/571260158.db2.gz XIMDBXFPDNSIDP-HNNXBMFYSA-N -1 3 410.865 3.011 50 0 HGAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009453821 571260160 /nfs/dbraw/zinc/26/01/60/571260160.db2.gz XIMDBXFPDNSIDP-HNNXBMFYSA-N -1 3 410.865 3.011 50 0 HGAAHM CCOC(=O)C[C@H](c1ccc(-c2ccc(F)cc2)o1)c1oc(CO)cc(=O)c1[O-] ZINC000071280076 571290504 /nfs/dbraw/zinc/29/05/04/571290504.db2.gz VYNDOMGFCXDQFU-OAHLLOKOSA-N -1 3 402.374 3.322 50 0 HGAAHM COc1ccc(Cl)cc1C(=O)[N-]n1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O ZINC000010252059 571298316 /nfs/dbraw/zinc/29/83/16/571298316.db2.gz KSDJRECZOSYBTL-UHFFFAOYSA-N -1 3 423.860 3.245 50 0 HGAAHM O=C([N-]c1nc2c(s1)CCCC2)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000077100417 571311258 /nfs/dbraw/zinc/31/12/58/571311258.db2.gz UPGLDAJKYPTBPA-UHFFFAOYSA-N -1 3 410.381 3.149 50 0 HGAAHM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000032833585 519703952 /nfs/dbraw/zinc/70/39/52/519703952.db2.gz QUYAJTNQXCCLRE-UHFFFAOYSA-N -1 3 406.414 3.218 50 0 HGAAHM Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2cccc(Br)c2)c([O-])c1 ZINC000032925268 525213154 /nfs/dbraw/zinc/21/31/54/525213154.db2.gz HDVKHWOMUZLSDV-LBPRGKRZSA-N -1 3 412.305 3.405 50 0 HGAAHM CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccc1[O-] ZINC000002877221 557417747 /nfs/dbraw/zinc/41/77/47/557417747.db2.gz RQGTXQYMGNZVET-UHFFFAOYSA-N -1 3 412.471 3.173 50 0 HGAAHM CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc4n[n-]nc4c3)n2)cc1 ZINC000010556400 557534278 /nfs/dbraw/zinc/53/42/78/557534278.db2.gz MADKZWMDNFYLIQ-UHFFFAOYSA-N -1 3 406.471 3.012 50 0 HGAAHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)OCCC(C)C)c1ccccc1 ZINC000004694403 557581954 /nfs/dbraw/zinc/58/19/54/557581954.db2.gz ZVLUCFTVMHZXMH-IBGZPJMESA-N -1 3 409.479 3.443 50 0 HGAAHM COc1ccc(Nc2nc(=S)c(N(O)c3ccc(Cl)cc3)n[n-]c2=O)cc1 ZINC000005423340 557653145 /nfs/dbraw/zinc/65/31/45/557653145.db2.gz NAVJPROXSLSWPC-UHFFFAOYSA-N -1 3 403.851 3.453 50 0 HGAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)o2)cc1 ZINC000002720190 557746732 /nfs/dbraw/zinc/74/67/32/557746732.db2.gz NWOADXGWGHKNKK-UHFFFAOYSA-N -1 3 412.471 3.415 50 0 HGAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCOC)cc1 ZINC000022688395 557779276 /nfs/dbraw/zinc/77/92/76/557779276.db2.gz AKAJBRFBYIVANH-UHFFFAOYSA-N -1 3 402.516 3.366 50 0 HGAAHM Cc1c([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)c(=O)n(-c2ccccc2)n1C ZINC000012340548 558386258 /nfs/dbraw/zinc/38/62/58/558386258.db2.gz UWAPEMMFJYBHSD-UHFFFAOYSA-N -1 3 416.484 3.002 50 0 HGAAHM COc1cc([C@H]2Nc3ccccc3C(=O)N2C)cc(I)c1[O-] ZINC000012632279 558442313 /nfs/dbraw/zinc/44/23/13/558442313.db2.gz AZNNUGVHHOUCCS-HNNXBMFYSA-N -1 3 410.211 3.202 50 0 HGAAHM CCOC([O-])=NC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000012811084 558474855 /nfs/dbraw/zinc/47/48/55/558474855.db2.gz AKFUGRFYPRWPRC-UHFFFAOYSA-N -1 3 421.862 3.478 50 0 HGAAHM CCOC(=O)[N-]C(=O)COC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000012811084 558474857 /nfs/dbraw/zinc/47/48/57/558474857.db2.gz AKFUGRFYPRWPRC-UHFFFAOYSA-N -1 3 421.862 3.478 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ncccc3O)c2)cc1 ZINC000022265209 558475098 /nfs/dbraw/zinc/47/50/98/558475098.db2.gz IZAYDFUAKNJGHW-UHFFFAOYSA-N -1 3 413.455 3.239 50 0 HGAAHM Cc1c(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000013125568 558518240 /nfs/dbraw/zinc/51/82/40/558518240.db2.gz SQUKZKQFGPOJOH-UHFFFAOYSA-N -1 3 423.860 3.486 50 0 HGAAHM CCc1cc2c(CN3CCN(Cc4ccc(OC)cc4)CC3)cc(=O)oc2cc1[O-] ZINC000023303747 558548684 /nfs/dbraw/zinc/54/86/84/558548684.db2.gz LELVPCKRLCCJBL-UHFFFAOYSA-N -1 3 408.498 3.387 50 0 HGAAHM Cc1c([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000029282220 558712628 /nfs/dbraw/zinc/71/26/28/558712628.db2.gz VUMDUBDKNBBBBQ-ZDUSSCGKSA-N -1 3 416.478 3.182 50 0 HGAAHM O=S(=O)([N-]C[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccs1 ZINC000004553830 558720946 /nfs/dbraw/zinc/72/09/46/558720946.db2.gz JFTSCLLNPVDJPR-HNNXBMFYSA-N -1 3 413.567 3.303 50 0 HGAAHM CCNc1nc(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc2ccccc21 ZINC000030342797 558729119 /nfs/dbraw/zinc/72/91/19/558729119.db2.gz YZUWUDZIBHOQSG-UHFFFAOYSA-N -1 3 416.528 3.408 50 0 HGAAHM Cc1cccc(N2CCN(CC[C@H](C)[N-]S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000030440049 558730365 /nfs/dbraw/zinc/73/03/65/558730365.db2.gz FSMMYNARNAOKNS-SFHVURJKSA-N -1 3 405.539 3.013 50 0 HGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)N1 ZINC000017092430 558820937 /nfs/dbraw/zinc/82/09/37/558820937.db2.gz QCRYEAQLNIRWOI-HNNXBMFYSA-N -1 3 420.750 3.185 50 0 HGAAHM CCCCN(C)C(=O)C(=C([O-])c1ccc(Br)cc1)n1ccccc1=O ZINC000004689243 558899227 /nfs/dbraw/zinc/89/92/27/558899227.db2.gz WBUXKSJSPMQADO-QGZVFWFLSA-N -1 3 405.292 3.293 50 0 HGAAHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000060376676 558942303 /nfs/dbraw/zinc/94/23/03/558942303.db2.gz CJNPAIHVNCDRDS-UHFFFAOYSA-N -1 3 402.238 3.217 50 0 HGAAHM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc21 ZINC000021756865 558948512 /nfs/dbraw/zinc/94/85/12/558948512.db2.gz KLRZVIQCRJBTBS-UHFFFAOYSA-N -1 3 418.515 3.038 50 0 HGAAHM Cc1ccc(C)c(-c2cn3c(C(=O)NCCc4cc(=O)[n-]c(C)n4)csc3n2)c1 ZINC000067604128 558988450 /nfs/dbraw/zinc/98/84/50/558988450.db2.gz UAMNXIVJNGYIIT-UHFFFAOYSA-N -1 3 407.499 3.044 50 0 HGAAHM CCOc1ccc(-n2c(O)c3n(-c4ccccc4Cl)[n-]c(C(C)=O)c-3c2=O)cc1 ZINC000103132604 559154802 /nfs/dbraw/zinc/15/48/02/559154802.db2.gz BXUMKEUQRSWZDZ-HKUYNNGSSA-N -1 3 411.845 3.062 50 0 HGAAHM COc1ccc([C@H]2CC(=O)c3c[n-]c4nn(-c5nc(C)cc(C)n5)c(=O)c-4c3C2)cc1 ZINC000100137668 559163224 /nfs/dbraw/zinc/16/32/24/559163224.db2.gz LANIAKUPFZZNJA-OAHLLOKOSA-N -1 3 415.453 3.042 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C)c(F)c1 ZINC000004909128 559201308 /nfs/dbraw/zinc/20/13/08/559201308.db2.gz VHUMIWXUSNTLLV-AWEZNQCLSA-N -1 3 402.538 3.234 50 0 HGAAHM Cc1ccc(NC(=O)[C@@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000011719556 559255066 /nfs/dbraw/zinc/25/50/66/559255066.db2.gz XWIFJRJDBBQPLJ-MRXNPFEDSA-N -1 3 421.588 3.135 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100738644 559260876 /nfs/dbraw/zinc/26/08/76/559260876.db2.gz DFAQYSXEXHQLIA-DOTOQJQBSA-N -1 3 402.237 3.317 50 0 HGAAHM CC(C)c1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c2=O)cc1 ZINC000017196754 560704262 /nfs/dbraw/zinc/70/42/62/560704262.db2.gz KYNGBOGEFWBECF-NRFANRHFSA-N -1 3 416.481 3.071 50 0 biogenic HGAAHM CC(C)c1ccc(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000017196754 560704263 /nfs/dbraw/zinc/70/42/63/560704263.db2.gz KYNGBOGEFWBECF-NRFANRHFSA-N -1 3 416.481 3.071 50 0 biogenic HGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc21 ZINC000017316561 560708546 /nfs/dbraw/zinc/70/85/46/560708546.db2.gz OBUCNGWACMCSDW-UHFFFAOYSA-N -1 3 412.508 3.037 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000017327125 560709101 /nfs/dbraw/zinc/70/91/01/560709101.db2.gz SOIMIRHOXRFLET-IAGOWNOFSA-N -1 3 402.516 3.354 50 0 HGAAHM Cc1cccc(C[N-]S(=O)(=O)[C@H]2CON(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000105049656 560860613 /nfs/dbraw/zinc/86/06/13/560860613.db2.gz UZUJVYCADVRNII-ROUUACIJSA-N -1 3 414.449 3.420 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000046074242 568426869 /nfs/dbraw/zinc/42/68/69/568426869.db2.gz DEVPBLBFCPOFMH-AWEZNQCLSA-N -1 3 400.504 3.343 50 0 HGAAHM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000046074662 568426950 /nfs/dbraw/zinc/42/69/50/568426950.db2.gz QGMBPNCWNYSXFU-INIZCTEOSA-N -1 3 420.494 3.435 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc2nccnc2c1 ZINC000012323425 568471346 /nfs/dbraw/zinc/47/13/46/568471346.db2.gz JDNKZUFRVSOEES-HXUWFJFHSA-N -1 3 423.498 3.089 50 0 HGAAHM Cc1nc(-c2cccc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)c2)cs1 ZINC000008129184 568491006 /nfs/dbraw/zinc/49/10/06/568491006.db2.gz WUEUSFGHHVURAR-UHFFFAOYSA-N -1 3 406.467 3.151 50 0 HGAAHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1cnn(C[C@@H]2CCCCO2)c1 ZINC000390828732 568591740 /nfs/dbraw/zinc/59/17/40/568591740.db2.gz TWHGSHQJBWNRQD-INIZCTEOSA-N -1 3 403.426 3.413 50 0 HGAAHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000095449600 568613875 /nfs/dbraw/zinc/61/38/75/568613875.db2.gz QDRKFZFYSVUOEP-HNNXBMFYSA-N -1 3 404.496 3.044 50 0 HGAAHM O=C(c1cc(=O)[nH]c(Cl)c1)N(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1 ZINC000095469308 568625623 /nfs/dbraw/zinc/62/56/23/568625623.db2.gz VLPUJWPKZNVKJP-UHFFFAOYSA-N -1 3 404.831 3.182 50 0 HGAAHM COC(=O)C[C@H](c1cnn(C)c1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095475999 568630205 /nfs/dbraw/zinc/63/02/05/568630205.db2.gz UHJSLJWJDDALKH-CQSZACIVSA-N -1 3 418.446 3.205 50 0 HGAAHM Nc1c(C(=O)c2ccc(Cl)s2)sc2c1c(=O)[n-]c(=O)n2Cc1cccs1 ZINC000002624826 568788916 /nfs/dbraw/zinc/78/89/16/568788916.db2.gz GXWQBYVVXSXHQY-UHFFFAOYSA-N -1 3 423.928 3.389 50 0 HGAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1Cl ZINC000003360515 568857245 /nfs/dbraw/zinc/85/72/45/568857245.db2.gz GAPCJHKBYANSQV-UHFFFAOYSA-N -1 3 410.879 3.398 50 0 HGAAHM CCNc1nc([N-]N=c2[nH]c3sc4c(c3c(=O)s2)CCCC4)nc(NCC)n1 ZINC000003219193 568862963 /nfs/dbraw/zinc/86/29/63/568862963.db2.gz BXJPSARFUQXKEQ-UHFFFAOYSA-N -1 3 418.552 3.084 50 0 HGAAHM O=C(Cc1ccc2c(c1)CCCC2)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000030997472 568908004 /nfs/dbraw/zinc/90/80/04/568908004.db2.gz UGNAFUIFABQCPM-UHFFFAOYSA-N -1 3 418.584 3.139 50 0 HGAAHM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1 ZINC000003564314 568916144 /nfs/dbraw/zinc/91/61/44/568916144.db2.gz PWDZAMBMZGIHCE-UHFFFAOYSA-N -1 3 416.952 3.480 50 0 HGAAHM O=S(=O)([N-]CCc1ccncc1)c1cc(Br)ccc1Br ZINC000001421408 568938081 /nfs/dbraw/zinc/93/80/81/568938081.db2.gz GZRXPVDLWIAMDQ-UHFFFAOYSA-N -1 3 420.126 3.128 50 0 HGAAHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)N1CCCc2ccccc21 ZINC000004078170 568938828 /nfs/dbraw/zinc/93/88/28/568938828.db2.gz JDTIXCPTXVCHBR-UHFFFAOYSA-N -1 3 400.485 3.455 50 0 HGAAHM O=C(CCCOC(=O)c1sccc1S(=O)(=O)[N-]C1CC1)c1ccc(F)cc1 ZINC000012752237 568941287 /nfs/dbraw/zinc/94/12/87/568941287.db2.gz AVOYGJGITFNAJT-UHFFFAOYSA-N -1 3 411.476 3.148 50 0 HGAAHM Cc1ccc(SCCNC(=O)[C@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)cc1 ZINC000007979687 568963559 /nfs/dbraw/zinc/96/35/59/568963559.db2.gz XCSDNLUODRLAIN-LJQANCHMSA-N -1 3 424.563 3.346 50 0 HGAAHM C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012910523 569021466 /nfs/dbraw/zinc/02/14/66/569021466.db2.gz BIGXDZNUFPUCKL-HNNXBMFYSA-N -1 3 415.921 3.401 50 0 HGAAHM Cc1nn(Cc2ccc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)o2)c(C)c1Cl ZINC000006526491 569063262 /nfs/dbraw/zinc/06/32/62/569063262.db2.gz OLELZFVAVCROSI-HNNXBMFYSA-N -1 3 404.776 3.267 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1 ZINC000006706896 569095327 /nfs/dbraw/zinc/09/53/27/569095327.db2.gz LIVDYPKLEXHEBB-UHFFFAOYSA-N -1 3 418.515 3.277 50 0 HGAAHM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000064946758 569128544 /nfs/dbraw/zinc/12/85/44/569128544.db2.gz RYNIFAFRTBBTKM-UHFFFAOYSA-N -1 3 417.281 3.302 50 0 HGAAHM Cc1ccccc1N(C)S(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000006818314 569138355 /nfs/dbraw/zinc/13/83/55/569138355.db2.gz QKTMZXLYNJBZQF-UHFFFAOYSA-N -1 3 406.464 3.063 50 0 HGAAHM CCOc1ccccc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(CO)ccc32)CC1 ZINC000036353201 569147664 /nfs/dbraw/zinc/14/76/64/569147664.db2.gz FFWXGXBNFPLDDY-QFIPXVFZSA-N -1 3 409.486 3.007 50 0 HGAAHM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC000006887850 569171430 /nfs/dbraw/zinc/17/14/30/569171430.db2.gz LPCSLLQZVAZTMA-UHFFFAOYSA-N -1 3 419.547 3.215 50 0 HGAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000089814407 569266415 /nfs/dbraw/zinc/26/64/15/569266415.db2.gz YNVPMJWBGWDHRE-UHFFFAOYSA-N -1 3 416.463 3.321 50 0 HGAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)c2cccs2)c(OC)c1)C(F)(F)F ZINC000002272461 569327461 /nfs/dbraw/zinc/32/74/61/569327461.db2.gz WKVXVRHXRWACBW-MRXNPFEDSA-N -1 3 403.378 3.322 50 0 HGAAHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(Br)c1 ZINC000328593949 569415635 /nfs/dbraw/zinc/41/56/35/569415635.db2.gz COUXVNQGUKXNCS-UHFFFAOYSA-N -1 3 402.241 3.317 50 0 HGAAHM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000038706761 571067815 /nfs/dbraw/zinc/06/78/15/571067815.db2.gz YYYQMPVBKTVPFJ-UHFFFAOYSA-N -1 3 400.378 3.295 50 0 HGAAHM O=C(N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)c1ccco1 ZINC000008683132 571101358 /nfs/dbraw/zinc/10/13/58/571101358.db2.gz SAWAEFODFFUBQX-GFCCVEGCSA-N -1 3 408.694 3.398 50 0 HGAAHM COc1ccc(C(=O)N2CCN(Cn3nc(-c4cccs4)[n-]c3=S)CC2)cc1 ZINC000040083006 571156518 /nfs/dbraw/zinc/15/65/18/571156518.db2.gz SNPTWDFBADZURT-UHFFFAOYSA-N -1 3 415.544 3.093 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1C ZINC000008977373 571198124 /nfs/dbraw/zinc/19/81/24/571198124.db2.gz MZGISZNWVGLGRC-UHFFFAOYSA-N -1 3 400.500 3.099 50 0 HGAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000245325573 571224973 /nfs/dbraw/zinc/22/49/73/571224973.db2.gz AYDSLGJXOVHCSB-DLBZAZTESA-N -1 3 418.412 3.251 50 0 HGAAHM C[C@H](CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000009253403 571242907 /nfs/dbraw/zinc/24/29/07/571242907.db2.gz BOVZYFPILWEIIO-OAHLLOKOSA-N -1 3 419.510 3.121 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000009490136 571262644 /nfs/dbraw/zinc/26/26/44/571262644.db2.gz UXAXAJOEQBCVAH-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000009490136 571262645 /nfs/dbraw/zinc/26/26/45/571262645.db2.gz UXAXAJOEQBCVAH-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccc(F)cc1F ZINC000009507012 571263720 /nfs/dbraw/zinc/26/37/20/571263720.db2.gz AZQRJVWSZKSINX-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(=O)n(C)n3)c2)c(C)c1C ZINC000010324835 571300436 /nfs/dbraw/zinc/30/04/36/571300436.db2.gz PBPORNHKWLCVAA-UHFFFAOYSA-N -1 3 413.499 3.182 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115283 571315823 /nfs/dbraw/zinc/31/58/23/571315823.db2.gz KFWSHTCFMUDMKA-IBGZPJMESA-N -1 3 414.527 3.123 50 0 HGAAHM COc1cc(-c2cc([O-])c3c(=O)c(OC)c(OC)c(OC)c-3o2)cc(OC)c1OC ZINC000001615112 291238001 /nfs/dbraw/zinc/23/80/01/291238001.db2.gz MQBFFYQCZCKSBX-UHFFFAOYSA-N -1 3 418.398 3.217 50 0 biogenic,in-vitro HGAAHM COc1cc(-c2cc(=O)c3c([O-])c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC ZINC000001615112 291238008 /nfs/dbraw/zinc/23/80/08/291238008.db2.gz MQBFFYQCZCKSBX-UHFFFAOYSA-N -1 3 418.398 3.217 50 0 biogenic,in-vitro HGAAHM O=c1cc(-c2ccccc2Cl)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]1 ZINC000008914188 132334098 /nfs/dbraw/zinc/33/40/98/132334098.db2.gz KGKOUEAUSHXTJK-UHFFFAOYSA-N -1 3 424.888 3.141 50 0 HGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C)c3ccccc3Cl)cc(C3CC3)nc21 ZINC000032078840 523091383 /nfs/dbraw/zinc/09/13/83/523091383.db2.gz PKLLOHPXWHHLEH-LLVKDONJSA-N -1 3 412.877 3.127 50 0 HGAAHM Cc1cccc(NC(=O)COC(=O)C2CCN(C(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000032913732 524597530 /nfs/dbraw/zinc/59/75/30/524597530.db2.gz VSXGXIQUHGXEIM-UHFFFAOYSA-N -1 3 410.470 3.043 50 0 HGAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nc3c2nc[n-]c3=O)cc1 ZINC000020394351 525901411 /nfs/dbraw/zinc/90/14/11/525901411.db2.gz XFJAYVAPEVHCJT-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 HGAAHM O=C([N-]CC1CCN(C(=O)C(Cl)(Cl)Cl)CC1)C(Cl)(Cl)Cl ZINC000001139146 557202681 /nfs/dbraw/zinc/20/26/81/557202681.db2.gz DQUFMHTZBQJCCS-UHFFFAOYSA-N -1 3 404.936 3.082 50 0 HGAAHM O=C(NCc1ccc2c(c1)OCO2)c1sc(=S)n2c3ccsc3c(=O)[n-]c12 ZINC000002956425 557772951 /nfs/dbraw/zinc/77/29/51/557772951.db2.gz NOZXXQIXWPJPOV-UHFFFAOYSA-N -1 3 417.493 3.292 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000021872794 558452982 /nfs/dbraw/zinc/45/29/82/558452982.db2.gz ZIFQBTOJBXMVRL-OAHLLOKOSA-N -1 3 420.478 3.386 50 0 HGAAHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000022263485 558474850 /nfs/dbraw/zinc/47/48/50/558474850.db2.gz VRJPKHDEYRYKGB-UHFFFAOYSA-N -1 3 409.895 3.258 50 0 HGAAHM Cc1cc(CN2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)no1 ZINC000022774387 558509121 /nfs/dbraw/zinc/50/91/21/558509121.db2.gz SFJXYSQDPBOPRW-UHFFFAOYSA-N -1 3 421.526 3.266 50 0 HGAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)oc(C)c1C(C)=O ZINC000013134583 558520817 /nfs/dbraw/zinc/52/08/17/558520817.db2.gz NMHNGMBQJYMOBL-INIZCTEOSA-N -1 3 420.245 3.033 50 0 HGAAHM CCOC(=O)c1csc(N2N=C(c3ccccc3OC)C[C@@]2([O-])C(F)(F)F)n1 ZINC000004478272 558601458 /nfs/dbraw/zinc/60/14/58/558601458.db2.gz NLVBNOBRXKSYNG-MRXNPFEDSA-N -1 3 415.393 3.194 50 0 HGAAHM COc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1 ZINC000013944264 558605754 /nfs/dbraw/zinc/60/57/54/558605754.db2.gz OJZGPYMEJUWMAI-NSHDSACASA-N -1 3 400.485 3.381 50 0 HGAAHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000014201125 558636602 /nfs/dbraw/zinc/63/66/02/558636602.db2.gz HXENYXWNXQJDJZ-UHFFFAOYSA-N -1 3 406.204 3.315 50 0 HGAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000026937093 558667473 /nfs/dbraw/zinc/66/74/73/558667473.db2.gz LXCITDCWSBDZKI-QFIPXVFZSA-N -1 3 416.525 3.193 50 0 HGAAHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000015327386 558733845 /nfs/dbraw/zinc/73/38/45/558733845.db2.gz RABGUTKHCGRJKY-AWEZNQCLSA-N -1 3 421.824 3.421 50 0 HGAAHM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000033274719 558764369 /nfs/dbraw/zinc/76/43/69/558764369.db2.gz PUGPWXAXVMKEFL-UHFFFAOYSA-N -1 3 416.543 3.289 50 0 HGAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 ZINC000033274881 558764950 /nfs/dbraw/zinc/76/49/50/558764950.db2.gz IKAPETFUIOBNFH-UHFFFAOYSA-N -1 3 402.516 3.444 50 0 HGAAHM O=C([N-]N1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1ccncc1 ZINC000017952941 558828865 /nfs/dbraw/zinc/82/88/65/558828865.db2.gz VGQINDZVVIKUPU-MYDTUXCISA-N -1 3 423.472 3.465 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@H](c2ccc(OC)cc2)C1 ZINC000072314560 558847085 /nfs/dbraw/zinc/84/70/85/558847085.db2.gz MQCAQWALGKYGMD-FQEVSTJZSA-N -1 3 401.488 3.154 50 0 HGAAHM CCCCOCCCNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700651 558912211 /nfs/dbraw/zinc/91/22/11/558912211.db2.gz KRCIRJTVOOOQLS-FQEVSTJZSA-N -1 3 402.466 3.043 50 0 HGAAHM Cc1c2cc(C)cc(CNC(=O)CC[C@@H]3NC(=O)[N-]C3=O)c2[nH]c1-c1ccccc1 ZINC000077456846 559005898 /nfs/dbraw/zinc/00/58/98/559005898.db2.gz RGUIJJPCZMBMTE-SFHVURJKSA-N -1 3 404.470 3.056 50 0 HGAAHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccc1Cl ZINC000023143683 559020973 /nfs/dbraw/zinc/02/09/73/559020973.db2.gz UKKZXRBCOMEOKE-UHFFFAOYSA-N -1 3 423.796 3.445 50 0 HGAAHM CN1C2=C(C(=O)N(c3ccccc3[O-])C2)[C@H](c2ccc(Br)cc2)NC1=O ZINC000004776458 559059589 /nfs/dbraw/zinc/05/95/89/559059589.db2.gz ZVSGUAXBGSYVCX-KRWDZBQOSA-N -1 3 414.259 3.152 50 0 HGAAHM Cc1noc(C)c1CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000092107338 559075558 /nfs/dbraw/zinc/07/55/58/559075558.db2.gz LYZVNRRZJHOGJG-UHFFFAOYSA-N -1 3 407.257 3.202 50 0 HGAAHM CCCOc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011450467 559076603 /nfs/dbraw/zinc/07/66/03/559076603.db2.gz NCQTXAJQZCACHU-UHFFFAOYSA-N -1 3 408.545 3.120 50 0 HGAAHM O=C1Nc2ccc(Br)cc2/C1=C1/[N-]C(=S)N(c2ccccc2)C1=O ZINC000100057079 559129295 /nfs/dbraw/zinc/12/92/95/559129295.db2.gz XYSFGIOZTNXQTD-YPKPFQOOSA-N -1 3 400.257 3.034 50 0 HGAAHM CCOc1ccc(NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000004909069 559201271 /nfs/dbraw/zinc/20/12/71/559201271.db2.gz CQSJZYCBVDFERG-HNNXBMFYSA-N -1 3 414.574 3.186 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NCCC1=CCCCC1 ZINC000005067914 559240258 /nfs/dbraw/zinc/24/02/58/559240258.db2.gz TVVFLRKTQIZXAA-KRWDZBQOSA-N -1 3 422.576 3.001 50 0 HGAAHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2nc(-c3ccc(F)cc3)c[nH]2)c1 ZINC000079012903 560540885 /nfs/dbraw/zinc/54/08/85/560540885.db2.gz CUTMXVLQFLLWHJ-UHFFFAOYSA-N -1 3 409.870 3.399 50 0 HGAAHM COCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000005602656 560629295 /nfs/dbraw/zinc/62/92/95/560629295.db2.gz DLHZUMASAFUOBC-UHFFFAOYSA-N -1 3 413.293 3.143 50 0 HGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc21 ZINC000017316525 560708573 /nfs/dbraw/zinc/70/85/73/560708573.db2.gz QVHWPCOZPYNWRS-UHFFFAOYSA-N -1 3 408.545 3.207 50 0 HGAAHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)CC(C)(C)C)CC2)[n-]c3=O)cc1 ZINC000018189438 560781692 /nfs/dbraw/zinc/78/16/92/560781692.db2.gz UCFAPGIWKPGYAV-UHFFFAOYSA-N -1 3 422.533 3.014 50 0 HGAAHM COC(=O)c1c(C)c(C)sc1-n1c([O-])c2onc(-c3ccccc3Cl)c2c1O ZINC000101199407 560789220 /nfs/dbraw/zinc/78/92/20/560789220.db2.gz GMQQVSUQIRXXOD-HIFRSBDPSA-N -1 3 418.858 3.097 50 0 HGAAHM COc1ccc(OC)c(-n2c(SC(C(C)=O)=C(C)[O-])nc3ccccc3c2=O)c1 ZINC000102188331 560808575 /nfs/dbraw/zinc/80/85/75/560808575.db2.gz GLZLDAHRDXRRPD-UHFFFAOYSA-N -1 3 412.467 3.042 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c1OC ZINC000102559216 560818059 /nfs/dbraw/zinc/81/80/59/560818059.db2.gz JBSCRCHHRYVXCR-WMLDXEAASA-N -1 3 421.236 3.303 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1OC ZINC000102558970 560818099 /nfs/dbraw/zinc/81/80/99/560818099.db2.gz SDEUKQBEQZDDCN-WMLDXEAASA-N -1 3 421.236 3.303 50 0 HGAAHM COC(=O)c1c(C)c(C)sc1-n1c([O-])c2onc(-c3ccccc3Cl)c2c1O ZINC000103525381 560842968 /nfs/dbraw/zinc/84/29/68/560842968.db2.gz GMQQVSUQIRXXOD-UKRRQHHQSA-N -1 3 418.858 3.097 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N2 ZINC000046074113 568426775 /nfs/dbraw/zinc/42/67/75/568426775.db2.gz YEUAKURCCREMFJ-LLVKDONJSA-N -1 3 406.895 3.298 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074285 568426851 /nfs/dbraw/zinc/42/68/51/568426851.db2.gz CQTGDJWNGBSYOH-MRXNPFEDSA-N -1 3 420.494 3.169 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074119 568426860 /nfs/dbraw/zinc/42/68/60/568426860.db2.gz ZAYHSCPKDXTYRN-LLVKDONJSA-N -1 3 406.895 3.298 50 0 HGAAHM O=C(Nc1ccccc1F)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074569 568426958 /nfs/dbraw/zinc/42/69/58/568426958.db2.gz XFSPXJQZPOHGAJ-ZDUSSCGKSA-N -1 3 424.457 3.266 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)ccc1C)CC(=O)N2 ZINC000046075705 568427083 /nfs/dbraw/zinc/42/70/83/568427083.db2.gz SIHKCAWFQMOXAM-LBPRGKRZSA-N -1 3 404.467 3.174 50 0 HGAAHM COc1ccc(C)cc1[N-]C(=O)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 ZINC000049410325 568449921 /nfs/dbraw/zinc/44/99/21/568449921.db2.gz YQJZJTAPYMIEOP-UHFFFAOYSA-N -1 3 408.393 3.085 50 0 HGAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H](c1cccs1)c1ccccc1 ZINC000012270605 568457169 /nfs/dbraw/zinc/45/71/69/568457169.db2.gz JSIZXSXNHUOHSM-FQEVSTJZSA-N -1 3 405.479 3.047 50 0 HGAAHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(OC)cc2)N1 ZINC000020036686 568586774 /nfs/dbraw/zinc/58/67/74/568586774.db2.gz NICDUCJULYUMTG-QGZVFWFLSA-N -1 3 401.385 3.053 50 0 HGAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Br)cc1F)OCC(=O)N2 ZINC000020761942 568642390 /nfs/dbraw/zinc/64/23/90/568642390.db2.gz CVVKCJRKWSMMJZ-UHFFFAOYSA-N -1 3 415.240 3.028 50 0 HGAAHM Cc1cc([N-]C(=O)[C@@H](C)N2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)on1 ZINC000225733726 568668941 /nfs/dbraw/zinc/66/89/41/568668941.db2.gz LVJHIFLGGMSLLX-BPQIPLTHSA-N -1 3 414.506 3.303 50 0 HGAAHM CSc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000096103225 568691638 /nfs/dbraw/zinc/69/16/38/568691638.db2.gz LPHMSENBTQYQHX-NSHDSACASA-N -1 3 408.364 3.244 50 0 HGAAHM COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000021537180 568712302 /nfs/dbraw/zinc/71/23/02/568712302.db2.gz HZLRGHFYHLIAEJ-UHFFFAOYSA-N -1 3 421.482 3.132 50 0 HGAAHM COc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000021537272 568712531 /nfs/dbraw/zinc/71/25/31/568712531.db2.gz WBTVXLBQAKTHKY-UHFFFAOYSA-N -1 3 421.482 3.132 50 0 HGAAHM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)s2)on1 ZINC000021540596 568713774 /nfs/dbraw/zinc/71/37/74/568713774.db2.gz CGHCXOXYGMVFEK-UHFFFAOYSA-N -1 3 412.876 3.322 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)NC2CCCCC2)[n-]c3=O)cc1C ZINC000002718056 568802582 /nfs/dbraw/zinc/80/25/82/568802582.db2.gz JHAXSDSBZUHKPO-UHFFFAOYSA-N -1 3 411.531 3.267 50 0 HGAAHM O=C(Nc1ccccc1[O-])C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000057289827 568825843 /nfs/dbraw/zinc/82/58/43/568825843.db2.gz YLHZQUDGBCWUFU-JOCHJYFZSA-N -1 3 407.514 3.406 50 0 HGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc3c(c2)OCO3)CCO1 ZINC000005862245 568826503 /nfs/dbraw/zinc/82/65/03/568826503.db2.gz JAQOCFQWSLJDLY-YVEFUNNKSA-N -1 3 417.487 3.222 50 0 HGAAHM COc1ccc(Nc2ccc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)cc2)cc1 ZINC000012554632 568855016 /nfs/dbraw/zinc/85/50/16/568855016.db2.gz HDKBZAHXKNXYBW-UHFFFAOYSA-N -1 3 416.437 3.081 50 0 HGAAHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2Br)N(C)C)cc1 ZINC000057995202 568873340 /nfs/dbraw/zinc/87/33/40/568873340.db2.gz WUFIFEMGMZWQEJ-MRXNPFEDSA-N -1 3 415.328 3.478 50 0 HGAAHM Cc1cc2occ(CC(=O)NCCn3[n-]c(=O)c4ccccc4c3=O)c2cc1Cl ZINC000670436568 568874267 /nfs/dbraw/zinc/87/42/67/568874267.db2.gz CIVSGOFZBKXBSZ-UHFFFAOYSA-N -1 3 411.845 3.169 50 0 HGAAHM O=C(NC[C@@H]1CCCO1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000003417361 568899319 /nfs/dbraw/zinc/89/93/19/568899319.db2.gz CWDYRFODLYVLRF-AWEZNQCLSA-N -1 3 412.870 3.189 50 0 HGAAHM COc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cccs3)cs2)cc1OC ZINC000004166928 568919605 /nfs/dbraw/zinc/91/96/05/568919605.db2.gz FGQXUYMIMFGIKH-UHFFFAOYSA-N -1 3 410.542 3.410 50 0 HGAAHM CCCCN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000004107320 568943363 /nfs/dbraw/zinc/94/33/63/568943363.db2.gz HGDJOQHOGBFBLT-UHFFFAOYSA-N -1 3 404.448 3.003 50 0 HGAAHM C[C@]1(c2cccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)NC(=O)[N-]C1=O ZINC000084668187 568955409 /nfs/dbraw/zinc/95/54/09/568955409.db2.gz NPSUSFMSLVJMBE-JOCHJYFZSA-N -1 3 422.872 3.074 50 0 HGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000004317580 568962690 /nfs/dbraw/zinc/96/26/90/568962690.db2.gz GNJWTFYRSWCVFC-UHFFFAOYSA-N -1 3 415.393 3.005 50 0 HGAAHM Cc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c[nH]2)o1 ZINC000085621647 569004830 /nfs/dbraw/zinc/00/48/30/569004830.db2.gz RGLAGXRKLSLCSZ-UHFFFAOYSA-N -1 3 401.217 3.076 50 0 HGAAHM Cc1cc(=O)c([O-])c(C(c2cc3c(c(Cl)c2)OCO3)c2oc(C)cc(=O)c2O)o1 ZINC000085875017 569009490 /nfs/dbraw/zinc/00/94/90/569009490.db2.gz YLYVJIGKSUZUSR-UHFFFAOYSA-N -1 3 418.785 3.183 50 0 biogenic HGAAHM CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1)O[C@@H](C)C2 ZINC000012939428 569028236 /nfs/dbraw/zinc/02/82/36/569028236.db2.gz NIJDQNXSEZLQSV-NSHDSACASA-N -1 3 424.906 3.223 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013005932 569049695 /nfs/dbraw/zinc/04/96/95/569049695.db2.gz ILJLLARWJRRNAE-CQSZACIVSA-N -1 3 415.471 3.389 50 0 HGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000135644459 569053579 /nfs/dbraw/zinc/05/35/79/569053579.db2.gz CSAGVHLTZREPBO-FDFHNCONSA-N -1 3 416.433 3.452 50 0 HGAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000239284784 569054097 /nfs/dbraw/zinc/05/40/97/569054097.db2.gz CAUKAGFZMJWBNQ-BHIFYINESA-N -1 3 416.433 3.452 50 0 HGAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000006648516 569080990 /nfs/dbraw/zinc/08/09/90/569080990.db2.gz RPFLHAOLGQAYAB-HNNXBMFYSA-N -1 3 414.874 3.471 50 0 HGAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000006648516 569080991 /nfs/dbraw/zinc/08/09/91/569080991.db2.gz RPFLHAOLGQAYAB-HNNXBMFYSA-N -1 3 414.874 3.471 50 0 HGAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000006648516 569080992 /nfs/dbraw/zinc/08/09/92/569080992.db2.gz RPFLHAOLGQAYAB-HNNXBMFYSA-N -1 3 414.874 3.471 50 0 HGAAHM CCc1cc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2cc1[O-] ZINC000019370985 569124631 /nfs/dbraw/zinc/12/46/31/569124631.db2.gz DHELFXMLOFNOAK-UHFFFAOYSA-N -1 3 422.481 3.108 50 0 HGAAHM Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000006858566 569156527 /nfs/dbraw/zinc/15/65/27/569156527.db2.gz KGXDWKFPJBIOAW-ZDUSSCGKSA-N -1 3 400.456 3.276 50 0 HGAAHM Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)n1C1CC1 ZINC000007227533 569229594 /nfs/dbraw/zinc/22/95/94/569229594.db2.gz GBHHMJPZQFVHSI-AWEZNQCLSA-N -1 3 404.488 3.240 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(C)c2)cc1 ZINC000007361895 569235277 /nfs/dbraw/zinc/23/52/77/569235277.db2.gz XECQKWHEXNBZEU-UHFFFAOYSA-N -1 3 418.515 3.242 50 0 HGAAHM O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000014328534 569259417 /nfs/dbraw/zinc/25/94/17/569259417.db2.gz QMWJSLZOQLFKGE-UHFFFAOYSA-N -1 3 421.449 3.365 50 0 HGAAHM CCCCCCn1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=S ZINC000017196099 569276416 /nfs/dbraw/zinc/27/64/16/569276416.db2.gz VVDLPTYJHPVLOF-SFHVURJKSA-N -1 3 419.547 3.444 50 0 HGAAHM COc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002878139 569278440 /nfs/dbraw/zinc/27/84/40/569278440.db2.gz BOVZTNAHQLIZSF-SNVBAGLBSA-N -1 3 403.287 3.308 50 0 HGAAHM COc1cccc2c(=O)c(C(=O)N[C@H](CCSC)c3nnc4ccccn43)c[n-]c12 ZINC000253496400 569381922 /nfs/dbraw/zinc/38/19/22/569381922.db2.gz URJRPMIGJXNTFH-OAHLLOKOSA-N -1 3 423.498 3.216 50 0 HGAAHM O=C1C[C@@H](c2cccc(Br)c2)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655801 569389900 /nfs/dbraw/zinc/38/99/00/569389900.db2.gz PVBHHPOBLCRQQS-ZDUSSCGKSA-N -1 3 403.280 3.409 50 0 HGAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1OC ZINC000002438249 569400047 /nfs/dbraw/zinc/40/00/47/569400047.db2.gz OYQZLXYJAXMVPQ-UHFFFAOYSA-N -1 3 406.323 3.049 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 ZINC000013009951 569407239 /nfs/dbraw/zinc/40/72/39/569407239.db2.gz DAOWUGWCCSYTHK-UHFFFAOYSA-N -1 3 422.470 3.215 50 0 HGAAHM O=C(N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl)c1ccco1 ZINC000008683131 571101368 /nfs/dbraw/zinc/10/13/68/571101368.db2.gz SAWAEFODFFUBQX-LBPRGKRZSA-N -1 3 408.694 3.398 50 0 HGAAHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccc(OC(F)F)cc4)cs3)nn21 ZINC000040074576 571154674 /nfs/dbraw/zinc/15/46/74/571154674.db2.gz GNJCOFKCSWMVLU-UHFFFAOYSA-N -1 3 402.386 3.410 50 0 HGAAHM CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008920218 571155259 /nfs/dbraw/zinc/15/52/59/571155259.db2.gz ZZKLABFCJUEROA-UHFFFAOYSA-N -1 3 421.935 3.376 50 0 HGAAHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040117795 571174842 /nfs/dbraw/zinc/17/48/42/571174842.db2.gz GRYVBZJRCYMBMN-ODXCJYRJSA-N -1 3 401.850 3.109 50 0 HGAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C1=O ZINC000008961637 571190017 /nfs/dbraw/zinc/19/00/17/571190017.db2.gz QUMIAPHOOSYMHF-UHFFFAOYSA-N -1 3 410.879 3.004 50 0 HGAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2C1=O ZINC000008961641 571190054 /nfs/dbraw/zinc/19/00/54/571190054.db2.gz KQCAOCSVIQWOFX-UHFFFAOYSA-N -1 3 418.515 3.377 50 0 HGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc2ncccc2c1 ZINC000009378558 571253484 /nfs/dbraw/zinc/25/34/84/571253484.db2.gz YHNOKULOXQVCFF-OAQYLSRUSA-N -1 3 408.483 3.304 50 0 HGAAHM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000009427865 571257930 /nfs/dbraw/zinc/25/79/30/571257930.db2.gz YHQACKQQRDKCTH-UHFFFAOYSA-N -1 3 424.438 3.407 50 0 HGAAHM CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4[O-])nc3c2[C@H]1c1ccco1 ZINC000009429485 571258110 /nfs/dbraw/zinc/25/81/10/571258110.db2.gz QRPDRZQNNCNGSU-KRWDZBQOSA-N -1 3 418.409 3.451 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc(OC)cc1 ZINC000009968792 571293199 /nfs/dbraw/zinc/29/31/99/571293199.db2.gz HBZPDTMKEUIPFA-LJQANCHMSA-N -1 3 401.488 3.154 50 0 HGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000010213783 571296730 /nfs/dbraw/zinc/29/67/30/571296730.db2.gz BKICAAZGCOBWJW-UHFFFAOYSA-N -1 3 416.286 3.293 50 0 HGAAHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005136036 132302388 /nfs/dbraw/zinc/30/23/88/132302388.db2.gz OTRHJPDPDKUVLE-UHFFFAOYSA-N -1 3 414.936 3.379 50 0 HGAAHM COc1ccc(N2C(=O)CC[C@H](C(=O)[N-]C3=NCCS3)[C@@H]2c2ccccc2)cc1 ZINC000007986886 132326558 /nfs/dbraw/zinc/32/65/58/132326558.db2.gz JTVGMGJYYXJIIX-ICSRJNTNSA-N -1 3 409.511 3.399 50 0 HGAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 ZINC000012180479 132355759 /nfs/dbraw/zinc/35/57/59/132355759.db2.gz NJWNOHIABXLVIG-UHFFFAOYSA-N -1 3 408.545 3.152 50 0 HGAAHM COc1c(C)cnc(CN2CCN([C@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)c1C ZINC000031812216 521812541 /nfs/dbraw/zinc/81/25/41/521812541.db2.gz GPYUPZRUAYKCED-NRFANRHFSA-N -1 3 408.502 3.132 50 0 HGAAHM COc1cc(CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1OC(F)F ZINC000032772476 522341799 /nfs/dbraw/zinc/34/17/99/522341799.db2.gz BBPBICCPMFYOTP-UHFFFAOYSA-N -1 3 415.400 3.282 50 0 HGAAHM COc1cc(CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1OC(F)F ZINC000032772476 522341810 /nfs/dbraw/zinc/34/18/10/522341810.db2.gz BBPBICCPMFYOTP-UHFFFAOYSA-N -1 3 415.400 3.282 50 0 HGAAHM O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000042382826 527225346 /nfs/dbraw/zinc/22/53/46/527225346.db2.gz RZYZEBXUHNGFBF-UHFFFAOYSA-N -1 3 419.485 3.371 50 0 HGAAHM O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000042382826 527225350 /nfs/dbraw/zinc/22/53/50/527225350.db2.gz RZYZEBXUHNGFBF-UHFFFAOYSA-N -1 3 419.485 3.371 50 0 HGAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022626247 557081275 /nfs/dbraw/zinc/08/12/75/557081275.db2.gz XONRSEMPUHXCAA-KRWDZBQOSA-N -1 3 414.531 3.478 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)cc1 ZINC000002886293 557422322 /nfs/dbraw/zinc/42/23/22/557422322.db2.gz PYHOLZIXKLVZNL-UHFFFAOYSA-N -1 3 421.544 3.355 50 0 HGAAHM Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000002890349 557423507 /nfs/dbraw/zinc/42/35/07/557423507.db2.gz GIQIOWFYOVWBBD-UHFFFAOYSA-N -1 3 424.526 3.208 50 0 HGAAHM CN1OC[C@H](S(=O)(=O)[N-]CCc2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739038 557449901 /nfs/dbraw/zinc/44/99/01/557449901.db2.gz OPYWWEIMZNOKPI-LEWJYISDSA-N -1 3 402.560 3.433 50 0 HGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000034739294 557451122 /nfs/dbraw/zinc/45/11/22/557451122.db2.gz QSETTYVGZPLHPP-FCHUYYIVSA-N -1 3 418.559 3.267 50 0 HGAAHM CSCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1 ZINC000002720222 557746986 /nfs/dbraw/zinc/74/69/86/557746986.db2.gz SQBJGRDOLHHQEX-UHFFFAOYSA-N -1 3 424.548 3.138 50 0 HGAAHM COCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2CCC1=O ZINC000022688453 557779606 /nfs/dbraw/zinc/77/96/06/557779606.db2.gz DSVNDQYQWWZDKL-UHFFFAOYSA-N -1 3 402.516 3.338 50 0 HGAAHM CCc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)cc1 ZINC000012413377 558401652 /nfs/dbraw/zinc/40/16/52/558401652.db2.gz ASBUALZVILJXPA-UHFFFAOYSA-N -1 3 405.483 3.402 50 0 biogenic,in-vitro HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000020929260 558423878 /nfs/dbraw/zinc/42/38/78/558423878.db2.gz GPWXJPKUIKGUHN-UHFFFAOYSA-N -1 3 411.483 3.170 50 0 HGAAHM CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccco1 ZINC000023081047 558533858 /nfs/dbraw/zinc/53/38/58/558533858.db2.gz RFKJCYBGTFITTB-LJQANCHMSA-N -1 3 413.499 3.113 50 0 HGAAHM COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c(OC)c1[O-] ZINC000072191451 558563098 /nfs/dbraw/zinc/56/30/98/558563098.db2.gz QWWSPTILDXUTLI-UHFFFAOYSA-N -1 3 403.435 3.319 50 0 HGAAHM COc1ccc(Cl)cc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000024984081 558624532 /nfs/dbraw/zinc/62/45/32/558624532.db2.gz DBKOGODPVKETSZ-UHFFFAOYSA-N -1 3 400.953 3.353 50 0 HGAAHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)nc1 ZINC000024987039 558625219 /nfs/dbraw/zinc/62/52/19/558625219.db2.gz HXLLGGCFEZVCLV-SFHVURJKSA-N -1 3 413.474 3.057 50 0 HGAAHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)on1 ZINC000026601170 558663425 /nfs/dbraw/zinc/66/34/25/558663425.db2.gz LNRPYPOJAYMYJM-SJORKVTESA-N -1 3 424.505 3.047 50 0 HGAAHM CCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccccc3N3CCCC3)cc(C(C)C)nc21 ZINC000029829937 558721894 /nfs/dbraw/zinc/72/18/94/558721894.db2.gz VZJLEYAJJVJFDJ-UHFFFAOYSA-N -1 3 421.501 3.081 50 0 HGAAHM C[C@H]1CCc2c(sc3[n-]c(COC(=O)c4cc(=O)[nH]c5ccccc54)nc(=O)c23)C1 ZINC000015587178 558745103 /nfs/dbraw/zinc/74/51/03/558745103.db2.gz BAEHDAVKTHGYNL-NSHDSACASA-N -1 3 421.478 3.308 50 0 HGAAHM CCOC(=O)[C@]([N-]c1cc(C)on1)(NC(=O)c1ccccc1OCC)C(F)(F)F ZINC000003103569 558750029 /nfs/dbraw/zinc/75/00/29/558750029.db2.gz RFZBUYLIQMWIHG-KRWDZBQOSA-N -1 3 415.368 3.045 50 0 HGAAHM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033115459 558761831 /nfs/dbraw/zinc/76/18/31/558761831.db2.gz MXCYQPCNLQRNCH-UHFFFAOYSA-N -1 3 416.543 3.207 50 0 HGAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(C)cc3s2)n1 ZINC000016806333 558807519 /nfs/dbraw/zinc/80/75/19/558807519.db2.gz NPQDHLVVCSEUMK-UHFFFAOYSA-N -1 3 410.908 3.484 50 0 HGAAHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000033029189 558852240 /nfs/dbraw/zinc/85/22/40/558852240.db2.gz SEHKAWAOFJNVSS-KXBFYZLASA-N -1 3 424.888 3.058 50 0 HGAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000033029191 558852252 /nfs/dbraw/zinc/85/22/52/558852252.db2.gz SEHKAWAOFJNVSS-DNVCBOLYSA-N -1 3 424.888 3.058 50 0 HGAAHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000058440735 558927568 /nfs/dbraw/zinc/92/75/68/558927568.db2.gz QQPLSLDEUUDFEC-UHFFFAOYSA-N -1 3 420.556 3.444 50 0 HGAAHM COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000023156859 559022702 /nfs/dbraw/zinc/02/27/02/559022702.db2.gz UMFWORAVHKSVQX-MRXNPFEDSA-N -1 3 400.504 3.088 50 0 HGAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2s1 ZINC000033299035 559048309 /nfs/dbraw/zinc/04/83/09/559048309.db2.gz POPCPZCBCWDCEK-UHFFFAOYSA-N -1 3 410.542 3.422 50 0 HGAAHM CN(CCc1ccccn1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091439969 559071478 /nfs/dbraw/zinc/07/14/78/559071478.db2.gz JSACEQRSEJUIMA-UHFFFAOYSA-N -1 3 417.296 3.377 50 0 HGAAHM CSCc1cccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000011451448 559077040 /nfs/dbraw/zinc/07/70/40/559077040.db2.gz VZGVRUOPXZGOBJ-UHFFFAOYSA-N -1 3 410.586 3.194 50 0 HGAAHM Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000004874119 559194852 /nfs/dbraw/zinc/19/48/52/559194852.db2.gz HSUGZSYRIOUKLH-IBGZPJMESA-N -1 3 414.552 3.263 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NCCC1=CCCCC1 ZINC000005067916 559240274 /nfs/dbraw/zinc/24/02/74/559240274.db2.gz TVVFLRKTQIZXAA-QGZVFWFLSA-N -1 3 422.576 3.001 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccnc2)CC3)c(C)c1 ZINC000011906501 559266723 /nfs/dbraw/zinc/26/67/23/559266723.db2.gz ZJLVUOVLSOKMLO-UHFFFAOYSA-N -1 3 423.494 3.402 50 0 HGAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)nc1C ZINC000011916817 559268247 /nfs/dbraw/zinc/26/82/47/559268247.db2.gz OWDGGZCRHQNIAN-UHFFFAOYSA-N -1 3 415.427 3.307 50 0 HGAAHM COc1cccc(N2CCN(C(=O)Cc3c(C)c4ccc([O-])c(C)c4oc3=O)CC2)c1 ZINC000061717486 559292690 /nfs/dbraw/zinc/29/26/90/559292690.db2.gz SVKPJWBRTMPDSO-UHFFFAOYSA-N -1 3 422.481 3.015 50 0 HGAAHM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)c([O-])c(OC)c2)NC(=O)N1 ZINC000000647113 560178551 /nfs/dbraw/zinc/17/85/51/560178551.db2.gz ACXYAIZBAYFXGU-CQSZACIVSA-N -1 3 413.268 3.135 50 0 biogenic,in-vitro HGAAHM COc1ccc(I)cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000170615123 560767886 /nfs/dbraw/zinc/76/78/86/560767886.db2.gz SDARXHZLXPCOPC-NSHDSACASA-N -1 3 417.268 3.339 50 0 HGAAHM O=C(Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O)Nc1ccc(Br)cc1 ZINC000101800945 560802053 /nfs/dbraw/zinc/80/20/53/560802053.db2.gz USRLVJXIRIEMRA-UHFFFAOYSA-N -1 3 415.222 3.370 50 0 HGAAHM COc1cc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104496956 560851828 /nfs/dbraw/zinc/85/18/28/560851828.db2.gz YAFLTSYZQRLUQS-GOSISDBHSA-N -1 3 420.937 3.132 50 0 HGAAHM O=C(CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000046031435 568424521 /nfs/dbraw/zinc/42/45/21/568424521.db2.gz ZVZOANUBWZMEAF-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000046074665 568426973 /nfs/dbraw/zinc/42/69/73/568426973.db2.gz QGMBPNCWNYSXFU-MRXNPFEDSA-N -1 3 420.494 3.435 50 0 HGAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)c1 ZINC000046074772 568426977 /nfs/dbraw/zinc/42/69/77/568426977.db2.gz TWJJNQIGAJWRBB-INIZCTEOSA-N -1 3 420.494 3.435 50 0 HGAAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)OCc1csc(-c2ccccc2)n1 ZINC000005905743 568454227 /nfs/dbraw/zinc/45/42/27/568454227.db2.gz BSPFZEWTXCUULZ-VAWYXSNFSA-N -1 3 414.508 3.444 50 0 HGAAHM O=S(=O)(CC[C@@H]1CCCO1)[N-]C1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000095449626 568613896 /nfs/dbraw/zinc/61/38/96/568613896.db2.gz TYNNFMYBZUDUDO-HNNXBMFYSA-N -1 3 411.549 3.446 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000040081846 568618691 /nfs/dbraw/zinc/61/86/91/568618691.db2.gz FVDUREGHNUPYOT-FQEVSTJZSA-N -1 3 424.526 3.110 50 0 HGAAHM COC(=O)C[C@H](c1ccnn1C)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000095479240 568632138 /nfs/dbraw/zinc/63/21/38/568632138.db2.gz PMYDBSKIRNLIDM-OAHLLOKOSA-N -1 3 418.446 3.205 50 0 HGAAHM O=C([N-]C1(C(=O)Nc2ccccc2)CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000095997646 568679341 /nfs/dbraw/zinc/67/93/41/568679341.db2.gz KNXPMYWFCPFVIC-UHFFFAOYSA-N -1 3 405.420 3.338 50 0 HGAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)o1 ZINC000096117244 568696595 /nfs/dbraw/zinc/69/65/95/568696595.db2.gz LKBCZPOFOIOIEU-ZDUSSCGKSA-N -1 3 402.321 3.085 50 0 HGAAHM COC1(C[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C2CC3CC(C2)CC1C3 ZINC000096123902 568700556 /nfs/dbraw/zinc/70/05/56/568700556.db2.gz OMSDRHCIEQVPEA-NHOGNMSQSA-N -1 3 409.592 3.143 50 0 HGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1O ZINC000096232772 568708357 /nfs/dbraw/zinc/70/83/57/568708357.db2.gz UESWMFBPWASBHR-PXAZEXFGSA-N -1 3 419.503 3.208 50 0 HGAAHM COC(=O)CN1C(=O)N(C2CCCCC2)[C@@H](N([O-])C(=O)NC2CCCCC2)C1(C)C ZINC000000863153 568719347 /nfs/dbraw/zinc/71/93/47/568719347.db2.gz WFFPCYXTXPNSMY-SFHVURJKSA-N -1 3 424.542 3.068 50 0 HGAAHM CCOC(=O)c1nnsc1[N-]C(=O)Nc1c(F)cc(Br)cc1F ZINC000096319554 568727605 /nfs/dbraw/zinc/72/76/05/568727605.db2.gz CHEVQTGSBPZYDM-UHFFFAOYSA-N -1 3 407.196 3.400 50 0 HGAAHM Cc1ccc(Cc2cnc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)s2)cc1 ZINC000018701205 568738465 /nfs/dbraw/zinc/73/84/65/568738465.db2.gz QZWYAMTUPXQGHS-UHFFFAOYSA-N -1 3 420.494 3.074 50 0 HGAAHM Cc1c([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cnn1-c1ccc(C)cc1 ZINC000029282383 568824008 /nfs/dbraw/zinc/82/40/08/568824008.db2.gz MJSIOWUBFRXYPK-OAHLLOKOSA-N -1 3 412.515 3.352 50 0 HGAAHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1Br ZINC000057412503 568833113 /nfs/dbraw/zinc/83/31/13/568833113.db2.gz LBMYRNLBNJIUOL-UHFFFAOYSA-N -1 3 406.204 3.315 50 0 HGAAHM CCCNc1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000012548576 568851617 /nfs/dbraw/zinc/85/16/17/568851617.db2.gz DTTSMVYKTSNCDA-SNVBAGLBSA-N -1 3 400.551 3.095 50 0 HGAAHM CCN1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CC1 ZINC000012560761 568858163 /nfs/dbraw/zinc/85/81/63/568858163.db2.gz HUCLEMKDZRULOB-UHFFFAOYSA-N -1 3 415.559 3.318 50 0 HGAAHM CC(C)C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1cccc(F)c1 ZINC000003219620 568863096 /nfs/dbraw/zinc/86/30/96/568863096.db2.gz DSGUTHSHTCQMCE-HNNXBMFYSA-N -1 3 422.507 3.162 50 0 HGAAHM Cc1c(Cl)cccc1NC(=O)CSc1nnc2[n-]c(=O)c(C(C)(C)C)nn21 ZINC000004251447 568886020 /nfs/dbraw/zinc/88/60/20/568886020.db2.gz GGUTYMAZLQCXLK-UHFFFAOYSA-N -1 3 406.899 3.215 50 0 HGAAHM CC(C)(C)c1nn2c(nnc2SCC(=O)c2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000004251425 568955205 /nfs/dbraw/zinc/95/52/05/568955205.db2.gz DFJRKTGAGZZRMQ-UHFFFAOYSA-N -1 3 412.302 3.392 50 0 HGAAHM C[C@]1(CSc2ccccc2C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)NC(=O)[N-]C1=O ZINC000008368564 568995489 /nfs/dbraw/zinc/99/54/89/568995489.db2.gz CJMRDASYUVWUQU-PDSXEYIOSA-N -1 3 401.532 3.029 50 0 HGAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012855587 569010978 /nfs/dbraw/zinc/01/09/78/569010978.db2.gz PIDFRQZKAXTUCP-UHFFFAOYSA-N -1 3 421.327 3.235 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000239287403 569054124 /nfs/dbraw/zinc/05/41/24/569054124.db2.gz CSAGVHLTZREPBO-BHIFYINESA-N -1 3 416.433 3.452 50 0 HGAAHM O=C([O-])c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000245245708 569055418 /nfs/dbraw/zinc/05/54/18/569055418.db2.gz GGMRDPNNDBIXGV-QHAWAJNXSA-N -1 3 414.417 3.436 50 0 HGAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000245245708 569055419 /nfs/dbraw/zinc/05/54/19/569055419.db2.gz GGMRDPNNDBIXGV-QHAWAJNXSA-N -1 3 414.417 3.436 50 0 HGAAHM O=C(Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)s1)N1CCCCC1 ZINC000064919698 569121019 /nfs/dbraw/zinc/12/10/19/569121019.db2.gz NDKBFRSPSKCADS-UHFFFAOYSA-N -1 3 412.964 3.435 50 0 HGAAHM Cc1ccc(Cc2nnc(CC[N-]S(=O)(=O)c3ccccc3C(F)(F)F)[nH]2)cc1 ZINC000064969626 569138432 /nfs/dbraw/zinc/13/84/32/569138432.db2.gz ZYVSNDZRMCVDQU-UHFFFAOYSA-N -1 3 424.448 3.244 50 0 HGAAHM CCOC(=O)Cc1csc([N-]C(=O)c2snnc2-c2ccc(OC)cc2)n1 ZINC000036360013 569151749 /nfs/dbraw/zinc/15/17/49/569151749.db2.gz HNVWHQPZAKLHIZ-UHFFFAOYSA-N -1 3 404.473 3.028 50 0 HGAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004069 569152277 /nfs/dbraw/zinc/15/22/77/569152277.db2.gz SZXSXEPHQNTIBA-UHFFFAOYSA-N -1 3 404.469 3.488 50 0 HGAAHM COCCn1c(SCC(=O)[N-]C(=O)c2cccs2)nnc1-c1cccc(C)c1 ZINC000006851403 569154653 /nfs/dbraw/zinc/15/46/53/569154653.db2.gz MGBDGLATYMWXGN-UHFFFAOYSA-N -1 3 416.528 3.010 50 0 HGAAHM O=C(c1noc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc21)N1CCCCC1 ZINC000065115261 569179213 /nfs/dbraw/zinc/17/92/13/569179213.db2.gz NWOQWANCLQWNNI-UHFFFAOYSA-N -1 3 403.435 3.394 50 0 HGAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000006915705 569181000 /nfs/dbraw/zinc/18/10/00/569181000.db2.gz IVNWFCVJQWQZEE-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM O=C(c1cc(Br)c(Br)s1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000036611200 569208745 /nfs/dbraw/zinc/20/87/45/569208745.db2.gz ZMRIBOKTDPKZSN-MRVPVSSYSA-N -1 3 422.020 3.356 50 0 HGAAHM CCOC(=O)C[C@@H](c1ccc(OC2CCCC2)cc1)c1oc(CO)cc(=O)c1[O-] ZINC000071283602 569251885 /nfs/dbraw/zinc/25/18/85/569251885.db2.gz KMLVNXGPAMOIMA-SFHVURJKSA-N -1 3 402.443 3.244 50 0 HGAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)on1 ZINC000014146082 569258729 /nfs/dbraw/zinc/25/87/29/569258729.db2.gz ULWFLSAPLJDIDT-RNCFNFMXSA-N -1 3 409.851 3.010 50 0 HGAAHM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000089894004 569268081 /nfs/dbraw/zinc/26/80/81/569268081.db2.gz SQCULIRZWLDVTL-UHFFFAOYSA-N -1 3 402.462 3.246 50 0 HGAAHM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000089894004 569268082 /nfs/dbraw/zinc/26/80/82/569268082.db2.gz SQCULIRZWLDVTL-UHFFFAOYSA-N -1 3 402.462 3.246 50 0 HGAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814256 569312680 /nfs/dbraw/zinc/31/26/80/569312680.db2.gz KDZJXGFIUOVUDI-ZDUSSCGKSA-N -1 3 419.938 3.480 50 0 HGAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814256 569312681 /nfs/dbraw/zinc/31/26/81/569312681.db2.gz KDZJXGFIUOVUDI-ZDUSSCGKSA-N -1 3 419.938 3.480 50 0 HGAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814256 569312682 /nfs/dbraw/zinc/31/26/82/569312682.db2.gz KDZJXGFIUOVUDI-ZDUSSCGKSA-N -1 3 419.938 3.480 50 0 HGAAHM O=S(=O)([N-]CCc1cccnc1)c1ccc(Br)cc1Br ZINC000037718798 569314647 /nfs/dbraw/zinc/31/46/47/569314647.db2.gz HTAMSPJUTVVPDX-UHFFFAOYSA-N -1 3 420.126 3.128 50 0 HGAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000002256995 569326518 /nfs/dbraw/zinc/32/65/18/569326518.db2.gz JAIMCKOJJYZFAX-MRXNPFEDSA-N -1 3 401.772 3.399 50 0 HGAAHM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1oc2ccccc2c(=O)c1[O-] ZINC000253414411 569366975 /nfs/dbraw/zinc/36/69/75/569366975.db2.gz XKRVRVIQASRZJT-AWEZNQCLSA-N -1 3 414.410 3.219 50 0 biogenic HGAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000002306175 569372438 /nfs/dbraw/zinc/37/24/38/569372438.db2.gz LAJXPDYRQBTCJZ-INIZCTEOSA-N -1 3 401.772 3.399 50 0 HGAAHM COC(=O)[C@@]([N-]c1ncc(C)s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002348313 569380546 /nfs/dbraw/zinc/38/05/46/569380546.db2.gz MBPOIUHGUCSIEF-AWEZNQCLSA-N -1 3 407.801 3.378 50 0 HGAAHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C[C@H]2C1 ZINC000253536202 569382967 /nfs/dbraw/zinc/38/29/67/569382967.db2.gz IVVMXJJKZGTCJD-OKILXGFUSA-N -1 3 410.474 3.380 50 0 HGAAHM O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)[N-]c1n[nH]cc1Br ZINC000328594018 569415661 /nfs/dbraw/zinc/41/56/61/569415661.db2.gz JJABRCYJCHLKGO-UHFFFAOYSA-N -1 3 400.176 3.013 50 0 HGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[n-]c(=O)c2C1 ZINC000067291746 571068367 /nfs/dbraw/zinc/06/83/67/571068367.db2.gz QYFQQKUMBLEWCC-UHFFFAOYSA-N -1 3 422.938 3.343 50 0 HGAAHM Cc1ccc(-c2nc(C(=O)Nc3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)cs2)cc1 ZINC000040111129 571169316 /nfs/dbraw/zinc/16/93/16/571169316.db2.gz REAXGWCAOHZYCK-NRFANRHFSA-N -1 3 406.467 3.425 50 0 HGAAHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040117791 571174752 /nfs/dbraw/zinc/17/47/52/571174752.db2.gz GRYVBZJRCYMBMN-MPBGBICISA-N -1 3 401.850 3.109 50 0 HGAAHM CCOc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000009490131 571262594 /nfs/dbraw/zinc/26/25/94/571262594.db2.gz HCRLQXPIYZEFIE-UHFFFAOYSA-N -1 3 421.482 3.238 50 0 HGAAHM CCOc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)cc1 ZINC000009490131 571262595 /nfs/dbraw/zinc/26/25/95/571262595.db2.gz HCRLQXPIYZEFIE-UHFFFAOYSA-N -1 3 421.482 3.238 50 0 HGAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)NCc2ccc(F)cc2)[n-]c3=O)c1 ZINC000009522453 571265796 /nfs/dbraw/zinc/26/57/96/571265796.db2.gz ABFDIYZNPMCLRB-UHFFFAOYSA-N -1 3 423.473 3.377 50 0 HGAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1=O ZINC000009828213 571286819 /nfs/dbraw/zinc/28/68/19/571286819.db2.gz MIVQUBFAKMJKKN-UHFFFAOYSA-N -1 3 400.500 3.221 50 0 HGAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(=O)n(C)n3)c2)cc1 ZINC000010324765 571300372 /nfs/dbraw/zinc/30/03/72/571300372.db2.gz GLYMFRRTTWQWOW-UHFFFAOYSA-N -1 3 413.499 3.427 50 0 HGAAHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005136050 132302407 /nfs/dbraw/zinc/30/24/07/132302407.db2.gz QOFROFHNLWDEHL-UHFFFAOYSA-N -1 3 414.936 3.379 50 0 HGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12 ZINC000006660685 132312691 /nfs/dbraw/zinc/31/26/91/132312691.db2.gz ABMMXRHATCGOSS-UHFFFAOYSA-N -1 3 406.482 3.397 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c(C)c1 ZINC000009529569 132340767 /nfs/dbraw/zinc/34/07/67/132340767.db2.gz RJCHIFMFNZMPHI-UHFFFAOYSA-N -1 3 424.526 3.398 50 0 HGAAHM O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]1 ZINC000009698501 132342712 /nfs/dbraw/zinc/34/27/12/132342712.db2.gz VBLIFNCRUUALHC-UHFFFAOYSA-N -1 3 424.888 3.141 50 0 HGAAHM CCc1ccc(NC(=O)[C@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000032865319 523989434 /nfs/dbraw/zinc/98/94/34/523989434.db2.gz JDKIYOUHDUCKDS-HNNXBMFYSA-N -1 3 421.588 3.080 50 0 HGAAHM Cc1nn2c(nc(CSc3nnc([N-]c4ccccc4F)s3)cc2=O)s1 ZINC000044029598 526313055 /nfs/dbraw/zinc/31/30/55/526313055.db2.gz VGOVZOGJWYZGCJ-UHFFFAOYSA-N -1 3 406.493 3.486 50 0 HGAAHM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c(Cl)cc2N1 ZINC000032094857 527036973 /nfs/dbraw/zinc/03/69/73/527036973.db2.gz GKEKMFJNBDSEQL-UHFFFAOYSA-N -1 3 401.669 3.398 50 0 HGAAHM O=C(Nc1cccc(Cl)c1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040284963 527342127 /nfs/dbraw/zinc/34/21/27/527342127.db2.gz MWNYMZBKOUGINW-CQSZACIVSA-N -1 3 409.833 3.231 50 0 HGAAHM CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000000729383 557074453 /nfs/dbraw/zinc/07/44/53/557074453.db2.gz UFLPIEPPBSOXHK-CXAGYDPISA-N -1 3 424.881 3.137 50 0 HGAAHM COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022626313 557084271 /nfs/dbraw/zinc/08/42/71/557084271.db2.gz VKPOWOAGBOMZKK-INIZCTEOSA-N -1 3 400.504 3.088 50 0 HGAAHM O=S(=O)([N-]Cc1ccccn1)c1ccc(Br)cc1Br ZINC000000831022 557095524 /nfs/dbraw/zinc/09/55/24/557095524.db2.gz FMPKYWPLEVEXLT-UHFFFAOYSA-N -1 3 406.099 3.085 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 ZINC000001065574 557166266 /nfs/dbraw/zinc/16/62/66/557166266.db2.gz BEJVBKCATBFXEV-UHFFFAOYSA-N -1 3 410.495 3.491 50 0 HGAAHM COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000001088037 557176887 /nfs/dbraw/zinc/17/68/87/557176887.db2.gz XSJNDFFBEGURMO-UHFFFAOYSA-N -1 3 404.488 3.304 50 0 HGAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc(Cl)c1[O-] ZINC000001451731 557267457 /nfs/dbraw/zinc/26/74/57/557267457.db2.gz KBDZHOGSBSCBOI-GOSISDBHSA-N -1 3 416.861 3.468 50 0 HGAAHM CCc1nc2sc([C@H](c3ccccc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853579 557840328 /nfs/dbraw/zinc/84/03/28/557840328.db2.gz LIXFGNXNBVCYMM-INIZCTEOSA-N -1 3 400.504 3.033 50 0 HGAAHM CCc1nc2sc([C@@H](c3ccccc3F)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854069 557840848 /nfs/dbraw/zinc/84/08/48/557840848.db2.gz LEZDCEBGKDOQIH-MRXNPFEDSA-N -1 3 418.494 3.126 50 0 HGAAHM CCc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c1 ZINC000020213319 558348027 /nfs/dbraw/zinc/34/80/27/558348027.db2.gz UTSKOBKUCPMPLB-UHFFFAOYSA-N -1 3 405.483 3.402 50 0 HGAAHM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(c2ccccn2)CC1 ZINC000020726285 558404968 /nfs/dbraw/zinc/40/49/68/558404968.db2.gz CJNVYKLVQPXYCS-SFHVURJKSA-N -1 3 415.291 3.273 50 0 HGAAHM Cc1nc(C)c(CCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)c(=O)[n-]1 ZINC000022311660 558477667 /nfs/dbraw/zinc/47/76/67/558477667.db2.gz LIBNEFZBSOVSHB-SFHVURJKSA-N -1 3 419.909 3.172 50 0 HGAAHM O=C(Nc1ccccc1O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000023075009 558533260 /nfs/dbraw/zinc/53/32/60/558533260.db2.gz UDKUMRPTPMOWJQ-SFHVURJKSA-N -1 3 414.458 3.060 50 0 HGAAHM CCCCOc1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000013722723 558582751 /nfs/dbraw/zinc/58/27/51/558582751.db2.gz QDSOSNWHXFYDEB-UHFFFAOYSA-N -1 3 417.469 3.218 50 0 HGAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000024889399 558619060 /nfs/dbraw/zinc/61/90/60/558619060.db2.gz QIPIVZFZFFXDKD-UHFFFAOYSA-N -1 3 407.879 3.091 50 0 HGAAHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)nc1 ZINC000024987036 558625311 /nfs/dbraw/zinc/62/53/11/558625311.db2.gz HXLLGGCFEZVCLV-GOSISDBHSA-N -1 3 413.474 3.057 50 0 HGAAHM CN(C)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000025285919 558636716 /nfs/dbraw/zinc/63/67/16/558636716.db2.gz CFMJUIGUPGIMIX-UHFFFAOYSA-N -1 3 416.330 3.086 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)[C@@H]3CCCO3)c2)cc1 ZINC000027913251 558684486 /nfs/dbraw/zinc/68/44/86/558684486.db2.gz RQZJFQZEZJOUIN-UZLBHIALSA-N -1 3 402.516 3.402 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)c2)cc1 ZINC000027913257 558684499 /nfs/dbraw/zinc/68/44/99/558684499.db2.gz RQZJFQZEZJOUIN-JXFKEZNVSA-N -1 3 402.516 3.402 50 0 HGAAHM C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043466 558704321 /nfs/dbraw/zinc/70/43/21/558704321.db2.gz ORZAHIHXWILKII-KRWDZBQOSA-N -1 3 407.514 3.411 50 0 HGAAHM Cc1cccc(C)c1NC(=O)CSc1nnc2[n-]c(=O)c(Cc3ccccc3)nn21 ZINC000015882050 558760653 /nfs/dbraw/zinc/76/06/53/558760653.db2.gz MWZOLEQEQAUOIE-UHFFFAOYSA-N -1 3 420.498 3.163 50 0 HGAAHM COc1ccc(CN2CCN(Cc3cc(=O)oc4c(C)c([O-])ccc34)CC2)cc1OC ZINC000019540685 558914222 /nfs/dbraw/zinc/91/42/22/558914222.db2.gz YCSYNDGEGDNBIK-UHFFFAOYSA-N -1 3 424.497 3.142 50 0 HGAAHM COC(=O)c1ccc2c(=O)[n-]c(C(Cl)=Cc3cn(-c4ccccc4)nn3)nc2c1 ZINC000058356128 558921306 /nfs/dbraw/zinc/92/13/06/558921306.db2.gz PZDONRXMUJISIH-YBEGLDIGSA-N -1 3 407.817 3.440 50 0 HGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1cc(C)cc(C)c1 ZINC000022496305 558997291 /nfs/dbraw/zinc/99/72/91/558997291.db2.gz FKIPXSHYHIODQU-UHFFFAOYSA-N -1 3 414.321 3.432 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1 ZINC000033276302 559036056 /nfs/dbraw/zinc/03/60/56/559036056.db2.gz XEZKWYCLNOMGKR-UHFFFAOYSA-N -1 3 408.277 3.461 50 0 HGAAHM Cc1cccc(C)c1OCc1nnc(SCC(=O)[N-]C2=NCCS2)n1C(C)C ZINC000004736573 559036543 /nfs/dbraw/zinc/03/65/43/559036543.db2.gz XESRQPQTYVQNIF-UHFFFAOYSA-N -1 3 419.576 3.366 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)c(C)c2)cc1 ZINC000004742103 559044579 /nfs/dbraw/zinc/04/45/79/559044579.db2.gz AJPQTFSNUZCUAU-UHFFFAOYSA-N -1 3 414.483 3.392 50 0 HGAAHM CN1C2=C(C(=O)N(c3ccccc3[O-])C2)[C@@H](c2ccc(Br)cc2)NC1=O ZINC000004776459 559059566 /nfs/dbraw/zinc/05/95/66/559059566.db2.gz ZVSGUAXBGSYVCX-QGZVFWFLSA-N -1 3 414.259 3.152 50 0 HGAAHM Cc1cccnc1CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091713793 559073387 /nfs/dbraw/zinc/07/33/87/559073387.db2.gz YIDPURXCECTFRP-UHFFFAOYSA-N -1 3 403.269 3.301 50 0 HGAAHM O=C(c1ccccc1C(F)(F)F)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450523 559076648 /nfs/dbraw/zinc/07/66/48/559076648.db2.gz DBFZXFOLQWSBJL-UHFFFAOYSA-N -1 3 418.462 3.350 50 0 HGAAHM Cn1c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)cc2n(C)c1=O ZINC000011615484 559114556 /nfs/dbraw/zinc/11/45/56/559114556.db2.gz NTDYBSDFVMFJAF-UHFFFAOYSA-N -1 3 419.812 3.350 50 0 HGAAHM CCc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000005067944 559240288 /nfs/dbraw/zinc/24/02/88/559240288.db2.gz ICKLIDUKZCQHLW-QGZVFWFLSA-N -1 3 418.544 3.195 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1NC(C)=O ZINC000005262006 560552832 /nfs/dbraw/zinc/55/28/32/560552832.db2.gz OKMMMQPXTGNTGO-UHFFFAOYSA-N -1 3 411.483 3.440 50 0 HGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(CCCO)C3=O)cc1Cl ZINC000005343592 560566479 /nfs/dbraw/zinc/56/64/79/560566479.db2.gz RDLYOBNTXHLYHK-HXUWFJFHSA-N -1 3 413.861 3.377 50 0 HGAAHM CC(C)c1ccc(-n2c(=O)[nH]c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c2=O)cc1 ZINC000017196757 560704220 /nfs/dbraw/zinc/70/42/20/560704220.db2.gz KYNGBOGEFWBECF-OAQYLSRUSA-N -1 3 416.481 3.071 50 0 biogenic HGAAHM CC(C)c1ccc(-n2c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000017196757 560704222 /nfs/dbraw/zinc/70/42/22/560704222.db2.gz KYNGBOGEFWBECF-OAQYLSRUSA-N -1 3 416.481 3.071 50 0 biogenic HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000018032099 560772928 /nfs/dbraw/zinc/77/29/28/560772928.db2.gz WNEKZWPTJUMKHF-UHFFFAOYSA-N -1 3 417.494 3.180 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000018032099 560772929 /nfs/dbraw/zinc/77/29/29/560772929.db2.gz WNEKZWPTJUMKHF-UHFFFAOYSA-N -1 3 417.494 3.180 50 0 HGAAHM COc1ccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)c(OC)c1 ZINC000018179789 560781565 /nfs/dbraw/zinc/78/15/65/560781565.db2.gz VKUQRBISRFOJKN-NVXWUHKLSA-N -1 3 421.236 3.303 50 0 HGAAHM COc1ccc(OC)c(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1 ZINC000101275764 560790299 /nfs/dbraw/zinc/79/02/99/560790299.db2.gz NFGWILGBIZOCNO-WBVHZDCISA-N -1 3 421.236 3.303 50 0 HGAAHM CN(Cc1ccccc1)Cc1c([O-])occ(CN2CCN(c3ccccc3)CC2)c1=O ZINC000101374413 560793468 /nfs/dbraw/zinc/79/34/68/560793468.db2.gz SOJWFFAUPXGXRB-UHFFFAOYSA-N -1 3 419.525 3.300 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000051316709 560856570 /nfs/dbraw/zinc/85/65/70/560856570.db2.gz ZENSNPBTMVTFIB-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000051316709 560856571 /nfs/dbraw/zinc/85/65/71/560856571.db2.gz ZENSNPBTMVTFIB-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1 ZINC000051316750 560856795 /nfs/dbraw/zinc/85/67/95/560856795.db2.gz BYJZUEICYKZCCO-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1 ZINC000051316750 560856796 /nfs/dbraw/zinc/85/67/96/560856796.db2.gz BYJZUEICYKZCCO-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(OC)nc(C)n3)cc2)cc1 ZINC000012226099 560894195 /nfs/dbraw/zinc/89/41/95/560894195.db2.gz VJHWAXQWHPAXLU-UHFFFAOYSA-N -1 3 400.460 3.347 50 0 HGAAHM CNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccccc1Br ZINC000045962063 568422833 /nfs/dbraw/zinc/42/28/33/568422833.db2.gz LLWXUIKCJZHQRK-UHFFFAOYSA-N -1 3 409.261 3.398 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000046075586 568427029 /nfs/dbraw/zinc/42/70/29/568427029.db2.gz MAVJHTFFAXUMDS-CQSZACIVSA-N -1 3 400.504 3.343 50 0 HGAAHM COc1ccc(C)c2cc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)c(=O)[nH]c12 ZINC000049597364 568452447 /nfs/dbraw/zinc/45/24/47/568452447.db2.gz QJPZIYYXWYLBLG-UHFFFAOYSA-N -1 3 412.920 3.081 50 0 HGAAHM COc1ccc([C@@]2(C)[N-]C(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 ZINC000008327388 568497044 /nfs/dbraw/zinc/49/70/44/568497044.db2.gz MORPBXCRUDGAKY-GOSISDBHSA-N -1 3 400.303 3.358 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000096396292 568744929 /nfs/dbraw/zinc/74/49/29/568744929.db2.gz VHRRDSXNUAZQDA-INIZCTEOSA-N -1 3 408.907 3.049 50 0 HGAAHM C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000015043767 568748367 /nfs/dbraw/zinc/74/83/67/568748367.db2.gz YHUZNBCTZHINTR-HOTGVXAUSA-N -1 3 413.493 3.448 50 0 HGAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000230019938 568801989 /nfs/dbraw/zinc/80/19/89/568801989.db2.gz AIRJRZRRFRLGKT-XUVXKRRUSA-N -1 3 418.405 3.117 50 0 HGAAHM O=S(=O)([N-]CCc1ccccn1)c1cc(Br)ccc1Br ZINC000012526722 568843244 /nfs/dbraw/zinc/84/32/44/568843244.db2.gz MQJSOYJLTDQQTB-UHFFFAOYSA-N -1 3 420.126 3.128 50 0 HGAAHM Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000012551103 568853043 /nfs/dbraw/zinc/85/30/43/568853043.db2.gz WNSIDAINQCLBFT-OAHLLOKOSA-N -1 3 405.495 3.040 50 0 HGAAHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1OC ZINC000003432797 568859405 /nfs/dbraw/zinc/85/94/05/568859405.db2.gz SELPILUBJUAHAO-UHFFFAOYSA-N -1 3 422.247 3.223 50 0 HGAAHM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012604640 568870870 /nfs/dbraw/zinc/87/08/70/568870870.db2.gz SWCXTFSFNDSZPU-UHFFFAOYSA-N -1 3 421.327 3.334 50 0 HGAAHM COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000003410981 568898163 /nfs/dbraw/zinc/89/81/63/568898163.db2.gz PCFOUJQRGWWNQX-UHFFFAOYSA-N -1 3 424.906 3.456 50 0 HGAAHM O=C(c1cccc(Br)c1)N1NC(C(F)(F)F)=C[C@@]1([O-])C(F)(F)F ZINC000004143241 568915967 /nfs/dbraw/zinc/91/59/67/568915967.db2.gz PRSXTZUCPXNACB-SNVBAGLBSA-N -1 3 405.092 3.464 50 0 HGAAHM C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012743716 568930152 /nfs/dbraw/zinc/93/01/52/568930152.db2.gz XISUZNQPSCVJFF-CYBMUJFWSA-N -1 3 403.429 3.348 50 0 HGAAHM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012764626 568947629 /nfs/dbraw/zinc/94/76/29/568947629.db2.gz WESLBIICXGVVAX-INIZCTEOSA-N -1 3 413.493 3.229 50 0 HGAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000012771569 568952087 /nfs/dbraw/zinc/95/20/87/568952087.db2.gz LRMLLNWQBWWKQQ-INIZCTEOSA-N -1 3 414.889 3.474 50 0 HGAAHM CCCN(CCC)C(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21 ZINC000015732553 568982543 /nfs/dbraw/zinc/98/25/43/568982543.db2.gz BNZFXHOISSOWDR-UHFFFAOYSA-N -1 3 419.938 3.479 50 0 HGAAHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1Cl ZINC000008264814 568985936 /nfs/dbraw/zinc/98/59/36/568985936.db2.gz NQQVFMIAWHUTKI-UHFFFAOYSA-N -1 3 409.920 3.130 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](c1csc2ccccc21)N(C)C ZINC000575621431 569039048 /nfs/dbraw/zinc/03/90/48/569039048.db2.gz OEDZZAKGIXBTCD-CQSZACIVSA-N -1 3 424.569 3.331 50 0 HGAAHM O=C(c1ccco1)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012984414 569047662 /nfs/dbraw/zinc/04/76/62/569047662.db2.gz RUBKVBBOKHJLIF-UHFFFAOYSA-N -1 3 403.287 3.170 50 0 HGAAHM Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cn1 ZINC000013096674 569060412 /nfs/dbraw/zinc/06/04/12/569060412.db2.gz UARYGMGCOBEHDC-UHFFFAOYSA-N -1 3 402.863 3.492 50 0 HGAAHM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000036066091 569085730 /nfs/dbraw/zinc/08/57/30/569085730.db2.gz AIFSJPIVKHAYBH-OAHLLOKOSA-N -1 3 420.922 3.387 50 0 HGAAHM CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc21 ZINC000064818906 569101747 /nfs/dbraw/zinc/10/17/47/569101747.db2.gz ONHFDHHEXUDCEQ-UHFFFAOYSA-N -1 3 424.862 3.002 50 0 HGAAHM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000064983788 569144655 /nfs/dbraw/zinc/14/46/55/569144655.db2.gz XYPCTLHRNHNXEP-UHFFFAOYSA-N -1 3 415.509 3.225 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1C ZINC000006915620 569182168 /nfs/dbraw/zinc/18/21/68/569182168.db2.gz QTOWUNFDARCNEJ-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]Cc3cccc(Cl)c3)cc2C1 ZINC000065196251 569194603 /nfs/dbraw/zinc/19/46/03/569194603.db2.gz GVCXWGCCQVIMLO-UHFFFAOYSA-N -1 3 410.948 3.175 50 0 HGAAHM CN(C)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006992443 569196428 /nfs/dbraw/zinc/19/64/28/569196428.db2.gz SVGBYZXYJHUQNM-UHFFFAOYSA-N -1 3 423.538 3.479 50 0 HGAAHM CC[C@@H](CC[N-]S(=O)(=O)c1cn(C(F)F)nc1C)n1ccc(C(F)(F)F)n1 ZINC000036615152 569206910 /nfs/dbraw/zinc/20/69/10/569206910.db2.gz LVGSHGRNRPZMJG-JTQLQIEISA-N -1 3 415.388 3.122 50 0 HGAAHM COc1ccc([C@H]2CC(c3ccccc3[O-])=NC3(CCN(C(C)=O)CC3)N2)cc1OC ZINC000065298571 569219407 /nfs/dbraw/zinc/21/94/07/569219407.db2.gz JOXGHOBYAUTJJL-LJQANCHMSA-N -1 3 423.513 3.272 50 0 biogenic HGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NC1CCCCCC1 ZINC000007095135 569219547 /nfs/dbraw/zinc/21/95/47/569219547.db2.gz GNTIDADUOWJVDK-CQSZACIVSA-N -1 3 411.531 3.428 50 0 HGAAHM Cn1ccc2cc([C@@H](O)C[N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000239611717 569235693 /nfs/dbraw/zinc/23/56/93/569235693.db2.gz FBPWALUZTVZWLY-ZDUSSCGKSA-N -1 3 415.334 3.014 50 0 HGAAHM Cc1ccccc1-n1nc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c2c1CCC2 ZINC000065582779 569236342 /nfs/dbraw/zinc/23/63/42/569236342.db2.gz NWXWEVZFSOIFAX-UHFFFAOYSA-N -1 3 410.499 3.293 50 0 HGAAHM Cc1ccccc1OCc1nc(SCC(=O)N2CCC(c3ccccc3)=N2)n[n-]1 ZINC000007537462 569247227 /nfs/dbraw/zinc/24/72/27/569247227.db2.gz DBBRMAKAXSUYMC-UHFFFAOYSA-N -1 3 407.499 3.421 50 0 HGAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 ZINC000004001774 569279475 /nfs/dbraw/zinc/27/94/75/569279475.db2.gz PJVJXWBVITZKRE-UHFFFAOYSA-N -1 3 400.456 3.084 50 0 HGAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2)C1=O)c1cccc(Cl)c1 ZINC000002195408 569294551 /nfs/dbraw/zinc/29/45/51/569294551.db2.gz YVAGVPJEVYRFLG-QGZVFWFLSA-N -1 3 411.767 3.285 50 0 HGAAHM Cn1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(-c2ccncc2)n1 ZINC000253429478 569368495 /nfs/dbraw/zinc/36/84/95/569368495.db2.gz NIZLNBDXPQNGAF-UHFFFAOYSA-N -1 3 417.510 3.310 50 0 HGAAHM CCCN1CCc2nc(SCC(=O)N(C)c3cccc(Cl)c3)[n-]c(=O)c2C1 ZINC000067291897 571068010 /nfs/dbraw/zinc/06/80/10/571068010.db2.gz KEIGOVJYTQSGEA-UHFFFAOYSA-N -1 3 406.939 3.359 50 0 HGAAHM Nc1c([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccncc1 ZINC000008726382 571108564 /nfs/dbraw/zinc/10/85/64/571108564.db2.gz QTGRNXRGLIJCPU-KRWDZBQOSA-N -1 3 405.405 3.317 50 0 HGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc4oc(=O)ccc4c3)cc2O1 ZINC000008764274 571114750 /nfs/dbraw/zinc/11/47/50/571114750.db2.gz UHIKYPZYSBGZTG-UHFFFAOYSA-N -1 3 409.394 3.260 50 0 biogenic HGAAHM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 ZINC000008861916 571128612 /nfs/dbraw/zinc/12/86/12/571128612.db2.gz PKQPXAKKMPEKAN-HLIPFELVSA-N -1 3 422.403 3.484 50 0 HGAAHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000069009323 571161041 /nfs/dbraw/zinc/16/10/41/571161041.db2.gz WHOUNWMNUMNJDI-UHFFFAOYSA-N -1 3 406.451 3.094 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)c3ccc(COc4ccccc4)o3)c2)NC(=O)[N-]C1=O ZINC000040110828 571169061 /nfs/dbraw/zinc/16/90/61/571169061.db2.gz RIWCVPIDUNTMIU-QFIPXVFZSA-N -1 3 405.410 3.166 50 0 HGAAHM COCc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc2c1OCOC2 ZINC000040150878 571199028 /nfs/dbraw/zinc/19/90/28/571199028.db2.gz OTVNIXJIEBJYCJ-UHFFFAOYSA-N -1 3 419.377 3.399 50 0 HGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)c(C)c1 ZINC000009173663 571234373 /nfs/dbraw/zinc/23/43/73/571234373.db2.gz FQFFKZJWCXYIDS-UHFFFAOYSA-N -1 3 417.487 3.111 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 ZINC000009217574 571237774 /nfs/dbraw/zinc/23/77/74/571237774.db2.gz GMXHHYIQIYIBAP-HNNXBMFYSA-N -1 3 405.303 3.206 50 0 HGAAHM CCOc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(C)=O ZINC000009260403 571243783 /nfs/dbraw/zinc/24/37/83/571243783.db2.gz VHQPIMOPQDPGSN-LJQANCHMSA-N -1 3 401.488 3.154 50 0 HGAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N(C)c1ccccc1 ZINC000009377665 571253238 /nfs/dbraw/zinc/25/32/38/571253238.db2.gz VKYWYAXXQYYMTR-AWEZNQCLSA-N -1 3 405.483 3.252 50 0 HGAAHM CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4[O-])nc3c2[C@@H]1c1ccco1 ZINC000009429484 571258185 /nfs/dbraw/zinc/25/81/85/571258185.db2.gz QRPDRZQNNCNGSU-QGZVFWFLSA-N -1 3 418.409 3.451 50 0 HGAAHM O=S(=O)([N-]C[C@@](O)(c1ccccc1)C1CC1)c1ccc(Br)s1 ZINC000070968295 571283498 /nfs/dbraw/zinc/28/34/98/571283498.db2.gz WGUMKQNIJJVMAK-OAHLLOKOSA-N -1 3 402.335 3.087 50 0 HGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000009748713 571284060 /nfs/dbraw/zinc/28/40/60/571284060.db2.gz UHXHWWWCMRIVKJ-KRWDZBQOSA-N -1 3 420.494 3.053 50 0 HGAAHM O=C(Cc1ccc2ccccc2c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000009853597 571288425 /nfs/dbraw/zinc/28/84/25/571288425.db2.gz YBWQETVUMRJHMH-UHFFFAOYSA-N -1 3 414.552 3.413 50 0 HGAAHM CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000010030532 571294183 /nfs/dbraw/zinc/29/41/83/571294183.db2.gz SGAXXHFERLZXMW-UHFFFAOYSA-N -1 3 402.501 3.403 50 0 HGAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3CC)c(C)c1 ZINC000010063728 571294730 /nfs/dbraw/zinc/29/47/30/571294730.db2.gz SETQKUKRSIFRAY-UHFFFAOYSA-N -1 3 401.488 3.053 50 0 HGAAHM Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000003885477 132269218 /nfs/dbraw/zinc/26/92/18/132269218.db2.gz DTKQHSUVSPYGCK-UHFFFAOYSA-N -1 3 402.303 3.213 50 0 HGAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000012180489 132355813 /nfs/dbraw/zinc/35/58/13/132355813.db2.gz WAGCQVSMJKYLLQ-UHFFFAOYSA-N -1 3 414.936 3.243 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000032768458 526555548 /nfs/dbraw/zinc/55/55/48/526555548.db2.gz OQIWYFWAFMNOKT-UKRRQHHQSA-N -1 3 407.536 3.034 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C ZINC000001139943 557203231 /nfs/dbraw/zinc/20/32/31/557203231.db2.gz VLMKQHHHDGWDGE-UHFFFAOYSA-N -1 3 403.241 3.409 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1 ZINC000002136633 557317584 /nfs/dbraw/zinc/31/75/84/557317584.db2.gz KTZOKBNSEILSJP-UHFFFAOYSA-N -1 3 421.544 3.355 50 0 HGAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)NC2CCCCC2)c(OC)c1)C(F)(F)F ZINC000002260514 557332224 /nfs/dbraw/zinc/33/22/24/557332224.db2.gz WSUHOHJEVYOWAI-KRWDZBQOSA-N -1 3 404.385 3.072 50 0 HGAAHM COc1ccc(CCNC(=O)Cc2c(C)c3ccc([O-])c(C)c3oc2=O)cc1OC ZINC000004084315 557511284 /nfs/dbraw/zinc/51/12/84/557511284.db2.gz KRTHPMQDKOHITR-UHFFFAOYSA-N -1 3 411.454 3.034 50 0 biogenic HGAAHM CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000004083948 557511293 /nfs/dbraw/zinc/51/12/93/557511293.db2.gz URQLQQGENCGBLP-AWEZNQCLSA-N -1 3 413.268 3.135 50 0 HGAAHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C(=O)OCCC(C)C)c1ccccc1 ZINC000004694401 557581963 /nfs/dbraw/zinc/58/19/63/557581963.db2.gz ZVLUCFTVMHZXMH-LJQANCHMSA-N -1 3 409.479 3.443 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000004833747 557604479 /nfs/dbraw/zinc/60/44/79/557604479.db2.gz LECMBOBJABEQBY-TXPKVOOTSA-N -1 3 408.376 3.108 50 0 HGAAHM COc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)C(C)C ZINC000008774881 557807168 /nfs/dbraw/zinc/80/71/68/557807168.db2.gz BVXORKOEHOGJNG-LJQANCHMSA-N -1 3 415.515 3.400 50 0 HGAAHM O=S(=O)([N-]CCc1csc2nc(-c3ccccc3)nn12)c1ccccc1F ZINC000004479867 558602380 /nfs/dbraw/zinc/60/23/80/558602380.db2.gz KPNQAOKJHDYXAG-UHFFFAOYSA-N -1 3 402.476 3.118 50 0 HGAAHM CCOc1ccc(-c2nnc([N-]C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)o2)cc1 ZINC000024769450 558611887 /nfs/dbraw/zinc/61/18/87/558611887.db2.gz XEDHBXLRCXGUQH-UHFFFAOYSA-N -1 3 417.425 3.044 50 0 HGAAHM CN1CCN(c2ccc(Br)cc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000072270843 558673543 /nfs/dbraw/zinc/67/35/43/558673543.db2.gz NOSZAOUMRXTWDN-UHFFFAOYSA-N -1 3 410.337 3.002 50 0 HGAAHM COc1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc(Cl)c1[O-] ZINC000015076019 558716576 /nfs/dbraw/zinc/71/65/76/558716576.db2.gz ZICSRKVKEQBJPE-KRWDZBQOSA-N -1 3 410.942 3.342 50 0 HGAAHM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000015869504 558760190 /nfs/dbraw/zinc/76/01/90/558760190.db2.gz SFEHOFCVVVTJCY-OAHLLOKOSA-N -1 3 402.516 3.442 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1 ZINC000033274521 558764070 /nfs/dbraw/zinc/76/40/70/558764070.db2.gz DFTIULYHEUKBKO-UHFFFAOYSA-N -1 3 402.516 3.442 50 0 HGAAHM C[C@@H]1CO[P@@](=O)([C@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000034132091 558773038 /nfs/dbraw/zinc/77/30/38/558773038.db2.gz BNAILMRPGCYYNP-FBMBQALPSA-N -1 3 408.627 3.290 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccccc2C)[n-]c3=O)cc1 ZINC000010612790 558791418 /nfs/dbraw/zinc/79/14/18/558791418.db2.gz MFNFBTCGGBIHJO-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000016576767 558796173 /nfs/dbraw/zinc/79/61/73/558796173.db2.gz XNKHPPSPVVYPBL-UHFFFAOYSA-N -1 3 415.515 3.327 50 0 HGAAHM O=C(COc1ccc(Br)cc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000033027846 558851294 /nfs/dbraw/zinc/85/12/94/558851294.db2.gz SPULSCVQQSOICN-SWLSCSKDSA-N -1 3 421.213 3.467 50 0 HGAAHM CN(C)C(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)cc1 ZINC000033114350 558876303 /nfs/dbraw/zinc/87/63/03/558876303.db2.gz DHLBSEQCIGUKAV-UHFFFAOYSA-N -1 3 418.425 3.349 50 0 HGAAHM CC[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)n1cc(C(C)=O)c2ccccc21 ZINC000067604420 558988607 /nfs/dbraw/zinc/98/86/07/558988607.db2.gz DFANUXGNQOKNPR-LJQANCHMSA-N -1 3 402.458 3.292 50 0 HGAAHM CC[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)n1cc(C(C)=O)c2ccccc21 ZINC000067604420 558988608 /nfs/dbraw/zinc/98/86/08/558988608.db2.gz DFANUXGNQOKNPR-LJQANCHMSA-N -1 3 402.458 3.292 50 0 HGAAHM CNC(=O)N([O-])[C@@H]1N(NC(=O)Nc2cccc3ccccc32)C(=S)SC1(C)C ZINC000004732490 559033279 /nfs/dbraw/zinc/03/32/79/559033279.db2.gz UZCGTEYJNIWDGR-AWEZNQCLSA-N -1 3 419.532 3.345 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 ZINC000033276343 559036084 /nfs/dbraw/zinc/03/60/84/559036084.db2.gz HLNRGBZNWGKCIB-OAHLLOKOSA-N -1 3 412.471 3.019 50 0 HGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCCc1ccccc1 ZINC000004742092 559044565 /nfs/dbraw/zinc/04/45/65/559044565.db2.gz GLTCYPFGWJJHPG-UHFFFAOYSA-N -1 3 410.495 3.225 50 0 HGAAHM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccc(C)cc3)cc2s1 ZINC000033298932 559048328 /nfs/dbraw/zinc/04/83/28/559048328.db2.gz PHKOZCXFEWFYLQ-UHFFFAOYSA-N -1 3 410.542 3.340 50 0 HGAAHM COc1cccc(CN2C(=O)N(C(C)C)[C@@H](N([O-])C(=O)NC(C)C)C2(C)C)c1OC ZINC000004811366 559069188 /nfs/dbraw/zinc/06/91/88/559069188.db2.gz SVMDYBIOWDRWOZ-SFHVURJKSA-N -1 3 422.526 3.264 50 0 HGAAHM O=C(NCCc1cccnc1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091563135 559072095 /nfs/dbraw/zinc/07/20/95/559072095.db2.gz DHAVHFYMYHXFAN-UHFFFAOYSA-N -1 3 403.269 3.035 50 0 HGAAHM O=C(CCn1ccc2ccccc21)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011452113 559077058 /nfs/dbraw/zinc/07/70/58/559077058.db2.gz MZFDPJIKBCKFDI-UHFFFAOYSA-N -1 3 417.556 3.062 50 0 HGAAHM COCCN(Cc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[n-]1)C(=O)NC(C)(C)C ZINC000096317981 559109759 /nfs/dbraw/zinc/10/97/59/559109759.db2.gz ZOTOEFLSFMAVCT-UHFFFAOYSA-N -1 3 420.941 3.279 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004863240 559193316 /nfs/dbraw/zinc/19/33/16/559193316.db2.gz KJWYRZHDCVSPKG-RDJZCZTQSA-N -1 3 402.237 3.317 50 0 HGAAHM C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)C1 ZINC000004874178 559195008 /nfs/dbraw/zinc/19/50/08/559195008.db2.gz AAXBSSVTJANDHI-JFIYKMOQSA-N -1 3 406.573 3.142 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C)c(F)c1 ZINC000004909123 559201297 /nfs/dbraw/zinc/20/12/97/559201297.db2.gz VHUMIWXUSNTLLV-CQSZACIVSA-N -1 3 402.538 3.234 50 0 HGAAHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1OC ZINC000004943834 559214468 /nfs/dbraw/zinc/21/44/68/559214468.db2.gz CRHZGUJYCURXMO-UHFFFAOYSA-N -1 3 417.487 3.158 50 0 HGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(CCO)C3=O)cc1Cl ZINC000005343120 560568135 /nfs/dbraw/zinc/56/81/35/560568135.db2.gz MGRVJBUBUGWGDF-LJQANCHMSA-N -1 3 401.825 3.421 50 0 HGAAHM O=S(=O)([N-]CC[C@@H](CCO)c1ccccc1)c1ccc(Br)s1 ZINC000206628102 560606044 /nfs/dbraw/zinc/60/60/44/560606044.db2.gz CUUBQXVLQDLFDX-ZDUSSCGKSA-N -1 3 404.351 3.345 50 0 HGAAHM COc1ccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)cc1 ZINC000101795940 560801477 /nfs/dbraw/zinc/80/14/77/560801477.db2.gz GJOSVKQBSYJVEF-UHFFFAOYSA-N -1 3 410.865 3.304 50 0 HGAAHM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)[C@@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1 ZINC000013115516 560884764 /nfs/dbraw/zinc/88/47/64/560884764.db2.gz PKQPXAKKMPEKAN-SQGPQFPESA-N -1 3 422.403 3.484 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1CC)CC(=O)N2 ZINC000046074229 568426755 /nfs/dbraw/zinc/42/67/55/568426755.db2.gz ZKYXBFBKNCGAOX-ZDUSSCGKSA-N -1 3 400.504 3.289 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074282 568426801 /nfs/dbraw/zinc/42/68/01/568426801.db2.gz CQTGDJWNGBSYOH-INIZCTEOSA-N -1 3 420.494 3.169 50 0 HGAAHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074532 568426966 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/nfs/dbraw/zinc/61/44/74/521614474.db2.gz USVMKNAUNFTPQP-UHFFFAOYSA-N -1 3 421.457 3.320 50 0 HGAAHM CCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000032096284 521690347 /nfs/dbraw/zinc/69/03/47/521690347.db2.gz HIPPLIFOQXPMBC-OAQYLSRUSA-N -1 3 406.486 3.183 50 0 HGAAHM CCOC(=O)Cn1c2ccccc2nc1-c1nonc1[N-]C(=O)c1ccccc1F ZINC000000716962 557068386 /nfs/dbraw/zinc/06/83/86/557068386.db2.gz IEPWZZCIRVBASB-UHFFFAOYSA-N -1 3 409.377 3.041 50 0 HGAAHM CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000001060174 557163419 /nfs/dbraw/zinc/16/34/19/557163419.db2.gz LHCZJURZWCADTN-XLKFXECMSA-N -1 3 413.268 3.133 50 0 HGAAHM COC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CCCC2 ZINC000001079024 557174993 /nfs/dbraw/zinc/17/49/93/557174993.db2.gz RWTNKKHVGDPXMX-UHFFFAOYSA-N -1 3 408.501 3.037 50 0 HGAAHM O=C(CSc1ncc(-c2ccccc2)nn1)[N-]C1=NN=C(c2ccccc2)CS1 ZINC000001117030 557187734 /nfs/dbraw/zinc/18/77/34/557187734.db2.gz PFZZCUKPGKSXKL-UHFFFAOYSA-N -1 3 420.523 3.254 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000001153694 557212516 /nfs/dbraw/zinc/21/25/16/557212516.db2.gz LECMBOBJABEQBY-BXWFABGCSA-N -1 3 408.376 3.108 50 0 HGAAHM Cc1ccc(NC(=S)NC(=O)c2cccc(I)c2)c([O-])c1 ZINC000001179528 557229630 /nfs/dbraw/zinc/22/96/30/557229630.db2.gz YSHLPNUOYZGQDT-UHFFFAOYSA-N -1 3 412.252 3.432 50 0 HGAAHM CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002473871 557351086 /nfs/dbraw/zinc/35/10/86/557351086.db2.gz GPUZINVUWZFUSE-OAHLLOKOSA-N -1 3 414.911 3.321 50 0 HGAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(C2CCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC000002886577 557422428 /nfs/dbraw/zinc/42/24/28/557422428.db2.gz MFHSANCTLSPYLR-OAHLLOKOSA-N -1 3 424.206 3.476 50 0 HGAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccc(F)c1 ZINC000034739312 557451113 /nfs/dbraw/zinc/45/11/13/557451113.db2.gz HZENMXNYUKHOBR-IAGOWNOFSA-N -1 3 418.412 3.251 50 0 HGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N)c2)cc1Br ZINC000003885675 557502571 /nfs/dbraw/zinc/50/25/71/557502571.db2.gz SMHXXZNWOSBTPP-UHFFFAOYSA-N -1 3 401.282 3.239 50 0 HGAAHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000004742224 557591159 /nfs/dbraw/zinc/59/11/59/557591159.db2.gz HQHDUVBJKJJGJV-UHFFFAOYSA-N -1 3 408.545 3.240 50 0 HGAAHM O=C1N2CCSC2=N[C@]1([N-]c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000019858341 558296952 /nfs/dbraw/zinc/29/69/52/558296952.db2.gz JYXYJAQFUNNXJL-JTQLQIEISA-N -1 3 404.723 3.369 50 0 HGAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2Cl)C1=O)c1cccs1 ZINC000012408991 558399579 /nfs/dbraw/zinc/39/95/79/558399579.db2.gz VHHHGYPISUVWLU-HNNXBMFYSA-N -1 3 417.796 3.142 50 0 HGAAHM COc1cccc(CN2CCN(Cc3cc(Cl)c([O-])c(OC)c3)C[C@@H]2CCO)c1 ZINC000020773933 558411501 /nfs/dbraw/zinc/41/15/01/558411501.db2.gz ATLMWHOQTSNIKE-SFHVURJKSA-N -1 3 420.937 3.132 50 0 HGAAHM CC(C)Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[n-]c(=O)n1 ZINC000012612409 558438732 /nfs/dbraw/zinc/43/87/32/558438732.db2.gz UAMCZVYTFOXKEW-QGZVFWFLSA-N -1 3 402.926 3.016 50 0 HGAAHM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)OCC(=O)[N-]c1cc(C)no1 ZINC000012988341 558496033 /nfs/dbraw/zinc/49/60/33/558496033.db2.gz DRFITTDCPUXSGB-UHFFFAOYSA-N -1 3 405.414 3.210 50 0 HGAAHM CCCN(Cc1ccccc1)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000024443396 558597592 /nfs/dbraw/zinc/59/75/92/558597592.db2.gz ZOKMDSVJVVPLAV-UHFFFAOYSA-N -1 3 420.513 3.425 50 0 HGAAHM O=C(COc1ccc2cc(Br)ccc2c1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000013960179 558608380 /nfs/dbraw/zinc/60/83/80/558608380.db2.gz RBYVEPYFHDEVSW-HNNXBMFYSA-N -1 3 417.181 3.450 50 0 HGAAHM CCOC([O-])=NC(=O)CSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(F)cc1 ZINC000013986728 558610602 /nfs/dbraw/zinc/61/06/02/558610602.db2.gz VOJNGXHFGIIWIV-UHFFFAOYSA-N -1 3 421.475 3.464 50 0 HGAAHM CCOC(=O)[N-]C(=O)CSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(F)cc1 ZINC000013986728 558610605 /nfs/dbraw/zinc/61/06/05/558610605.db2.gz VOJNGXHFGIIWIV-UHFFFAOYSA-N -1 3 421.475 3.464 50 0 HGAAHM CCN1CCC[C@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000004598962 558834858 /nfs/dbraw/zinc/83/48/58/558834858.db2.gz YBDRFGGSSAHIEP-INIZCTEOSA-N -1 3 402.564 3.220 50 0 HGAAHM CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000033029143 558852258 /nfs/dbraw/zinc/85/22/58/558852258.db2.gz BEZXBCWQFGPGDL-LJQANCHMSA-N -1 3 421.494 3.034 50 0 HGAAHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCOCC2)cc1 ZINC000023107993 559010681 /nfs/dbraw/zinc/01/06/81/559010681.db2.gz NFDROIHTBTVRFQ-HNNXBMFYSA-N -1 3 400.953 3.062 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccc(OC)c(OC)c3)n2)cc1 ZINC000033276350 559036107 /nfs/dbraw/zinc/03/61/07/559036107.db2.gz GGIZNLXQDMNFNC-UHFFFAOYSA-N -1 3 403.460 3.106 50 0 HGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2C)c(C)c1 ZINC000005075782 559240858 /nfs/dbraw/zinc/24/08/58/559240858.db2.gz IRYJXOMVVVMJHH-UHFFFAOYSA-N -1 3 408.545 3.261 50 0 HGAAHM COc1ccccc1NCc1cc(=O)n2nc(NCc3ccccc3Cl)[n-]c2n1 ZINC000101796211 560801512 /nfs/dbraw/zinc/80/15/12/560801512.db2.gz QAGUMSWFITYILP-UHFFFAOYSA-N -1 3 410.865 3.304 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)c1OC ZINC000102559218 560818022 /nfs/dbraw/zinc/81/80/22/560818022.db2.gz JBSCRCHHRYVXCR-YOEHRIQHSA-N -1 3 421.236 3.303 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000085737254 560868785 /nfs/dbraw/zinc/86/87/85/560868785.db2.gz OFPIWSPXTFGADG-CYBMUJFWSA-N -1 3 400.504 3.343 50 0 HGAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000047032805 560879901 /nfs/dbraw/zinc/87/99/01/560879901.db2.gz PONZQJLXKHCDRY-LBPRGKRZSA-N -1 3 407.330 3.231 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000047383950 560886485 /nfs/dbraw/zinc/88/64/85/560886485.db2.gz YAVYJKFEEDYAKB-QHCPKHFHSA-N -1 3 400.438 3.419 50 0 HGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1-c1nc(C)no1 ZINC000046020110 568423883 /nfs/dbraw/zinc/42/38/83/568423883.db2.gz PPIOTYGLYOTSFE-UHFFFAOYSA-N -1 3 416.459 3.203 50 0 HGAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074524 568426932 /nfs/dbraw/zinc/42/69/32/568426932.db2.gz XUVKFGXQJCVXKB-OAHLLOKOSA-N -1 3 406.467 3.127 50 0 HGAAHM Cc1cc(C)nc([N-]c2nc(CC(=O)N3CCN(C4CCCCC4)CC3)cs2)n1 ZINC000049029503 568445698 /nfs/dbraw/zinc/44/56/98/568445698.db2.gz WHAWVEMUYKPYSR-UHFFFAOYSA-N -1 3 414.579 3.313 50 0 HGAAHM O=C(CN1CCc2[n-]c3c(F)ccc(F)c3c(=O)c2C1)Nc1ccccc1Cl ZINC000049003230 568446274 /nfs/dbraw/zinc/44/62/74/568446274.db2.gz BTMAHTVHTAFVKU-UHFFFAOYSA-N -1 3 403.816 3.457 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(Cl)cc1 ZINC000020154290 568590891 /nfs/dbraw/zinc/59/08/91/568590891.db2.gz UXEOAHVSTMQGJI-AWEZNQCLSA-N -1 3 418.993 3.118 50 0 HGAAHM COC(=O)c1cc([N-]C(=O)c2noc3c2COc2ccc(C)cc2-3)cc(C(=O)OC)c1 ZINC000020509966 568620880 /nfs/dbraw/zinc/62/08/80/568620880.db2.gz HPXYDKXDVYWJHL-UHFFFAOYSA-N -1 3 422.393 3.368 50 0 HGAAHM CN(Cc1c(F)cccc1Cl)S(=O)(=O)[N-]Cc1noc(-c2cccs2)n1 ZINC000225520715 568646454 /nfs/dbraw/zinc/64/64/54/568646454.db2.gz MNTGTILRDXYEDK-UHFFFAOYSA-N -1 3 416.887 3.057 50 0 HGAAHM CC(C)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998968 568680357 /nfs/dbraw/zinc/68/03/57/568680357.db2.gz APNBOFMPWAPTON-HNNXBMFYSA-N -1 3 405.524 3.316 50 0 HGAAHM CC(C)c1ccc(NC(=O)N2CCC[C@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998968 568680358 /nfs/dbraw/zinc/68/03/58/568680358.db2.gz APNBOFMPWAPTON-HNNXBMFYSA-N -1 3 405.524 3.316 50 0 HGAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(Br)s2)o1 ZINC000096115934 568695463 /nfs/dbraw/zinc/69/54/63/568695463.db2.gz SMSXHSZQSRKHJG-SECBINFHSA-N -1 3 403.250 3.011 50 0 biogenic HGAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccc(Br)cc3)c2)no1 ZINC000021701982 568741604 /nfs/dbraw/zinc/74/16/04/568741604.db2.gz CTHHYCHBDBWMNG-UHFFFAOYSA-N -1 3 414.306 3.348 50 0 HGAAHM C[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000015043765 568748447 /nfs/dbraw/zinc/74/84/47/568748447.db2.gz YHUZNBCTZHINTR-CVEARBPZSA-N -1 3 413.493 3.448 50 0 HGAAHM CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000058009292 568875119 /nfs/dbraw/zinc/87/51/19/568875119.db2.gz FYNARLTVVRNWHN-UHFFFAOYSA-N -1 3 417.531 3.026 50 0 HGAAHM O=C([N-]c1nnc(-c2ccccc2)o1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000003314293 568879032 /nfs/dbraw/zinc/87/90/32/568879032.db2.gz NYSOTZMYJRXGII-UHFFFAOYSA-N -1 3 401.426 3.425 50 0 HGAAHM Cc1noc(C)c1COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003364570 568888722 /nfs/dbraw/zinc/88/87/22/568888722.db2.gz BUHTUQPZZSKQOG-VIFPVBQESA-N -1 3 407.275 3.008 50 0 HGAAHM O=c1c([C@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c(=S)n1Cc1ccc(F)cc1 ZINC000001318991 568914084 /nfs/dbraw/zinc/91/40/84/568914084.db2.gz ZJHUDWNYBZVQFU-LJQANCHMSA-N -1 3 422.485 3.141 50 0 biogenic HGAAHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1F ZINC000012736478 568925491 /nfs/dbraw/zinc/92/54/91/568925491.db2.gz RRUPKPDPPMIMQQ-UHFFFAOYSA-N -1 3 403.435 3.424 50 0 HGAAHM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012743719 568930157 /nfs/dbraw/zinc/93/01/57/568930157.db2.gz XISUZNQPSCVJFF-ZDUSSCGKSA-N -1 3 403.429 3.348 50 0 HGAAHM COc1ccc([C@@H]2CCCCCN2C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1 ZINC000012749699 568937553 /nfs/dbraw/zinc/93/75/53/568937553.db2.gz HVASXDJDQHSALK-NRFANRHFSA-N -1 3 421.497 3.232 50 0 HGAAHM CCOc1cc(C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)cc(OCC)c1OCC ZINC000004124139 568945165 /nfs/dbraw/zinc/94/51/65/568945165.db2.gz TVVMKXCMHCFBPE-KRWDZBQOSA-N -1 3 404.385 3.355 50 0 HGAAHM O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1[n-]nc(C2CC2)c1Cl ZINC000084380059 568948392 /nfs/dbraw/zinc/94/83/92/568948392.db2.gz LDKSCZHITHDFMB-UHFFFAOYSA-N -1 3 420.878 3.264 50 0 HGAAHM C[C@@]1(c2cccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2)NC(=O)[N-]C1=O ZINC000084668186 568955302 /nfs/dbraw/zinc/95/53/02/568955302.db2.gz NPSUSFMSLVJMBE-QFIPXVFZSA-N -1 3 422.872 3.074 50 0 HGAAHM COC(=O)c1c2c(sc1[N-]C(=O)c1nc3ccccc3s1)CN(C(C)=O)CC2 ZINC000004275155 568958061 /nfs/dbraw/zinc/95/80/61/568958061.db2.gz VFPONPAEUBTKFX-UHFFFAOYSA-N -1 3 415.496 3.301 50 0 HGAAHM O=c1nc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)[n-]c2sc3c(c21)CCC3 ZINC000007985889 568964582 /nfs/dbraw/zinc/96/45/82/568964582.db2.gz RKXDLHDVNVMROX-UHFFFAOYSA-N -1 3 401.797 3.356 50 0 HGAAHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000063691264 569003445 /nfs/dbraw/zinc/00/34/45/569003445.db2.gz QFCQORXTVMTAEE-UHFFFAOYSA-N -1 3 412.536 3.496 50 0 HGAAHM CCCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000015862879 569016057 /nfs/dbraw/zinc/01/60/57/569016057.db2.gz SQWOFDFILGPWTD-UHFFFAOYSA-N -1 3 416.484 3.420 50 0 HGAAHM COc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000001803637 569053452 /nfs/dbraw/zinc/05/34/52/569053452.db2.gz OQHIGQNYZKAIPR-ZBFHGGJFSA-N -1 3 417.259 3.333 50 0 biogenic HGAAHM CC[C@H]1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000006529845 569063454 /nfs/dbraw/zinc/06/34/54/569063454.db2.gz FKYWOIWVTQIBQX-HNNXBMFYSA-N -1 3 411.531 3.300 50 0 HGAAHM O=S(=O)([N-]Cc1cccnc1)c1cc(-c2nnc(-c3ccccc3)o2)ccc1F ZINC000064988143 569145616 /nfs/dbraw/zinc/14/56/16/569145616.db2.gz JTUURRVEPHQURL-UHFFFAOYSA-N -1 3 410.430 3.416 50 0 HGAAHM O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000006921124 569182511 /nfs/dbraw/zinc/18/25/11/569182511.db2.gz JIYCWXXZORTZQZ-UHFFFAOYSA-N -1 3 410.373 3.428 50 0 HGAAHM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc(F)cc3)cc2C1 ZINC000065196283 569194542 /nfs/dbraw/zinc/19/45/42/569194542.db2.gz WOBHNWLKOIKZTM-UHFFFAOYSA-N -1 3 408.520 3.051 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCN1CCO[C@H](c2ccccc2)C1 ZINC000036700329 569222873 /nfs/dbraw/zinc/22/28/73/569222873.db2.gz KCPQEHMMCRCHMB-IBGZPJMESA-N -1 3 424.950 3.091 50 0 HGAAHM CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000007200360 569228399 /nfs/dbraw/zinc/22/83/99/569228399.db2.gz HGDDYCQUWXGKGV-UHFFFAOYSA-N -1 3 404.850 3.323 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccc3c(c2)OCCO3)c(Cl)cc1Cl ZINC000240068005 569239934 /nfs/dbraw/zinc/23/99/34/569239934.db2.gz SHCGYFFNWCOESO-CQSZACIVSA-N -1 3 418.298 3.085 50 0 HGAAHM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000170621662 569248436 /nfs/dbraw/zinc/24/84/36/569248436.db2.gz ZXPMUUOORBHNJZ-UHFFFAOYSA-N -1 3 421.356 3.373 50 0 HGAAHM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)O[C@@H](C)C2 ZINC000170621850 569248550 /nfs/dbraw/zinc/24/85/50/569248550.db2.gz IWFOJEBLMZXONO-JTQLQIEISA-N -1 3 401.406 3.305 50 0 HGAAHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000170630140 569250617 /nfs/dbraw/zinc/25/06/17/569250617.db2.gz PYCZFZNRKKJPOK-GFCCVEGCSA-N -1 3 424.341 3.340 50 0 HGAAHM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCN(Cc3ccccc3)CC1)c2=O ZINC000016942310 569267960 /nfs/dbraw/zinc/26/79/60/569267960.db2.gz XEUIINLNVWEODT-UHFFFAOYSA-N -1 3 409.511 3.309 50 0 HGAAHM CCN1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)CC1 ZINC000007776958 569308457 /nfs/dbraw/zinc/30/84/57/569308457.db2.gz QOOCAFCIMNRIJZ-UHFFFAOYSA-N -1 3 415.559 3.318 50 0 HGAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)c2cccc(F)c2)c(OC)c1)C(F)(F)F ZINC000002275918 569327869 /nfs/dbraw/zinc/32/78/69/569327869.db2.gz XGHOUHREUBHFCJ-QGZVFWFLSA-N -1 3 401.312 3.010 50 0 HGAAHM O=C([N-]c1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000002456991 569412328 /nfs/dbraw/zinc/41/23/28/569412328.db2.gz HIJRXVCKOPPSKV-UHFFFAOYSA-N -1 3 424.482 3.341 50 0 HGAAHM C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000008490319 571056421 /nfs/dbraw/zinc/05/64/21/571056421.db2.gz MMNGDRADRMAUFO-AWEZNQCLSA-N -1 3 417.494 3.179 50 0 HGAAHM Nc1c([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1cccnc1 ZINC000008726393 571108519 /nfs/dbraw/zinc/10/85/19/571108519.db2.gz IFQGGRKSAOOEDW-QGZVFWFLSA-N -1 3 405.405 3.317 50 0 HGAAHM CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008850246 571126829 /nfs/dbraw/zinc/12/68/29/571126829.db2.gz MNOBINFIEQNTOH-ZDUSSCGKSA-N -1 3 416.528 3.314 50 0 HGAAHM O=C1C[C@@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(F)cc1 ZINC000009036473 571213506 /nfs/dbraw/zinc/21/35/06/571213506.db2.gz IWDQXBWIGBPGAP-LBPRGKRZSA-N -1 3 416.396 3.176 50 0 HGAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCCc1ccccc1 ZINC000009041969 571214985 /nfs/dbraw/zinc/21/49/85/571214985.db2.gz LIYGFXZLJLKJJR-KRWDZBQOSA-N -1 3 405.454 3.183 50 0 HGAAHM CCOc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(C)=O)cc1 ZINC000009517132 571265206 /nfs/dbraw/zinc/26/52/06/571265206.db2.gz SVHPACCMGGNMOD-HXUWFJFHSA-N -1 3 401.488 3.154 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2C)cc1 ZINC000009526068 571265805 /nfs/dbraw/zinc/26/58/05/571265805.db2.gz MTNPNHCKLNUUBA-UHFFFAOYSA-N -1 3 412.515 3.121 50 0 HGAAHM O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009605711 571273159 /nfs/dbraw/zinc/27/31/59/571273159.db2.gz LDIWAEYIYQBIPZ-UHFFFAOYSA-N -1 3 417.918 3.235 50 0 HGAAHM CC(C)COc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000009853611 571288433 /nfs/dbraw/zinc/28/84/33/571288433.db2.gz HRDKCGMWTFOKMQ-UHFFFAOYSA-N -1 3 422.572 3.366 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000054032031 571309855 /nfs/dbraw/zinc/30/98/55/571309855.db2.gz GBCWHBDZRBCSIH-UHFFFAOYSA-N -1 3 406.467 3.649 50 0 HGAAHM CCOc1ccccc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(CO)cc32)CC1 ZINC000032102646 521518482 /nfs/dbraw/zinc/51/84/82/521518482.db2.gz LJEASBIVNATJRK-QFIPXVFZSA-N -1 3 409.486 3.007 50 0 HGAAHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccccc1 ZINC000040387950 522711572 /nfs/dbraw/zinc/71/15/72/522711572.db2.gz SLXLCIKMJVLRGS-UHFFFAOYSA-N -1 3 410.437 3.053 50 0 HGAAHM Cc1cc([O-])c2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000020566995 525325548 /nfs/dbraw/zinc/32/55/48/525325548.db2.gz XZNJGTPFKKFCOA-UHFFFAOYSA-N -1 3 420.509 3.439 50 0 HGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(I)cc2)cc1 ZINC000000642698 557033423 /nfs/dbraw/zinc/03/34/23/557033423.db2.gz UXSIFVLLXZHYEJ-UHFFFAOYSA-N -1 3 403.241 3.491 50 0 HGAAHM CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000000729385 557074429 /nfs/dbraw/zinc/07/44/29/557074429.db2.gz UFLPIEPPBSOXHK-SUMWQHHRSA-N -1 3 424.881 3.137 50 0 HGAAHM O=S(=O)([N-]Cc1cc(F)cc2c1OCOC2)c1ccc(-c2ccccn2)s1 ZINC000001032469 557147848 /nfs/dbraw/zinc/14/78/48/557147848.db2.gz KYSONBZZXCEAGD-UHFFFAOYSA-N -1 3 406.460 3.294 50 0 HGAAHM COC(=O)c1cc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)cc(C(=O)OC)c1 ZINC000002773502 557384398 /nfs/dbraw/zinc/38/43/98/557384398.db2.gz ZXZHEOQKBGLSEO-UHFFFAOYSA-N -1 3 403.259 3.208 50 0 HGAAHM CCOc1cc([C@@H]2NC(=O)N(CC)C(C)=C2C(=O)OC)cc(Br)c1[O-] ZINC000002868541 557413860 /nfs/dbraw/zinc/41/38/60/557413860.db2.gz IFUKTEYUPRKVKY-AWEZNQCLSA-N -1 3 413.268 3.087 50 0 HGAAHM Cc1cc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000010552644 557528663 /nfs/dbraw/zinc/52/86/63/557528663.db2.gz HYPOGXFUMXRBGI-LBPRGKRZSA-N -1 3 418.412 3.136 50 0 HGAAHM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000004742369 557591188 /nfs/dbraw/zinc/59/11/88/557591188.db2.gz XYFGEOOBCCXIQP-MRXNPFEDSA-N -1 3 408.545 3.049 50 0 HGAAHM O=P1([C@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)OCCCO1 ZINC000004947668 557616103 /nfs/dbraw/zinc/61/61/03/557616103.db2.gz VNULNRRLUSHEDR-JTQLQIEISA-N -1 3 408.627 3.291 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)NC1CCCCC1 ZINC000002717980 557750819 /nfs/dbraw/zinc/75/08/19/557750819.db2.gz OKIBEBRXKWRHEJ-UHFFFAOYSA-N -1 3 401.467 3.201 50 0 HGAAHM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853640 557840322 /nfs/dbraw/zinc/84/03/22/557840322.db2.gz WLCZUHHYLKPPGS-QGZVFWFLSA-N -1 3 414.531 3.342 50 0 HGAAHM COc1ccc([C@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4CCC(C)C)c3C2)cc1 ZINC000019821191 558290635 /nfs/dbraw/zinc/29/06/35/558290635.db2.gz ASNWJUMTAREOQB-OAHLLOKOSA-N -1 3 407.470 3.052 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1csc(-c2ccncc2)n1 ZINC000019942584 558314226 /nfs/dbraw/zinc/31/42/26/558314226.db2.gz XPWVBQPLGUGDOZ-UHFFFAOYSA-N -1 3 409.920 3.388 50 0 HGAAHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000013495244 558534813 /nfs/dbraw/zinc/53/48/13/558534813.db2.gz NANXIIDZKLUFLP-UHFFFAOYSA-N -1 3 408.277 3.286 50 0 HGAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000026046025 558654276 /nfs/dbraw/zinc/65/42/76/558654276.db2.gz BGBKULQUGCBRAP-UHFFFAOYSA-N -1 3 417.907 3.498 50 0 HGAAHM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033274624 558764400 /nfs/dbraw/zinc/76/44/00/558764400.db2.gz IGKXJIIDOXBDFF-UHFFFAOYSA-N -1 3 416.543 3.405 50 0 HGAAHM C[C@H](NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc2ccccc21 ZINC000072311920 558797961 /nfs/dbraw/zinc/79/79/61/558797961.db2.gz FOFOHLUNOQLBEY-SFHVURJKSA-N -1 3 417.509 3.181 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000016954227 558809842 /nfs/dbraw/zinc/80/98/42/558809842.db2.gz SMWKHNSEYCYCHV-UHFFFAOYSA-N -1 3 422.462 3.292 50 0 HGAAHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000017088073 558816829 /nfs/dbraw/zinc/81/68/29/558816829.db2.gz TVICNTHBWZLYNK-MRXNPFEDSA-N -1 3 408.545 3.192 50 0 HGAAHM O=C(c1ccn(COc2ccc(Cl)cc2Cl)n1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000017093436 558821986 /nfs/dbraw/zinc/82/19/86/558821986.db2.gz HFVRXASQUPSUGQ-AWEZNQCLSA-N -1 3 423.178 3.309 50 0 HGAAHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000058297737 558917299 /nfs/dbraw/zinc/91/72/99/558917299.db2.gz FFOMSTORZLQPOZ-UHFFFAOYSA-N -1 3 422.510 3.275 50 0 HGAAHM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)CCc3ccccc3)cc2s1 ZINC000033298939 559048268 /nfs/dbraw/zinc/04/82/68/559048268.db2.gz NLCFTQVJXHIYMX-UHFFFAOYSA-N -1 3 410.542 3.074 50 0 HGAAHM Cc1ccc(N2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)[N-]C2=S)cc1 ZINC000101117719 559143405 /nfs/dbraw/zinc/14/34/05/559143405.db2.gz AXWCSAMUEVHKCL-PFONDFGASA-N -1 3 414.284 3.342 50 0 HGAAHM CCOc1ccc2nc(N3C(=O)C(=C4C(=O)Nc5ccccc54)[N-]C3=S)sc2c1 ZINC000100122294 559157280 /nfs/dbraw/zinc/15/72/80/559157280.db2.gz FPBIBWPGOKPLOF-FOCLMDBBSA-N -1 3 422.491 3.280 50 0 HGAAHM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cn1 ZINC000005062384 559239539 /nfs/dbraw/zinc/23/95/39/559239539.db2.gz SCBNLCTUEXGEIT-UHFFFAOYSA-N -1 3 401.419 3.282 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100741299 559261268 /nfs/dbraw/zinc/26/12/68/559261268.db2.gz KJWYRZHDCVSPKG-NVXWUHKLSA-N -1 3 402.237 3.317 50 0 HGAAHM COc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012462123 560211972 /nfs/dbraw/zinc/21/19/72/560211972.db2.gz RRKBNQJUZYXCMK-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 biogenic,in-vitro HGAAHM O=S(=O)([N-]CCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccccc1F ZINC000017177842 560702239 /nfs/dbraw/zinc/70/22/39/560702239.db2.gz NMEJVUYHIDFTRG-UHFFFAOYSA-N -1 3 420.466 3.257 50 0 HGAAHM C[C@@H]1C[C@@H](C)CN(C(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)C1 ZINC000103587709 560843601 /nfs/dbraw/zinc/84/36/01/560843601.db2.gz AAXBSSVTJANDHI-NUJGCVRESA-N -1 3 406.573 3.142 50 0 HGAAHM Cc1ccc(F)cc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000051316717 560856604 /nfs/dbraw/zinc/85/66/04/560856604.db2.gz KQISDSZVWNFHIZ-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 HGAAHM Cc1ccc(F)cc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000051316717 560856605 /nfs/dbraw/zinc/85/66/05/560856605.db2.gz KQISDSZVWNFHIZ-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000046074125 568426854 /nfs/dbraw/zinc/42/68/54/568426854.db2.gz PXITWFOZJAZQHA-SECBINFHSA-N -1 3 410.858 3.129 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccc2nccnc2c1 ZINC000012323426 568471342 /nfs/dbraw/zinc/47/13/42/568471342.db2.gz JDNKZUFRVSOEES-FQEVSTJZSA-N -1 3 423.498 3.089 50 0 HGAAHM COc1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1[O-] ZINC000032988012 568510562 /nfs/dbraw/zinc/51/05/62/568510562.db2.gz DXNDONQAUONECZ-WJDWOHSUSA-N -1 3 416.430 3.006 50 0 HGAAHM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000033299004 568513171 /nfs/dbraw/zinc/51/31/71/568513171.db2.gz ZJNBUGDPZOGFOB-UHFFFAOYSA-N -1 3 416.933 3.295 50 0 HGAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CO)c2)cc1 ZINC000095349461 568600483 /nfs/dbraw/zinc/60/04/83/568600483.db2.gz VFGGKRWFRXHTAW-MRXNPFEDSA-N -1 3 404.532 3.249 50 0 HGAAHM COC(=O)c1cc([N-]C(=O)c2noc3c2COc2ccccc2-3)cc(C(=O)OC)c1 ZINC000020484719 568612907 /nfs/dbraw/zinc/61/29/07/568612907.db2.gz IENMXLJSRAUKLD-UHFFFAOYSA-N -1 3 408.366 3.060 50 0 HGAAHM COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095476000 568630331 /nfs/dbraw/zinc/63/03/31/568630331.db2.gz UHJSLJWJDDALKH-AWEZNQCLSA-N -1 3 418.446 3.205 50 0 HGAAHM Cc1csc2nc(CSc3nnc([N-]C(=O)c4ccco4)s3)cc(=O)n12 ZINC000020984242 568654844 /nfs/dbraw/zinc/65/48/44/568654844.db2.gz TUGZOORQIRWITG-UHFFFAOYSA-N -1 3 405.486 3.054 50 0 HGAAHM O=c1c2cc(S(=O)(=O)N3CCCCC3)ccc2[n-]n1Cc1c(F)cccc1Cl ZINC000096096355 568688860 /nfs/dbraw/zinc/68/88/60/568688860.db2.gz GRBXFUWSPGSBNK-AWEZNQCLSA-N -1 3 423.897 3.063 50 0 HGAAHM COc1cc(-c2cc(=O)c3cc(O)ccc3o2)cc(I)c1[O-] ZINC000001106322 568770054 /nfs/dbraw/zinc/77/00/54/568770054.db2.gz KLQBDBAZDWSLEW-UHFFFAOYSA-N -1 3 410.163 3.484 50 0 biogenic HGAAHM C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000015043760 568748389 /nfs/dbraw/zinc/74/83/89/568748389.db2.gz YHUZNBCTZHINTR-HZPDHXFCSA-N -1 3 413.493 3.448 50 0 HGAAHM Cc1c(C(=O)[O-])sc2ncnc(NCCCN3CCN(c4ccccc4)CC3)c12 ZINC000021715898 568749868 /nfs/dbraw/zinc/74/98/68/568749868.db2.gz SXYWWRFUYMCARX-UHFFFAOYSA-N -1 3 411.531 3.322 50 0 HGAAHM CSCc1nc(=O)c2c(C)c(C(=O)N[C@H]3CCOc4ccccc43)sc2[n-]1 ZINC000012567378 568860678 /nfs/dbraw/zinc/86/06/78/568860678.db2.gz IBJRGSNQOSYDRS-LBPRGKRZSA-N -1 3 401.513 3.410 50 0 HGAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C3CCN(C)CC3)c2)c1 ZINC000003256374 568868519 /nfs/dbraw/zinc/86/85/19/568868519.db2.gz RSMVJYIYRGMWQP-UHFFFAOYSA-N -1 3 415.559 3.270 50 0 HGAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000012653198 568906635 /nfs/dbraw/zinc/90/66/35/568906635.db2.gz ISDZIFAAPCWBTQ-UHFFFAOYSA-N -1 3 408.545 3.325 50 0 HGAAHM CCOc1cc2c(cc1CNC(=O)c1c(C)[n-]sc1=NC(=O)OC)O[C@@H](C)C2 ZINC000012739213 568925656 /nfs/dbraw/zinc/92/56/56/568925656.db2.gz YLDANPINQFBACY-JTQLQIEISA-N -1 3 405.476 3.282 50 0 HGAAHM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012764621 568947576 /nfs/dbraw/zinc/94/75/76/568947576.db2.gz WESLBIICXGVVAX-MRXNPFEDSA-N -1 3 413.493 3.229 50 0 HGAAHM COc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1F ZINC000012766121 568948454 /nfs/dbraw/zinc/94/84/54/568948454.db2.gz SWJAQZPXFMMDEV-UHFFFAOYSA-N -1 3 402.451 3.229 50 0 HGAAHM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc21 ZINC000015781494 569002668 /nfs/dbraw/zinc/00/26/68/569002668.db2.gz QZIBFVKTZGFABI-UHFFFAOYSA-N -1 3 408.545 3.207 50 0 HGAAHM CCN1C(=O)C(C)(C)c2cc([N-]S(=O)(=O)CCOc3ccccc3)cc(C)c21 ZINC000223446153 569006104 /nfs/dbraw/zinc/00/61/04/569006104.db2.gz RYAHLKOFYWMXFB-UHFFFAOYSA-N -1 3 402.516 3.460 50 0 HGAAHM CCn1cnc2cc(-c3noc([C@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000035453385 569037716 /nfs/dbraw/zinc/03/77/16/569037716.db2.gz TWZRDUNJHURJBL-AWEZNQCLSA-N -1 3 411.487 3.454 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCCCCC1 ZINC000012974419 569042013 /nfs/dbraw/zinc/04/20/13/569042013.db2.gz YMMUTCRSARGFJR-INIZCTEOSA-N -1 3 402.557 3.018 50 0 HGAAHM O=C(NCc1cccc(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012997888 569048370 /nfs/dbraw/zinc/04/83/70/569048370.db2.gz XXQRYUXDEPTAHZ-UHFFFAOYSA-N -1 3 413.952 3.054 50 0 HGAAHM CSC[C@](C)(O)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000242100118 569054953 /nfs/dbraw/zinc/05/49/53/569054953.db2.gz WELGKKKNNIEJAS-OAHLLOKOSA-N -1 3 419.728 3.200 50 0 HGAAHM CSC[C@](C)(O)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000242100118 569054954 /nfs/dbraw/zinc/05/49/54/569054954.db2.gz WELGKKKNNIEJAS-OAHLLOKOSA-N -1 3 419.728 3.200 50 0 HGAAHM COc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)c([O-])c1 ZINC000426667419 569073765 /nfs/dbraw/zinc/07/37/65/569073765.db2.gz IWGSJXQRIIHRAI-HSZRJFAPSA-N -1 3 412.461 3.195 50 0 HGAAHM O=C(c1nc(-c2csc(S(=O)(=O)[N-]C3CCCCCC3)c2)no1)N1CCCC1 ZINC000065097357 569176577 /nfs/dbraw/zinc/17/65/77/569176577.db2.gz AOWWDZMHYSVZCL-UHFFFAOYSA-N -1 3 424.548 3.035 50 0 HGAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000007138263 569225758 /nfs/dbraw/zinc/22/57/58/569225758.db2.gz IRDGOFGMIRLLEF-UHFFFAOYSA-N -1 3 412.858 3.105 50 0 HGAAHM O=S(=O)(Cc1noc2ccccc21)[N-]C[C@@](O)(c1ccsc1)c1cccs1 ZINC000238871505 569227014 /nfs/dbraw/zinc/22/70/14/569227014.db2.gz NAEFKBQAPQWIPH-GOSISDBHSA-N -1 3 420.537 3.306 50 0 HGAAHM COc1ccc(CNC(=O)[C@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1OC ZINC000007260102 569230678 /nfs/dbraw/zinc/23/06/78/569230678.db2.gz DHLQOWVTLJYWKS-NSHDSACASA-N -1 3 404.517 3.347 50 0 HGAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000089780578 569264128 /nfs/dbraw/zinc/26/41/28/569264128.db2.gz VGVLNHBFQZTZER-UHFFFAOYSA-N -1 3 417.326 3.463 50 0 HGAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000089780578 569264129 /nfs/dbraw/zinc/26/41/29/569264129.db2.gz VGVLNHBFQZTZER-UHFFFAOYSA-N -1 3 417.326 3.463 50 0 HGAAHM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[O-])c2)C[C@H](C)O1 ZINC000017122905 569275201 /nfs/dbraw/zinc/27/52/01/569275201.db2.gz PNGZXNCQGJMYFQ-BETUJISGSA-N -1 3 424.906 3.096 50 0 HGAAHM Cc1c([O-])ccc2c(COC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc(=O)oc12 ZINC000007805383 569311715 /nfs/dbraw/zinc/31/17/15/569311715.db2.gz CQCMQOKZJOBELX-UHFFFAOYSA-N -1 3 417.458 3.497 50 0 HGAAHM CCOC(=O)C(Sc1nc2sc3c(c2c(N)n1)C[C@](C)(CC)OC3)=C(C)[O-] ZINC000002405094 569396051 /nfs/dbraw/zinc/39/60/51/569396051.db2.gz GNJHQNOXQGXBGD-ACJLOTCBSA-N -1 3 409.533 3.128 50 0 HGAAHM CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008850244 571126840 /nfs/dbraw/zinc/12/68/40/571126840.db2.gz MNOBINFIEQNTOH-CYBMUJFWSA-N -1 3 416.528 3.314 50 0 HGAAHM COc1ccccc1-c1nc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n[n-]1 ZINC000040088567 571158729 /nfs/dbraw/zinc/15/87/29/571158729.db2.gz BSFPODRJBYQOEN-UHFFFAOYSA-N -1 3 401.467 3.066 50 0 HGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1 ZINC000008961640 571190031 /nfs/dbraw/zinc/19/00/31/571190031.db2.gz QNTVLVQKTHOPAZ-UHFFFAOYSA-N -1 3 404.488 3.131 50 0 HGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1C ZINC000008961578 571190069 /nfs/dbraw/zinc/19/00/69/571190069.db2.gz LHDWQPVPDBZQFE-UHFFFAOYSA-N -1 3 404.488 3.049 50 0 HGAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000009013701 571211210 /nfs/dbraw/zinc/21/12/10/571211210.db2.gz QHPNDLQTNIVCOM-QGZVFWFLSA-N -1 3 411.767 3.285 50 0 HGAAHM Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000009127910 571226857 /nfs/dbraw/zinc/22/68/57/571226857.db2.gz ZTJCLEYPLNWDNL-UHFFFAOYSA-N -1 3 418.862 3.197 50 0 HGAAHM CCSc1ncc(Cl)c(C(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)n1 ZINC000009134934 571229498 /nfs/dbraw/zinc/22/94/98/571229498.db2.gz FHEABWVVLPVBFA-UHFFFAOYSA-N -1 3 409.851 3.068 50 0 HGAAHM CCOc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(C)=O ZINC000009262795 571243870 /nfs/dbraw/zinc/24/38/70/571243870.db2.gz VHQPIMOPQDPGSN-IBGZPJMESA-N -1 3 401.488 3.154 50 0 HGAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)N[C@H](C)C2CC2)c1OC ZINC000009515176 571264748 /nfs/dbraw/zinc/26/47/48/571264748.db2.gz FVEJBYQOWPIPDJ-GFCCVEGCSA-N -1 3 422.478 3.172 50 0 HGAAHM Cc1c(C(=O)OC(C)C)sc2[n-]c(CN(C[C@@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207444 571317257 /nfs/dbraw/zinc/31/72/57/571317257.db2.gz UHFGGSAJTUXJRS-CYBMUJFWSA-N -1 3 421.563 3.374 50 0 HGAAHM O=c1nc(CN2CCN(c3ccc(O)cc3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000007674305 132325316 /nfs/dbraw/zinc/32/53/16/132325316.db2.gz BHOSUQPGDDBWIR-UHFFFAOYSA-N -1 3 408.483 3.272 50 0 HGAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N(C)Cc3ccccc3)cc(C(C)C)nc21 ZINC000032032099 519483396 /nfs/dbraw/zinc/48/33/96/519483396.db2.gz LJPGAKLYOJVNBT-UHFFFAOYSA-N -1 3 408.502 3.136 50 0 HGAAHM CCCN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)CCc1cc(OC)ccc1OC ZINC000024865718 521693534 /nfs/dbraw/zinc/69/35/34/521693534.db2.gz YPIHNYOWUPHCJM-UHFFFAOYSA-N -1 3 415.515 3.373 50 0 HGAAHM Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(Br)c2)c([O-])c1 ZINC000032925270 525193921 /nfs/dbraw/zinc/19/39/21/525193921.db2.gz HDVKHWOMUZLSDV-GFCCVEGCSA-N -1 3 412.305 3.405 50 0 HGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)NCc1ccc(F)cc1 ZINC000032774480 526002546 /nfs/dbraw/zinc/00/25/46/526002546.db2.gz JTZKNBHICHCHMN-CYBMUJFWSA-N -1 3 423.473 3.457 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000040454474 526555562 /nfs/dbraw/zinc/55/55/62/526555562.db2.gz RFHNQPSQROXZAZ-GOSISDBHSA-N -1 3 410.499 3.289 50 0 HGAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCCCO4)ccc2N1 ZINC000032855677 526999305 /nfs/dbraw/zinc/99/93/05/526999305.db2.gz BLFAHXBLKXSDHK-UHFFFAOYSA-N -1 3 408.863 3.187 50 0 HGAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)cc(Br)c1[O-] ZINC000000647142 557037073 /nfs/dbraw/zinc/03/70/73/557037073.db2.gz QHKMQQNQPGCOMZ-CQSZACIVSA-N -1 3 413.268 3.085 50 0 HGAAHM O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1ccccc1[O-] ZINC000000990746 557134411 /nfs/dbraw/zinc/13/44/11/557134411.db2.gz NCHYGUASUCAENU-SNDHGLFQSA-N -1 3 424.456 3.223 50 0 HGAAHM O=S(=O)([N-]Cc1cccnc1)c1ccc(Br)cc1Br ZINC000001187522 557234832 /nfs/dbraw/zinc/23/48/32/557234832.db2.gz BDEJBZQPFQGNNE-UHFFFAOYSA-N -1 3 406.099 3.085 50 0 HGAAHM Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2nc1CN1CCCCC1 ZINC000001428977 557262101 /nfs/dbraw/zinc/26/21/01/557262101.db2.gz VFEQHYAFNZLBOE-UHFFFAOYSA-N -1 3 402.495 3.499 50 0 HGAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc(Cl)c1[O-] ZINC000001451732 557267483 /nfs/dbraw/zinc/26/74/83/557267483.db2.gz KBDZHOGSBSCBOI-SFHVURJKSA-N -1 3 416.861 3.468 50 0 HGAAHM O=P1([C@@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)OCCCO1 ZINC000004947664 557616106 /nfs/dbraw/zinc/61/61/06/557616106.db2.gz VNULNRRLUSHEDR-SNVBAGLBSA-N -1 3 408.627 3.291 50 0 HGAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc(Cl)c1[O-] ZINC000006681953 557714847 /nfs/dbraw/zinc/71/48/47/557714847.db2.gz HLYYJMLLBVYGGK-KRWDZBQOSA-N -1 3 402.834 3.426 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)N1CCOCC1 ZINC000007360470 557739667 /nfs/dbraw/zinc/73/96/67/557739667.db2.gz CQCRKGJOAVEYFC-UHFFFAOYSA-N -1 3 418.515 3.092 50 0 HGAAHM CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853633 557840174 /nfs/dbraw/zinc/84/01/74/557840174.db2.gz VDDIYJCDPZAMPZ-KRWDZBQOSA-N -1 3 414.531 3.342 50 0 HGAAHM COc1cccc(C2=NO[C@@H](C(=O)Nc3cc(Br)ccc3[O-])C2)c1OC ZINC000009856688 557850546 /nfs/dbraw/zinc/85/05/46/557850546.db2.gz YSDBVGRRRTVTDQ-MRXNPFEDSA-N -1 3 421.247 3.304 50 0 HGAAHM CCc1ccccc1NC(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1 ZINC000020213573 558348128 /nfs/dbraw/zinc/34/81/28/558348128.db2.gz GQDOMOAJMLADHF-UHFFFAOYSA-N -1 3 405.483 3.402 50 0 HGAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(c2ccccn2)CC1 ZINC000020726288 558404986 /nfs/dbraw/zinc/40/49/86/558404986.db2.gz CJNVYKLVQPXYCS-GOSISDBHSA-N -1 3 415.291 3.273 50 0 HGAAHM CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012795329 558468263 /nfs/dbraw/zinc/46/82/63/558468263.db2.gz ITKYIHBPSPLISQ-OAHLLOKOSA-N -1 3 424.501 3.028 50 0 HGAAHM Cc1nc(C)c(CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)c(=O)[n-]1 ZINC000022311655 558477676 /nfs/dbraw/zinc/47/76/76/558477676.db2.gz LIBNEFZBSOVSHB-GOSISDBHSA-N -1 3 419.909 3.172 50 0 HGAAHM COc1cc(-c2nn3c(nnc3-c3cc(C(C)C)n[n-]3)s2)cc(OC)c1OC ZINC000022502301 558492238 /nfs/dbraw/zinc/49/22/38/558492238.db2.gz USWQDOOVCCDRJN-UHFFFAOYSA-N -1 3 400.464 3.392 50 0 HGAAHM COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cccc([O-])c4)c(=O)[nH]c3C2)cc1 ZINC000013363494 558530497 /nfs/dbraw/zinc/53/04/97/558530497.db2.gz WCCZJEJPNCODQX-CQSZACIVSA-N -1 3 404.422 3.254 50 0 HGAAHM O=c1nc(CN2CCN(c3ccccn3)CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000023883120 558580478 /nfs/dbraw/zinc/58/04/78/558580478.db2.gz QJLKECZAQQOXDZ-UHFFFAOYSA-N -1 3 403.511 3.369 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(Cc3ccccc3)C3CC3)cc(C3CC3)nc21 ZINC000024472615 558598637 /nfs/dbraw/zinc/59/86/37/558598637.db2.gz ZCMJCSCZTUYOHB-UHFFFAOYSA-N -1 3 418.497 3.177 50 0 HGAAHM Cc1c2ccccc2oc1C(=O)COC(=O)CCC[N-]S(=O)(=O)c1cccs1 ZINC000014136129 558624101 /nfs/dbraw/zinc/62/41/01/558624101.db2.gz AISWULISPTWJPJ-UHFFFAOYSA-N -1 3 421.496 3.287 50 0 HGAAHM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OCc1ccccc1 ZINC000014168406 558626972 /nfs/dbraw/zinc/62/69/72/558626972.db2.gz HGYAAGNJPXKXOZ-UHFFFAOYSA-N -1 3 415.453 3.384 50 0 HGAAHM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1OCc1ccccc1 ZINC000014168406 558626975 /nfs/dbraw/zinc/62/69/75/558626975.db2.gz HGYAAGNJPXKXOZ-UHFFFAOYSA-N -1 3 415.453 3.384 50 0 HGAAHM Cc1ccc(S(=O)(=O)[C@H](C[N-]S(=O)(=O)c2cccs2)c2ccco2)cc1 ZINC000004519395 558633277 /nfs/dbraw/zinc/63/32/77/558633277.db2.gz KOLQMOFLZZQEEA-MRXNPFEDSA-N -1 3 411.526 3.143 50 0 HGAAHM CCOC(=O)c1c(C)oc2nc(CN(C)CCOc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000029143154 558710793 /nfs/dbraw/zinc/71/07/93/558710793.db2.gz IBCHNNMANNFEPG-UHFFFAOYSA-N -1 3 419.865 3.165 50 0 HGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)N1 ZINC000017091657 558820206 /nfs/dbraw/zinc/82/02/06/558820206.db2.gz SUVONXNXQMITSB-GFCCVEGCSA-N -1 3 418.725 3.292 50 0 HGAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1C ZINC000013696983 558856500 /nfs/dbraw/zinc/85/65/00/558856500.db2.gz YQODLHDCRFAALS-UHFFFAOYSA-N -1 3 400.500 3.412 50 0 HGAAHM COC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000033047608 558883550 /nfs/dbraw/zinc/88/35/50/558883550.db2.gz RABGUTKHCGRJKY-CQSZACIVSA-N -1 3 421.824 3.421 50 0 HGAAHM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1csc(-c2ccc(F)cc2)n1 ZINC000058358240 558921977 /nfs/dbraw/zinc/92/19/77/558921977.db2.gz YWYXXQYKJHHLOR-UHFFFAOYSA-N -1 3 406.460 3.199 50 0 HGAAHM O=C([O-])[C@H](CC(=O)Nc1cccc2ncccc21)CN1CCN(c2ccccc2)CC1 ZINC000072405405 558983817 /nfs/dbraw/zinc/98/38/17/558983817.db2.gz WDSQAEKDFOMGIO-GOSISDBHSA-N -1 3 418.497 3.086 50 0 HGAAHM Cc1nc(CNC(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)cs1 ZINC000077423507 559004640 /nfs/dbraw/zinc/00/46/40/559004640.db2.gz DIYJBNHHUHFALS-UHFFFAOYSA-N -1 3 409.298 3.362 50 0 HGAAHM Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000072273418 559017955 /nfs/dbraw/zinc/01/79/55/559017955.db2.gz HEUITXROMJJBBY-UHFFFAOYSA-N -1 3 417.531 3.316 50 0 HGAAHM CCOc1ccc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)cc1CO ZINC000082087853 559037014 /nfs/dbraw/zinc/03/70/14/559037014.db2.gz YMJCPILDRDUXQQ-UHFFFAOYSA-N -1 3 403.450 3.215 50 0 HGAAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)c1ccccc1Cl ZINC000004751647 559049088 /nfs/dbraw/zinc/04/90/88/559049088.db2.gz YQDINXNBUIKJBW-OAHLLOKOSA-N -1 3 415.870 3.461 50 0 HGAAHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1cc(C)nn1-c1cc(C)ccc1C ZINC000011651186 559119761 /nfs/dbraw/zinc/11/97/61/559119761.db2.gz CWSDYNGYTQUTPS-UHFFFAOYSA-N -1 3 400.508 3.235 50 0 HGAAHM O=C(c1c([O-])cccc1O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426489315 559271883 /nfs/dbraw/zinc/27/18/83/559271883.db2.gz DUTCYBJWIVLMAO-DEOSSOPVSA-N -1 3 408.498 3.185 50 0 HGAAHM O=S(=O)([N-]c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000005250702 560551350 /nfs/dbraw/zinc/55/13/50/560551350.db2.gz BZKYDEWJIONMKE-UHFFFAOYSA-N -1 3 400.909 3.071 50 0 HGAAHM CCOC([O-])=NC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000005267073 560553917 /nfs/dbraw/zinc/55/39/17/560553917.db2.gz URXYQXNHJNZHKD-UHFFFAOYSA-N -1 3 413.455 3.285 50 0 HGAAHM CCOC(=O)[N-]C(=O)COC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000005267073 560553918 /nfs/dbraw/zinc/55/39/18/560553918.db2.gz URXYQXNHJNZHKD-UHFFFAOYSA-N -1 3 413.455 3.285 50 0 HGAAHM COc1cc2c(cc1OC)[C@H](c1c(=O)[nH]c(=S)n(C3CCCCC3)c1[O-])NCC2 ZINC000017197448 560704244 /nfs/dbraw/zinc/70/42/44/560704244.db2.gz XJUKIFZZMNYBHQ-GOSISDBHSA-N -1 3 417.531 3.369 50 0 HGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(-c2ccsc2)cc1 ZINC000585148203 560741835 /nfs/dbraw/zinc/74/18/35/560741835.db2.gz ZMWIBDPLMUWEIP-HNNXBMFYSA-N -1 3 423.537 3.275 50 0 HGAAHM COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1[O-] ZINC000101657704 560798030 /nfs/dbraw/zinc/79/80/30/560798030.db2.gz VBHANTJIZKDOQH-AUWJEWJLSA-N -1 3 421.222 3.395 50 0 HGAAHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074527 568426989 /nfs/dbraw/zinc/42/69/89/568426989.db2.gz APNUDLHKLXFLDK-OAHLLOKOSA-N -1 3 420.494 3.435 50 0 HGAAHM Cc1nc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C ZINC000032983747 568510186 /nfs/dbraw/zinc/51/01/86/568510186.db2.gz YCYPBHASQUWKRP-UHFFFAOYSA-N -1 3 407.439 3.086 50 0 HGAAHM CCc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020137213 568589841 /nfs/dbraw/zinc/58/98/41/568589841.db2.gz LMLQJNODLNZQOH-UHFFFAOYSA-N -1 3 417.350 3.380 50 0 HGAAHM CC(C)N1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[n-]c(=O)c2C1 ZINC000020467807 568610568 /nfs/dbraw/zinc/61/05/68/568610568.db2.gz AZBNJJFHZHCSLQ-UHFFFAOYSA-N -1 3 410.902 3.472 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3cccc(C)c3)c2)S1 ZINC000020896473 568649035 /nfs/dbraw/zinc/64/90/35/568649035.db2.gz PCWKLSXXRSADEA-HXUWFJFHSA-N -1 3 413.499 3.454 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OC(=O)c3ccccc3F)c2)S1 ZINC000020896599 568649173 /nfs/dbraw/zinc/64/91/73/568649173.db2.gz JEANLXMRLRVVJT-QGZVFWFLSA-N -1 3 401.419 3.046 50 0 HGAAHM CC(C)c1cccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)c1 ZINC000095999233 568680218 /nfs/dbraw/zinc/68/02/18/568680218.db2.gz DXISCVQBZMHBLK-OAHLLOKOSA-N -1 3 405.524 3.316 50 0 HGAAHM CC(C)c1cccc(NC(=O)N2CCC[C@@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)c1 ZINC000095999233 568680219 /nfs/dbraw/zinc/68/02/19/568680219.db2.gz DXISCVQBZMHBLK-OAHLLOKOSA-N -1 3 405.524 3.316 50 0 HGAAHM Cc1cc(C(F)(F)F)nn1Cc1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1 ZINC000002808734 568811763 /nfs/dbraw/zinc/81/17/63/568811763.db2.gz XGRGBGSGTLGINX-UHFFFAOYSA-N -1 3 419.436 3.373 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000057010203 568823191 /nfs/dbraw/zinc/82/31/91/568823191.db2.gz BRPZKOUTTJZDSM-UHFFFAOYSA-N -1 3 418.437 3.337 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012525932 568842850 /nfs/dbraw/zinc/84/28/50/568842850.db2.gz INXPVAWIXOVMLZ-IYBDPMFKSA-N -1 3 418.515 3.054 50 0 HGAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1Cl ZINC000012539348 568846865 /nfs/dbraw/zinc/84/68/65/568846865.db2.gz MMMQAEUZHNVUFW-TXEJJXNPSA-N -1 3 423.362 3.177 50 0 HGAAHM CCN1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)CC1 ZINC000012560882 568858133 /nfs/dbraw/zinc/85/81/33/568858133.db2.gz BOYXAAGJAVQCLR-UHFFFAOYSA-N -1 3 401.532 3.010 50 0 HGAAHM Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)[O-])CC1 ZINC000299798554 568876534 /nfs/dbraw/zinc/87/65/34/568876534.db2.gz RCPICGYWQCUPRP-UHFFFAOYSA-N -1 3 406.486 3.325 50 0 HGAAHM Cc1ccc(-c2csc3ncn(CCC(=O)[N-]O[C@H]4CCCCO4)c(=O)c23)cc1 ZINC000058135839 568890228 /nfs/dbraw/zinc/89/02/28/568890228.db2.gz ISDLAEGDULWBFB-SFHVURJKSA-N -1 3 413.499 3.398 50 0 HGAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc4c(s3)CN(Cc3ccccc3)CC4)nc2n1 ZINC000003538478 568913828 /nfs/dbraw/zinc/91/38/28/568913828.db2.gz DNQRDQVVUFEHRU-UHFFFAOYSA-N -1 3 419.514 3.008 50 0 HGAAHM O=C(c1ccc(F)cc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012745020 568931038 /nfs/dbraw/zinc/93/10/38/568931038.db2.gz OSVMESUFHOBQNH-UHFFFAOYSA-N -1 3 402.900 3.124 50 0 HGAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(Br)cc2)N1 ZINC000004199516 568951309 /nfs/dbraw/zinc/95/13/09/568951309.db2.gz ZVESGXNHOMLVDS-CQSZACIVSA-N -1 3 422.201 3.027 50 0 HGAAHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004249759 568954419 /nfs/dbraw/zinc/95/44/19/568954419.db2.gz IPZNJRVQCMEQEH-UHFFFAOYSA-N -1 3 403.773 3.462 50 0 HGAAHM CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000015674599 568963049 /nfs/dbraw/zinc/96/30/49/568963049.db2.gz IEQQLRGNCDHTDU-UHFFFAOYSA-N -1 3 420.491 3.453 50 0 HGAAHM CC1CCN(CC[N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000015731091 568980906 /nfs/dbraw/zinc/98/09/06/568980906.db2.gz MUOQCTOGYUPRJV-UHFFFAOYSA-N -1 3 423.482 3.432 50 0 HGAAHM Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([O-])c1 ZINC000008378874 568996033 /nfs/dbraw/zinc/99/60/33/568996033.db2.gz GZSDXVAJGHWSEW-UHFFFAOYSA-N -1 3 402.516 3.447 50 0 HGAAHM Cc1ccn2c(=O)cc(COc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nc2c1 ZINC000015865488 569016747 /nfs/dbraw/zinc/01/67/47/569016747.db2.gz TUNAMZXUERHXHU-UHFFFAOYSA-N -1 3 421.478 3.383 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013005933 569049641 /nfs/dbraw/zinc/04/96/41/569049641.db2.gz ILJLLARWJRRNAE-AWEZNQCLSA-N -1 3 415.471 3.389 50 0 HGAAHM CCN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000245326930 569055893 /nfs/dbraw/zinc/05/58/93/569055893.db2.gz NEOVVIVDFOKJHO-IERDGZPVSA-N -1 3 418.925 3.110 50 0 HGAAHM CCN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000245326933 569055905 /nfs/dbraw/zinc/05/59/05/569055905.db2.gz NEOVVIVDFOKJHO-IIBYNOLFSA-N -1 3 418.925 3.110 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)NC[C@H]3CCCO3)cc2)cc1 ZINC000006502367 569061622 /nfs/dbraw/zinc/06/16/22/569061622.db2.gz PHWBGJDASHCXBY-QGZVFWFLSA-N -1 3 405.545 3.261 50 0 HGAAHM COc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3=O)c([O-])c1 ZINC000426667423 569073782 /nfs/dbraw/zinc/07/37/82/569073782.db2.gz IWGSJXQRIIHRAI-QHCPKHFHSA-N -1 3 412.461 3.195 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCN2C(=O)C(C)C ZINC000064977129 569140005 /nfs/dbraw/zinc/14/00/05/569140005.db2.gz GUJKYYUAFLGEEW-UHFFFAOYSA-N -1 3 422.934 3.372 50 0 HGAAHM COc1cc2c(cc1OC)CN(C(=O)CSc1n[n-]c(-c3cccs3)n1)CC2 ZINC000007005901 569199289 /nfs/dbraw/zinc/19/92/89/569199289.db2.gz WOCBFIFMVXHHON-UHFFFAOYSA-N -1 3 416.528 3.227 50 0 HGAAHM COc1cccc(CCC(=O)N2CCc3c(=O)[n-]c(-c4ccc(F)cc4)nc3C2)c1 ZINC000065260245 569211048 /nfs/dbraw/zinc/21/10/48/569211048.db2.gz FNZIDNJQSQLICE-UHFFFAOYSA-N -1 3 407.445 3.102 50 0 HGAAHM CC(C)S(=O)(=O)c1cccc(-c2nnc([N-]C(=O)c3cnc4ccccc4n3)o2)c1 ZINC000036709548 569224223 /nfs/dbraw/zinc/22/42/23/569224223.db2.gz CAAIULAMIFXSGD-UHFFFAOYSA-N -1 3 423.454 3.114 50 0 HGAAHM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1C ZINC000007423731 569238008 /nfs/dbraw/zinc/23/80/08/569238008.db2.gz XEGIHLDTUUXOAK-UHFFFAOYSA-N -1 3 410.561 3.246 50 0 HGAAHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cnc(Cl)c(Br)c1 ZINC000170609286 569245051 /nfs/dbraw/zinc/24/50/51/569245051.db2.gz BAXBEYKNKTVCCS-UHFFFAOYSA-N -1 3 417.712 3.417 50 0 HGAAHM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)O[C@H](C)C2 ZINC000170621848 569248562 /nfs/dbraw/zinc/24/85/62/569248562.db2.gz IWFOJEBLMZXONO-SNVBAGLBSA-N -1 3 401.406 3.305 50 0 HGAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccccc1)[n-]c2=O ZINC000016974312 569269785 /nfs/dbraw/zinc/26/97/85/569269785.db2.gz JJYNEXHHULPIBA-UHFFFAOYSA-N -1 3 407.455 3.261 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 ZINC000017013771 569271761 /nfs/dbraw/zinc/27/17/61/569271761.db2.gz SFPPHJJXYWHVSV-UHFFFAOYSA-N -1 3 413.503 3.404 50 0 HGAAHM CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CSC)o2)cc1 ZINC000002457024 569412362 /nfs/dbraw/zinc/41/23/62/569412362.db2.gz RAJKRFNBQKIBAR-AWEZNQCLSA-N -1 3 424.548 3.138 50 0 HGAAHM COc1ccc(OC)c2c(=O)c(CN3CCN(Cc4ccccc4)CC3)c(C)[n-]c12 ZINC000019793607 569430061 /nfs/dbraw/zinc/43/00/61/569430061.db2.gz PFRGHQOEDLHZOU-UHFFFAOYSA-N -1 3 407.514 3.172 50 0 HGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1)N1CCc2ccccc21 ZINC000008755143 571113249 /nfs/dbraw/zinc/11/32/49/571113249.db2.gz AEBNYKBTJXHMQD-INIZCTEOSA-N -1 3 420.918 3.000 50 0 HGAAHM CCN1CCN(c2ncc(-c3cc(=O)[n-]c(Nc4cccc(C)c4C)n3)c(C)n2)CC1 ZINC000039404008 571132101 /nfs/dbraw/zinc/13/21/01/571132101.db2.gz OYTIYYHEUHOXCC-UHFFFAOYSA-N -1 3 419.533 3.038 50 0 HGAAHM C[C@]1(c2cccc(NC(=O)c3ccc(COc4ccccc4)o3)c2)NC(=O)[N-]C1=O ZINC000040110830 571169054 /nfs/dbraw/zinc/16/90/54/571169054.db2.gz RIWCVPIDUNTMIU-JOCHJYFZSA-N -1 3 405.410 3.166 50 0 HGAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)c(C)c1 ZINC000008962384 571190045 /nfs/dbraw/zinc/19/00/45/571190045.db2.gz VUSKVPOJSAUCEI-UHFFFAOYSA-N -1 3 415.515 3.443 50 0 HGAAHM Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)c([O-])c1 ZINC000040144730 571194742 /nfs/dbraw/zinc/19/47/42/571194742.db2.gz PBEQRAOOLKJMNF-HSZRJFAPSA-N -1 3 407.470 3.418 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009169938 571233459 /nfs/dbraw/zinc/23/34/59/571233459.db2.gz SBXUDKQQGWTBTK-UHFFFAOYSA-N -1 3 404.488 3.186 50 0 HGAAHM [O-]c1ccc(Br)cc1C(=S)N1CCN(C(=S)c2ccccn2)CC1 ZINC000009849105 571288242 /nfs/dbraw/zinc/28/82/42/571288242.db2.gz JMECSUWWDMPAGV-UHFFFAOYSA-N -1 3 422.373 3.219 50 0 HGAAHM CCOc1ccccc1C(=O)[N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000010251737 571298166 /nfs/dbraw/zinc/29/81/66/571298166.db2.gz ALIHAIDPSSXFIC-UHFFFAOYSA-N -1 3 409.833 3.018 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115284 571315825 /nfs/dbraw/zinc/31/58/25/571315825.db2.gz KFWSHTCFMUDMKA-LJQANCHMSA-N -1 3 414.527 3.123 50 0 HGAAHM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000011906612 132351913 /nfs/dbraw/zinc/35/19/13/132351913.db2.gz DGGPHSLVLQLUQX-UHFFFAOYSA-N -1 3 413.499 3.131 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1 ZINC000011906473 132351925 /nfs/dbraw/zinc/35/19/25/132351925.db2.gz QFTLGXQHZXHHQI-UHFFFAOYSA-N -1 3 423.494 3.484 50 0 HGAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)NC3=O)c2)c(C)c1C ZINC000032935277 525673905 /nfs/dbraw/zinc/67/39/05/525673905.db2.gz KLJIOVRPTZWSIP-NRFANRHFSA-N -1 3 415.515 3.084 50 0 HGAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1C(F)(F)F ZINC000024097238 527234838 /nfs/dbraw/zinc/23/48/38/527234838.db2.gz BABLSWDTLFWFHP-KRWDZBQOSA-N -1 3 414.449 3.057 50 0 HGAAHM O=C(Nc1ccccc1N1CCCCCC1)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000032908522 527426094 /nfs/dbraw/zinc/42/60/94/527426094.db2.gz RAIVYVIDERTGLC-UHFFFAOYSA-N -1 3 419.485 3.052 50 0 HGAAHM COc1ccc(N2C(=O)CC[C@@H](C(=O)[N-]C3=NCCS3)[C@@H]2c2ccccc2)cc1 ZINC000007986884 536658692 /nfs/dbraw/zinc/65/86/92/536658692.db2.gz JTVGMGJYYXJIIX-QUCCMNQESA-N -1 3 409.511 3.399 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000001058464 557162507 /nfs/dbraw/zinc/16/25/07/557162507.db2.gz ZEMYCTFENDTXOL-UHFFFAOYSA-N -1 3 423.494 3.240 50 0 HGAAHM O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(C2CCCC2)C1=O)c1ccc(Cl)cc1Cl ZINC000002886576 557422390 /nfs/dbraw/zinc/42/23/90/557422390.db2.gz MFHSANCTLSPYLR-HNNXBMFYSA-N -1 3 424.206 3.476 50 0 HGAAHM O=C([N-]C1=NCCS1)[C@H](NC(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005043523 557629074 /nfs/dbraw/zinc/62/90/74/557629074.db2.gz VEMNISVGXUJPQO-CTEACUEPSA-N -1 3 415.534 3.360 50 0 HGAAHM COc1cc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000005661011 557667000 /nfs/dbraw/zinc/66/70/00/557667000.db2.gz WOXBGUPNXXDYKW-UHFFFAOYSA-N -1 3 406.287 3.368 50 0 HGAAHM O=C(OCc1cc(-c2cccs2)on1)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000010567484 557681591 /nfs/dbraw/zinc/68/15/91/557681591.db2.gz XYUBDNDLCGTEGQ-UHFFFAOYSA-N -1 3 410.498 3.262 50 0 HGAAHM COc1ccc(-c2n[n-]c(NC(=O)Cc3c(C)c4ccc(OC)cc4oc3=O)n2)cc1 ZINC000009304443 557835729 /nfs/dbraw/zinc/83/57/29/557835729.db2.gz MNOIKKFDZOPPCY-UHFFFAOYSA-N -1 3 420.425 3.085 50 0 HGAAHM COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3[O-])C2)c1 ZINC000009856699 557850504 /nfs/dbraw/zinc/85/05/04/557850504.db2.gz OBHJXFZIPRCFAJ-KRWDZBQOSA-N -1 3 421.247 3.304 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012573102 558429769 /nfs/dbraw/zinc/42/97/69/558429769.db2.gz AGKVWJACTXAMQF-OAHLLOKOSA-N -1 3 408.430 3.111 50 0 HGAAHM C[C@@H]1CO[P@@](=O)([C@@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000022014888 558457758 /nfs/dbraw/zinc/45/77/58/558457758.db2.gz BNAILMRPGCYYNP-ACJFNNECSA-N -1 3 408.627 3.290 50 0 HGAAHM Cc1c([O-])ccc2c(CN3CCC(NC(=O)c4ccc(F)cc4)CC3)cc(=O)oc12 ZINC000023147547 558538609 /nfs/dbraw/zinc/53/86/09/558538609.db2.gz HADJXDQBIRUPTJ-UHFFFAOYSA-N -1 3 410.445 3.341 50 0 HGAAHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)Cc1ccsc1 ZINC000024384117 558596779 /nfs/dbraw/zinc/59/67/79/558596779.db2.gz BXKHWSQZUVIOTC-JTQLQIEISA-N -1 3 407.344 3.380 50 0 HGAAHM COc1ccc(-c2csc(C[N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000072265246 558664668 /nfs/dbraw/zinc/66/46/68/558664668.db2.gz MEPUAMJCWQSVKY-UHFFFAOYSA-N -1 3 417.512 3.256 50 0 HGAAHM Cc1ccc(C)c(NC(=O)CSc2nnc3[n-]c(=O)c(Cc4ccccc4)nn32)c1 ZINC000015882051 558760614 /nfs/dbraw/zinc/76/06/14/558760614.db2.gz PNIRWEMPRSBTBO-UHFFFAOYSA-N -1 3 420.498 3.163 50 0 HGAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000033274826 558764633 /nfs/dbraw/zinc/76/46/33/558764633.db2.gz ZQBDLASXMNWNLK-UHFFFAOYSA-N -1 3 402.516 3.444 50 0 HGAAHM O=C(Nc1cccc(I)c1)c1c(O)nc2ccccc2c1[O-] ZINC000017015284 558811655 /nfs/dbraw/zinc/81/16/55/558811655.db2.gz BAPXMURJDBJGEK-UHFFFAOYSA-N -1 3 406.179 3.091 50 0 HGAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCCc1ccccc1 ZINC000017028051 558812169 /nfs/dbraw/zinc/81/21/69/558812169.db2.gz LIYGFXZLJLKJJR-QGZVFWFLSA-N -1 3 405.454 3.183 50 0 HGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)N1 ZINC000017092431 558820950 /nfs/dbraw/zinc/82/09/50/558820950.db2.gz QCRYEAQLNIRWOI-OAHLLOKOSA-N -1 3 420.750 3.185 50 0 HGAAHM O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1ccccc1[O-] ZINC000018243739 558834283 /nfs/dbraw/zinc/83/42/83/558834283.db2.gz NCHYGUASUCAENU-ULBZPVTCSA-N -1 3 424.456 3.223 50 0 HGAAHM CCN1CCC[C@@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000004598958 558834887 /nfs/dbraw/zinc/83/48/87/558834887.db2.gz YBDRFGGSSAHIEP-MRXNPFEDSA-N -1 3 402.564 3.220 50 0 HGAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc21 ZINC000033129803 558885670 /nfs/dbraw/zinc/88/56/70/558885670.db2.gz OTLZQASIZKAXJI-UHFFFAOYSA-N -1 3 413.543 3.207 50 0 HGAAHM CC1CCN(C(=O)C(=C([O-])c2ccc(Br)cc2)n2ccccc2=O)CC1 ZINC000004689630 558899345 /nfs/dbraw/zinc/89/93/45/558899345.db2.gz DKVLCBZJUQRZGJ-GOSISDBHSA-N -1 3 417.303 3.293 50 0 HGAAHM CCOc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4ccccc4F)o3)CC2=O)cc1 ZINC000033291077 559045707 /nfs/dbraw/zinc/04/57/07/559045707.db2.gz PMZPNWHTXMPLJI-ZDUSSCGKSA-N -1 3 410.405 3.380 50 0 HGAAHM O=C(c1cccc(C(F)(F)F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450528 559076642 /nfs/dbraw/zinc/07/66/42/559076642.db2.gz DXIGNSJHRRUYBN-UHFFFAOYSA-N -1 3 418.462 3.350 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000100722326 559138511 /nfs/dbraw/zinc/13/85/11/559138511.db2.gz ZWEYECKGSIUVIR-QHAWAJNXSA-N -1 3 401.422 3.141 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000004879959 559196163 /nfs/dbraw/zinc/19/61/63/559196163.db2.gz ZYRVECOSVHQEHR-ZDUSSCGKSA-N -1 3 401.579 3.444 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccc(Cl)cc1 ZINC000004879841 559196206 /nfs/dbraw/zinc/19/62/06/559196206.db2.gz RFIUYUAFEQSSNB-INIZCTEOSA-N -1 3 400.953 3.063 50 0 HGAAHM CS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000005099711 559244813 /nfs/dbraw/zinc/24/48/13/559244813.db2.gz HQUWFDSHHUGNFY-UHFFFAOYSA-N -1 3 416.524 3.353 50 0 HGAAHM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2OC)c1 ZINC000005199126 559292344 /nfs/dbraw/zinc/29/23/44/559292344.db2.gz KSUHYFOELRLBGM-UHFFFAOYSA-N -1 3 401.422 3.465 50 0 HGAAHM COc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)c1 ZINC000005343061 560568005 /nfs/dbraw/zinc/56/80/05/560568005.db2.gz QMGURYPYNPIVBY-FQEVSTJZSA-N -1 3 413.861 3.290 50 0 HGAAHM O=c1c2cc(S(=O)(=O)N3CCCCC3)ccc2[n-]n1Cc1c(F)cccc1Cl ZINC000101331399 560791944 /nfs/dbraw/zinc/79/19/44/560791944.db2.gz GRBXFUWSPGSBNK-CQSZACIVSA-N -1 3 423.897 3.063 50 0 HGAAHM COc1ccc(Cl)cc1NCc1cc(=O)n2nc(NCc3ccccc3)[n-]c2n1 ZINC000101795695 560801392 /nfs/dbraw/zinc/80/13/92/560801392.db2.gz FVAACZLDKWFDHT-UHFFFAOYSA-N -1 3 410.865 3.304 50 0 HGAAHM COc1cccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)c1 ZINC000101795936 560801469 /nfs/dbraw/zinc/80/14/69/560801469.db2.gz AHILMPWSEUSVAI-UHFFFAOYSA-N -1 3 410.865 3.304 50 0 HGAAHM COc1ccc(Cl)cc1NCc1cc(=O)n2nc(NCc3cccs3)[n-]c2n1 ZINC000101797089 560801855 /nfs/dbraw/zinc/80/18/55/560801855.db2.gz ZYIHAADQDVPZBH-UHFFFAOYSA-N -1 3 416.894 3.365 50 0 HGAAHM COc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4[n-]cc-3c2=O)cc1Cl ZINC000101801029 560802009 /nfs/dbraw/zinc/80/20/09/560802009.db2.gz KRPXTJNARDFHKN-UHFFFAOYSA-N -1 3 400.797 3.269 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000046074192 568426791 /nfs/dbraw/zinc/42/67/91/568426791.db2.gz CVUKHYVQRIYNKG-LBPRGKRZSA-N -1 3 406.895 3.380 50 0 HGAAHM CCCCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCC)[n-]c(=O)c32)cc1 ZINC000046075464 568426992 /nfs/dbraw/zinc/42/69/92/568426992.db2.gz OAYYPDGDHPXKCH-AWEZNQCLSA-N -1 3 400.504 3.289 50 0 HGAAHM CCCCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCC)[n-]c(=O)c32)cc1 ZINC000046075461 568427039 /nfs/dbraw/zinc/42/70/39/568427039.db2.gz OAYYPDGDHPXKCH-CQSZACIVSA-N -1 3 400.504 3.289 50 0 HGAAHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)nc1C ZINC000046086670 568428115 /nfs/dbraw/zinc/42/81/15/568428115.db2.gz QMDQUDDPHXYGTC-UHFFFAOYSA-N -1 3 403.416 3.163 50 0 HGAAHM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1 ZINC000005075427 568453650 /nfs/dbraw/zinc/45/36/50/568453650.db2.gz RTFVULFOKSGVDX-UHFFFAOYSA-N -1 3 402.497 3.181 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cnc2N)c(Br)c1 ZINC000020467611 568610605 /nfs/dbraw/zinc/61/06/05/568610605.db2.gz RLOKMBRJTZKHJL-UHFFFAOYSA-N -1 3 421.114 3.298 50 0 HGAAHM O=S(=O)([N-]Cc1nc(-c2cccc(Br)c2)no1)c1cccs1 ZINC000095481635 568633596 /nfs/dbraw/zinc/63/35/96/568633596.db2.gz VMOZHIKMHCNKDI-UHFFFAOYSA-N -1 3 400.279 3.039 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccccc3C)cc2)S1 ZINC000020895407 568648854 /nfs/dbraw/zinc/64/88/54/568648854.db2.gz HAFSDORPKOUYOO-HXUWFJFHSA-N -1 3 413.499 3.454 50 0 HGAAHM CCOc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(C)=O)c1 ZINC000095945870 568663818 /nfs/dbraw/zinc/66/38/18/568663818.db2.gz ZAKLJLQKJHAEMH-HXUWFJFHSA-N -1 3 401.488 3.154 50 0 HGAAHM O=C(c1ccc(Cl)s1)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2 ZINC000096095752 568688738 /nfs/dbraw/zinc/68/87/38/568688738.db2.gz KGUMSDWGVJJCJT-OUAUKWLOSA-N -1 3 402.950 3.045 50 0 HGAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1cccc(OC(F)F)c1)SCC(=O)N2 ZINC000096117048 568696460 /nfs/dbraw/zinc/69/64/60/568696460.db2.gz FLEWXXYYKXMHPV-HNNXBMFYSA-N -1 3 411.430 3.316 50 0 HGAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)o1 ZINC000096117245 568696619 /nfs/dbraw/zinc/69/66/19/568696619.db2.gz LKBCZPOFOIOIEU-CYBMUJFWSA-N -1 3 402.321 3.085 50 0 HGAAHM CCN(C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)c1ccccc1 ZINC000021537144 568712526 /nfs/dbraw/zinc/71/25/26/568712526.db2.gz SFTXIFGARZWYNO-UHFFFAOYSA-N -1 3 405.483 3.230 50 0 HGAAHM COc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)cc1 ZINC000021537164 568712550 /nfs/dbraw/zinc/71/25/50/568712550.db2.gz RWECPXKUCZHGNU-UHFFFAOYSA-N -1 3 421.482 3.132 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275924 568714756 /nfs/dbraw/zinc/71/47/56/568714756.db2.gz FAQSTPBHACAWIG-QGZVFWFLSA-N -1 3 401.444 3.141 50 0 HGAAHM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]Cc1ccccc1OC ZINC000012415325 568717441 /nfs/dbraw/zinc/71/74/41/568717441.db2.gz NXXHGDLFTODTBI-UHFFFAOYSA-N -1 3 409.460 3.314 50 0 HGAAHM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c[nH]2)o1 ZINC000096321600 568728892 /nfs/dbraw/zinc/72/88/92/568728892.db2.gz XMZKOJGHTKHJSJ-UHFFFAOYSA-N -1 3 415.244 3.330 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000096396324 568744924 /nfs/dbraw/zinc/74/49/24/568744924.db2.gz GTTRJTBOVOXPED-INIZCTEOSA-N -1 3 408.907 3.049 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(F)cc2)[n-]c3=O)cc1 ZINC000002717920 568802590 /nfs/dbraw/zinc/80/25/90/568802590.db2.gz LASSJSISFOZGQN-UHFFFAOYSA-N -1 3 409.446 3.287 50 0 HGAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(C)oc3C)o2)cc1 ZINC000056905317 568821063 /nfs/dbraw/zinc/82/10/63/568821063.db2.gz ONDALOTWVRBWTH-UHFFFAOYSA-N -1 3 418.475 3.229 50 0 HGAAHM Cc1nc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C ZINC000029582384 568827773 /nfs/dbraw/zinc/82/77/73/568827773.db2.gz PWLRXNFHWQHOMB-VIFPVBQESA-N -1 3 407.439 3.084 50 0 HGAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1Cl ZINC000057390693 568831232 /nfs/dbraw/zinc/83/12/32/568831232.db2.gz QGOPCBYEBCSPEI-UHFFFAOYSA-N -1 3 421.906 3.016 50 0 HGAAHM Cc1cccc(N2CCN(CCCC[N-]S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000030361156 568862013 /nfs/dbraw/zinc/86/20/13/568862013.db2.gz FEMKVEJWWRVXNM-UHFFFAOYSA-N -1 3 405.539 3.015 50 0 HGAAHM Cc1cccc(N2CCN(CCCC[N-]S(=O)(=O)c3cc(F)cc(F)c3)CC2)c1 ZINC000030361186 568862028 /nfs/dbraw/zinc/86/20/28/568862028.db2.gz HJUUXUGCBNALBW-UHFFFAOYSA-N -1 3 423.529 3.154 50 0 HGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000015359810 568881937 /nfs/dbraw/zinc/88/19/37/568881937.db2.gz GQYAWPWNOHHJER-UHFFFAOYSA-N -1 3 406.342 3.475 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000003334068 568882419 /nfs/dbraw/zinc/88/24/19/568882419.db2.gz KLNVVBSXKMPMQB-YOEHRIQHSA-N -1 3 410.536 3.103 50 0 HGAAHM Cc1ccc(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2cccc(C)c2)cc1 ZINC000004061369 568937148 /nfs/dbraw/zinc/93/71/48/568937148.db2.gz OHHKVKPQSDWIQF-UHFFFAOYSA-N -1 3 419.510 3.144 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012755181 568942689 /nfs/dbraw/zinc/94/26/89/568942689.db2.gz LITPLVCDTIKKFZ-GASCZTMLSA-N -1 3 406.479 3.184 50 0 HGAAHM Cc1ccc(N2C(=O)[C@@H](C)NC2=S)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015569900 568950701 /nfs/dbraw/zinc/95/07/01/568950701.db2.gz UIABAWXKQVYLJS-LLVKDONJSA-N -1 3 409.920 3.059 50 0 HGAAHM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4ccco4)o3)cc2)CC1 ZINC000004264614 568956059 /nfs/dbraw/zinc/95/60/59/568956059.db2.gz DRSSQMHVFMJIIS-UHFFFAOYSA-N -1 3 416.459 3.003 50 0 HGAAHM O=C([N-]c1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000004264597 568956074 /nfs/dbraw/zinc/95/60/74/568956074.db2.gz PJOZXSZHJNCPHH-UHFFFAOYSA-N -1 3 416.459 3.147 50 0 HGAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)NCc2cccs2)[n-]c3=O)c1 ZINC000007988246 568965769 /nfs/dbraw/zinc/96/57/69/568965769.db2.gz CJISGIKCVYXKIB-UHFFFAOYSA-N -1 3 411.512 3.300 50 0 HGAAHM O=C(Nc1cccc2c1C(=O)[N-]C2=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000008324381 568991006 /nfs/dbraw/zinc/99/10/06/568991006.db2.gz PMXYZPOKNAVYCN-UHFFFAOYSA-N -1 3 409.405 3.070 50 0 HGAAHM COc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@H]2CCO)c(F)c1 ZINC000104337630 569008405 /nfs/dbraw/zinc/00/84/05/569008405.db2.gz LMPKJMQMMGFAFN-QGZVFWFLSA-N -1 3 408.901 3.262 50 0 HGAAHM C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012910520 569021495 /nfs/dbraw/zinc/02/14/95/569021495.db2.gz BIGXDZNUFPUCKL-OAHLLOKOSA-N -1 3 415.921 3.401 50 0 HGAAHM COc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1 ZINC000035598114 569045863 /nfs/dbraw/zinc/04/58/63/569045863.db2.gz BBZGQWUCOMTIHY-UHFFFAOYSA-N -1 3 422.470 3.215 50 0 HGAAHM Cc1ccccc1OCCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000013005381 569049627 /nfs/dbraw/zinc/04/96/27/569049627.db2.gz TUEWBDFOXLWIDK-UHFFFAOYSA-N -1 3 422.572 3.185 50 0 HGAAHM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)C1 ZINC000036104784 569092634 /nfs/dbraw/zinc/09/26/34/569092634.db2.gz QUXMOPZEVORLNA-DOTOQJQBSA-N -1 3 414.531 3.423 50 0 HGAAHM COC(=O)c1sccc1[N-]C(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000006841161 569151849 /nfs/dbraw/zinc/15/18/49/569151849.db2.gz OEOWVPFSMURNRI-UHFFFAOYSA-N -1 3 403.485 3.203 50 0 HGAAHM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)cc2C1 ZINC000065196210 569194578 /nfs/dbraw/zinc/19/45/78/569194578.db2.gz MOPQUZWROLTWTC-UHFFFAOYSA-N -1 3 410.948 3.175 50 0 HGAAHM CCCCNc1nnc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000006981044 569195670 /nfs/dbraw/zinc/19/56/70/569195670.db2.gz ZXBXVXPBMRLYAM-NSHDSACASA-N -1 3 414.578 3.485 50 0 HGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000013848811 569258033 /nfs/dbraw/zinc/25/80/33/569258033.db2.gz QVWHXYRTMMPPFE-UHFFFAOYSA-N -1 3 402.516 3.441 50 0 HGAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)on1 ZINC000014146085 569258747 /nfs/dbraw/zinc/25/87/47/569258747.db2.gz ULWFLSAPLJDIDT-TVQRCGJNSA-N -1 3 409.851 3.010 50 0 HGAAHM Cc1ccc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)c(Br)c1 ZINC000014372038 569259700 /nfs/dbraw/zinc/25/97/00/569259700.db2.gz PWVZYVJOMBOASA-UHFFFAOYSA-N -1 3 422.304 3.093 50 0 HGAAHM CCOC([O-])=NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000007706275 569301499 /nfs/dbraw/zinc/30/14/99/569301499.db2.gz RMXQBZLIYBEBJM-UHFFFAOYSA-N -1 3 411.389 3.108 50 0 HGAAHM CCOC(=O)[N-]C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000007706275 569301501 /nfs/dbraw/zinc/30/15/01/569301501.db2.gz RMXQBZLIYBEBJM-UHFFFAOYSA-N -1 3 411.389 3.108 50 0 HGAAHM CCOC(=O)c1sc2[n-]c(CSCCC(=O)NC3CCCC3)nc(=O)c2c1C ZINC000007942275 569401986 /nfs/dbraw/zinc/40/19/86/569401986.db2.gz IPOLJUBRWBHYPZ-UHFFFAOYSA-N -1 3 423.560 3.152 50 0 HGAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)nc2n1 ZINC000013110010 569409239 /nfs/dbraw/zinc/40/92/39/569409239.db2.gz BQONXJOBNPUSRI-UHFFFAOYSA-N -1 3 419.470 3.002 50 0 HGAAHM Nc1c([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1ccncc1 ZINC000008726383 571108493 /nfs/dbraw/zinc/10/84/93/571108493.db2.gz QTGRNXRGLIJCPU-QGZVFWFLSA-N -1 3 405.405 3.317 50 0 HGAAHM O=C(CCC[N-]S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1Cl ZINC000008754824 571113047 /nfs/dbraw/zinc/11/30/47/571113047.db2.gz JWFIBWCINZNXLD-UHFFFAOYSA-N -1 3 421.371 3.472 50 0 HGAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccc(F)cc1 ZINC000008768089 571115993 /nfs/dbraw/zinc/11/59/93/571115993.db2.gz JUFPRLFJKZTFPB-MRXNPFEDSA-N -1 3 409.417 3.279 50 0 HGAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n2ncnc2n1 ZINC000039998300 571137339 /nfs/dbraw/zinc/13/73/39/571137339.db2.gz OVSOJGPPNSKYQO-UHFFFAOYSA-N -1 3 416.413 3.255 50 0 HGAAHM C[C@]1(c2cccc(NC(=O)CCCc3nc4ccccc4s3)c2)NC(=O)[N-]C1=O ZINC000040111037 571169269 /nfs/dbraw/zinc/16/92/69/571169269.db2.gz CBOFUIUNGBBFFF-OAQYLSRUSA-N -1 3 408.483 3.312 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 ZINC000008977173 571198264 /nfs/dbraw/zinc/19/82/64/571198264.db2.gz FENJDDSFLJHZHP-UHFFFAOYSA-N -1 3 412.467 3.288 50 0 HGAAHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000040150131 571198489 /nfs/dbraw/zinc/19/84/89/571198489.db2.gz TUYMDAQFJXLWLM-UHFFFAOYSA-N -1 3 400.378 3.203 50 0 HGAAHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000040150861 571199049 /nfs/dbraw/zinc/19/90/49/571199049.db2.gz HVNMKMHZGGBKIW-UHFFFAOYSA-N -1 3 421.906 3.164 50 0 HGAAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040154824 571202111 /nfs/dbraw/zinc/20/21/11/571202111.db2.gz IANPBEJLUPEVGR-GFCCVEGCSA-N -1 3 417.395 3.136 50 0 HGAAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040154824 571202116 /nfs/dbraw/zinc/20/21/16/571202116.db2.gz IANPBEJLUPEVGR-GFCCVEGCSA-N -1 3 417.395 3.136 50 0 HGAAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040154824 571202118 /nfs/dbraw/zinc/20/21/18/571202118.db2.gz IANPBEJLUPEVGR-GFCCVEGCSA-N -1 3 417.395 3.136 50 0 HGAAHM O=C(Nc1cccnc1)c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000009221421 571238478 /nfs/dbraw/zinc/23/84/78/571238478.db2.gz KMLHIGLSMFSVSP-UHFFFAOYSA-N -1 3 421.400 3.230 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccccc1OC ZINC000009260432 571243785 /nfs/dbraw/zinc/24/37/85/571243785.db2.gz XZKJPKPWHIRNAJ-GOSISDBHSA-N -1 3 401.488 3.154 50 0 HGAAHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(OC)cc3)c(=O)[n-]2)o1 ZINC000009521992 571265764 /nfs/dbraw/zinc/26/57/64/571265764.db2.gz QMRUQKUJWALAIR-UHFFFAOYSA-N -1 3 412.427 3.202 50 0 HGAAHM CC(C)Oc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000009528480 571266202 /nfs/dbraw/zinc/26/62/02/571266202.db2.gz FAYURCXGDGIRMW-GOSISDBHSA-N -1 3 410.561 3.155 50 0 HGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccc(OC)cc1 ZINC000009968791 571293204 /nfs/dbraw/zinc/29/32/04/571293204.db2.gz HBZPDTMKEUIPFA-IBGZPJMESA-N -1 3 401.488 3.154 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010429325 571302464 /nfs/dbraw/zinc/30/24/64/571302464.db2.gz CZKXLKFAWCGOHC-SFHVURJKSA-N -1 3 407.561 3.290 50 0 HGAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)nc2)c(C)c1C ZINC000008705466 132332280 /nfs/dbraw/zinc/33/22/80/132332280.db2.gz RCDTYCRMUPWPNK-UHFFFAOYSA-N -1 3 402.564 3.176 50 0 HGAAHM CCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000000675727 557052652 /nfs/dbraw/zinc/05/26/52/557052652.db2.gz CCXUALFOLDVCQU-UHFFFAOYSA-N -1 3 421.544 3.499 50 0 HGAAHM CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000001060168 557163328 /nfs/dbraw/zinc/16/33/28/557163328.db2.gz LHCZJURZWCADTN-CLAHSXSESA-N -1 3 413.268 3.133 50 0 HGAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1 ZINC000001072983 557170883 /nfs/dbraw/zinc/17/08/83/557170883.db2.gz ODZBEPDWPRBBFT-UHFFFAOYSA-N -1 3 414.483 3.392 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1 ZINC000001230599 557249414 /nfs/dbraw/zinc/24/94/14/557249414.db2.gz ZFHCNBFEFWPNGV-UHFFFAOYSA-N -1 3 403.241 3.409 50 0 HGAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)NC2CCCCC2)c(OC)c1)C(F)(F)F ZINC000002870552 557414667 /nfs/dbraw/zinc/41/46/67/557414667.db2.gz DPWSZACORYXCFS-GOSISDBHSA-N -1 3 418.412 3.462 50 0 HGAAHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002875240 557416543 /nfs/dbraw/zinc/41/65/43/557416543.db2.gz RYFSZVNLYKTFOU-UHFFFAOYSA-N -1 3 414.936 3.066 50 0 HGAAHM CCOC(=O)[C@]([N-]c1cc(C)on1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103416 557447046 /nfs/dbraw/zinc/44/70/46/557447046.db2.gz FXMCMSMQCNIKKN-HNNXBMFYSA-N -1 3 405.760 3.300 50 0 HGAAHM CCOc1cc(Br)c(Br)c(/C=C2\SC(=N)NC2=O)c1[O-] ZINC000034828144 557465837 /nfs/dbraw/zinc/46/58/37/557465837.db2.gz OOXVSCBRKNTCNN-BAQGIRSFSA-N -1 3 422.098 3.455 50 0 HGAAHM O=S(=O)([N-]CCSCc1c(F)cccc1Cl)c1cccc2nonc21 ZINC000004324592 557541622 /nfs/dbraw/zinc/54/16/22/557541622.db2.gz YVZZCPKWFMPUEG-UHFFFAOYSA-N -1 3 401.872 3.227 50 0 HGAAHM CCc1nc2sc([C@@H](c3ccccc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853582 557840333 /nfs/dbraw/zinc/84/03/33/557840333.db2.gz LIXFGNXNBVCYMM-MRXNPFEDSA-N -1 3 400.504 3.033 50 0 HGAAHM CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854073 557840896 /nfs/dbraw/zinc/84/08/96/557840896.db2.gz DJMNAXBAAVCEPT-INIZCTEOSA-N -1 3 418.494 3.126 50 0 HGAAHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C)cc(I)c1[O-] ZINC000012632276 558442396 /nfs/dbraw/zinc/44/23/96/558442396.db2.gz AZNNUGVHHOUCCS-OAHLLOKOSA-N -1 3 410.211 3.202 50 0 HGAAHM Cc1ccc(OC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)c(C)c1 ZINC000021885398 558454012 /nfs/dbraw/zinc/45/40/12/558454012.db2.gz IGIZKKICCNETMY-UHFFFAOYSA-N -1 3 406.467 3.399 50 0 HGAAHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000072074496 558455306 /nfs/dbraw/zinc/45/53/06/558455306.db2.gz WXPCRUXAMLFZEI-UHFFFAOYSA-N -1 3 400.422 3.326 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCn3ccnc3)c2C)cc1 ZINC000013679534 558565774 /nfs/dbraw/zinc/56/57/74/558565774.db2.gz XBVUATREGUHNFS-UHFFFAOYSA-N -1 3 412.515 3.121 50 0 HGAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000024193287 558591666 /nfs/dbraw/zinc/59/16/66/558591666.db2.gz PYDDNIWCPKKOEO-SFHVURJKSA-N -1 3 415.342 3.345 50 0 HGAAHM N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)[O-] ZINC000013831242 558596555 /nfs/dbraw/zinc/59/65/55/558596555.db2.gz BNYDDAAZMBUFRG-ZDUSSCGKSA-N -1 3 415.190 3.260 50 0 in-vitro HGAAHM Cc1cc(C)n(-c2oc(-c3ccc(C)cc3)nc2C(=O)[N-]c2ncnc3[nH]cnc32)n1 ZINC000072238510 558638018 /nfs/dbraw/zinc/63/80/18/558638018.db2.gz JTCUSFSJVSCORN-UHFFFAOYSA-N -1 3 414.429 3.371 50 0 HGAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C)cc(C)c1 ZINC000014226779 558638797 /nfs/dbraw/zinc/63/87/97/558638797.db2.gz NQWFASIYZCSQSO-QGZVFWFLSA-N -1 3 410.536 3.481 50 0 HGAAHM CN(C)S(=O)(=O)c1cccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000014231187 558639920 /nfs/dbraw/zinc/63/99/20/558639920.db2.gz LWVUTHCXHVGYPJ-UHFFFAOYSA-N -1 3 404.879 3.233 50 0 HGAAHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000025516019 558642498 /nfs/dbraw/zinc/64/24/98/558642498.db2.gz XYHGXXHWWBKPRQ-UHFFFAOYSA-N -1 3 420.441 3.391 50 0 HGAAHM O=C(N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C1(c2ccccc2)CCC1 ZINC000026114869 558655713 /nfs/dbraw/zinc/65/57/13/558655713.db2.gz UPLJTGILJJSAFS-UHFFFAOYSA-N -1 3 404.557 3.139 50 0 HGAAHM COc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000027065246 558669313 /nfs/dbraw/zinc/66/93/13/558669313.db2.gz LLRURXMYSNXIGO-UHFFFAOYSA-N -1 3 420.918 3.382 50 0 HGAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)Cc1nc2ccccc2s1 ZINC000072274540 558699796 /nfs/dbraw/zinc/69/97/96/558699796.db2.gz KKTNPMYMKPXULO-UHFFFAOYSA-N -1 3 419.510 3.341 50 0 HGAAHM CCc1cc2c(ncn([N-]C(=O)COc3ccc(Oc4ccccn4)cc3)c2=O)s1 ZINC000029069464 558709212 /nfs/dbraw/zinc/70/92/12/558709212.db2.gz FKWSNEMUGZQEME-UHFFFAOYSA-N -1 3 422.466 3.357 50 0 HGAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(F)cc3s2)n1 ZINC000016753808 558805368 /nfs/dbraw/zinc/80/53/68/558805368.db2.gz MSLLCIXSOIPRMD-UHFFFAOYSA-N -1 3 414.871 3.315 50 0 HGAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(N2CCc3ccccc3C2)n1 ZINC000039383696 558820618 /nfs/dbraw/zinc/82/06/18/558820618.db2.gz HVMXUEPCNKUEHL-UHFFFAOYSA-N -1 3 416.529 3.334 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@@H](c2ccc(OC)cc2)C1 ZINC000072314561 558847048 /nfs/dbraw/zinc/84/70/48/558847048.db2.gz MQCAQWALGKYGMD-HXUWFJFHSA-N -1 3 401.488 3.154 50 0 HGAAHM O=C([O-])[C@@H](CC(=O)Nc1cccc2ncccc21)CN1CCN(c2ccccc2)CC1 ZINC000072405406 558983854 /nfs/dbraw/zinc/98/38/54/558983854.db2.gz WDSQAEKDFOMGIO-SFHVURJKSA-N -1 3 418.497 3.086 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1C(C)C ZINC000067621763 558989684 /nfs/dbraw/zinc/98/96/84/558989684.db2.gz ATOIMAFJKFMQDF-UHFFFAOYSA-N -1 3 403.548 3.371 50 0 HGAAHM Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000011574671 559111374 /nfs/dbraw/zinc/11/13/74/559111374.db2.gz WNSIDAINQCLBFT-HNNXBMFYSA-N -1 3 405.495 3.040 50 0 HGAAHM COc1ccc(C)cc1NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1cccs1 ZINC000004909133 559201242 /nfs/dbraw/zinc/20/12/42/559201242.db2.gz IONXQEVDJODSBB-CYBMUJFWSA-N -1 3 414.574 3.104 50 0 HGAAHM Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc([O-])cc1 ZINC000005061186 559239593 /nfs/dbraw/zinc/23/95/93/559239593.db2.gz JFMBBILWHJWYPN-UHFFFAOYSA-N -1 3 411.195 3.101 50 0 HGAAHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000826182 559281611 /nfs/dbraw/zinc/28/16/11/559281611.db2.gz MRBDKZFDDAYAKT-UHFFFAOYSA-N -1 3 421.478 3.354 50 0 HGAAHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c2cccnc12 ZINC000103160184 560840273 /nfs/dbraw/zinc/84/02/73/560840273.db2.gz YKTZIBZBYIODPF-UHFFFAOYSA-N -1 3 403.847 3.328 50 0 HGAAHM Cc1ccc(C)c(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)c1 ZINC000051316678 560856550 /nfs/dbraw/zinc/85/65/50/560856550.db2.gz NYEUQEXICRQHOQ-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM Cc1ccc(C)c(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)c1 ZINC000051316678 560856552 /nfs/dbraw/zinc/85/65/52/560856552.db2.gz NYEUQEXICRQHOQ-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 HGAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000047032806 560879889 /nfs/dbraw/zinc/87/98/89/560879889.db2.gz PONZQJLXKHCDRY-GFCCVEGCSA-N -1 3 407.330 3.231 50 0 HGAAHM O=S(=O)([N-][C@H](CN1CCOCC1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000014871093 560880185 /nfs/dbraw/zinc/88/01/85/560880185.db2.gz NZNVUURCIUCYGZ-QGZVFWFLSA-N -1 3 415.342 3.345 50 0 HGAAHM Cc1nc(COc2ccc(C(=O)OCC(=O)[N-]c3cc(C(C)(C)C)no3)cc2)no1 ZINC000012076354 560888664 /nfs/dbraw/zinc/88/86/64/560888664.db2.gz DKOBIMLQWXGSDW-UHFFFAOYSA-N -1 3 414.418 3.038 50 0 HGAAHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c([O-])c1 ZINC000095349005 568600407 /nfs/dbraw/zinc/60/04/07/568600407.db2.gz SUTXRJAUPGHEGZ-UHFFFAOYSA-N -1 3 423.444 3.463 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OC(=O)c3ccccc3F)c2)S1 ZINC000020896602 568649100 /nfs/dbraw/zinc/64/91/00/568649100.db2.gz JEANLXMRLRVVJT-KRWDZBQOSA-N -1 3 401.419 3.046 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCOc3ccccc3C)c2)S1 ZINC000020896482 568649195 /nfs/dbraw/zinc/64/91/95/568649195.db2.gz CPKCSICBYKJFBQ-FQEVSTJZSA-N -1 3 413.499 3.454 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H]3CCCCNC3=O)cc2)cc1 ZINC000225602791 568656168 /nfs/dbraw/zinc/65/61/68/568656168.db2.gz KVUWHAGKNIQQHM-MRXNPFEDSA-N -1 3 415.515 3.041 50 0 HGAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)c(OC)c1 ZINC000096116851 568696339 /nfs/dbraw/zinc/69/63/39/568696339.db2.gz CYWMRHFBEPNAGO-KRWDZBQOSA-N -1 3 421.544 3.449 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000096396293 568744858 /nfs/dbraw/zinc/74/48/58/568744858.db2.gz VHRRDSXNUAZQDA-MRXNPFEDSA-N -1 3 408.907 3.049 50 0 HGAAHM O=C(NCc1cccc2ccccc21)N[C@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225637964 568777953 /nfs/dbraw/zinc/77/79/53/568777953.db2.gz UTKYTORFYKUBEK-HXUWFJFHSA-N -1 3 403.438 3.359 50 0 HGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCc4ccccc42)[n-]c3=O)cc1 ZINC000002717914 568802692 /nfs/dbraw/zinc/80/26/92/568802692.db2.gz SYVNKIZRRXOMHI-UHFFFAOYSA-N -1 3 417.494 3.099 50 0 HGAAHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)c1ccccc1OC(F)(F)F ZINC000012537822 568846222 /nfs/dbraw/zinc/84/62/22/568846222.db2.gz SHVNKWGOGXYDIB-UHFFFAOYSA-N -1 3 401.288 3.304 50 0 HGAAHM Cc1cc(=NC(=O)C2=CC(c3ccc(Cl)cc3)N=N2)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159236 568863072 /nfs/dbraw/zinc/86/30/72/568863072.db2.gz WADXVFHNDRWPKD-KUUDJTQBSA-N -1 3 419.894 3.272 50 0 HGAAHM COc1cc(OC)cc(C(=O)OCc2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)c1 ZINC000003271299 568870491 /nfs/dbraw/zinc/87/04/91/568870491.db2.gz OCFLPVNOAOBEHY-LLVKDONJSA-N -1 3 414.483 3.484 50 0 HGAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccs1 ZINC000058062250 568881910 /nfs/dbraw/zinc/88/19/10/568881910.db2.gz WORRQIPEVGQASW-GOSISDBHSA-N -1 3 417.556 3.183 50 0 HGAAHM Cc1cccc(-n2c(=O)c([C@@H]3NCCc4c5ccccc5[nH]c43)c([O-])[nH]c2=S)c1 ZINC000001318071 568913997 /nfs/dbraw/zinc/91/39/97/568913997.db2.gz KJCATAWQFHHVIF-IBGZPJMESA-N -1 3 404.495 3.252 50 0 biogenic HGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000004317579 568962587 /nfs/dbraw/zinc/96/25/87/568962587.db2.gz FANZVGZMPDICJS-UHFFFAOYSA-N -1 3 415.393 3.005 50 0 HGAAHM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000015862877 569016072 /nfs/dbraw/zinc/01/60/72/569016072.db2.gz CBNBTZROCLJQSW-UHFFFAOYSA-N -1 3 402.457 3.030 50 0 HGAAHM CN(c1ccc(OCC(=O)Nc2ccccc2[O-])cc1)S(=O)(=O)c1cccs1 ZINC000012913998 569022063 /nfs/dbraw/zinc/02/20/63/569022063.db2.gz VVIHKCOKHRCNAE-UHFFFAOYSA-N -1 3 418.496 3.296 50 0 HGAAHM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000012926056 569023742 /nfs/dbraw/zinc/02/37/42/569023742.db2.gz WWMQZRMZCAGNJP-KBPBESRZSA-N -1 3 408.907 3.390 50 0 HGAAHM COC(=O)c1cn(-c2ccc([O-])c(-c3nc4ccccc4s3)c2)cc2c(=O)[nH]nc1-2 ZINC000253410284 569051392 /nfs/dbraw/zinc/05/13/92/569051392.db2.gz NDMHHEXGGAWFOZ-UHFFFAOYSA-N -1 3 418.434 3.434 50 0 HGAAHM COc1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000001803639 569053478 /nfs/dbraw/zinc/05/34/78/569053478.db2.gz OQHIGQNYZKAIPR-GDBMZVCRSA-N -1 3 417.259 3.333 50 0 biogenic HGAAHM C[C@H](Cc1ccc2c(c1)CCO2)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000225602838 569073732 /nfs/dbraw/zinc/07/37/32/569073732.db2.gz HNZPRFYKAASFBY-SNVBAGLBSA-N -1 3 402.335 3.355 50 0 HGAAHM CCOC(=O)c1[n-]nc(-c2cc(CC)c(O)cc2O)c1-c1nncn1-c1ccccc1 ZINC000006648603 569080998 /nfs/dbraw/zinc/08/09/98/569080998.db2.gz IDNMSYALMDLWDL-UHFFFAOYSA-N -1 3 419.441 3.475 50 0 HGAAHM CCOC(=O)c1n[n-]c(-c2cc(CC)c(O)cc2O)c1-c1nncn1-c1ccccc1 ZINC000006648603 569080999 /nfs/dbraw/zinc/08/09/99/569080999.db2.gz IDNMSYALMDLWDL-UHFFFAOYSA-N -1 3 419.441 3.475 50 0 HGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]C3CCCCCC3)c2)o1)N1CCCC1 ZINC000065098762 569176907 /nfs/dbraw/zinc/17/69/07/569176907.db2.gz RXPAEAPLTXHAED-UHFFFAOYSA-N -1 3 424.548 3.035 50 0 HGAAHM O=C(c1nnc(-c2csc(S(=O)(=O)[N-]C3CCCCC3)c2)o1)N1CCCCC1 ZINC000065098915 569176947 /nfs/dbraw/zinc/17/69/47/569176947.db2.gz CGDOPBCNXINADA-UHFFFAOYSA-N -1 3 424.548 3.035 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1 ZINC000065241508 569204207 /nfs/dbraw/zinc/20/42/07/569204207.db2.gz PHWVPHGXPJJPQN-UHFFFAOYSA-N -1 3 411.439 3.273 50 0 HGAAHM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1C ZINC000007056817 569214538 /nfs/dbraw/zinc/21/45/38/569214538.db2.gz MSMQXTJHZXISHW-UHFFFAOYSA-N -1 3 410.561 3.443 50 0 HGAAHM O=S(=O)([N-]CCN1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000036700129 569222449 /nfs/dbraw/zinc/22/24/49/569222449.db2.gz LLIDONQTMQHGFJ-KRWDZBQOSA-N -1 3 415.342 3.345 50 0 HGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(C)c2)cc1C ZINC000007362138 569235323 /nfs/dbraw/zinc/23/53/23/569235323.db2.gz PORBACJBRDNVCV-UHFFFAOYSA-N -1 3 402.516 3.414 50 0 HGAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)on1 ZINC000014146084 569258724 /nfs/dbraw/zinc/25/87/24/569258724.db2.gz ULWFLSAPLJDIDT-NOZJJQNGSA-N -1 3 409.851 3.010 50 0 HGAAHM O=S(=O)([N-]CCc1csc2nc(-c3cccs3)nn12)c1ccccc1F ZINC000016837578 569263415 /nfs/dbraw/zinc/26/34/15/569263415.db2.gz MTCFTVMBPFUKPM-UHFFFAOYSA-N -1 3 408.505 3.179 50 0 HGAAHM O=S(=O)([N-]C[C@H]1CCCN1c1ccccc1)c1ccc(Br)s1 ZINC000207993471 569285688 /nfs/dbraw/zinc/28/56/88/569285688.db2.gz PEAQSCHHLXOZSB-CYBMUJFWSA-N -1 3 401.351 3.458 50 0 HGAAHM C[C@@]1(c2cccc(NS(=O)(=O)CCCOCc3ccccc3)c2)NC(=O)[N-]C1=O ZINC000328595705 569415923 /nfs/dbraw/zinc/41/59/23/569415923.db2.gz BMNICRDBYFFCNN-FQEVSTJZSA-N -1 3 417.487 3.135 50 0 HGAAHM Cc1nsc(N2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)n1 ZINC000078947268 569421940 /nfs/dbraw/zinc/42/19/40/569421940.db2.gz ACRPOCQBMVNKNH-UHFFFAOYSA-N -1 3 408.527 3.495 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)c3ccc(C4SCCS4)cc3)c2)NC(=O)[N-]C1=O ZINC000040110845 571168978 /nfs/dbraw/zinc/16/89/78/571168978.db2.gz XBONTYCPOGSCIG-FQEVSTJZSA-N -1 3 413.524 3.472 50 0 HGAAHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C)nc1 ZINC000040119650 571175790 /nfs/dbraw/zinc/17/57/90/571175790.db2.gz NYQCGJLNQIBOHR-UHFFFAOYSA-N -1 3 405.701 3.293 50 0 HGAAHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 ZINC000008962383 571190021 /nfs/dbraw/zinc/19/00/21/571190021.db2.gz AGLUSXXIPANMCQ-UHFFFAOYSA-N -1 3 401.488 3.053 50 0 HGAAHM C[C@@H](Oc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cn1)c1ccccc1 ZINC000040143674 571194156 /nfs/dbraw/zinc/19/41/56/571194156.db2.gz FBXABZKAASHUFF-OAHLLOKOSA-N -1 3 408.458 3.121 50 0 HGAAHM O=C1C[C@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(F)cc1 ZINC000009036478 571213430 /nfs/dbraw/zinc/21/34/30/571213430.db2.gz IWDQXBWIGBPGAP-GFCCVEGCSA-N -1 3 416.396 3.176 50 0 HGAAHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040267230 571214246 /nfs/dbraw/zinc/21/42/46/571214246.db2.gz YVUQAQDNLYXGAZ-LBPRGKRZSA-N -1 3 409.833 3.231 50 0 HGAAHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)OC(C)(C)C)CC2)[n-]c3=O)cc1 ZINC000009195517 571236003 /nfs/dbraw/zinc/23/60/03/571236003.db2.gz NHLFNWPJTSOOPU-UHFFFAOYSA-N -1 3 424.505 3.398 50 0 HGAAHM C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000009377784 571253132 /nfs/dbraw/zinc/25/31/32/571253132.db2.gz JOSCAOFRDBOIJJ-AWEZNQCLSA-N -1 3 405.483 3.078 50 0 HGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccc2ncccc2c1 ZINC000009378557 571253492 /nfs/dbraw/zinc/25/34/92/571253492.db2.gz YHNOKULOXQVCFF-NRFANRHFSA-N -1 3 408.483 3.304 50 0 HGAAHM COc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000009490752 571262795 /nfs/dbraw/zinc/26/27/95/571262795.db2.gz SOBFLQKXZZPEJJ-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 HGAAHM COc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000009490752 571262796 /nfs/dbraw/zinc/26/27/96/571262796.db2.gz SOBFLQKXZZPEJJ-UHFFFAOYSA-N -1 3 421.482 3.157 50 0 HGAAHM Cc1cc(S(=O)(=O)[N-]CC2CCN(c3cnccn3)CC2)c(Cl)cc1Cl ZINC000070923175 571281938 /nfs/dbraw/zinc/28/19/38/571281938.db2.gz NNPVTXUGOYOWMW-UHFFFAOYSA-N -1 3 415.346 3.287 50 0 HGAAHM COC(=O)c1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2[O-])cc1 ZINC000010166774 571295665 /nfs/dbraw/zinc/29/56/65/571295665.db2.gz KWMIFXCIGDGASN-UHFFFAOYSA-N -1 3 402.410 3.061 50 0 HGAAHM O=C(c1cccc([O-])c1)N1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000078406309 571313416 /nfs/dbraw/zinc/31/34/16/571313416.db2.gz LHLKZXDWHMFWAM-UHFFFAOYSA-N -1 3 418.415 3.427 50 0 HGAAHM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1NC(C)=O ZINC000005601980 132307061 /nfs/dbraw/zinc/30/70/61/132307061.db2.gz APZNOBYBCLANRI-UHFFFAOYSA-N -1 3 403.504 3.445 50 0 HGAAHM O=c1nc(CN2CCN(c3ccccc3O)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000007674319 132325305 /nfs/dbraw/zinc/32/53/05/132325305.db2.gz NFRCDBZLQADNTE-UHFFFAOYSA-N -1 3 408.483 3.272 50 0 HGAAHM CCCCCCc1c(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c1=O ZINC000009484273 132340419 /nfs/dbraw/zinc/34/04/19/132340419.db2.gz AEBNWBGYQJVYNV-UHFFFAOYSA-N -1 3 412.534 3.252 50 0 HGAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3CCOCC3)cc2[O-])cc1 ZINC000020592055 523076964 /nfs/dbraw/zinc/07/69/64/523076964.db2.gz NIPGIHSVDXHMBO-UHFFFAOYSA-N -1 3 409.486 3.477 50 0 HGAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000032843821 527426787 /nfs/dbraw/zinc/42/67/87/527426787.db2.gz MWEACOGTDFFOHI-UHFFFAOYSA-N -1 3 421.501 3.192 50 0 HGAAHM O=C([N-]n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1ccncc1 ZINC000040397341 527541153 /nfs/dbraw/zinc/54/11/53/527541153.db2.gz CRFDFTOPOBGZGX-UHFFFAOYSA-N -1 3 416.828 3.144 50 0 HGAAHM COC(=O)c1sc([N-]C(=O)c2ccc(Br)o2)c(C(=O)OC)c1C ZINC000000995221 557137294 /nfs/dbraw/zinc/13/72/94/557137294.db2.gz PRRLTFPTKCPDIZ-UHFFFAOYSA-N -1 3 402.222 3.238 50 0 HGAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2)C1=O)c1ccccc1Cl ZINC000002373586 557341521 /nfs/dbraw/zinc/34/15/21/557341521.db2.gz GDTXFAZMKHXJPY-QGZVFWFLSA-N -1 3 411.767 3.285 50 0 HGAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)COc2ccccc2)cc1)C(F)(F)F ZINC000002900758 557424632 /nfs/dbraw/zinc/42/46/32/557424632.db2.gz HXWYOVUYHFYTPA-IBGZPJMESA-N -1 3 411.376 3.041 50 0 HGAAHM O=C([N-]C1=NCCS1)[C@H](NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043491 557629082 /nfs/dbraw/zinc/62/90/82/557629082.db2.gz FMRBFQUKWVQMDL-CONPEVPGSA-N -1 3 403.592 3.487 50 0 HGAAHM COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1[O-] ZINC000009260552 557833242 /nfs/dbraw/zinc/83/32/42/557833242.db2.gz DJDZLHINUZJKPA-VGOFMYFVSA-N -1 3 421.222 3.395 50 0 HGAAHM CCc1nc2sc([C@H](c3ccccc3F)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854066 557840483 /nfs/dbraw/zinc/84/04/83/557840483.db2.gz LEZDCEBGKDOQIH-INIZCTEOSA-N -1 3 418.494 3.126 50 0 HGAAHM CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854080 557840832 /nfs/dbraw/zinc/84/08/32/557840832.db2.gz KDBGTGKCXKCSHI-INIZCTEOSA-N -1 3 418.494 3.126 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1csc(-c2ccccn2)n1 ZINC000019942430 558314076 /nfs/dbraw/zinc/31/40/76/558314076.db2.gz VLOSAQRJLDBWHW-UHFFFAOYSA-N -1 3 409.920 3.388 50 0 HGAAHM Cc1ccccc1C(=O)N[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000012463028 558419629 /nfs/dbraw/zinc/41/96/29/558419629.db2.gz MUJKYIZCVHUAIO-HNNXBMFYSA-N -1 3 406.813 3.245 50 0 HGAAHM CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)n2)cc1 ZINC000012745051 558457861 /nfs/dbraw/zinc/45/78/61/558457861.db2.gz NQLRCZBXYDRTDC-UHFFFAOYSA-N -1 3 411.487 3.040 50 0 HGAAHM CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012795332 558468119 /nfs/dbraw/zinc/46/81/19/558468119.db2.gz ITKYIHBPSPLISQ-HNNXBMFYSA-N -1 3 424.501 3.028 50 0 HGAAHM O=C(Nc1ncccc1[O-])C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000022264219 558474891 /nfs/dbraw/zinc/47/48/91/558474891.db2.gz RCMUEUOPIACNFC-UHFFFAOYSA-N -1 3 404.264 3.041 50 0 HGAAHM O=c1[n-]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCc3cc(-c4ccco4)on3)c12 ZINC000022419074 558488578 /nfs/dbraw/zinc/48/85/78/558488578.db2.gz IKFMNTMYYDTNEO-UHFFFAOYSA-N -1 3 423.454 3.232 50 0 HGAAHM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3Cl)ccc21 ZINC000012969342 558488633 /nfs/dbraw/zinc/48/86/33/558488633.db2.gz PXSAMCPRAVLZEJ-UHFFFAOYSA-N -1 3 415.696 3.422 50 0 HGAAHM O=C(Nc1ccccc1[O-])c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000012972875 558489589 /nfs/dbraw/zinc/48/95/89/558489589.db2.gz MBLYNMYFEZRCTE-UHFFFAOYSA-N -1 3 414.508 3.453 50 0 HGAAHM Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c([O-])c1 ZINC000013000941 558500424 /nfs/dbraw/zinc/50/04/24/558500424.db2.gz GQBWJERPZMMPSC-UHFFFAOYSA-N -1 3 420.395 3.012 50 0 HGAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000013062323 558509930 /nfs/dbraw/zinc/50/99/30/558509930.db2.gz BJYVXXZRSWWPEB-AWEZNQCLSA-N -1 3 421.569 3.390 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N(C)[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000013109396 558514820 /nfs/dbraw/zinc/51/48/20/558514820.db2.gz NNPDITMUQOSOIH-TXPKVOOTSA-N -1 3 408.376 3.141 50 0 HGAAHM COc1cc(COC(=O)c2cccc([N-]S(C)(=O)=O)c2)ccc1OC(F)F ZINC000022985882 558528957 /nfs/dbraw/zinc/52/89/57/558528957.db2.gz FQNLZMNQXLXHLR-UHFFFAOYSA-N -1 3 401.387 3.025 50 0 HGAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000023261252 558546939 /nfs/dbraw/zinc/54/69/39/558546939.db2.gz LMSMBCHDXFQWOF-SNVBAGLBSA-N -1 3 406.451 3.443 50 0 HGAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccccc1F ZINC000014094585 558619513 /nfs/dbraw/zinc/61/95/13/558619513.db2.gz LOKPCNKVQAFFCL-LBPRGKRZSA-N -1 3 409.446 3.367 50 0 HGAAHM C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)NC(=O)[N-]C1=O ZINC000024971813 558623280 /nfs/dbraw/zinc/62/32/80/558623280.db2.gz DEANHWUANRTGEH-GHZYGTOFSA-N -1 3 415.559 3.466 50 0 HGAAHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)cc1 ZINC000010613758 558801751 /nfs/dbraw/zinc/80/17/51/558801751.db2.gz BXODLRCHDANSAN-UHFFFAOYSA-N -1 3 422.466 3.196 50 0 HGAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)ccc1Cl ZINC000032976427 558803484 /nfs/dbraw/zinc/80/34/84/558803484.db2.gz UEOIGKWAUGWUFF-UHFFFAOYSA-N -1 3 407.923 3.409 50 0 HGAAHM Cc1c2ccccc2sc1C(=O)COC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000072312586 558838042 /nfs/dbraw/zinc/83/80/42/558838042.db2.gz JKUABAGGVBLLSR-JOCHJYFZSA-N -1 3 422.462 3.304 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCN(C)CC3)c(Cl)c2)cc1 ZINC000067602090 558987859 /nfs/dbraw/zinc/98/78/59/558987859.db2.gz LJRAOVOTJLNLSB-UHFFFAOYSA-N -1 3 421.950 3.273 50 0 HGAAHM O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000067713024 558991882 /nfs/dbraw/zinc/99/18/82/558991882.db2.gz JVKWYCWQUHMWJE-HNNXBMFYSA-N -1 3 405.483 3.166 50 0 HGAAHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCOCC2)cc1 ZINC000023107990 559010706 /nfs/dbraw/zinc/01/07/06/559010706.db2.gz NFDROIHTBTVRFQ-OAHLLOKOSA-N -1 3 400.953 3.062 50 0 HGAAHM COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000023156857 559022710 /nfs/dbraw/zinc/02/27/10/559022710.db2.gz UMFWORAVHKSVQX-INIZCTEOSA-N -1 3 400.504 3.088 50 0 HGAAHM Cc1ccc(C)c(CS(=O)(=O)[N-]c2ccc3nc(S(C)(=O)=O)sc3c2)c1 ZINC000033299010 559048321 /nfs/dbraw/zinc/04/83/21/559048321.db2.gz SCSUHLUFBCVYNC-UHFFFAOYSA-N -1 3 410.542 3.259 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004862962 559193341 /nfs/dbraw/zinc/19/33/41/559193341.db2.gz DFAQYSXEXHQLIA-WBVHZDCISA-N -1 3 402.237 3.317 50 0 HGAAHM O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000004874151 559194856 /nfs/dbraw/zinc/19/48/56/559194856.db2.gz MHIYQDQIZDLUSK-SFHVURJKSA-N -1 3 418.515 3.093 50 0 HGAAHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc21 ZINC000004874104 559194875 /nfs/dbraw/zinc/19/48/75/559194875.db2.gz MQGUICYHTVFYNU-SFHVURJKSA-N -1 3 412.536 3.227 50 0 HGAAHM COc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1Cl ZINC000004879930 559196160 /nfs/dbraw/zinc/19/61/60/559196160.db2.gz KUAJGBKDZFSRRL-OAHLLOKOSA-N -1 3 402.925 3.352 50 0 HGAAHM CCc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000005067948 559240290 /nfs/dbraw/zinc/24/02/90/559240290.db2.gz ICKLIDUKZCQHLW-KRWDZBQOSA-N -1 3 418.544 3.195 50 0 HGAAHM COc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1 ZINC000005342463 560567841 /nfs/dbraw/zinc/56/78/41/560567841.db2.gz OTDYWNCELKEMRM-HXUWFJFHSA-N -1 3 413.861 3.290 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000046074195 568426866 /nfs/dbraw/zinc/42/68/66/568426866.db2.gz CVUKHYVQRIYNKG-GFCCVEGCSA-N -1 3 406.895 3.380 50 0 HGAAHM COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218267692 568477119 /nfs/dbraw/zinc/47/71/19/568477119.db2.gz WDTJSXQKSJZPOT-OAHLLOKOSA-N -1 3 421.877 3.385 50 0 HGAAHM O=C(COc1ccc(Br)cc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000033027842 568510568 /nfs/dbraw/zinc/51/05/68/568510568.db2.gz SPULSCVQQSOICN-IUODEOHRSA-N -1 3 421.213 3.467 50 0 HGAAHM CCCN1C(=O)S/C(=C/c2cc(I)c([O-])c(OC)c2)C1=O ZINC000033293898 568513193 /nfs/dbraw/zinc/51/31/93/568513193.db2.gz RITDCQUKCNOGSE-YRNVUSSQSA-N -1 3 419.240 3.452 50 0 HGAAHM COC(=O)C[C@@H](c1ccnn1C)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095479517 568632382 /nfs/dbraw/zinc/63/23/82/568632382.db2.gz RZITUBSCKAGJJF-ZDUSSCGKSA-N -1 3 418.446 3.205 50 0 HGAAHM CCOc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(C)=O)c1 ZINC000095945869 568663723 /nfs/dbraw/zinc/66/37/23/568663723.db2.gz ZAKLJLQKJHAEMH-FQEVSTJZSA-N -1 3 401.488 3.154 50 0 HGAAHM COc1cc(CNC2(c3nn[n-]n3)CCCC2)cc(Br)c1OC(F)F ZINC000095960133 568669928 /nfs/dbraw/zinc/66/99/28/568669928.db2.gz PMVGIMAFWHKZKE-UHFFFAOYSA-N -1 3 418.242 3.131 50 0 HGAAHM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998654 568679847 /nfs/dbraw/zinc/67/98/47/568679847.db2.gz UIAZBUDMSBJNIW-OAHLLOKOSA-N -1 3 404.536 3.099 50 0 HGAAHM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998654 568679848 /nfs/dbraw/zinc/67/98/48/568679848.db2.gz UIAZBUDMSBJNIW-OAHLLOKOSA-N -1 3 404.536 3.099 50 0 HGAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc1OC ZINC000096116699 568696174 /nfs/dbraw/zinc/69/61/74/568696174.db2.gz YSUKAXRDIXLYJY-KRWDZBQOSA-N -1 3 421.544 3.449 50 0 HGAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)cc1 ZINC000003022244 568726765 /nfs/dbraw/zinc/72/67/65/568726765.db2.gz XNSKROXJJBRAGY-QGZVFWFLSA-N -1 3 406.479 3.098 50 0 HGAAHM CCNC(=O)N(Cc1nc(CC)c(Cc2ccc(OC)cc2)c(=O)[n-]1)CC(C)C ZINC000096317644 568726901 /nfs/dbraw/zinc/72/69/01/568726901.db2.gz ZRMZCXMBXQBRGN-UHFFFAOYSA-N -1 3 400.523 3.119 50 0 HGAAHM Cc1cccc(CNC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)c1 ZINC000096399464 568748008 /nfs/dbraw/zinc/74/80/08/568748008.db2.gz XSFLRSLDEZLKHE-UHFFFAOYSA-N -1 3 421.569 3.385 50 0 HGAAHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000003103638 568855488 /nfs/dbraw/zinc/85/54/88/568855488.db2.gz FCUZSCLKVKLHLP-SFHVURJKSA-N -1 3 414.355 3.498 50 0 HGAAHM O=C([N-]c1nnc(C2CC2)s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003428226 568859040 /nfs/dbraw/zinc/85/90/40/568859040.db2.gz VLJLAPNGLDWWCW-UHFFFAOYSA-N -1 3 411.464 3.045 50 0 HGAAHM CSc1nnc(C[N-]S(=O)(=O)c2ccccc2Cl)n1-c1ccccc1C ZINC000299772592 568874328 /nfs/dbraw/zinc/87/43/28/568874328.db2.gz CROYBYXNYYJMRV-UHFFFAOYSA-N -1 3 408.936 3.430 50 0 HGAAHM Cc1csc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000012736430 568925504 /nfs/dbraw/zinc/92/55/04/568925504.db2.gz RGKBCAYIYGYTHV-MRXNPFEDSA-N -1 3 419.503 3.119 50 0 HGAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(Br)cc2)N1 ZINC000004199517 568951376 /nfs/dbraw/zinc/95/13/76/568951376.db2.gz ZVESGXNHOMLVDS-AWEZNQCLSA-N -1 3 422.201 3.027 50 0 HGAAHM CCCCCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000012743016 568930060 /nfs/dbraw/zinc/93/00/60/568930060.db2.gz ZILHTOFPOMPGTN-LJQANCHMSA-N -1 3 406.523 3.412 50 0 HGAAHM Cc1ccc(-c2nc(C(=O)[N-]c3ncnc4c3c(Br)nn4C)cs2)o1 ZINC000084195532 568944451 /nfs/dbraw/zinc/94/44/51/568944451.db2.gz RJEIXKVRBXCLFF-UHFFFAOYSA-N -1 3 419.264 3.403 50 0 HGAAHM Cc1ccc(N2C(=O)[C@H](C)NC2=S)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000015569899 568950703 /nfs/dbraw/zinc/95/07/03/568950703.db2.gz UIABAWXKQVYLJS-NSHDSACASA-N -1 3 409.920 3.059 50 0 HGAAHM CCc1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012774826 568953732 /nfs/dbraw/zinc/95/37/32/568953732.db2.gz BIUWKRHMLWCXJZ-QGZVFWFLSA-N -1 3 409.530 3.483 50 0 HGAAHM COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000012813535 568987729 /nfs/dbraw/zinc/98/77/29/568987729.db2.gz URXLVZRIJAKLCI-UHFFFAOYSA-N -1 3 414.425 3.380 50 0 HGAAHM COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000012813535 568987730 /nfs/dbraw/zinc/98/77/30/568987730.db2.gz URXLVZRIJAKLCI-UHFFFAOYSA-N -1 3 414.425 3.380 50 0 HGAAHM Cc1cccn2c(=O)cc(COc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nc12 ZINC000015865431 569016666 /nfs/dbraw/zinc/01/66/66/569016666.db2.gz MHKPWTUPWBUWGR-UHFFFAOYSA-N -1 3 421.478 3.383 50 0 HGAAHM NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000035286876 569017556 /nfs/dbraw/zinc/01/75/56/569017556.db2.gz NYKCGQPPVNSSHD-HNNXBMFYSA-N -1 3 422.535 3.125 50 0 HGAAHM NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000035400235 569035443 /nfs/dbraw/zinc/03/54/43/569035443.db2.gz KOEZELIRVBMDSE-SFHVURJKSA-N -1 3 416.506 3.064 50 0 HGAAHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]Cc1nc(C2CCSCC2)no1 ZINC000575615770 569036413 /nfs/dbraw/zinc/03/64/13/569036413.db2.gz FYOYCRQYEUERAN-UHFFFAOYSA-N -1 3 421.466 3.319 50 0 HGAAHM O=c1[nH]c2c(c([O-])c1-c1ccccc1)c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1 ZINC000000704367 569048850 /nfs/dbraw/zinc/04/88/50/569048850.db2.gz HLBWWKONOFXPNJ-UHFFFAOYSA-N -1 3 423.428 3.203 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N(C)[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000245246783 569055356 /nfs/dbraw/zinc/05/53/56/569055356.db2.gz NNPDITMUQOSOIH-JTDSTZFVSA-N -1 3 408.376 3.141 50 0 HGAAHM Cc1ccccc1-n1c(=O)c([C@H]2NCCc3c4ccccc4[nH]c32)c([O-])[nH]c1=S ZINC000001850076 569056569 /nfs/dbraw/zinc/05/65/69/569056569.db2.gz URJSDWPFBDPTKH-LJQANCHMSA-N -1 3 404.495 3.252 50 0 biogenic HGAAHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(OC)ccc3OC)c(C)o2)cc1 ZINC000064817852 569101068 /nfs/dbraw/zinc/10/10/68/569101068.db2.gz RSVBTIMEDNKUNF-UHFFFAOYSA-N -1 3 418.471 3.154 50 0 HGAAHM Cc1nnc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(Br)c3)s2)o1 ZINC000064920131 569121073 /nfs/dbraw/zinc/12/10/73/569121073.db2.gz GIIMWOVDOYIBOF-UHFFFAOYSA-N -1 3 414.306 3.348 50 0 HGAAHM O=S(=O)([N-]CCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1F ZINC000036700412 569222799 /nfs/dbraw/zinc/22/27/99/569222799.db2.gz HREACJLTMVSBDG-LJQANCHMSA-N -1 3 410.486 3.097 50 0 HGAAHM COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2[O-])c(OC)c1 ZINC000007424068 569238034 /nfs/dbraw/zinc/23/80/34/569238034.db2.gz YCDMQMLSPRXCOD-UHFFFAOYSA-N -1 3 404.426 3.292 50 0 HGAAHM COc1ccc(CCS(=O)(=O)[N-]C[C@](O)(c2ccsc2)c2cccs2)cc1 ZINC000240122681 569240116 /nfs/dbraw/zinc/24/01/16/569240116.db2.gz WGWGRQYEXOISHC-IBGZPJMESA-N -1 3 423.581 3.216 50 0 HGAAHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)N(C)C)cc1 ZINC000170603994 569244149 /nfs/dbraw/zinc/24/41/49/569244149.db2.gz QFQKUZZOWGTKCF-MRXNPFEDSA-N -1 3 401.454 3.244 50 0 HGAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814255 569312689 /nfs/dbraw/zinc/31/26/89/569312689.db2.gz KDZJXGFIUOVUDI-CYBMUJFWSA-N -1 3 419.938 3.480 50 0 HGAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814255 569312690 /nfs/dbraw/zinc/31/26/90/569312690.db2.gz KDZJXGFIUOVUDI-CYBMUJFWSA-N -1 3 419.938 3.480 50 0 HGAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007814255 569312691 /nfs/dbraw/zinc/31/26/91/569312691.db2.gz KDZJXGFIUOVUDI-CYBMUJFWSA-N -1 3 419.938 3.480 50 0 HGAAHM CCOC(=O)[C@@]([N-]c1ccc(Cl)cc1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000002306174 569372404 /nfs/dbraw/zinc/37/24/04/569372404.db2.gz LAJXPDYRQBTCJZ-MRXNPFEDSA-N -1 3 401.772 3.399 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@@H](c2cccc(OC)c2)C1 ZINC000328598386 569416203 /nfs/dbraw/zinc/41/62/03/569416203.db2.gz MDPPTWBRUGXDSM-HXUWFJFHSA-N -1 3 401.488 3.154 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccccc1Cl ZINC000008519247 571067755 /nfs/dbraw/zinc/06/77/55/571067755.db2.gz YNMFKCZYICPZSJ-UHFFFAOYSA-N -1 3 411.874 3.493 50 0 HGAAHM Nc1c([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)cnn1Cc1cccnc1 ZINC000008726392 571108422 /nfs/dbraw/zinc/10/84/22/571108422.db2.gz IFQGGRKSAOOEDW-KRWDZBQOSA-N -1 3 405.405 3.317 50 0 HGAAHM COc1ccc(OC)c(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)c1 ZINC000008823264 571121577 /nfs/dbraw/zinc/12/15/77/571121577.db2.gz XEMUOHQFPVGXEV-UHFFFAOYSA-N -1 3 420.472 3.131 50 0 HGAAHM O=C(c1ccc(F)cc1)N1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1 ZINC000040071356 571152035 /nfs/dbraw/zinc/15/20/35/571152035.db2.gz JBORAYVYWKRDCX-UHFFFAOYSA-N -1 3 403.508 3.224 50 0 HGAAHM Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040111171 571169472 /nfs/dbraw/zinc/16/94/72/571169472.db2.gz QTVKQPZZOKNOOB-LJQANCHMSA-N -1 3 412.496 3.487 50 0 HGAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2Cl)C1=O)c1ccccc1 ZINC000008969865 571194442 /nfs/dbraw/zinc/19/44/42/571194442.db2.gz NMNUSQRCRDZBKG-QGZVFWFLSA-N -1 3 411.767 3.285 50 0 HGAAHM COc1cccc2cc(-c3nnc([N-]C(=O)c4cccc(S(C)(=O)=O)c4)o3)oc21 ZINC000009167586 571233216 /nfs/dbraw/zinc/23/32/16/571233216.db2.gz NYKMAMPEEAPFQO-UHFFFAOYSA-N -1 3 413.411 3.147 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 ZINC000009217575 571237746 /nfs/dbraw/zinc/23/77/46/571237746.db2.gz GMXHHYIQIYIBAP-OAHLLOKOSA-N -1 3 405.303 3.206 50 0 HGAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N(C)c1ccccc1 ZINC000009377666 571253224 /nfs/dbraw/zinc/25/32/24/571253224.db2.gz VKYWYAXXQYYMTR-CQSZACIVSA-N -1 3 405.483 3.252 50 0 HGAAHM O=S(=O)([N-]CCc1csc2nc(-c3ccccc3F)nn12)c1ccccc1F ZINC000009569573 571268648 /nfs/dbraw/zinc/26/86/48/571268648.db2.gz KQHMGPPGHCDTRX-UHFFFAOYSA-N -1 3 420.466 3.257 50 0 HGAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1Cl ZINC000009944283 571291105 /nfs/dbraw/zinc/29/11/05/571291105.db2.gz XOIMEYIJGRMJPO-UHFFFAOYSA-N -1 3 420.270 3.355 50 0 HGAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cc(C)c(N(C)S(C)(=O)=O)c1C ZINC000010233948 571297824 /nfs/dbraw/zinc/29/78/24/571297824.db2.gz VZHHQFQKAMCUEN-UHFFFAOYSA-N -1 3 410.561 3.425 50 0 HGAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1C ZINC000005136849 132303067 /nfs/dbraw/zinc/30/30/67/132303067.db2.gz OEPGCHQKBHCJML-UHFFFAOYSA-N -1 3 408.545 3.125 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1 ZINC000005144818 132303172 /nfs/dbraw/zinc/30/31/72/132303172.db2.gz RDHCMQBUYUHUHK-UHFFFAOYSA-N -1 3 423.542 3.005 50 0 HGAAHM CCc1ccc(NC(=O)[C@@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000032865318 523988410 /nfs/dbraw/zinc/98/84/10/523988410.db2.gz JDKIYOUHDUCKDS-OAHLLOKOSA-N -1 3 421.588 3.080 50 0 HGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 ZINC000032685342 525216437 /nfs/dbraw/zinc/21/64/37/525216437.db2.gz AGXZCPKHCFCGDH-UHFFFAOYSA-N -1 3 415.446 3.315 50 0 HGAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)Cc1ccsc1 ZINC000032748207 525574933 /nfs/dbraw/zinc/57/49/33/525574933.db2.gz BXKHWSQZUVIOTC-SNVBAGLBSA-N -1 3 407.344 3.380 50 0 HGAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)c1C ZINC000032935275 525675473 /nfs/dbraw/zinc/67/54/73/525675473.db2.gz KLJIOVRPTZWSIP-OAQYLSRUSA-N -1 3 415.515 3.084 50 0 HGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 ZINC000000667693 557046889 /nfs/dbraw/zinc/04/68/89/557046889.db2.gz FHTAZRPSFMFFCX-UHFFFAOYSA-N -1 3 418.515 3.324 50 0 HGAAHM C[C@@H](c1ccccc1)n1c(=O)[n-]nc1SCCS(=O)(=O)c1ccc(F)cc1 ZINC000001033880 557148753 /nfs/dbraw/zinc/14/87/53/557148753.db2.gz BHMIHJAEQAEVKK-ZDUSSCGKSA-N -1 3 407.492 3.298 50 0 HGAAHM Cc1ccc(NC(=S)NC(=O)c2ccccc2I)c([O-])c1 ZINC000001183454 557232357 /nfs/dbraw/zinc/23/23/57/557232357.db2.gz NDIFFOSPDQUKJH-UHFFFAOYSA-N -1 3 412.252 3.432 50 0 HGAAHM COC(=O)c1cn([N-]C(=O)COc2ccc(Cl)cc2Cl)c(=O)c2ccccc12 ZINC000003630746 557495216 /nfs/dbraw/zinc/49/52/16/557495216.db2.gz NCUXQORSFYBXJY-UHFFFAOYSA-N -1 3 421.236 3.244 50 0 HGAAHM C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)[N-]C1=NCCS1 ZINC000009096498 557823736 /nfs/dbraw/zinc/82/37/36/557823736.db2.gz VEQBFFICTHGIOX-CYBMUJFWSA-N -1 3 410.528 3.029 50 0 HGAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccccc2)CC1 ZINC000022853452 557840182 /nfs/dbraw/zinc/84/01/82/557840182.db2.gz GJQHTKMMZXBUHY-QGZVFWFLSA-N -1 3 414.531 3.423 50 0 HGAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)NCc1ccc(F)cc1 ZINC000004328660 558260549 /nfs/dbraw/zinc/26/05/49/558260549.db2.gz MCSOEZITTQAPKG-UHFFFAOYSA-N -1 3 408.505 3.400 50 0 HGAAHM CC(C)Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)[n-]c(=O)n1 ZINC000012612412 558438926 /nfs/dbraw/zinc/43/89/26/558438926.db2.gz UAMCZVYTFOXKEW-KRWDZBQOSA-N -1 3 402.926 3.016 50 0 HGAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)NCc1ccccc1Cl ZINC000012798441 558470446 /nfs/dbraw/zinc/47/04/46/558470446.db2.gz WMQLTJUSBPDWOI-UHFFFAOYSA-N -1 3 401.894 3.013 50 0 HGAAHM COc1cc(Cl)c(C)cc1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000012800702 558471660 /nfs/dbraw/zinc/47/16/60/558471660.db2.gz POSZNAWKRVGMLN-UHFFFAOYSA-N -1 3 400.859 3.103 50 0 HGAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1ccccc1C(F)(F)F ZINC000022358793 558483027 /nfs/dbraw/zinc/48/30/27/558483027.db2.gz OKKKSDQCNVDAGV-UHFFFAOYSA-N -1 3 414.449 3.016 50 0 HGAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022469068 558491420 /nfs/dbraw/zinc/49/14/20/558491420.db2.gz KKUJEQNZWKPCRN-CQSZACIVSA-N -1 3 418.443 3.011 50 0 HGAAHM Cc1cc2ncc(C(=O)[N-]n3cnc4scc(-c5ccccc5)c4c3=O)c(C)n2n1 ZINC000012976082 558491573 /nfs/dbraw/zinc/49/15/73/558491573.db2.gz HUZNXOTVHAPRML-UHFFFAOYSA-N -1 3 416.466 3.168 50 0 HGAAHM O=C(c1ccco1)N1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000013117519 558516450 /nfs/dbraw/zinc/51/64/50/558516450.db2.gz HRGHYIYMRXWUNG-UHFFFAOYSA-N -1 3 420.494 3.203 50 0 HGAAHM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cn1 ZINC000023143458 558537797 /nfs/dbraw/zinc/53/77/97/558537797.db2.gz ZRMMQFZZWXKIFK-UHFFFAOYSA-N -1 3 416.286 3.090 50 0 HGAAHM COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000023710875 558569919 /nfs/dbraw/zinc/56/99/19/558569919.db2.gz YYGCKNMQSCITNK-UHFFFAOYSA-N -1 3 402.394 3.097 50 0 HGAAHM Cc1cnc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cn1 ZINC000023988525 558583522 /nfs/dbraw/zinc/58/35/22/558583522.db2.gz QVXKLLUDKACMRY-UHFFFAOYSA-N -1 3 400.435 3.286 50 0 HGAAHM COc1ccc(NC(=O)c2cnn(C)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000014843154 558674501 /nfs/dbraw/zinc/67/45/01/558674501.db2.gz NOVIXJNRFBAGIL-UHFFFAOYSA-N -1 3 420.878 3.135 50 0 HGAAHM COc1ccc(-c2noc(CCCCCNC(=O)c3ccc4n[n-]nc4c3)n2)cc1 ZINC000028813874 558704976 /nfs/dbraw/zinc/70/49/76/558704976.db2.gz XNNSUKRJTRNTKA-UHFFFAOYSA-N -1 3 406.446 3.159 50 0 HGAAHM Cc1nc(-c2cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3c(C)noc3C)c2)cs1 ZINC000030020203 558726085 /nfs/dbraw/zinc/72/60/85/558726085.db2.gz FWZNDGMPXGKQBG-NSHDSACASA-N -1 3 420.516 3.029 50 0 HGAAHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(OC)cc23)c(Cl)c1 ZINC000072307369 558767386 /nfs/dbraw/zinc/76/73/86/558767386.db2.gz LTWKYPYGLRATTQ-UHFFFAOYSA-N -1 3 422.890 3.138 50 0 HGAAHM COc1cccc(N2CCN(Cc3cc(Br)c([O-])c(OC)c3)CC2)c1 ZINC000055291827 558781914 /nfs/dbraw/zinc/78/19/14/558781914.db2.gz IRWSQXFJADLKGQ-UHFFFAOYSA-N -1 3 407.308 3.494 50 0 HGAAHM CCN1CCN(c2ncc(-c3cc(=O)[n-]c(Nc4ccc(C)c(C)c4)n3)c(C)n2)CC1 ZINC000036235733 558798421 /nfs/dbraw/zinc/79/84/21/558798421.db2.gz QSMSMHMEAOCGJK-UHFFFAOYSA-N -1 3 419.533 3.038 50 0 HGAAHM CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=O)c3ccccc31)CSCC2 ZINC000016721635 558802002 /nfs/dbraw/zinc/80/20/02/558802002.db2.gz OMLUSLYGDIGVTN-NTEUORMPSA-N -1 3 414.508 3.437 50 0 HGAAHM CN1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)[C@@H]2C1 ZINC000017028916 558812394 /nfs/dbraw/zinc/81/23/94/558812394.db2.gz HJSFJQDWUUWQDX-AVRDEDQJSA-N -1 3 424.888 3.126 50 0 HGAAHM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Br)ccc1[O-] ZINC000072314348 558845381 /nfs/dbraw/zinc/84/53/81/558845381.db2.gz PKBCZDWMNIOZSI-KRWDZBQOSA-N -1 3 416.275 3.322 50 0 HGAAHM O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000019148837 558847008 /nfs/dbraw/zinc/84/70/08/558847008.db2.gz GABIVWRTHQRHRT-GOSISDBHSA-N -1 3 408.951 3.377 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000033122771 558879341 /nfs/dbraw/zinc/87/93/41/558879341.db2.gz SBTZXTQAIWPTRV-UHFFFAOYSA-N -1 3 419.459 3.191 50 0 HGAAHM COC(=O)[C@]([N-]c1ccccc1OC)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F ZINC000004624692 558888423 /nfs/dbraw/zinc/88/84/23/558888423.db2.gz HFVNWOHSPMYABY-GOSISDBHSA-N -1 3 415.364 3.461 50 0 HGAAHM CCCCOCCCNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700650 558912114 /nfs/dbraw/zinc/91/21/14/558912114.db2.gz KRCIRJTVOOOQLS-HXUWFJFHSA-N -1 3 402.466 3.043 50 0 HGAAHM O=S(=O)([N-]c1ccc(-n2nncc2C(F)(F)F)cc1)c1ccc2c(c1)CCO2 ZINC000058263825 558915334 /nfs/dbraw/zinc/91/53/34/558915334.db2.gz MRLCQUQPUAOEKA-UHFFFAOYSA-N -1 3 410.377 3.022 50 0 HGAAHM COc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)C(C)C)c1 ZINC000097105761 558993978 /nfs/dbraw/zinc/99/39/78/558993978.db2.gz IJDQFPWCDWONOB-HXUWFJFHSA-N -1 3 415.515 3.400 50 0 HGAAHM COc1cc2[n-]cc(C(=O)N(C)[C@H]3CCCN(c4ccccc4)C3)c(=O)c2cc1OC ZINC000097109067 558995176 /nfs/dbraw/zinc/99/51/76/558995176.db2.gz DXQRGGPPNBUSBX-KRWDZBQOSA-N -1 3 421.497 3.286 50 0 HGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccc4[nH]ccc4c2)C3)cc1 ZINC000097125757 558995960 /nfs/dbraw/zinc/99/59/60/558995960.db2.gz XFWWLAVILWTJQB-UHFFFAOYSA-N -1 3 400.438 3.125 50 0 HGAAHM Cc1c2cc(C)cc(CNC(=O)CC[C@H]3NC(=O)[N-]C3=O)c2[nH]c1-c1ccccc1 ZINC000077456843 559005955 /nfs/dbraw/zinc/00/59/55/559005955.db2.gz RGUIJJPCZMBMTE-GOSISDBHSA-N -1 3 404.470 3.056 50 0 HGAAHM C[C@@H]1CN(C(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)CCO1 ZINC000011502581 559078861 /nfs/dbraw/zinc/07/88/61/559078861.db2.gz GKVNGEXNSBVREU-GFCCVEGCSA-N -1 3 412.870 3.141 50 0 HGAAHM O=c1nc(CN2CCN(c3ccccn3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000084564661 559154424 /nfs/dbraw/zinc/15/44/24/559154424.db2.gz MPOYOOJFBCOASW-UHFFFAOYSA-N -1 3 403.511 3.369 50 0 HGAAHM Cc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000004880360 559196303 /nfs/dbraw/zinc/19/63/03/559196303.db2.gz CPAPEGIJXINJOM-UHFFFAOYSA-N -1 3 403.323 3.126 50 0 HGAAHM COc1ccc(C)cc1NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cccs1 ZINC000004909138 559201250 /nfs/dbraw/zinc/20/12/50/559201250.db2.gz IONXQEVDJODSBB-ZDUSSCGKSA-N -1 3 414.574 3.104 50 0 HGAAHM CSCc1nc(=O)c2c(C)c(C(=O)NCCOc3ccc(C)cc3)sc2[n-]1 ZINC000005266098 560553602 /nfs/dbraw/zinc/55/36/02/560553602.db2.gz GQNIRIVHLQMANS-UHFFFAOYSA-N -1 3 403.529 3.273 50 0 HGAAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c(OC)c1 ZINC000101254056 560789734 /nfs/dbraw/zinc/78/97/34/560789734.db2.gz BLVGVUYRANKNAF-WBVHZDCISA-N -1 3 421.236 3.303 50 0 HGAAHM CCOc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(C)cc3)[n-]c2n1 ZINC000101796136 560801475 /nfs/dbraw/zinc/80/14/75/560801475.db2.gz UTSDFSIHDKHUBK-UHFFFAOYSA-N -1 3 404.474 3.349 50 0 HGAAHM COc1cccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)c1 ZINC000101796248 560801485 /nfs/dbraw/zinc/80/14/85/560801485.db2.gz HLMKNMGKGLOZCX-UHFFFAOYSA-N -1 3 410.865 3.304 50 0 HGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000102704805 560820511 /nfs/dbraw/zinc/82/05/11/560820511.db2.gz CSAGVHLTZREPBO-BHDDXSALSA-N -1 3 416.433 3.452 50 0 HGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000051316703 560856579 /nfs/dbraw/zinc/85/65/79/560856579.db2.gz LGDKJZNKBVFQOG-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000051316703 560856580 /nfs/dbraw/zinc/85/65/80/560856580.db2.gz LGDKJZNKBVFQOG-UHFFFAOYSA-N -1 3 413.409 3.118 50 0 HGAAHM O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1ccncc1 ZINC000195406921 560884249 /nfs/dbraw/zinc/88/42/49/560884249.db2.gz VGQINDZVVIKUPU-CWBXHPNXSA-N -1 3 423.472 3.465 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000046074108 568426808 /nfs/dbraw/zinc/42/68/08/568426808.db2.gz AMKNBYIERCBKCN-SNVBAGLBSA-N -1 3 406.895 3.298 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(CC)cc1)CC(=O)N2 ZINC000046074235 568426839 /nfs/dbraw/zinc/42/68/39/568426839.db2.gz OWBMQNWEXNSNAQ-AWEZNQCLSA-N -1 3 400.504 3.289 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075778 568426986 /nfs/dbraw/zinc/42/69/86/568426986.db2.gz GOQSIYPUSPFKNN-JTQLQIEISA-N -1 3 408.430 3.005 50 0 HGAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CO)c2)cc1 ZINC000095349460 568600404 /nfs/dbraw/zinc/60/04/04/568600404.db2.gz VFGGKRWFRXHTAW-INIZCTEOSA-N -1 3 404.532 3.249 50 0 HGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1F ZINC000020895510 568648895 /nfs/dbraw/zinc/64/88/95/568648895.db2.gz MTPKCPCYJUSCAM-LJQANCHMSA-N -1 3 417.462 3.414 50 0 HGAAHM Cc1cccc(N(C)S(=O)(=O)c2nnc([N-]C(=O)c3ccccc3F)s2)c1 ZINC000020902175 568650086 /nfs/dbraw/zinc/65/00/86/568650086.db2.gz PLRKWIWBBKFTBY-UHFFFAOYSA-N -1 3 406.464 3.063 50 0 HGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000096118376 568698197 /nfs/dbraw/zinc/69/81/97/568698197.db2.gz MNAJJNJFJIXQKX-INIZCTEOSA-N -1 3 405.501 3.160 50 0 HGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1O ZINC000096232203 568708013 /nfs/dbraw/zinc/70/80/13/568708013.db2.gz CLHUUXOTLYYHHH-SJKOYZFVSA-N -1 3 419.503 3.208 50 0 HGAAHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]OCc2ccccc2)c(Cl)cc1Cl ZINC000002789577 568809135 /nfs/dbraw/zinc/80/91/35/568809135.db2.gz HUHVBMUDXRQQSK-UHFFFAOYSA-N -1 3 403.287 3.105 50 0 HGAAHM CCN1CCC(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000012532661 568844584 /nfs/dbraw/zinc/84/45/84/568844584.db2.gz WJFSDXPABVGFEW-UHFFFAOYSA-N -1 3 411.531 3.327 50 0 HGAAHM CCCNc1nnc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000012548575 568851571 /nfs/dbraw/zinc/85/15/71/568851571.db2.gz DTTSMVYKTSNCDA-JTQLQIEISA-N -1 3 400.551 3.095 50 0 HGAAHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1cccc(F)c1 ZINC000003219621 568863216 /nfs/dbraw/zinc/86/32/16/568863216.db2.gz DSGUTHSHTCQMCE-OAHLLOKOSA-N -1 3 422.507 3.162 50 0 HGAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NC(=O)NCc1ccco1 ZINC000003469227 568907453 /nfs/dbraw/zinc/90/74/53/568907453.db2.gz IXPUGIDBBPYQPN-UHFFFAOYSA-N -1 3 407.452 3.132 50 0 HGAAHM O=C(Nc1nncs1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000012741093 568929195 /nfs/dbraw/zinc/92/91/95/568929195.db2.gz BYKYNQXXUFEDCR-UHFFFAOYSA-N -1 3 412.855 3.384 50 0 HGAAHM COc1cc(CN2C(=O)N(C(C)C)[C@@H](N([O-])C(=O)NC(C)C)C2(C)C)cc(OC)c1 ZINC000003985294 568931272 /nfs/dbraw/zinc/93/12/72/568931272.db2.gz OWIQHGURPOGCAH-SFHVURJKSA-N -1 3 422.526 3.264 50 0 biogenic HGAAHM C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012745450 568931258 /nfs/dbraw/zinc/93/12/58/568931258.db2.gz VCMIGJCZJVKNRF-JTQLQIEISA-N -1 3 422.304 3.173 50 0 HGAAHM CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012757635 568943324 /nfs/dbraw/zinc/94/33/24/568943324.db2.gz MWCIOPMTCAALIF-UHFFFAOYSA-N -1 3 409.530 3.480 50 0 HGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccnc2)cc1 ZINC000004247720 568953640 /nfs/dbraw/zinc/95/36/40/568953640.db2.gz PWQSEFAZOVLDGP-YPAWHYETSA-N -1 3 415.449 3.450 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000007986600 568964922 /nfs/dbraw/zinc/96/49/22/568964922.db2.gz NNPDITMUQOSOIH-BXWFABGCSA-N -1 3 408.376 3.141 50 0 HGAAHM NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000035286874 569017548 /nfs/dbraw/zinc/01/75/48/569017548.db2.gz NYKCGQPPVNSSHD-OAHLLOKOSA-N -1 3 422.535 3.125 50 0 HGAAHM CCn1cnc2cc(-c3noc([C@@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000035453382 569037690 /nfs/dbraw/zinc/03/76/90/569037690.db2.gz TWZRDUNJHURJBL-CQSZACIVSA-N -1 3 411.487 3.454 50 0 HGAAHM CSC[C@@](C)(O)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000242100117 569054972 /nfs/dbraw/zinc/05/49/72/569054972.db2.gz WELGKKKNNIEJAS-HNNXBMFYSA-N -1 3 419.728 3.200 50 0 HGAAHM CSC[C@@](C)(O)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000242100117 569054973 /nfs/dbraw/zinc/05/49/73/569054973.db2.gz WELGKKKNNIEJAS-HNNXBMFYSA-N -1 3 419.728 3.200 50 0 HGAAHM Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ncccc3[O-])CC2)c1C ZINC000006590427 569068483 /nfs/dbraw/zinc/06/84/83/569068483.db2.gz HLRLGBLQCOLREF-UHFFFAOYSA-N -1 3 417.531 3.060 50 0 HGAAHM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)cc1 ZINC000006915681 569182180 /nfs/dbraw/zinc/18/21/80/569182180.db2.gz MYMMITLJHRNWRZ-UHFFFAOYSA-N -1 3 405.483 3.432 50 0 HGAAHM CN(C)C(=O)[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000006930417 569183979 /nfs/dbraw/zinc/18/39/79/569183979.db2.gz WCFNGSPYJNETNS-KRWDZBQOSA-N -1 3 405.483 3.443 50 0 HGAAHM O=S(=O)(Cc1noc2ccccc21)[N-]C[C@](O)(c1ccsc1)c1cccs1 ZINC000238871506 569227010 /nfs/dbraw/zinc/22/70/10/569227010.db2.gz NAEFKBQAPQWIPH-SFHVURJKSA-N -1 3 420.537 3.306 50 0 HGAAHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000170630142 569250614 /nfs/dbraw/zinc/25/06/14/569250614.db2.gz PYCZFZNRKKJPOK-LBPRGKRZSA-N -1 3 424.341 3.340 50 0 HGAAHM Cc1cc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)no1 ZINC000002717867 569322441 /nfs/dbraw/zinc/32/24/41/569322441.db2.gz OHYGKNQRWIRLLW-UHFFFAOYSA-N -1 3 416.850 3.202 50 0 HGAAHM CCOC(=O)C(Sc1nc2sc3c(c2c(N)n1)C[C@@](C)(CC)OC3)=C(C)[O-] ZINC000002405095 569396006 /nfs/dbraw/zinc/39/60/06/569396006.db2.gz GNJHQNOXQGXBGD-FZKQIMNGSA-N -1 3 409.533 3.128 50 0 HGAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1)N1CCc2ccccc21 ZINC000008755149 571113319 /nfs/dbraw/zinc/11/33/19/571113319.db2.gz AEBNYKBTJXHMQD-MRXNPFEDSA-N -1 3 420.918 3.000 50 0 HGAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(C(C)C)nc21 ZINC000040063256 571147969 /nfs/dbraw/zinc/14/79/69/571147969.db2.gz NJCWLTAHBATLEC-AWEZNQCLSA-N -1 3 406.486 3.210 50 0 HGAAHM CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000040111124 571169248 /nfs/dbraw/zinc/16/92/48/571169248.db2.gz KQQINETXMCKTCJ-QFIPXVFZSA-N -1 3 424.457 3.341 50 0 HGAAHM C[C@]1(c2cccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)c2)NC(=O)[N-]C1=O ZINC000040110974 571169258 /nfs/dbraw/zinc/16/92/58/571169258.db2.gz VTEWGLJQMXWDDK-JOCHJYFZSA-N -1 3 422.416 3.107 50 0 HGAAHM C[C@@]1(c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)NC(=O)[N-]C1=O ZINC000040111163 571169490 /nfs/dbraw/zinc/16/94/90/571169490.db2.gz YAQIZFIXQIWYNY-IBGZPJMESA-N -1 3 412.496 3.107 50 0 HGAAHM CCN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(F)cc1 ZINC000009377786 571253177 /nfs/dbraw/zinc/25/31/77/571253177.db2.gz MGENMWNBXKRDMN-UHFFFAOYSA-N -1 3 423.473 3.393 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(OC)cc3)s2)on1 ZINC000009688813 571280195 /nfs/dbraw/zinc/28/01/95/571280195.db2.gz FODDRJPBCRRSPA-UHFFFAOYSA-N -1 3 422.484 3.067 50 0 HGAAHM O=C(Nn1cnc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000010136201 571295477 /nfs/dbraw/zinc/29/54/77/571295477.db2.gz ONRHALGNGRCYNU-UHFFFAOYSA-N -1 3 410.430 3.360 50 0 HGAAHM CNS(=O)(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)ccc1C ZINC000032889308 522271613 /nfs/dbraw/zinc/27/16/13/522271613.db2.gz AVDQKCCAYQYYPR-UHFFFAOYSA-N -1 3 404.879 3.199 50 0 HGAAHM CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1-c1cc(Cl)c([O-])c(OC)c1 ZINC000032668212 523266442 /nfs/dbraw/zinc/26/64/42/523266442.db2.gz FNASFROXLYUIQA-UHFFFAOYSA-N -1 3 409.895 3.341 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000032768459 526555431 /nfs/dbraw/zinc/55/54/31/526555431.db2.gz OQIWYFWAFMNOKT-DZGCQCFKSA-N -1 3 407.536 3.034 50 0 HGAAHM Cc1nc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C ZINC000032859847 526986252 /nfs/dbraw/zinc/98/62/52/526986252.db2.gz PWLRXNFHWQHOMB-SECBINFHSA-N -1 3 407.439 3.084 50 0 HGAAHM COC(=O)c1c([N-]C(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CCCC2 ZINC000000815238 557089335 /nfs/dbraw/zinc/08/93/35/557089335.db2.gz KGBDNIIBNDUADA-UHFFFAOYSA-N -1 3 421.429 3.350 50 0 HGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000001141455 557204478 /nfs/dbraw/zinc/20/44/78/557204478.db2.gz PWISSQAHIUEUPZ-UHFFFAOYSA-N -1 3 403.378 3.448 50 0 HGAAHM COc1ccccc1CC[N-]S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000034739292 557451053 /nfs/dbraw/zinc/45/10/53/557451053.db2.gz QSETTYVGZPLHPP-FGZHOGPDSA-N -1 3 418.559 3.267 50 0 HGAAHM COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000004833748 557604445 /nfs/dbraw/zinc/60/44/45/557604445.db2.gz LECMBOBJABEQBY-JTDSTZFVSA-N -1 3 408.376 3.108 50 0 HGAAHM CSCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1 ZINC000002720220 557747080 /nfs/dbraw/zinc/74/70/80/557747080.db2.gz GKSOCMWXANXKHI-UHFFFAOYSA-N -1 3 418.500 3.010 50 0 HGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cccc(C)c1N(Cc1ccc(C)cc1)C2=O ZINC000008843709 557811787 /nfs/dbraw/zinc/81/17/87/557811787.db2.gz WQOJXKGMFWOWHN-JOCHJYFZSA-N -1 3 422.510 3.005 50 0 HGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccnc2ccccc21 ZINC000071924246 558403473 /nfs/dbraw/zinc/40/34/73/558403473.db2.gz OCDRVUBFBJTHMS-OAQYLSRUSA-N -1 3 408.483 3.304 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]CCc2sc(-c3cccnc3)nc2C)c(F)c1 ZINC000004346954 558427839 /nfs/dbraw/zinc/42/78/39/558427839.db2.gz LGKAVJGBSCFPJU-UHFFFAOYSA-N -1 3 407.492 3.182 50 0 HGAAHM CC(=O)c1sc2[n-]c(CN(C)CC(=O)Nc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000013061843 558509944 /nfs/dbraw/zinc/50/99/44/558509944.db2.gz KZWGTRKQLSITSR-UHFFFAOYSA-N -1 3 418.906 3.220 50 0 HGAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)cc1 ZINC000013070180 558511160 /nfs/dbraw/zinc/51/11/60/558511160.db2.gz MJJYXIHCNDHHLK-INIZCTEOSA-N -1 3 408.907 3.358 50 0 HGAAHM CCOC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2nc(SC)[n-]c(=O)c21 ZINC000013125407 558518308 /nfs/dbraw/zinc/51/83/08/558518308.db2.gz VFAXCFPSTDJQNU-UHFFFAOYSA-N -1 3 407.398 3.485 50 0 HGAAHM Cc1cnc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000023055196 558532405 /nfs/dbraw/zinc/53/24/05/558532405.db2.gz QVQJPGYCKRRDPC-MRXNPFEDSA-N -1 3 419.503 3.119 50 0 HGAAHM CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccco1 ZINC000023081045 558533893 /nfs/dbraw/zinc/53/38/93/558533893.db2.gz RFKJCYBGTFITTB-IBGZPJMESA-N -1 3 413.499 3.113 50 0 HGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)N1 ZINC000013960045 558608391 /nfs/dbraw/zinc/60/83/91/558608391.db2.gz UGVGAZWLAPWEIA-MRXNPFEDSA-N -1 3 416.787 3.354 50 0 HGAAHM Cc1nc(C)c(CCC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000024771846 558612074 /nfs/dbraw/zinc/61/20/74/558612074.db2.gz RTGRTUWYDZKXOU-UHFFFAOYSA-N -1 3 419.407 3.222 50 0 HGAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C)cc(C)c1 ZINC000014226782 558638812 /nfs/dbraw/zinc/63/88/12/558638812.db2.gz NQWFASIYZCSQSO-KRWDZBQOSA-N -1 3 410.536 3.481 50 0 HGAAHM O=C(Nc1cccc2ncccc21)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000014240656 558643465 /nfs/dbraw/zinc/64/34/65/558643465.db2.gz SIHGJAKDZDVVJT-UHFFFAOYSA-N -1 3 409.389 3.328 50 0 HGAAHM Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc([O-])cc1O ZINC000025893363 558651514 /nfs/dbraw/zinc/65/15/14/558651514.db2.gz GCEUQFJLWKAFEQ-UHFFFAOYSA-N -1 3 405.863 3.434 50 0 HGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000029152315 558710978 /nfs/dbraw/zinc/71/09/78/558710978.db2.gz PWCMUDKLZBSYOR-UHFFFAOYSA-N -1 3 420.516 3.030 50 0 HGAAHM C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000072308219 558769123 /nfs/dbraw/zinc/76/91/23/558769123.db2.gz UNSRGGVBAPTYJP-KRWDZBQOSA-N -1 3 403.482 3.330 50 0 HGAAHM O=C(CNC(=O)COc1ccccc1)[N-]c1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000072311544 558787579 /nfs/dbraw/zinc/78/75/79/558787579.db2.gz LCUWEJHJOZRZLY-UHFFFAOYSA-N -1 3 419.359 3.494 50 0 HGAAHM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CN(CC2CC2)C1=O ZINC000035887015 558795752 /nfs/dbraw/zinc/79/57/52/558795752.db2.gz VCKYDGIUHHYRPZ-CYBMUJFWSA-N -1 3 404.463 3.146 50 0 HGAAHM Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2)cc(=O)[n-]1 ZINC000058105691 558899100 /nfs/dbraw/zinc/89/91/00/558899100.db2.gz WNJHGZWWMLQUIW-FQEVSTJZSA-N -1 3 419.485 3.353 50 0 HGAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1OC ZINC000060108266 558941041 /nfs/dbraw/zinc/94/10/41/558941041.db2.gz JDNHFUCWIIGYRM-OAHLLOKOSA-N -1 3 405.476 3.102 50 0 HGAAHM O=c1[n-]c(-c2ccccc2)nc2c1CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2 ZINC000097111312 558995420 /nfs/dbraw/zinc/99/54/20/558995420.db2.gz KEWOUBCWKUDBLG-UHFFFAOYSA-N -1 3 421.522 3.063 50 0 HGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)CSc2ccccc2)C3)cc1 ZINC000097137972 558996542 /nfs/dbraw/zinc/99/65/42/558996542.db2.gz WDUDCPMLNYKMDP-UHFFFAOYSA-N -1 3 407.495 3.123 50 0 HGAAHM O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1cnc(-c2cccs2)[n-]c1=O ZINC000091769613 559073640 /nfs/dbraw/zinc/07/36/40/559073640.db2.gz YIHPRPMJGBZZBH-ZDUSSCGKSA-N -1 3 400.529 3.367 50 0 HGAAHM C[C@H]1CN(C(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)CCO1 ZINC000011502593 559078790 /nfs/dbraw/zinc/07/87/90/559078790.db2.gz GKVNGEXNSBVREU-LBPRGKRZSA-N -1 3 412.870 3.141 50 0 HGAAHM CCNC(=O)N(Cc1ccco1)Cc1nc(C)c(Cc2cccc(OC)c2)c(=O)[n-]1 ZINC000096317891 559109764 /nfs/dbraw/zinc/10/97/64/559109764.db2.gz OIINADNADXJLSF-UHFFFAOYSA-N -1 3 410.474 3.002 50 0 HGAAHM COc1ccccc1CNC(=O)C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000004908950 559201074 /nfs/dbraw/zinc/20/10/74/559201074.db2.gz QHHLWRWNHQXBKD-UHFFFAOYSA-N -1 3 422.572 3.158 50 0 HGAAHM Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011703437 559228914 /nfs/dbraw/zinc/22/89/14/559228914.db2.gz NKLYIGYRBDQPHW-UHFFFAOYSA-N -1 3 412.515 3.133 50 0 HGAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100738643 559260922 /nfs/dbraw/zinc/26/09/22/559260922.db2.gz DFAQYSXEXHQLIA-NVXWUHKLSA-N -1 3 402.237 3.317 50 0 HGAAHM O=C(Nc1ccc([O-])cc1I)c1cc2ccccc2oc1=O ZINC000252508605 559278092 /nfs/dbraw/zinc/27/80/92/559278092.db2.gz XPUVVSPVGSBEEE-UHFFFAOYSA-N -1 3 407.163 3.356 50 0 HGAAHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3c2nc[n-]c3=O)cc1 ZINC000012462129 560212045 /nfs/dbraw/zinc/21/20/45/560212045.db2.gz FGPBTIMXKGYLEE-UHFFFAOYSA-N -1 3 405.483 3.456 50 0 biogenic,in-vitro HGAAHM COc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1 ZINC000005342464 560567873 /nfs/dbraw/zinc/56/78/73/560567873.db2.gz OTDYWNCELKEMRM-FQEVSTJZSA-N -1 3 413.861 3.290 50 0 HGAAHM O=S(=O)([N-]CC[C@H](CCO)c1ccccc1)c1ccc(Br)s1 ZINC000206628147 560605447 /nfs/dbraw/zinc/60/54/47/560605447.db2.gz CUUBQXVLQDLFDX-CYBMUJFWSA-N -1 3 404.351 3.345 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1OC ZINC000101286167 560790716 /nfs/dbraw/zinc/79/07/16/560790716.db2.gz SDEUKQBEQZDDCN-PBHICJAKSA-N -1 3 421.236 3.303 50 0 HGAAHM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(Br)c1 ZINC000101359126 560792559 /nfs/dbraw/zinc/79/25/59/560792559.db2.gz JFBRZAOPWSNAJU-GOEBONIOSA-N -1 3 403.207 3.189 50 0 HGAAHM COc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)cc1 ZINC000101796252 560801473 /nfs/dbraw/zinc/80/14/73/560801473.db2.gz ONPWMCKYWYJKFX-UHFFFAOYSA-N -1 3 410.865 3.304 50 0 HGAAHM CCOc1ccc(NCc2cc(=O)n3nc(NCc4ccc(C)cc4)[n-]c3n2)cc1 ZINC000101796111 560801534 /nfs/dbraw/zinc/80/15/34/560801534.db2.gz AYSRUFRKVFQDDE-UHFFFAOYSA-N -1 3 404.474 3.349 50 0 HGAAHM COc1cccc(C2=NOC3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1OC ZINC000102558966 560817984 /nfs/dbraw/zinc/81/79/84/560817984.db2.gz SDEUKQBEQZDDCN-RHSMWYFYSA-N -1 3 421.236 3.303 50 0 HGAAHM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343130 560886309 /nfs/dbraw/zinc/88/63/09/560886309.db2.gz ZMNPOHDXGBXURI-UHFFFAOYSA-N -1 3 404.478 3.380 50 0 HGAAHM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343130 560886310 /nfs/dbraw/zinc/88/63/10/560886310.db2.gz ZMNPOHDXGBXURI-UHFFFAOYSA-N -1 3 404.478 3.380 50 0 HGAAHM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343130 560886311 /nfs/dbraw/zinc/88/63/11/560886311.db2.gz ZMNPOHDXGBXURI-UHFFFAOYSA-N -1 3 404.478 3.380 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)cc1F)CC(=O)N2 ZINC000046074277 568426833 /nfs/dbraw/zinc/42/68/33/568426833.db2.gz XFIFDSMLOXHTHQ-JTQLQIEISA-N -1 3 408.430 3.005 50 0 HGAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N2 ZINC000046074110 568426872 /nfs/dbraw/zinc/42/68/72/568426872.db2.gz YEUAKURCCREMFJ-NSHDSACASA-N -1 3 406.895 3.298 50 0 HGAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1CC)CC(=O)N2 ZINC000046074232 568426875 /nfs/dbraw/zinc/42/68/75/568426875.db2.gz ZKYXBFBKNCGAOX-CYBMUJFWSA-N -1 3 400.504 3.289 50 0 HGAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074542 568426943 /nfs/dbraw/zinc/42/69/43/568426943.db2.gz IPKMXAQREUOWED-INIZCTEOSA-N -1 3 420.494 3.435 50 0 HGAAHM NC(=O)c1ccsc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000006839611 568461012 /nfs/dbraw/zinc/46/10/12/568461012.db2.gz KAZIORBLOHTKAJ-UHFFFAOYSA-N -1 3 409.493 3.312 50 0 HGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1N ZINC000095944675 568663010 /nfs/dbraw/zinc/66/30/10/568663010.db2.gz KNEPMDSKTOUQJE-KRWDZBQOSA-N -1 3 416.952 3.001 50 0 HGAAHM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998653 568680004 /nfs/dbraw/zinc/68/00/04/568680004.db2.gz UIAZBUDMSBJNIW-HNNXBMFYSA-N -1 3 404.536 3.099 50 0 HGAAHM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)cc1 ZINC000095998653 568680008 /nfs/dbraw/zinc/68/00/08/568680008.db2.gz UIAZBUDMSBJNIW-HNNXBMFYSA-N -1 3 404.536 3.099 50 0 HGAAHM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2C1 ZINC000096096309 568688820 /nfs/dbraw/zinc/68/88/20/568688820.db2.gz QKGWVNFCWFEOMI-UHFFFAOYSA-N -1 3 404.488 3.237 50 0 HGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc1O ZINC000096118319 568697769 /nfs/dbraw/zinc/69/77/69/568697769.db2.gz AQQQLILPLRSATO-MRXNPFEDSA-N -1 3 407.517 3.146 50 0 HGAAHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000241587931 568731524 /nfs/dbraw/zinc/73/15/24/568731524.db2.gz OYFKKZAPHYAAMJ-NSHDSACASA-N -1 3 407.332 3.009 50 0 HGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000096396325 568744860 /nfs/dbraw/zinc/74/48/60/568744860.db2.gz GTTRJTBOVOXPED-MRXNPFEDSA-N -1 3 408.907 3.049 50 0 HGAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Cc2c[nH]c4ccccc24)C3)cc1 ZINC000097161309 568768926 /nfs/dbraw/zinc/76/89/26/568768926.db2.gz ULSOPTIQMQUGJS-UHFFFAOYSA-N -1 3 414.465 3.054 50 0 HGAAHM CCOC(=O)C1CCN([C@H](c2sc3ncnn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022609236 568771645 /nfs/dbraw/zinc/77/16/45/568771645.db2.gz NBSNAAIPIWRFCU-INIZCTEOSA-N -1 3 400.504 3.169 50 0 HGAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C2CCN(c3ncccn3)CC2)c1Cl ZINC000056059009 568785245 /nfs/dbraw/zinc/78/52/45/568785245.db2.gz FSUGGWYPEHWFGE-UHFFFAOYSA-N -1 3 415.346 3.348 50 0 HGAAHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000029512184 568827329 /nfs/dbraw/zinc/82/73/29/568827329.db2.gz VJNGAZATSLEGRJ-UHFFFAOYSA-N -1 3 414.421 3.464 50 0 HGAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)c1C ZINC000012604854 568870872 /nfs/dbraw/zinc/87/08/72/568870872.db2.gz ZCVFVQVVZYAMOY-UHFFFAOYSA-N -1 3 408.545 3.261 50 0 HGAAHM COCCn1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)ccc1=O ZINC000031534413 568927737 /nfs/dbraw/zinc/92/77/37/568927737.db2.gz XRZCZBAKMPTFTK-UHFFFAOYSA-N -1 3 405.303 3.219 50 0 HGAAHM Cc1ccc(C)c(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccccc2)c1 ZINC000004061339 568937072 /nfs/dbraw/zinc/93/70/72/568937072.db2.gz INOBZCFNDLGEHM-UHFFFAOYSA-N -1 3 419.510 3.144 50 0 HGAAHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012749589 568937569 /nfs/dbraw/zinc/93/75/69/568937569.db2.gz XZRLSWCFCINYFW-UHFFFAOYSA-N -1 3 410.421 3.464 50 0 HGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000012755188 568942661 /nfs/dbraw/zinc/94/26/61/568942661.db2.gz LITPLVCDTIKKFZ-GJZGRUSLSA-N -1 3 406.479 3.184 50 0 HGAAHM Cc1c([O-])ccc2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc(=O)oc12 ZINC000015543597 568947672 /nfs/dbraw/zinc/94/76/72/568947672.db2.gz MNFYFBAFTIEIML-UHFFFAOYSA-N -1 3 406.482 3.335 50 0 HGAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000012779618 568956724 /nfs/dbraw/zinc/95/67/24/568956724.db2.gz JAKQYPBBYUGIPW-UHFFFAOYSA-N -1 3 407.565 3.001 50 0 HGAAHM O=C(NCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000008289908 568987899 /nfs/dbraw/zinc/98/78/99/568987899.db2.gz WJKYUICEELXSLI-UHFFFAOYSA-N -1 3 415.902 3.144 50 0 HGAAHM COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000008314040 568989619 /nfs/dbraw/zinc/98/96/19/568989619.db2.gz JAFJJWBOTZCNHZ-UHFFFAOYSA-N -1 3 403.382 3.180 50 0 HGAAHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccn2)c(Cl)cc1Cl ZINC000012382651 568990479 /nfs/dbraw/zinc/99/04/79/568990479.db2.gz VZCXRJAIMYQNDW-UHFFFAOYSA-N -1 3 402.303 3.005 50 0 HGAAHM COc1cccc(CN2CCN(Cc3cc(Cl)c([O-])c(OC)c3)C[C@H]2CCO)c1 ZINC000104376807 569008444 /nfs/dbraw/zinc/00/84/44/569008444.db2.gz ATLMWHOQTSNIKE-GOSISDBHSA-N -1 3 420.937 3.132 50 0 HGAAHM CCN1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000035264432 569015653 /nfs/dbraw/zinc/01/56/53/569015653.db2.gz UIUZCGXANACBJT-UHFFFAOYSA-N -1 3 421.950 3.355 50 0 HGAAHM COc1ccc(CCS(=O)(=O)[N-]CC(O)(c2cccs2)c2cccs2)cc1 ZINC000090617462 569042933 /nfs/dbraw/zinc/04/29/33/569042933.db2.gz UECLEAARHVOFHH-UHFFFAOYSA-N -1 3 423.581 3.216 50 0 HGAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000036359900 569151766 /nfs/dbraw/zinc/15/17/66/569151766.db2.gz ORGMCLRBZFZGOY-OAQYLSRUSA-N -1 3 421.501 3.105 50 0 HGAAHM CCCOc1ccc(C(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000006981086 569195683 /nfs/dbraw/zinc/19/56/83/569195683.db2.gz DOBMDOFGSYKEPA-CQSZACIVSA-N -1 3 405.472 3.275 50 0 HGAAHM Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000007026472 569201657 /nfs/dbraw/zinc/20/16/57/569201657.db2.gz NXTPJLWZXZFUCM-LLVKDONJSA-N -1 3 407.473 3.373 50 0 HGAAHM CC[C@H](CC[N-]S(=O)(=O)c1cn(C(F)F)nc1C)n1ccc(C(F)(F)F)n1 ZINC000036615153 569206925 /nfs/dbraw/zinc/20/69/25/569206925.db2.gz LVGSHGRNRPZMJG-SNVBAGLBSA-N -1 3 415.388 3.122 50 0 HGAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000014371082 569259686 /nfs/dbraw/zinc/25/96/86/569259686.db2.gz PWBASBSGFJNIFX-UHFFFAOYSA-N -1 3 421.404 3.012 50 0 HGAAHM O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000089769838 569263670 /nfs/dbraw/zinc/26/36/70/569263670.db2.gz SURRIPMAGIGKGT-UHFFFAOYSA-N -1 3 415.418 3.352 50 0 HGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)NCc1ccc(F)cc1 ZINC000012700595 569402800 /nfs/dbraw/zinc/40/28/00/569402800.db2.gz CQKSOGUFHMEAGW-UHFFFAOYSA-N -1 3 409.446 3.069 50 0 HGAAHM Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCc2nc3ccsc3c(=O)[n-]2)cc1 ZINC000013021012 569407379 /nfs/dbraw/zinc/40/73/79/569407379.db2.gz OSODSIKWJHLTIO-LBPRGKRZSA-N -1 3 417.512 3.097 50 0 HGAAHM COc1cccc2sc([N-]C(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)nc21 ZINC000040131064 571183339 /nfs/dbraw/zinc/18/33/39/571183339.db2.gz UIJFYRYFNGRTER-UHFFFAOYSA-N -1 3 421.500 3.243 50 0 HGAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3ccccc3=O)cc2)cc1OC ZINC000040135025 571188040 /nfs/dbraw/zinc/18/80/40/571188040.db2.gz CCRDFCMCRQOBBT-UHFFFAOYSA-N -1 3 414.483 3.023 50 0 HGAAHM C[C@H](Oc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cn1)c1ccccc1 ZINC000040143672 571194182 /nfs/dbraw/zinc/19/41/82/571194182.db2.gz FBXABZKAASHUFF-HNNXBMFYSA-N -1 3 408.458 3.121 50 0 HGAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1C ZINC000009043522 571215198 /nfs/dbraw/zinc/21/51/98/571215198.db2.gz OFPYRGDDWSJYRC-KRWDZBQOSA-N -1 3 405.454 3.448 50 0 HGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009170210 571233624 /nfs/dbraw/zinc/23/36/24/571233624.db2.gz UAXCJTHLIYWJSJ-UHFFFAOYSA-N -1 3 404.488 3.186 50 0 HGAAHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)NC1CCCCC1 ZINC000009226050 571239066 /nfs/dbraw/zinc/23/90/66/571239066.db2.gz AAQPSZHRLODREE-UHFFFAOYSA-N -1 3 411.325 3.481 50 0 HGAAHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)NC1CCCCC1 ZINC000009226050 571239068 /nfs/dbraw/zinc/23/90/68/571239068.db2.gz AAQPSZHRLODREE-UHFFFAOYSA-N -1 3 411.325 3.481 50 0 HGAAHM CC1CCN(C(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)CC1 ZINC000009295428 571245841 /nfs/dbraw/zinc/24/58/41/571245841.db2.gz JWSTZPJTQFFZFD-UHFFFAOYSA-N -1 3 411.325 3.290 50 0 HGAAHM CC1CCN(C(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)CC1 ZINC000009295428 571245843 /nfs/dbraw/zinc/24/58/43/571245843.db2.gz JWSTZPJTQFFZFD-UHFFFAOYSA-N -1 3 411.325 3.290 50 0 HGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1COC(C)=O ZINC000070004332 571253586 /nfs/dbraw/zinc/25/35/86/571253586.db2.gz DHFHBGPNGOXBRE-UHFFFAOYSA-N -1 3 421.471 3.111 50 0 HGAAHM CC[C@@H](C)c1ccc(NC(=O)COC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000009812416 571286076 /nfs/dbraw/zinc/28/60/76/571286076.db2.gz NBEDSEDJXUXXHY-CQSZACIVSA-N -1 3 424.544 3.112 50 0 HGAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2ccc(F)cc2Br)c1 ZINC000010123694 571295333 /nfs/dbraw/zinc/29/53/33/571295333.db2.gz JNFZFLUYWVHXSW-UHFFFAOYSA-N -1 3 402.241 3.317 50 0 HGAAHM